0 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.148 C#CCCCCCCCN(C)C 2230a_100102631434_100153394163 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.148 C#CCCCCCCCN(C)C 269982a_100102631434_100153394163 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.148 C#CCCCCCNCC(=O)N 2230a_100000711301_100012094781 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.148 C#CCCCCCOCC(=C)C 34a_100000210245_100012094781 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 C#CCCCCCOCC(=C)C 34a_100000766912_100000748629 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.148 C#CCCCCCOCC(=C)C 7a_100000766912_100000748629 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.148 C#CCCCCCOCC(=O)N 34a_100000766912_100000187820 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.148 C#CCCCCCOCC(=O)N 7a_100000766912_100000187820 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.148 C#CCCCCCOCC(=O)[O-] 34a_100000766912_100020667443 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.148 C#CCCCCCSCC(=C)C 62a_100000748629_100012094781 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.148 C#CCCCCCSCC(=C)C 62a_100012094781_100000211660 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.148 C#CCCCCCSCC(=O)N 62a_100000747473_100012094781 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.148 C#CCCCCCSCC(=O)N 62a_100012094781_100000747473 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100012094781_100020667443 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100020667443_100012094781 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.148 C#CCCCCNCCC(=C)C 2230a_100000706060_100000730704 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.148 C#CCCCCNCCC(=C)C 34a_100000706060_100000730704 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 C#CCCCCNCCC(=O)N 2230a_100000706060_100000744528 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.148 C#CCCCCNCCC(=O)N 34a_100000706060_100000731001 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.148 C#CCCCCNCOC(=O)C 34a_100000706060_100009813279 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.148 C#CCCCCOCCC(=C)C 34a_100000764851_100010269958 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.148 C#CCCCCOCCC(=C)C 34a_100000766709_100000730704 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.148 C#CCCCCOCCC(=C)C 7a_100000766709_100000730704 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,0,0,0,0,0|1,0,2]=3 29 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,0,0,0,0,0|1,0,2]=3 30 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,0,0,0,0,0|1,0,2]=3 31 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000757172_100010269958 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000766709_100000731001 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000757172_100010269958 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000766709_100000744528 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 C#CCCCCOCOC(=O)C 34a_100000766709_100009813279 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 C#CCCCCSCCC(=C)C 62a_100000730704_100010269958 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.148 C#CCCCCSCCC(=C)C 62a_100010269958_100000730704 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,0,0,0,0,0|1,0,2]=3 40 B11R0.148 C#CCCCCSCCC(=O)N 62a_100000744528_100010269958 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.148 C#CCCCCSCCC(=O)N 62a_100010269958_100000744528 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.148 C#CCCCCSCOC(=O)C 62a_100000076356_100010269958 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.148 C#CCCCCSCOC(=O)C 62a_100010269958_100000076356 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,0,0,0,0,0|1,0,2]=3 45 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000718082_100102525003 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000739312_100000695029 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.148 C#CCCCNCCCS(=O)C 2230a_200000753449_100000731252 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.148 C#CCCCNCCNC(=O)C 2230a_100000209853_100000731252 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.148 C#CCCCNCCOC(=O)C 34a_100000718082_100009814007 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,0,0,0,0,0|1,0,2]=3 51 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,0,0,0,0,0|1,0,2]=3 52 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,0,0,0,0,0|1,0,2]=3 53 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,0,0,0,0,0|1,0,2]=3 54 B11R0.148 C#CCCCOCCCC(=O)N 34a_100000215630_100102525003 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.148 C#CCCCOCCCC(=O)N 7a_100000215630_100102525003 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.148 C#CCCCOCCNC(=O)C 34a_100000158858_100000695029 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.148 C#CCCCOCCNC(=O)C 7a_100000215630_100000189650 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.148 C#CCCCOCCOC(=O)C 34a_100000215630_100009814007 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.148 C#CCCCOCCOC(=O)C 7a_100000215630_100009814007 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,0,0,0,0,0|1,0,2]=3 61 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,0,0,0,0,0|1,0,2]=3 62 B11R0.148 C#CCCCSCCCC(=O)N 62a_100011215417_100102525003 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.148 C#CCCCSCCCC(=O)N 62a_100102525003_100011215417 [0,0,0,0,0,0|2,0,2]=4 64 B11R0.148 C#CCCCSCCNC(=O)C 62a_100000189650_100011215417 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.148 C#CCCCSCCNC(=O)C 62a_100011215417_100000189650 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.148 C#CCCCSCCOC(=O)C 62a_100009814007_100011215417 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.148 C#CCCCSCCOC(=O)C 62a_100011215417_100009814007 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,0,0,0,0,0|1,0,2]=3 69 B11R0.148 C#CCCNCCCCC(=O)N 34a_100000696515_100000688953 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.148 C#CCCNCCCNC(=O)C 34a_100000736810_100000688953 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.148 C#CCCNCCCOC(=O)C 34a_100000755551_100000042594 [0,0,0,0,0,0|2,0,2]=4 72 B11R0.148 C#CCCNCCCSC(=O)C 34a_100000755551_100000038929 [0,0,0,0,0,0|2,0,2]=4 73 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,0,0,0,0,0|1,0,2]=3 74 B11R0.148 C#CCCOCCCCC(=O)N 34a_100012022536_100000688953 [0,0,0,0,0,0|2,0,2]=4 75 B11R0.148 C#CCCOCCCCC(=O)N 7a_100012022536_100000688953 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.148 C#CCCOCCCNC(=O)C 34a_100000752032_100000688953 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.148 C#CCCOCCCOC(=O)C 34a_100011215631_100000042594 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.148 C#CCCOCCCSC(=O)C 34a_100011215631_100000038929 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,0,0,0,0,0|1,0,2]=3 80 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,0,0,0,0,0|1,0,2]=3 81 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000042594_100000688953 [0,0,0,0,0,0|2,0,2]=4 82 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000688953_100000042594 [0,0,0,0,0,0|2,0,2]=4 83 B11R0.148 C#CCCSCCCSC(=O)C 62a_100000038929_100000688953 [0,0,0,0,0,0|2,0,2]=4 84 B11R0.148 C#CCCSCCCSC(=O)C 62a_100000688953_100000038929 [0,0,0,0,0,0|2,0,2]=4 85 B11R0.148 C#CCNCCCCCC(=O)N 34a_100000212058_100009817443 [0,0,0,0,0,0|2,0,2]=4 86 B11R0.148 C#CCNCCCCNC(=O)C 2230a_200011368371_100000038162 [0,0,0,0,0,0|2,0,2]=4 87 B11R0.148 C#CCNCCCCNC(=O)C 34a_200011368371_100000184674 [0,0,0,0,0,0|2,0,2]=4 88 B11R0.148 C#CCNCCCCOC(=O)C 34a_100000212058_100000033659 [0,0,0,0,0,0|2,0,2]=4 89 B11R0.148 C#CCNCCCCSC(=O)C 34a_100000212058_200010402107 [0,0,0,0,0,0|2,0,2]=4 90 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000123541_100000184674 [0,0,0,0,0,0|2,0,2]=4 91 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000210247_100009817443 [0,0,0,0,0,0|2,0,2]=4 92 B11R0.148 C#CCOCCCCCC(=O)N 7a_100000123541_100000038162 [0,0,0,0,0,0|2,0,2]=4 93 B11R0.148 C#CCOCCCCCC(=O)[O-] 7a_100102619762_100000038162 [0,0,0,0,0,0|2,0,2]=4 94 B11R0.148 C#CCOCCCCOC(=O)C 34a_100000073216_100000184674 [0,0,0,0,0,0|2,0,2]=4 95 B11R0.148 C#CCOCCCCOC(=O)C 34a_100000210247_100000033659 [0,0,0,0,0,0|2,0,2]=4 96 B11R0.148 C#CCOCCCCOC(=O)C 7a_100000073216_100000038162 [0,0,0,0,0,0|2,0,2]=4 97 B11R0.148 C#CCOCCCCSC(=O)C 34a_100000210247_200010402107 [0,0,0,0,0,0|2,0,2]=4 98 B11R0.148 C#CCOCCOCCC(=O)C 1458a_100000070787_100010408581 [0,0,0,0,0,0|2,0,2]=4 99 B11R0.148 C#CCOCCOCCC(=O)C 1458a_100019993476_200000210301 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.148 C#CCOCCOCCC(=O)C 34a_100000759926_100010402529 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.148 C#CCOCCOCCC(=O)C 7a_100000054580_100000053229 [0,0,0,0,0,0|2,0,2]=4 102 B11R0.148 C#CCOCCOCCC(=O)C 7a_100000759926_100010402529 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.148 C#CCOCCOCCC(=O)[13CH3] 1458a_100019993476_200025704644 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.148 C#CCOCCSCCC(=O)C 62a_100000053229_100010402529 [0,0,0,0,0,0|2,0,2]=4 105 B11R0.148 C#CCOCCSCCC(=O)C 62a_100010402529_100000053229 [0,0,0,0,0,0|2,0,2]=4 106 B11R0.148 C#CCSCCCCCC(=O)N 62a_100000038162_100009817443 [0,0,0,0,0,0|2,0,2]=4 107 B11R0.148 C#CCSCCCCOC(=O)C 62a_100000038162_100000033659 [0,0,0,0,0,0|2,0,2]=4 108 B11R0.148 C#CCSCCCCSC(=O)C 62a_100000038162_200010402107 [0,0,0,0,0,0|2,0,2]=4 109 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,0,0,0,0,0|1,0,2]=3 110 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,0,0,0,0,0|2,0,2]=4 111 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [0,0,0,0,0,0|2,0,2]=4 112 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,0,0,0,0,0|2,0,2]=4 113 B11R0.148 C/C=C/CNCCCNC(=O)C 34a_100000736810_100102629194 [0,0,0,0,0,0|2,0,2]=4 114 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,0,0,0,0,0|1,0,2]=3 115 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,0,0,0,0,0|2,0,2]=4 116 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,0,0,0,0,0|2,0,2]=4 117 B11R0.148 C/C=C/COCCCNC(=O)C 34a_100000752032_100102629194 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.148 C/C=C/COCCCOC(=O)C 34a_100016270725_100000042594 [0,0,0,0,0,0|2,0,2]=4 119 B11R0.148 C/C=C/COCCCSC(=O)C 34a_100016270725_100000038929 [0,0,0,0,0,0|2,0,2]=4 120 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,0,0,0,0,0|1,0,2]=3 121 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,0,0,0,0,0|1,0,2]=3 122 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100000042594_100102629194 [0,0,0,0,0,0|2,0,2]=4 123 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100102629194_100000042594 [0,0,0,0,0,0|2,0,2]=4 124 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100000038929_100102629194 [0,0,0,0,0,0|2,0,2]=4 125 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100102629194_100000038929 [0,0,0,0,0,0|2,0,2]=4 126 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,0,0,0,0,0|2,0,1]=3 127 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [0,0,0,0,0,0|3,0,1]=4 128 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,0,0,0,0,0|3,0,1]=4 129 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [0,0,0,0,0,0|3,0,1]=4 130 B11R0.148 C=C(Br)CCOCCCOCC 34a_100009813270_100012232248 [0,0,0,0,0,0|3,0,1]=4 131 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [0,0,0,0,0,0|3,0,1]=4 132 B11R0.148 C=C(Br)CCOCOCCCC 34a_100009813270_100011995733 [0,0,0,0,0,0|3,0,1]=4 133 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,0,0,0,0,0|2,0,0]=2 134 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,0,0,0,0,0|3,0,0]=3 135 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,0,0,0,0,0|3,0,0]=3 136 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,0,0,0,0,0|3,0,0]=3 137 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,0,0,0,0,0|3,0,0]=3 138 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,0,0,0,0,0|3,0,0]=3 139 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,0,0,0,0,0|3,0,0]=3 140 B11R0.148 C=C(C)CCNCCOCCO 2230a_100000211614_100000730704 [0,0,0,0,0,0|4,0,0]=4 141 B11R0.148 C=C(C)CCNCCOCCO 34a_100000211614_100000730704 [0,0,0,0,0,0|4,0,0]=4 142 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,0,0,0,0,0|3,0,0]=3 143 B11R0.148 C=C(C)CCNCCSCCO 2230a_100011219999_100000730704 [0,0,0,0,0,0|4,0,0]=4 144 B11R0.148 C=C(C)CCOC/C=C/CCC 34a_100016278788_100000730704 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.148 C=C(C)CCOC/C=C/CCC 7a_100016278788_100000730704 [0,0,0,0,0,0|2,0,2]=4 146 B11R0.148 C=C(C)CCOCC#CCCC 34a_100000034806_100000730704 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.148 C=C(C)CCOCC#CCCC 7a_100000034806_100000730704 [0,0,0,0,0,0|2,0,2]=4 148 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100000764851_100015370543 [0,0,0,0,0,0|2,0,2]=4 149 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100016288707_100000730704 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.148 C=C(C)CCOCC/C=C\CC 7a_100016288707_100000730704 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.148 C=C(C)CCOCCC#CCC 34a_100000036655_100000730704 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.148 C=C(C)CCOCCC#CCC 7a_100000036655_100000730704 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.148 C=C(C)CCOCCCC=CC 34a_100020645299_100000730704 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,0,0,0,0,0|3,0,0]=3 155 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,0,0,0,0,0|3,0,0]=3 156 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,0,0,0,0,0|2,0,0]=2 157 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,0,0,0,0,0|2,0,0]=2 158 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,0,0,0,0,0|2,0,0]=2 159 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,0,0,0,0,0|3,0,0]=3 160 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,0,0,0,0,0|3,0,0]=3 161 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,0,0,0,0,0|3,0,0]=3 162 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,0,0,0,0,0|3,0,0]=3 163 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,0,0,0,0,0|3,0,0]=3 164 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,0,0,0,0,0|3,0,0]=3 165 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,0,0,0,0,0|3,0,0]=3 166 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,0,0,0,0,0|3,0,0]=3 167 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,0,0,0,0,0|3,0,0]=3 168 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,0,0,0,0,0|3,0,0]=3 169 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,0,0,0,0,0|3,0,0]=3 170 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,0,0,0,0,0|3,0,0]=3 171 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,0,0,0,0,0|3,0,0]=3 172 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,0,0,0,0,0|3,0,0]=3 173 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,0,0,0,0,0|3,0,0]=3 174 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,0,0,0,0,0|3,0,0]=3 175 B11R0.148 C=C(C)CCOCCOCCBr 34a_100000692535_100000730704 [0,0,0,0,0,0|4,0,0]=4 176 B11R0.148 C=C(C)CCOCCOCCBr 7a_100000692535_100000730704 [0,0,0,0,0,0|4,0,0]=4 177 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,0,0,0,0,0|3,0,0]=3 178 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,0,0,0,0,0|3,0,0]=3 179 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,0,0,0,0,0|3,0,0]=3 180 B11R0.148 C=C(C)CCOCCOCCCl 34a_100011215305_100000730704 [0,0,0,0,0,0|4,0,0]=4 181 B11R0.148 C=C(C)CCOCCOCCCl 7a_100011215305_100000730704 [0,0,0,0,0,0|4,0,0]=4 182 B11R0.148 C=C(C)CCOCCOCCF 34a_200015357709_100000730704 [0,0,0,0,0,0|4,0,0]=4 183 B11R0.148 C=C(C)CCOCCOCCF 7a_200015357709_100000730704 [0,0,0,0,0,0|4,0,0]=4 184 B11R0.148 C=C(C)CCOCCOCCI 34a_100012149058_100000730704 [0,0,0,0,0,0|4,0,0]=4 185 B11R0.148 C=C(C)CCOCCOCCI 7a_100012149058_100000730704 [0,0,0,0,0,0|4,0,0]=4 186 B11R0.148 C=C(C)CCOCCOCCN 34a_100000211614_100000730704 [0,0,0,0,0,0|4,0,0]=4 187 B11R0.148 C=C(C)CCOCCOCCO 34a_100000764851_100000692535 [0,0,0,0,0,0|4,0,0]=4 188 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,0,0,0,0,0|3,0,0]=3 189 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,0,0,0,0,0|3,0,0]=3 190 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,0,0,0,0,0|3,0,0]=3 191 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100000730704_100015370543 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100015370543_100000730704 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.148 C=C(C)CCSCCCCC#N 62a_100000730704_100000211819 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.148 C=C(C)CCSCCCCC#N 62a_100011219923_100000730704 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,0,0,0,0,0|2,0,0]=2 198 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,0,0,0,0,0|2,0,0]=2 199 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,0,0,0,0,0|3,0,0]=3 200 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,0,0,0,0,0|3,0,0]=3 201 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,0,0,0,0,0|3,0,0]=3 202 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,0,0,0,0,0|3,0,0]=3 203 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,0,0,0,0,0|3,0,0]=3 204 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,0,0,0,0,0|3,0,0]=3 205 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,0,0,0,0,0|3,0,0]=3 206 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,0,0,0,0,0|3,0,0]=3 207 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,0,0,0,0,0|3,0,0]=3 208 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,0,0,0,0,0|3,0,0]=3 209 B11R0.148 C=C(C)CCSCCOCCO 62a_100000730704_100011215305 [0,0,0,0,0,0|4,0,0]=4 210 B11R0.148 C=C(C)CCSCCOCCO 62a_100011215305_100000730704 [0,0,0,0,0,0|4,0,0]=4 211 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,0,0,0,0,0|3,0,0]=3 212 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,0,0,0,0,0|3,0,0]=3 213 B11R0.148 C=C(C)CCSCOCCOC 62a_100000231047_100000730704 [0,0,0,0,0,0|4,0,0]=4 214 B11R0.148 C=C(C)CCSCOCCOC 62a_100000730704_100000231047 [0,0,0,0,0,0|4,0,0]=4 215 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,0,0,0,0,0|2,0,0]=2 216 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,0,0,0,0,0|3,0,0]=3 217 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,0,0,0,0,0|3,0,0]=3 218 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,0,0,0,0,0|3,0,0]=3 219 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,0,0,0,0,0|3,0,0]=3 220 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,0,0,0,0,0|3,0,0]=3 221 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,0,0,0,0,0|3,0,0]=3 222 B11R0.148 C=C(C)CNCCOCCOC 2230a_100000745349_100000748629 [0,0,0,0,0,0|4,0,0]=4 223 B11R0.148 C=C(C)CNCCOCCOC 34a_100000745349_100000748629 [0,0,0,0,0,0|4,0,0]=4 224 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,0,0,0,0,0|3,0,0]=3 225 B11R0.148 C=C(C)COC/C=C/CCCC 34a_200016272032_100000748629 [0,0,0,0,0,0|2,0,2]=4 226 B11R0.148 C=C(C)COC/C=C/CCCC 7a_200016272032_100000748629 [0,0,0,0,0,0|2,0,2]=4 227 B11R0.148 C=C(C)COCC#CCCCC 34a_200000034558_100000748629 [0,0,0,0,0,0|2,0,2]=4 228 B11R0.148 C=C(C)COCC#CCCCC 7a_200000034558_100000748629 [0,0,0,0,0,0|2,0,2]=4 229 B11R0.148 C=C(C)COCCC#CCCC 34a_100000042726_100000748629 [0,0,0,0,0,0|2,0,2]=4 230 B11R0.148 C=C(C)COCCC#CCCC 7a_100000042726_100000748629 [0,0,0,0,0,0|2,0,2]=4 231 B11R0.148 C=C(C)COCCC/C=C/CC 34a_100016287902_100000748629 [0,0,0,0,0,0|2,0,2]=4 232 B11R0.148 C=C(C)COCCC/C=C/CC 7a_100016287902_100000748629 [0,0,0,0,0,0|2,0,2]=4 233 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,0,0,0,0,0|3,0,0]=3 234 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,0,0,0,0,0|3,0,0]=3 235 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,0,0,0,0,0|2,0,0]=2 236 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,0,0,0,0,0|2,0,0]=2 237 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,0,0,0,0,0|2,0,0]=2 238 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,0,0,0,0,0|3,0,0]=3 239 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,0,0,0,0,0|3,0,0]=3 240 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,0,0,0,0,0|3,0,0]=3 241 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,0,0,0,0,0|3,0,0]=3 242 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,0,0,0,0,0|3,0,0]=3 243 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,0,0,0,0,0|3,0,0]=3 244 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,0,0,0,0,0|3,0,0]=3 245 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,0,0,0,0,0|3,0,0]=3 246 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,0,0,0,0,0|3,0,0]=3 247 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,0,0,0,0,0|3,0,0]=3 248 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,0,0,0,0,0|3,0,0]=3 249 B11R0.148 C=C(C)COCCOCCNC 34a_100000228057_100000748629 [0,0,0,0,0,0|4,0,0]=4 250 B11R0.148 C=C(C)COCCOCCOC 34a_100000210245_100000695917 [0,0,0,0,0,0|4,0,0]=4 251 B11R0.148 C=C(C)COCCOCCOC 34a_100011215163_100000748629 [0,0,0,0,0,0|4,0,0]=4 252 B11R0.148 C=C(C)COCCOCCOC 7a_100011215163_100000748629 [0,0,0,0,0,0|4,0,0]=4 253 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,0,0,0,0,0|3,0,0]=3 254 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,0,0,0,0,0|3,0,0]=3 255 B11R0.148 C=C(C)CSCCCCCC#N 62a_100000748629_100009813376 [0,0,0,0,0,0|3,0,1]=4 256 B11R0.148 C=C(C)CSCCCCCC#N 62a_100009813376_100000211660 [0,0,0,0,0,0|3,0,1]=4 257 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [0,0,0,0,0,0|3,0,1]=4 258 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [0,0,0,0,0,0|3,0,1]=4 259 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,0,0,0,0,0|2,0,0]=2 260 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,0,0,0,0,0|2,0,0]=2 261 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,0,0,0,0,0|3,0,0]=3 262 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,0,0,0,0,0|3,0,0]=3 263 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,0,0,0,0,0|3,0,0]=3 264 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,0,0,0,0,0|3,0,0]=3 265 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,0,0,0,0,0|3,0,0]=3 266 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,0,0,0,0,0|3,0,0]=3 267 B11R0.148 C=C(C)CSCCOCCOC 62a_100000695917_100000211660 [0,0,0,0,0,0|4,0,0]=4 268 B11R0.148 C=C(C)CSCCOCCOC 62a_100000748629_100000695917 [0,0,0,0,0,0|4,0,0]=4 269 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,0,0,0,0,0|2,0,1]=3 270 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,0,0,0,0,0|3,0,1]=4 271 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,0,0,0,0,0|3,0,1]=4 272 B11R0.148 C=C(F)CNCCCCCOC 2230a_100000747528_100009893438 [0,0,0,0,0,0|3,0,1]=4 273 B11R0.148 C=C(F)CNCCCCCOC 34a_100000747528_100009893438 [0,0,0,0,0,0|3,0,1]=4 274 B11R0.148 C=C(F)CNCCCOCCC 2230a_100011217757_100009893438 [0,0,0,0,0,0|3,0,1]=4 275 B11R0.148 C=C(F)CNCCCOCCC 34a_100011217757_100009893438 [0,0,0,0,0,0|3,0,1]=4 276 B11R0.148 C=C(F)CNCCSCCCC 2230a_100025743550_100009893438 [0,0,0,0,0,0|3,0,1]=4 277 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [0,0,0,0,0,0|3,0,1]=4 278 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [0,0,0,0,0,0|3,0,1]=4 279 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,0,0,0,0,0|2,0,1]=3 280 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,0,0,0,0,0|2,0,1]=3 281 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,0,0,0,0,0|2,0,1]=3 282 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [0,0,0,0,0,0|3,0,1]=4 283 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [0,0,0,0,0,0|3,0,1]=4 284 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [0,0,0,0,0,0|3,0,1]=4 285 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [0,0,0,0,0,0|3,0,1]=4 286 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [0,0,0,0,0,0|3,0,1]=4 287 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [0,0,0,0,0,0|3,0,1]=4 288 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,0,0,0,0,0|3,0,1]=4 289 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [0,0,0,0,0,0|3,0,1]=4 290 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [0,0,0,0,0,0|3,0,1]=4 291 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [0,0,0,0,0,0|3,0,1]=4 292 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [0,0,0,0,0,0|3,0,1]=4 293 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [0,0,0,0,0,0|3,0,1]=4 294 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [0,0,0,0,0,0|3,0,1]=4 295 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,0,0,0,0,0|2,0,1]=3 296 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,0,0,0,0,0|2,0,1]=3 297 B11R0.148 C=C(F)CSCCCCCCF 62a_100000042424_100015922095 [0,0,0,0,0,0|3,0,1]=4 298 B11R0.148 C=C(F)CSCCCCCCF 62a_100015922095_100000042424 [0,0,0,0,0,0|3,0,1]=4 299 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [0,0,0,0,0,0|3,0,1]=4 300 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [0,0,0,0,0,0|3,0,1]=4 301 B11R0.148 C=C(F)CSCCOCCCC 62a_100000042424_100000743108 [0,0,0,0,0,0|3,0,1]=4 302 B11R0.148 C=C(F)CSCCOCCCC 62a_100000743108_100000042424 [0,0,0,0,0,0|3,0,1]=4 303 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,0,0,0,0,0|0,0,2]=2 304 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,0,0,0,0,0|0,0,2]=2 305 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,0,0,0,0,0|0,0,2]=2 306 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,0,0,0,0,0|2,0,2]=4 307 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,0,0,0,0,0|2,0,2]=4 308 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,0,0,0,0,0|2,0,2]=4 309 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,0,0,0,0,0|2,0,2]=4 310 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [0,0,0,0,0,0|2,0,2]=4 311 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [0,0,0,0,0,0|2,0,2]=4 312 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [0,0,0,0,0,0|2,0,2]=4 313 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,0,0,0,0,0|1,0,2]=3 314 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,0,0,0,0,0|2,0,2]=4 315 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,0,0,0,0,0|2,0,2]=4 316 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,0,0,0,0,0|2,0,2]=4 317 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [0,0,0,0,0,0|2,0,2]=4 318 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [0,0,0,0,0,0|2,0,2]=4 319 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [0,0,0,0,0,0|2,0,2]=4 320 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [0,0,0,0,0,0|2,0,2]=4 321 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [0,0,0,0,0,0|2,0,2]=4 322 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [0,0,0,0,0,0|2,0,2]=4 323 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [0,0,0,0,0,0|2,0,2]=4 324 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [0,0,0,0,0,0|2,0,2]=4 325 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [0,0,0,0,0,0|2,0,2]=4 326 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [0,0,0,0,0,0|2,0,2]=4 327 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [0,0,0,0,0,0|2,0,2]=4 328 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [0,0,0,0,0,0|2,0,2]=4 329 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [0,0,0,0,0,0|2,0,2]=4 330 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [0,0,0,0,0,0|2,0,2]=4 331 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,0,0,0,0,0|1,0,2]=3 332 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,0,0,0,0,0|1,0,2]=3 333 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,0,0,0,0,0|1,0,2]=3 334 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [0,0,0,0,0,0|2,0,2]=4 335 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [0,0,0,0,0,0|2,0,2]=4 336 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [0,0,0,0,0,0|2,0,2]=4 337 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [0,0,0,0,0,0|2,0,2]=4 338 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [0,0,0,0,0,0|2,0,2]=4 339 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [0,0,0,0,0,0|2,0,2]=4 340 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [0,0,0,0,0,0|2,0,2]=4 341 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,0,0,0,0,0|1,0,2]=3 342 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,0,0,0,0,0|1,0,2]=3 343 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [0,0,0,0,0,0|2,0,2]=4 344 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [0,0,0,0,0,0|2,0,2]=4 345 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [0,0,0,0,0,0|2,0,2]=4 346 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [0,0,0,0,0,0|2,0,2]=4 347 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,0,0,0,0,0|1,0,2]=3 348 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [0,0,0,0,0,0|2,0,2]=4 349 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [0,0,0,0,0,0|2,0,2]=4 350 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [0,0,0,0,0,0|2,0,2]=4 351 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [0,0,0,0,0,0|2,0,2]=4 352 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [0,0,0,0,0,0|2,0,2]=4 353 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [0,0,0,0,0,0|2,0,2]=4 354 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,0,0,0,0,0|1,0,2]=3 355 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,0,0,0,0,0|1,0,2]=3 356 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,0,0,0,0,0|1,0,2]=3 357 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,0,0,0,0,0|1,0,2]=3 358 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [0,0,0,0,0,0|2,0,2]=4 359 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [0,0,0,0,0,0|2,0,2]=4 360 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [0,0,0,0,0,0|2,0,2]=4 361 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [0,0,0,0,0,0|2,0,2]=4 362 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [0,0,0,0,0,0|2,0,2]=4 363 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [0,0,0,0,0,0|2,0,2]=4 364 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,0,0,0,0,0|1,0,2]=3 365 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,0,0,0,0,0|1,0,2]=3 366 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [0,0,0,0,0,0|2,0,2]=4 367 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [0,0,0,0,0,0|2,0,2]=4 368 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [0,0,0,0,0,0|2,0,2]=4 369 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [0,0,0,0,0,0|2,0,2]=4 370 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [0,0,0,0,0,0|2,0,2]=4 371 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [0,0,0,0,0,0|2,0,2]=4 372 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [0,0,0,0,0,0|2,0,2]=4 373 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [0,0,0,0,0,0|2,0,2]=4 374 B11R0.148 C=CCCNCCCSC(=O)C 2230a_100015191253_100000038929 [0,0,0,0,0,0|2,0,2]=4 375 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,0,0,0,0,0|1,0,2]=3 376 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [0,0,0,0,0,0|2,0,2]=4 377 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [0,0,0,0,0,0|2,0,2]=4 378 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [0,0,0,0,0,0|2,0,2]=4 379 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [0,0,0,0,0,0|2,0,2]=4 380 B11R0.148 C=CCCOCCCSC(=O)C 34a_100011205117_100000038929 [0,0,0,0,0,0|2,0,2]=4 381 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,0,0,0,0,0|1,0,2]=3 382 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,0,0,0,0,0|1,0,2]=3 383 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [0,0,0,0,0,0|2,0,2]=4 384 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [0,0,0,0,0,0|2,0,2]=4 385 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000038929_100000754431 [0,0,0,0,0,0|2,0,2]=4 386 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000754431_100000038929 [0,0,0,0,0,0|2,0,2]=4 387 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [0,0,0,0,0,0|2,0,2]=4 388 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [0,0,0,0,0,0|2,0,2]=4 389 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [0,0,0,0,0,0|2,0,2]=4 390 B11R0.148 C=CCNCCCCSC(=O)C 2230a_100020586998_200010402107 [0,0,0,0,0,0|2,0,2]=4 391 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [0,0,0,0,0,0|2,0,2]=4 392 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [0,0,0,0,0,0|2,0,2]=4 393 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [0,0,0,0,0,0|2,0,2]=4 394 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [0,0,0,0,0,0|2,0,2]=4 395 B11R0.148 C=CCOCCCCOC(=O)C 34a_100000073216_100015514636 [0,0,0,0,0,0|2,0,2]=4 396 B11R0.148 C=CCOCCCCOC(=O)C 34a_200000210373_100000033659 [0,0,0,0,0,0|2,0,2]=4 397 B11R0.148 C=CCOCCCCOC(=O)C 7a_100000073216_100015514636 [0,0,0,0,0,0|2,0,2]=4 398 B11R0.148 C=CCOCCCCSC(=O)C 34a_200000210373_200010402107 [0,0,0,0,0,0|2,0,2]=4 399 B11R0.148 C=CCOCCOCCC(=O)C 7a_100000037705_100000053229 [0,0,0,0,0,0|2,0,2]=4 400 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [0,0,0,0,0,0|2,0,2]=4 401 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [0,0,0,0,0,0|2,0,2]=4 402 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000033659_100000210623 [0,0,0,0,0,0|2,0,2]=4 403 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000210623_100000033659 [0,0,0,0,0,0|2,0,2]=4 404 B11R0.148 C=CCSCCCCSC(=O)C 62a_100000210623_200010402107 [0,0,0,0,0,0|2,0,2]=4 405 B11R0.148 C=CCSCCCCSC(=O)C 62a_200010402107_100000210623 [0,0,0,0,0,0|2,0,2]=4 406 B11R0.148 C=COCCOCCCC(=O)C 34a_100000033082_100000685027 [0,0,0,0,0,0|2,0,2]=4 407 B11R0.148 C=COCCOCCCC(=O)C 34a_100000759063_100000039644 [0,0,0,0,0,0|2,0,2]=4 408 B11R0.148 C=COCCOCCCC(=O)C 7a_100000759063_100000039644 [0,0,0,0,0,0|2,0,2]=4 409 B11R0.148 C=COCCSCCCC(=O)C 62a_100000039644_100011215641 [0,0,0,0,0,0|2,0,2]=4 410 B11R0.148 C=COCCSCCCC(=O)C 62a_100011215641_100000039644 [0,0,0,0,0,0|2,0,2]=4 411 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,0,0,0,0,0|1,0,2]=3 412 B11R0.148 CC#CCCOCCCC(=O)N 34a_100000750427_100102525003 [0,0,0,0,0,0|2,0,2]=4 413 B11R0.148 CC#CCCOCCOC(=O)C 34a_100000750427_100009814007 [0,0,0,0,0,0|2,0,2]=4 414 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,0,0,0,0,0|1,0,2]=3 415 B11R0.148 CC#CCNCCCCC(=O)N 34a_100000696515_100000748600 [0,0,0,0,0,0|2,0,2]=4 416 B11R0.148 CC#CCNCCCNC(=O)C 34a_100000736810_100000748600 [0,0,0,0,0,0|2,0,2]=4 417 B11R0.148 CC#CCNCCCOC(=O)C 34a_100000685387_100000042594 [0,0,0,0,0,0|2,0,2]=4 418 B11R0.148 CC#CCNCCCSC(=O)C 2230a_100000685387_100000038929 [0,0,0,0,0,0|2,0,2]=4 419 B11R0.148 CC#CCNCCCSC(=O)C 34a_100000685387_100000038929 [0,0,0,0,0,0|2,0,2]=4 420 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,0,0,0,0,0|1,0,2]=3 421 B11R0.148 CC#CCOCCCCC(=O)N 34a_100012022536_100000748600 [0,0,0,0,0,0|2,0,2]=4 422 B11R0.148 CC#CCOCCCCC(=O)N 7a_100012022536_100000748600 [0,0,0,0,0,0|2,0,2]=4 423 B11R0.148 CC#CCOCCCNC(=O)C 34a_100000752032_100000748600 [0,0,0,0,0,0|2,0,2]=4 424 B11R0.148 CC#CCOCCCOC(=O)C 34a_100000761923_100000042594 [0,0,0,0,0,0|2,0,2]=4 425 B11R0.148 CC#CCOCCCSC(=O)C 34a_100000761923_100000038929 [0,0,0,0,0,0|2,0,2]=4 426 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,0,0,0,0,0|1,0,2]=3 427 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,0,0,0,0,0|1,0,2]=3 428 B11R0.148 CC#CCSCCCOC(=O)C 62a_100000042594_100000748600 [0,0,0,0,0,0|2,0,2]=4 429 B11R0.148 CC#CCSCCCOC(=O)C 62a_100000748600_100000042594 [0,0,0,0,0,0|2,0,2]=4 430 B11R0.148 CC#CCSCCCSC(=O)C 62a_100000038929_100000748600 [0,0,0,0,0,0|2,0,2]=4 431 B11R0.148 CC#CCSCCCSC(=O)C 62a_100000748600_100000038929 [0,0,0,0,0,0|2,0,2]=4 432 B11R0.148 CC(=CCCNCCCCO)C 2230a_100000750430_100011217483 [0,0,0,0,0,0|3,0,1]=4 433 B11R0.148 CC(=CCCNCCCCO)C 34a_100000750430_100011217483 [0,0,0,0,0,0|3,0,1]=4 434 B11R0.148 CC(=CCCOCCCCBr)C 34a_100011216708_100011217483 [0,0,0,0,0,0|3,0,1]=4 435 B11R0.148 CC(=CCCOCCCCCl)C 34a_100000210776_100011217483 [0,0,0,0,0,0|3,0,1]=4 436 B11R0.148 CC(=CCCOCCCCCl)C 7a_100000210776_100011217483 [0,0,0,0,0,0|3,0,1]=4 437 B11R0.148 CC(=CCCOCCCCF)C 34a_100011995726_100011217483 [0,0,0,0,0,0|3,0,1]=4 438 B11R0.148 CC(=CCCOCCCCF)C 7a_100011995726_100011217483 [0,0,0,0,0,0|3,0,1]=4 439 B11R0.148 CC(=CCCOCCCCI)C 34a_200012148704_100011217483 [0,0,0,0,0,0|3,0,1]=4 440 B11R0.148 CC(=CCCOCCCCN)C 34a_100000750430_100011217483 [0,0,0,0,0,0|3,0,1]=4 441 B11R0.148 CC(=CCCSCCCCF)C 62a_100000729493_100011217483 [0,0,0,0,0,0|3,0,1]=4 442 B11R0.148 CC(=CCCSCCCCF)C 62a_100011217483_100000729493 [0,0,0,0,0,0|3,0,1]=4 443 B11R0.148 CC(=CCCSCCCCO)C 62a_100000210776_100011217483 [0,0,0,0,0,0|3,0,1]=4 444 B11R0.148 CC(=CCCSCCCCO)C 62a_100011217483_100000210776 [0,0,0,0,0,0|3,0,1]=4 445 B11R0.148 CC(=CCNCCCCCF)C 34a_100000718196_100000729378 [0,0,0,0,0,0|3,0,1]=4 446 B11R0.148 CC(=CCNCCCCCO)C 2230a_100000762737_100000761012 [0,0,0,0,0,0|3,0,1]=4 447 B11R0.148 CC(=CCNCCCCCO)C 34a_100000718196_100000746330 [0,0,0,0,0,0|3,0,1]=4 448 B11R0.148 CC(=CCNCCCCCO)C 34a_100000762737_100000761012 [0,0,0,0,0,0|3,0,1]=4 449 B11R0.148 CC(=CCOCCCCCBr)C 34a_100000746331_100000761012 [0,0,0,0,0,0|3,0,1]=4 450 B11R0.148 CC(=CCOCCCCCBr)C 7a_100000746331_100000761012 [0,0,0,0,0,0|3,0,1]=4 451 B11R0.148 CC(=CCOCCCCCCl)C 34a_100000746330_100000761012 [0,0,0,0,0,0|3,0,1]=4 452 B11R0.148 CC(=CCOCCCCCCl)C 7a_100000746330_100000761012 [0,0,0,0,0,0|3,0,1]=4 453 B11R0.148 CC(=CCOCCCCCF)C 34a_100000753907_100000729378 [0,0,0,0,0,0|3,0,1]=4 454 B11R0.148 CC(=CCOCCCCCI)C 34a_200012148887_100000761012 [0,0,0,0,0,0|3,0,1]=4 455 B11R0.148 CC(=CCOCCCCCI)C 7a_200012148887_100000761012 [0,0,0,0,0,0|3,0,1]=4 456 B11R0.148 CC(=CCOCCCCCN)C 34a_100000762737_100000761012 [0,0,0,0,0,0|3,0,1]=4 457 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.148 CC(=CCSCCCCCF)C 62a_100000729378_100000761012 [0,0,0,0,0,0|3,0,1]=4 459 B11R0.148 CC(=CCSCCCCCF)C 62a_100000761012_100000729378 [0,0,0,0,0,0|3,0,1]=4 460 B11R0.148 CC(=CCSCCCCCO)C 62a_100000746330_100000761012 [0,0,0,0,0,0|3,0,1]=4 461 B11R0.148 CC(=CCSCCCCCO)C 62a_100000761012_100000746330 [0,0,0,0,0,0|3,0,1]=4 462 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,0,0,0,0,0|1,0,0]=1 463 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,0,0,0,0,0|2,0,0]=2 464 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,0,0,0,0,0|2,0,0]=2 465 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,0,0,0,0,0|2,0,0]=2 466 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,0,0,0,0,0|2,0,0]=2 467 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,0,0,0,0,0|2,0,0]=2 468 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,0,0,0,0,0|3,0,0]=3 469 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,0,0,0,0,0|2,0,1]=3 470 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,0,0,0,0,0|2,0,1]=3 471 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,0,0,0,0,0|2,0,0]=2 472 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,0,0,0,0,0|2,0,0]=2 473 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,0,0,0,0,0|2,0,0]=2 474 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,0,0,0,0,0|2,0,0]=2 475 B11R0.148 CC(=O)CCCCSCSC#N 62a_100000211825_100000735457 [0,0,0,0,0,0|3,0,1]=4 476 B11R0.148 CC(=O)CCCCSCSC#N 62a_100000735457_100000211825 [0,0,0,0,0,0|3,0,1]=4 477 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,0,0,0,0,0|2,0,0]=2 478 B11R0.148 CC(=O)CCCOCC#CCCl 34a_200000047223_100000685027 [0,0,0,0,0,0|2,0,2]=4 479 B11R0.148 CC(=O)CCCOCC#CCO 34a_100000759063_200000047223 [0,0,0,0,0,0|2,0,2]=4 480 B11R0.148 CC(=O)CCCOCC#CCO 7a_100000759063_200000047223 [0,0,0,0,0,0|2,0,2]=4 481 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,0,0,0,0,0|2,0,1]=3 482 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,0,0,0,0,0|2,0,1]=3 483 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,0,0,0,0,0|2,0,0]=2 484 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,0,0,0,0,0|2,0,0]=2 485 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,0,0,0,0,0|2,0,0]=2 486 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,0,0,0,0,0|2,0,0]=2 487 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,0,0,0,0,0|2,0,0]=2 488 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,0,0,0,0,0|2,0,0]=2 489 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,0,0,0,0,0|2,0,0]=2 490 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,0,0,0,0,0|2,0,0]=2 491 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,0,0,0,0,0|2,0,0]=2 492 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,0,0,0,0,0|2,0,0]=2 493 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,0,0,0,0,0|2,0,0]=2 494 B11R0.148 CC(=O)CCCSCC#CCO 62a_100011215641_200000047223 [0,0,0,0,0,0|2,0,2]=4 495 B11R0.148 CC(=O)CCCSCC#CCO 62a_200000047223_100011215641 [0,0,0,0,0,0|2,0,2]=4 496 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,0,0,0,0,0|2,0,1]=3 497 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,0,0,0,0,0|2,0,1]=3 498 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,0,0,0,0,0|2,0,1]=3 499 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,0,0,0,0,0|2,0,1]=3 500 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,0,0,0,0,0|2,0,0]=2 501 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,0,0,0,0,0|2,0,0]=2 502 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,0,0,0,0,0|2,0,0]=2 503 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,0,0,0,0,0|2,0,0]=2 504 B11R0.148 CC(=O)CCCSCCSC#N 62a_100000034367_100011215641 [0,0,0,0,0,0|3,0,1]=4 505 B11R0.148 CC(=O)CCCSCCSC#N 62a_100011215641_100000034367 [0,0,0,0,0,0|3,0,1]=4 506 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,0,0,0,0,0|2,0,1]=3 507 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,0,0,0,0,0|2,0,1]=3 508 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,0,0,0,0,0|2,0,0]=2 509 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,0,0,0,0,0|2,0,0]=2 510 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,0,0,0,0,0|2,0,0]=2 511 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,0,0,0,0,0|2,0,0]=2 512 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,0,0,0,0,0|2,0,0]=2 513 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,0,0,0,0,0|2,0,0]=2 514 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,0,0,0,0,0|2,0,0]=2 515 B11R0.148 CC(=O)CCOCCOCC#N 7a_100000759926_200000047693 [0,0,0,0,0,0|3,0,1]=4 516 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,0,0,0,0,0|3,0,0]=3 517 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,0,0,0,0,0|3,0,0]=3 518 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,0,0,0,0,0|3,0,0]=3 519 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,0,0,0,0,0|3,0,0]=3 520 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,0,0,0,0,0|3,0,0]=3 521 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,0,0,0,0,0|3,0,0]=3 522 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,0,0,0,0,0|3,0,0]=3 523 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,0,0,0,0,0|3,0,0]=3 524 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,0,0,0,0,0|2,0,1]=3 525 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,0,0,0,0,0|2,0,1]=3 526 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,0,0,0,0,0|2,0,1]=3 527 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,0,0,0,0,0|2,0,1]=3 528 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,0,0,0,0,0|2,0,0]=2 529 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,0,0,0,0,0|2,0,0]=2 530 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,0,0,0,0,0|2,0,0]=2 531 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,0,0,0,0,0|2,0,0]=2 532 B11R0.148 CC(=O)CCSCCOCC#N 62a_100000053229_200000047693 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.148 CC(=O)CCSCCOCC#N 62a_200000047693_100000053229 [0,0,0,0,0,0|3,0,1]=4 534 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,0,0,0,0,0|3,0,0]=3 535 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,0,0,0,0,0|3,0,0]=3 536 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,0,0,0,0,0|2,0,0]=2 537 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,0,0,0,0,0|2,0,0]=2 538 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,0,0,0,0,0|2,0,0]=2 539 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,0,0,0,0,0|2,0,0]=2 540 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,0,0,0,0,0|2,0,0]=2 541 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,0,0,0,0,0|3,0,0]=3 542 B11R0.148 CC(=O)NCCCCNCC#N 2230a_200011368371_100011215382 [0,0,0,0,0,0|3,0,1]=4 543 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [0,0,0,0,0,0|3,0,1]=4 544 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [0,0,0,0,0,0|3,0,1]=4 545 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,0,0,0,0,0|3,0,0]=3 546 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,0,0,0,0,0|3,0,0]=3 547 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,0,0,0,0,0|3,0,0]=3 548 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,0,0,0,0,0|3,0,0]=3 549 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,0,0,0,0,0|3,0,0]=3 550 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,0,0,0,0,0|3,0,0]=3 551 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,0,0,0,0,0|3,0,0]=3 552 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,0,0,0,0,0|3,0,0]=3 553 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,0,0,0,0,0|3,0,0]=3 554 B11R0.148 CC(=O)NCCNCCCC#N 2230a_100000209853_100000687738 [0,0,0,0,0,0|3,0,1]=4 555 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [0,0,0,0,0,0|3,0,1]=4 556 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,0,0,0,0,0|3,0,0]=3 557 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,0,0,0,0,0|3,0,0]=3 558 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,0,0,0,0,0|3,0,0]=3 559 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,0,0,0,0,0|3,0,0]=3 560 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,0,0,0,0,0|3,0,0]=3 561 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,0,0,0,0,0|3,0,0]=3 562 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,0,0,0,0,0|3,0,0]=3 563 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000189650_100000687738 [0,0,0,0,0,0|3,0,1]=4 564 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000687738_100000189650 [0,0,0,0,0,0|3,0,1]=4 565 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [0,0,0,0,0,0|3,0,1]=4 566 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [0,0,0,0,0,0|3,0,1]=4 567 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,0,0,0,0,0|3,0,0]=3 568 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,0,0,0,0,0|3,0,0]=3 569 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,0,0,0,0,0|3,0,0]=3 570 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,0,0,0,0,0|3,0,0]=3 571 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,0,0,0,0,0|3,0,0]=3 572 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,0,0,0,0,0|3,0,0]=3 573 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,0,0,0,0,0|3,0,0]=3 574 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,0,0,0,0,0|3,0,0]=3 575 B11R0.148 CC(=O)OCCCCOCC#N 7a_100000073216_100011215382 [0,0,0,0,0,0|3,0,1]=4 576 B11R0.148 CC(=O)OCCCCOCC=O 34a_100000073216_200009817547 [0,0,0,0,0,0|3,0,1]=4 577 B11R0.148 CC(=O)OCCCCOCC=O 7a_100000073216_200015260668 [0,0,0,0,0,0|3,0,1]=4 578 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,0,0,0,0,0|3,0,0]=3 579 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,0,0,0,0,0|3,0,0]=3 580 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,0,0,0,0,0|3,0,0]=3 581 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,0,0,0,0,0|3,0,0]=3 582 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,0,0,0,0,0|3,0,0]=3 583 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,0,0,0,0,0|3,0,0]=3 584 B11R0.148 CC(=O)OCCCCSCC#N 62a_100000033659_100011215382 [0,0,0,0,0,0|3,0,1]=4 585 B11R0.148 CC(=O)OCCCCSCC#N 62a_100011215382_100000033659 [0,0,0,0,0,0|3,0,1]=4 586 B11R0.148 CC(=O)OCCCCSCC=O 62a_100000033659_200015260668 [0,0,0,0,0,0|3,0,1]=4 587 B11R0.148 CC(=O)OCCCCSCC=O 62a_200015260668_100000033659 [0,0,0,0,0,0|3,0,1]=4 588 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,0,0,0,0,0|3,0,0]=3 589 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,0,0,0,0,0|3,0,0]=3 590 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,0,0,0,0,0|3,0,0]=3 591 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,0,0,0,0,0|3,0,0]=3 592 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,0,0,0,0,0|3,0,0]=3 593 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,0,0,0,0,0|3,0,0]=3 594 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,0,0,0,0,0|3,0,0]=3 595 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,0,0,0,0,0|3,0,0]=3 596 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,0,0,0,0,0|3,0,0]=3 597 B11R0.148 CC(=O)OCCCOCCON 34a_100000700252_100000042594 [0,0,0,0,0,0|4,0,0]=4 598 B11R0.148 CC(=O)OCCCSCCC#N 62a_100000042594_100011215226 [0,0,0,0,0,0|3,0,1]=4 599 B11R0.148 CC(=O)OCCCSCCC#N 62a_100011215226_100000042594 [0,0,0,0,0,0|3,0,1]=4 600 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,0,0,0,0,0|3,0,0]=3 601 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,0,0,0,0,0|3,0,0]=3 602 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,0,0,0,0,0|3,0,0]=3 603 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,0,0,0,0,0|3,0,0]=3 604 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,0,0,0,0,0|3,0,0]=3 605 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,0,0,0,0,0|3,0,0]=3 606 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,0,0,0,0,0|3,0,0]=3 607 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,0,0,0,0,0|3,0,0]=3 608 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,0,0,0,0,0|3,0,0]=3 609 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,0,0,0,0,0|3,0,0]=3 610 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,0,0,0,0,0|3,0,0]=3 611 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,0,0,0,0,0|3,0,0]=3 612 B11R0.148 CC(=O)OCCOCCSCF 62a_100015361967_200000083610 [0,0,0,0,0,0|4,0,0]=4 613 B11R0.148 CC(=O)OCCOCCSCF 62a_200000083610_100015361967 [0,0,0,0,0,0|4,0,0]=4 614 B11R0.148 CC(=O)OCCOCNCCF 34a_100000724931_100000076355 [0,0,0,0,0,0|4,0,0]=4 615 B11R0.148 CC(=O)OCCOCNCCO 34a_100016990907_100000076355 [0,0,0,0,0,0|4,0,0]=4 616 B11R0.148 CC(=O)OCCOCOCCBr 34a_100000211926_100000076355 [0,0,0,0,0,0|4,0,0]=4 617 B11R0.148 CC(=O)OCCOCOCCN 34a_100000210304_100000076355 [0,0,0,0,0,0|4,0,0]=4 618 B11R0.148 CC(=O)OCCOCSCCF 62a_100000076355_100011217306 [0,0,0,0,0,0|4,0,0]=4 619 B11R0.148 CC(=O)OCCOCSCCF 62a_100011217306_100000076355 [0,0,0,0,0,0|4,0,0]=4 620 B11R0.148 CC(=O)OCCOCSCCO 62a_100000076355_100000211926 [0,0,0,0,0,0|4,0,0]=4 621 B11R0.148 CC(=O)OCCOCSCCO 62a_100000211926_100000076355 [0,0,0,0,0,0|4,0,0]=4 622 B11R0.148 CC(=O)OCCSCCCC#N 62a_100000687738_100009814007 [0,0,0,0,0,0|3,0,1]=4 623 B11R0.148 CC(=O)OCCSCCCC#N 62a_100009814007_100000687738 [0,0,0,0,0,0|3,0,1]=4 624 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,0,0,0,0,0|3,0,1]=4 625 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,0,0,0,0,0|3,0,1]=4 626 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,0,0,0,0,0|3,0,0]=3 627 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,0,0,0,0,0|3,0,0]=3 628 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,0,0,0,0,0|3,0,0]=3 629 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,0,0,0,0,0|3,0,0]=3 630 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,0,0,0,0,0|3,0,0]=3 631 B11R0.148 CC(=O)OCNCCOCCO 34a_100000211614_100009813279 [0,0,0,0,0,0|4,0,0]=4 632 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,0,0,0,0,0|3,0,0]=3 633 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,0,0,0,0,0|3,0,0]=3 634 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,0,0,0,0,0|3,0,0]=3 635 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,0,0,0,0,0|3,0,0]=3 636 B11R0.148 CC(=O)OCOCCOCCBr 34a_100000692535_100009813279 [0,0,0,0,0,0|4,0,0]=4 637 B11R0.148 CC(=O)OCOCCOCCCl 34a_100011215305_100009813279 [0,0,0,0,0,0|4,0,0]=4 638 B11R0.148 CC(=O)OCOCCOCCF 34a_200015357709_100009813279 [0,0,0,0,0,0|4,0,0]=4 639 B11R0.148 CC(=O)OCOCCOCCI 34a_100012149058_100009813279 [0,0,0,0,0,0|4,0,0]=4 640 B11R0.148 CC(=O)OCOCCOCCN 34a_100000211614_100009813279 [0,0,0,0,0,0|4,0,0]=4 641 B11R0.148 CC(=O)OCSCCCCC#N 62a_100000076356_100000211819 [0,0,0,0,0,0|3,0,1]=4 642 B11R0.148 CC(=O)OCSCCCCC#N 62a_100011219923_100000076356 [0,0,0,0,0,0|3,0,1]=4 643 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [0,0,0,0,0,0|3,0,1]=4 644 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [0,0,0,0,0,0|3,0,1]=4 645 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,0,0,0,0,0|3,0,0]=3 646 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,0,0,0,0,0|3,0,0]=3 647 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,0,0,0,0,0|3,0,0]=3 648 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,0,0,0,0,0|3,0,0]=3 649 B11R0.148 CC(=O)OCSCCOCCO 62a_100000076356_100011215305 [0,0,0,0,0,0|4,0,0]=4 650 B11R0.148 CC(=O)OCSCCOCCO 62a_100011215305_100000076356 [0,0,0,0,0,0|4,0,0]=4 651 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,0,0,0,0,0|3,0,0]=3 652 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,0,0,0,0,0|3,0,0]=3 653 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,0,0,0,0,0|3,0,0]=3 654 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,0,0,0,0,0|3,0,0]=3 655 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,0,0,0,0,0|3,0,0]=3 656 B11R0.148 CC(=O)SCCCCSCC#N 62a_100011215382_200010402107 [0,0,0,0,0,0|3,0,1]=4 657 B11R0.148 CC(=O)SCCCCSCC#N 62a_200010402107_100011215382 [0,0,0,0,0,0|3,0,1]=4 658 B11R0.148 CC(=O)SCCCCSCC=O 62a_200010402107_200015260668 [0,0,0,0,0,0|3,0,1]=4 659 B11R0.148 CC(=O)SCCCCSCC=O 62a_200015260668_200010402107 [0,0,0,0,0,0|3,0,1]=4 660 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,0,0,0,0,0|3,0,0]=3 661 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,0,0,0,0,0|3,0,0]=3 662 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,0,0,0,0,0|3,0,0]=3 663 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,0,0,0,0,0|3,0,0]=3 664 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,0,0,0,0,0|3,0,0]=3 665 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,0,0,0,0,0|3,0,0]=3 666 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,0,0,0,0,0|3,0,0]=3 667 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,0,0,0,0,0|3,0,0]=3 668 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,0,0,0,0,0|3,0,0]=3 669 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,0,0,0,0,0|3,0,0]=3 670 B11R0.148 CC(=O)SCCCOCCON 34a_100000700252_100000038929 [0,0,0,0,0,0|4,0,0]=4 671 B11R0.148 CC(=O)SCCCSCCC#N 62a_100000038929_100011215226 [0,0,0,0,0,0|3,0,1]=4 672 B11R0.148 CC(=O)SCCCSCCC#N 62a_100011215226_100000038929 [0,0,0,0,0,0|3,0,1]=4 673 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,0,0,0,0,0|3,0,0]=3 674 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,0,0,0,0,0|3,0,0]=3 675 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,0,0,0,0,0|3,0,0]=3 676 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,0,0,0,0,0|3,0,0]=3 677 B11R0.148 CC(=S)OCCCNCCCF 2230a_100015189416_200135323944 [0,0,0,0,0,0|3,1,0]=4 678 B11R0.148 CC(=S)OCCCNCCCF 34a_100015189416_200135323944 [0,0,0,0,0,0|3,1,0]=4 679 B11R0.148 CC(=S)OCCCOCCCBr 34a_100011217188_200135323944 [0,0,0,0,0,0|3,1,0]=4 680 B11R0.148 CC(=S)OCCCOCCCCl 34a_100000230001_200135323944 [0,0,0,0,0,0|3,1,0]=4 681 B11R0.148 CC(=S)OCCCOCCCF 34a_100000759539_200135323944 [0,0,0,0,0,0|3,1,0]=4 682 B11R0.148 CC(=S)OCCCOCCCN 34a_100000182051_200135323944 [0,0,0,0,0,0|3,1,0]=4 683 B11R0.148 CC(=S)OCCCSCCCF 62a_100011934791_200135323944 [0,0,0,0,0,0|3,1,0]=4 684 B11R0.148 CC(=S)OCCCSCCCF 62a_200135323944_100011934791 [0,0,0,0,0,0|3,1,0]=4 685 B11R0.148 CC(=S)OCCCSCCCO 62a_100011215043_200135323944 [0,0,0,0,0,0|3,1,0]=4 686 B11R0.148 CC(=S)OCCCSCCCO 62a_200135323944_100011215043 [0,0,0,0,0,0|3,1,0]=4 687 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [0,0,0,0,0,0|3,0,1]=4 688 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,0,0,0,0,0|3,0,1]=4 689 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,0,0,0,0,0|3,0,1]=4 690 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,0,0,0,0,0|3,0,1]=4 691 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,0,0,0,0,0|2,0,1]=3 692 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,0,0,0,0,0|2,0,1]=3 693 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,0,0,0,0,0|3,0,1]=4 694 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,0,0,0,0,0|3,0,1]=4 695 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,0,0,0,0,0|3,0,1]=4 696 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,0,0,0,0,0|3,0,1]=4 697 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,0,0,0,0,0|3,0,1]=4 698 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,0,0,0,0,0|3,0,1]=4 699 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,0,0,0,0,0|3,0,1]=4 700 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,0,0,0,0,0|3,0,1]=4 701 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [0,0,0,0,0,0|3,0,1]=4 702 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [0,0,0,0,0,0|3,0,1]=4 703 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [0,0,0,0,0,0|3,0,1]=4 704 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [0,0,0,0,0,0|3,0,1]=4 705 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,0,0,0,0,0|3,0,1]=4 706 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,0,0,0,0,0|3,0,1]=4 707 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [0,0,0,0,0,0|3,0,1]=4 708 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [0,0,0,0,0,0|3,0,1]=4 709 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,0,0,0,0,0|3,0,1]=4 710 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,0,0,0,0,0|3,0,1]=4 711 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [0,0,0,0,0,0|3,0,1]=4 712 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [0,0,0,0,0,0|3,0,1]=4 713 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [0,0,0,0,0,0|3,0,1]=4 714 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [0,0,0,0,0,0|3,0,1]=4 715 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [0,0,0,0,0,0|3,0,1]=4 716 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [0,0,0,0,0,0|3,0,1]=4 717 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [0,0,0,0,0,0|3,0,1]=4 718 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [0,0,0,0,0,0|3,0,1]=4 719 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,0,0,0,0,0|3,0,1]=4 720 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,0,0,0,0,0|3,0,1]=4 721 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [0,0,0,0,0,0|3,0,1]=4 722 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [0,0,0,0,0,0|3,0,1]=4 723 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,0,0,0,0,0|3,0,1]=4 724 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,0,0,0,0,0|3,0,1]=4 725 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [0,0,0,0,0,0|3,0,1]=4 726 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [0,0,0,0,0,0|3,0,1]=4 727 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,0,0,0,0,0|3,0,1]=4 728 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,0,0,0,0,0|3,0,1]=4 729 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,0,0,0,0,0|3,0,1]=4 730 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,0,0,0,0,0|3,0,1]=4 731 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [0,0,0,0,0,0|3,0,1]=4 732 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [0,0,0,0,0,0|3,0,1]=4 733 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [0,0,0,0,0,0|3,0,1]=4 734 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [0,0,0,0,0,0|3,0,1]=4 735 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [0,0,0,0,0,0|3,0,1]=4 736 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [0,0,0,0,0,0|3,0,1]=4 737 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [0,0,0,0,0,0|3,0,1]=4 738 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [0,0,0,0,0,0|3,0,1]=4 739 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [0,0,0,0,0,0|3,0,1]=4 740 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,0,0,0,0,0|3,0,1]=4 741 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,0,0,0,0,0|3,0,1]=4 742 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [0,0,0,0,0,0|3,0,1]=4 743 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [0,0,0,0,0,0|3,0,1]=4 744 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,0,0,0,0,0|3,0,1]=4 745 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,0,0,0,0,0|3,0,1]=4 746 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,0,0,0,0,0|3,0,1]=4 747 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,0,0,0,0,0|3,0,1]=4 748 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,0,0,0,0,0|3,0,1]=4 749 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [0,0,0,0,0,0|3,0,1]=4 750 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [0,0,0,0,0,0|3,0,1]=4 751 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [0,0,0,0,0,0|3,0,1]=4 752 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [0,0,0,0,0,0|3,0,1]=4 753 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [0,0,0,0,0,0|3,0,1]=4 754 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [0,0,0,0,0,0|3,0,1]=4 755 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [0,0,0,0,0,0|3,0,1]=4 756 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [0,0,0,0,0,0|3,0,1]=4 757 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [0,0,0,0,0,0|3,0,1]=4 758 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,0,0,0,0,0|3,0,1]=4 759 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,0,0,0,0,0|3,0,1]=4 760 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [0,0,0,0,0,0|3,0,1]=4 761 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [0,0,0,0,0,0|3,0,1]=4 762 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,0,0,0,0,0|3,0,1]=4 763 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,0,0,0,0,0|3,0,1]=4 764 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [0,0,0,0,0,0|3,0,1]=4 765 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [0,0,0,0,0,0|3,0,1]=4 766 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,0,0,0,0,0|3,0,1]=4 767 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,0,0,0,0,0|3,0,1]=4 768 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,0,0,0,0,0|3,0,1]=4 769 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,0,0,0,0,0|3,0,1]=4 770 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,0,0,0,0,0|3,0,1]=4 771 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,0,0,0,0,0|3,0,1]=4 772 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,0,0,0,0,0|3,0,1]=4 773 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,0,0,0,0,0|3,0,1]=4 774 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,0,0,0,0,0|3,0,1]=4 775 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,0,0,0,0,0|3,0,1]=4 776 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,0,0,0,0,0|3,0,1]=4 777 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,0,0,0,0,0|3,0,1]=4 778 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,0,0,0,0,0|3,0,1]=4 779 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,0,0,0,0,0|3,0,1]=4 780 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [0,0,0,0,0,0|3,0,1]=4 781 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [0,0,0,0,0,0|3,0,1]=4 782 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,0,0,0,0,0|3,0,1]=4 783 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,0,0,0,0,0|3,0,1]=4 784 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,0,0,0,0,0|3,0,1]=4 785 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,0,0,0,0,0|3,0,1]=4 786 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,0,0,0,0,0|3,0,1]=4 787 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,0,0,0,0,0|3,0,1]=4 788 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,0,0,0,0,0|3,0,1]=4 789 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,0,0,0,0,0|3,0,1]=4 790 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,0,0,0,0,0|3,0,1]=4 791 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,0,0,0,0,0|3,0,1]=4 792 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,0,0,0,0,0|3,0,1]=4 793 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,0,0,0,0,0|3,0,1]=4 794 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,0,0,0,0,0|3,0,1]=4 795 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,0,0,0,0,0|3,0,1]=4 796 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,0,0,0,0,0|2,0,2]=4 797 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,0,0,0,0,0|2,0,2]=4 798 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,0,0,0,0,0|2,0,2]=4 799 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,0,0,0,0,0|2,0,2]=4 800 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,0,0,0,0,0|2,0,2]=4 801 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,0,0,0,0,0|2,0,2]=4 802 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,0,0,0,0,0|2,0,2]=4 803 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,0,0,0,0,0|2,0,2]=4 804 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,0,0,0,0,0|2,0,2]=4 805 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,0,0,0,0,0|2,0,2]=4 806 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,0,0,0,0,0|2,0,2]=4 807 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,0,0,0,0,0|2,0,2]=4 808 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,0,0,0,0,0|2,0,2]=4 809 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,0,0,0,0,0|2,0,2]=4 810 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,0,0,0,0,0|2,0,2]=4 811 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,0,0,0,0,0|2,0,2]=4 812 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,0,0,0,0,0|2,0,2]=4 813 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,0,0,0,0,0|2,0,2]=4 814 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,0,0,0,0,0|2,0,2]=4 815 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,0,0,0,0,0|2,0,2]=4 816 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,0,0,0,0,0|2,0,2]=4 817 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,0,0,0,0,0|2,0,2]=4 818 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,0,0,0,0,0|2,0,2]=4 819 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,0,0,0,0,0|2,0,2]=4 820 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,0,0,0,0,0|2,0,2]=4 821 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,0,0,0,0,0|2,0,2]=4 822 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,0,0,0,0,0|2,0,2]=4 823 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,0,0,0,0,0|2,0,2]=4 824 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,0,0,0,0,0|2,0,2]=4 825 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,0,0,0,0,0|2,0,2]=4 826 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,0,0,0,0,0|2,0,2]=4 827 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,0,0,0,0,0|2,0,2]=4 828 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,0,0,0,0,0|2,0,2]=4 829 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,0,0,0,0,0|2,0,2]=4 830 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,0,0,0,0,0|2,0,2]=4 831 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,0,0,0,0,0|2,0,2]=4 832 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,0,0,0,0,0|2,0,2]=4 833 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,0,0,0,0,0|2,0,2]=4 834 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,0,0,0,0,0|2,0,2]=4 835 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,0,0,0,0,0|2,0,2]=4 836 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,0,0,0,0,0|2,0,2]=4 837 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,0,0,0,0,0|2,0,2]=4 838 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,0,0,0,0,0|2,0,2]=4 839 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,0,0,0,0,0|2,0,2]=4 840 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,0,0,0,0,0|2,0,2]=4 841 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,0,0,0,0,0|2,0,2]=4 842 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,0,0,0,0,0|2,0,2]=4 843 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,0,0,0,0,0|2,0,2]=4 844 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,0,0,0,0,0|1,0,2]=3 845 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,0,0,0,0,0|1,0,2]=3 846 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,0,0,0,0,0|1,0,2]=3 847 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,0,0,0,0,0|2,0,2]=4 848 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,0,0,0,0,0|2,0,2]=4 849 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,0,0,0,0,0|2,0,2]=4 850 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,0,0,0,0,0|2,0,2]=4 851 B11R0.148 CC/C=C\CCOCOC(=O)C 34a_100016288707_100009813279 [0,0,0,0,0,0|2,0,2]=4 852 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,0,0,0,0,0|1,0,2]=3 853 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,0,0,0,0,0|1,0,2]=3 854 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,0,0,0,0,0|2,0,2]=4 855 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,0,0,0,0,0|2,0,2]=4 856 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100000076356_100015370543 [0,0,0,0,0,0|2,0,2]=4 857 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100015370543_100000076356 [0,0,0,0,0,0|2,0,2]=4 858 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,0,0,0,0,0|2,0,2]=4 859 B11R0.148 CC/C=C\CNCCCS(=O)C 2230a_200000753449_100103147603 [0,0,0,0,0,0|2,0,2]=4 860 B11R0.148 CC/C=C\CNCCNC(=O)C 2230a_100000209853_100103147603 [0,0,0,0,0,0|2,0,2]=4 861 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,0,0,0,0,0|1,0,2]=3 862 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,0,0,0,0,0|1,0,2]=3 863 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,0,0,0,0,0|1,0,2]=3 864 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,0,0,0,0,0|2,0,2]=4 865 B11R0.148 CC/C=C\COCCNC(=O)C 34a_100000158858_100103147603 [0,0,0,0,0,0|2,0,2]=4 866 B11R0.148 CC/C=C\COCCOC(=O)C 34a_100016268518_100009814007 [0,0,0,0,0,0|2,0,2]=4 867 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,0,0,0,0,0|1,0,2]=3 868 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,0,0,0,0,0|1,0,2]=3 869 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,0,0,0,0,0|2,0,2]=4 870 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,0,0,0,0,0|2,0,2]=4 871 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100000189650_100103147603 [0,0,0,0,0,0|2,0,2]=4 872 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100103147603_100000189650 [0,0,0,0,0,0|2,0,2]=4 873 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100009814007_100103147603 [0,0,0,0,0,0|2,0,2]=4 874 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100103147603_100009814007 [0,0,0,0,0,0|2,0,2]=4 875 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,0,0,0,0,0|2,0,2]=4 876 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [0,0,0,0,0,0|2,0,2]=4 877 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,0,0,0,0,0|2,0,2]=4 878 B11R0.148 CC=CCNCCCNC(=O)C 34a_100000736810_100000070051 [0,0,0,0,0,0|2,0,2]=4 879 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,0,0,0,0,0|2,0,2]=4 880 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,0,0,0,0,0|2,0,2]=4 881 B11R0.148 CC=CCOCCCNC(=O)C 34a_100000752032_100000070051 [0,0,0,0,0,0|2,0,2]=4 882 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,0,0,0,0,0|1,0,2]=3 883 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,0,0,0,0,0|1,0,2]=3 884 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000042594_100000070051 [0,0,0,0,0,0|2,0,2]=4 885 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000070051_100000042594 [0,0,0,0,0,0|2,0,2]=4 886 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000038929_100000070051 [0,0,0,0,0,0|2,0,2]=4 887 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000070051_100000038929 [0,0,0,0,0,0|2,0,2]=4 888 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,0,0,0,0,0|1,0,2]=3 889 B11R0.148 CCC#CCCOCCC(=O)N 34a_100000036655_100000731001 [0,0,0,0,0,0|2,0,2]=4 890 B11R0.148 CCC#CCCOCCC(=O)N 7a_100000036655_100000744528 [0,0,0,0,0,0|2,0,2]=4 891 B11R0.148 CCC#CCCOCOC(=O)C 34a_100000036655_100009813279 [0,0,0,0,0,0|2,0,2]=4 892 B11R0.148 CCC#CCNCCCC(=O)N 34a_100000739312_100009813939 [0,0,0,0,0,0|2,0,2]=4 893 B11R0.148 CCC#CCNCCCS(=O)C 2230a_200000753449_100009813939 [0,0,0,0,0,0|2,0,2]=4 894 B11R0.148 CCC#CCNCCNC(=O)C 2230a_100000209853_100009813939 [0,0,0,0,0,0|2,0,2]=4 895 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,0,0,0,0,0|1,0,2]=3 896 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,0,0,0,0,0|1,0,2]=3 897 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,0,0,0,0,0|1,0,2]=3 898 B11R0.148 CCC#CCOCCCC(=O)N 34a_100000032950_100102525003 [0,0,0,0,0,0|2,0,2]=4 899 B11R0.148 CCC#CCOCCNC(=O)C 34a_100000158858_100009813939 [0,0,0,0,0,0|2,0,2]=4 900 B11R0.148 CCC#CCOCCOC(=O)C 34a_100000032950_100009814007 [0,0,0,0,0,0|2,0,2]=4 901 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,0,0,0,0,0|1,0,2]=3 902 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,0,0,0,0,0|1,0,2]=3 903 B11R0.148 CCC#CCSCCCC(=O)N 62a_100009813939_100102525003 [0,0,0,0,0,0|2,0,2]=4 904 B11R0.148 CCC#CCSCCCC(=O)N 62a_100102525003_100009813939 [0,0,0,0,0,0|2,0,2]=4 905 B11R0.148 CCC#CCSCCNC(=O)C 62a_100000189650_100009813939 [0,0,0,0,0,0|2,0,2]=4 906 B11R0.148 CCC#CCSCCNC(=O)C 62a_100009813939_100000189650 [0,0,0,0,0,0|2,0,2]=4 907 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009813939_100009814007 [0,0,0,0,0,0|2,0,2]=4 908 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009814007_100009813939 [0,0,0,0,0,0|2,0,2]=4 909 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,0,0,0,0,0|1,0,2]=3 910 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,0,0,0,0,0|2,0,2]=4 911 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,0,0,0,0,0|2,0,2]=4 912 B11R0.148 CCC/C=C/COCOC(=O)C 34a_100016278788_100009813279 [0,0,0,0,0,0|2,0,2]=4 913 B11R0.148 CCCC#CCCOCC(=O)N 34a_100000042726_100000187820 [0,0,0,0,0,0|2,0,2]=4 914 B11R0.148 CCCC#CCCOCC(=O)N 7a_100000042726_100000187820 [0,0,0,0,0,0|2,0,2]=4 915 B11R0.148 CCCC#CCCOCC(=O)[O-] 34a_100000042726_100020667443 [0,0,0,0,0,0|2,0,2]=4 916 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,0,0,0,0,0|1,0,2]=3 917 B11R0.148 CCCC#CCOCCC(=O)N 34a_100000034806_100000731001 [0,0,0,0,0,0|2,0,2]=4 918 B11R0.148 CCCC#CCOCCC(=O)N 7a_100000034806_100000744528 [0,0,0,0,0,0|2,0,2]=4 919 B11R0.148 CCCC#CCOCOC(=O)C 34a_100000034806_100009813279 [0,0,0,0,0,0|2,0,2]=4 920 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,0,0,0,0,0|2,0,2]=4 921 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,0,0,0,0,0|2,0,2]=4 922 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,0,0,0,0,0|2,0,2]=4 923 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,0,0,0,0,0|0,0,2]=2 924 B11R0.148 CCCCC#CCCCN(C)C 2230a_100102631434_200000047210 [0,0,0,0,0,0|2,0,2]=4 925 B11R0.148 CCCCC#CCCCN(C)C 269982a_100102631434_200000047210 [0,0,0,0,0,0|2,0,2]=4 926 B11R0.148 CCCCC#CCOCC(=O)N 34a_200000034558_100000187820 [0,0,0,0,0,0|2,0,2]=4 927 B11R0.148 CCCCC#CCOCC(=O)N 7a_200000034558_100000187820 [0,0,0,0,0,0|2,0,2]=4 928 B11R0.148 CCCCC#CCOCC(=O)[O-] 34a_200000034558_100020667443 [0,0,0,0,0,0|2,0,2]=4 929 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,0,0,0,0,0|0,0,2]=2 930 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,0,0,0,0,0|0,0,2]=2 931 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,0,0,0,0,0|0,0,2]=2 932 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,0,0,0,0,0|0,0,2]=2 933 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,0,0,0,0,0|2,0,1]=3 934 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,0,0,0,0,0|0,0,2]=2 935 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,0,0,0,0,0|0,0,2]=2 936 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,0,0,0,0,0|0,0,0]=0 937 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,0,0,0,0,0|0,0,0]=0 938 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,0,0,0,0,0|0,0,0]=0 939 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,0,0,0,0,0|2,0,0]=2 940 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,0,0,0,0,0|2,0,0]=2 941 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,0,0,0,0,0|2,0,0]=2 942 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,0,0,0,0,0|2,0,0]=2 943 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,0,0,0,0,0|2,0,0]=2 944 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,0,0,0,0,0|2,0,0]=2 945 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,0,0,0,0,0|1,0,0]=1 946 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,0,0,0,0,0|1,0,0]=1 947 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,0,0,0,0,0|1,0,0]=1 948 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,0,0,0,0,0|1,0,0]=1 949 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,0,0,0,0,0|2,0,1]=3 950 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,0,0,0,0,0|2,0,1]=3 951 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,0,0,0,0,0|2,0,1]=3 952 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,0,0,0,0,0|2,0,1]=3 953 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,0,0,0,0,0|2,0,1]=3 954 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,0,0,0,0,0|2,0,1]=3 955 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,0,0,0,0,0|2,0,1]=3 956 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,0,0,0,0,0|2,0,1]=3 957 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,0,0,0,0,0|2,0,1]=3 958 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,0,0,0,0,0|2,0,0]=2 959 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,0,0,0,0,0|2,0,0]=2 960 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,0,0,0,0,0|2,0,0]=2 961 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,0,0,0,0,0|2,0,1]=3 962 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,0,0,0,0,0|2,0,1]=3 963 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,0,0,0,0,0|2,0,1]=3 964 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,0,0,0,0,0|2,0,1]=3 965 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,0,0,0,0,0|1,0,2]=3 966 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,0,0,0,0,0|1,0,2]=3 967 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,0,0,0,0,0|1,0,2]=3 968 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,0,0,0,0,0|3,0,1]=4 969 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,0,0,0,0,0|3,0,1]=4 970 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,0,0,0,0,0|1,0,2]=3 971 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,0,0,0,0,0|1,0,0]=1 972 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,0,0,0,0,0|2,0,0]=2 973 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,0,0,0,0,0|2,0,0]=2 974 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,0,0,0,0,0|2,0,0]=2 975 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,0,0,0,0,0|2,0,1]=3 976 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,0,0,0,0,0|2,0,1]=3 977 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,0,0,0,0,0|2,0,1]=3 978 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,0,0,0,0,0|2,0,1]=3 979 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,0,0,0,0,0|2,0,1]=3 980 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,0,0,0,0,0|1,0,2]=3 981 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,0,0,0,0,0|1,0,2]=3 982 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,0,0,0,0,0|3,0,1]=4 983 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,0,0,0,0,0|3,0,1]=4 984 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,0,0,0,0,0|3,0,1]=4 985 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,0,0,0,0,0|2,0,1]=3 986 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,0,0,0,0,0|2,0,1]=3 987 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,0,0,0,0,0|1,0,2]=3 988 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,0,0,0,0,0|1,0,2]=3 989 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,0,0,0,0,0|3,0,0]=3 990 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,0,0,0,0,0|2,0,0]=2 991 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,0,0,0,0,0|2,0,0]=2 992 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,0,0,0,0,0|2,0,0]=2 993 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,0,0,0,0,0|2,0,0]=2 994 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,0,0,0,0,0|2,0,1]=3 995 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,0,0,0,0,0|2,0,1]=3 996 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,0,0,0,0,0|1,0,2]=3 997 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,0,0,0,0,0|1,0,2]=3 998 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,0,0,0,0,0|3,0,1]=4 999 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,0,0,0,0,0|3,0,1]=4 1000 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,0,0,0,0,0|1,0,2]=3 1001 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,0,0,0,0,0|1,0,2]=3 1002 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,0,0,0,0,0|3,0,0]=3 1003 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,0,0,0,0,0|2,0,1]=3 1004 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,0,0,0,0,0|2,0,1]=3 1005 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,0,0,0,0,0|2,0,0]=2 1006 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,0,0,0,0,0|2,0,1]=3 1007 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,0,0,0,0,0|2,0,1]=3 1008 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,0,0,0,0,0|1,0,2]=3 1009 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,0,0,0,0,0|1,0,2]=3 1010 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [0,0,0,0,0,0|3,0,1]=4 1011 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,0,0,0,0,0|3,0,0]=3 1012 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,0,0,0,0,0|2,0,1]=3 1013 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,0,0,0,0,0|2,0,1]=3 1014 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,0,0,0,0,0|2,0,1]=3 1015 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,0,0,0,0,0|1,0,0]=1 1016 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,0,0,0,0,0|1,0,0]=1 1017 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,0,0,0,0,0|1,0,0]=1 1018 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,0,0,0,0,0|2,0,0]=2 1019 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,0,0,0,0,0|2,0,0]=2 1020 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,0,0,0,0,0|2,0,0]=2 1021 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,0,0,0,0,0|2,0,0]=2 1022 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,0,0,0,0,0|2,0,1]=3 1023 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,0,0,0,0,0|2,0,1]=3 1024 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,0,0,0,0,0|2,0,1]=3 1025 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,0,0,0,0,0|2,0,1]=3 1026 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,0,0,0,0,0|2,0,1]=3 1027 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,0,0,0,0,0|1,0,2]=3 1028 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,0,0,0,0,0|1,0,2]=3 1029 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,0,0,0,0,0|3,0,1]=4 1030 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,0,0,0,0,0|3,0,0]=3 1031 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,0,0,0,0,0|2,0,1]=3 1032 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,0,0,0,0,0|2,0,0]=2 1033 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [0,0,0,0,0,0|3,0,1]=4 1034 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,0,0,0,0,0|2,0,1]=3 1035 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,0,0,0,0,0|2,0,1]=3 1036 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,0,0,0,0,0|1,0,0]=1 1037 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,0,0,0,0,0|1,0,0]=1 1038 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,0,0,0,0,0|2,0,0]=2 1039 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,0,0,0,0,0|2,0,0]=2 1040 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,0,0,0,0,0|2,0,1]=3 1041 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,0,0,0,0,0|2,0,1]=3 1042 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,0,0,0,0,0|1,0,2]=3 1043 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,0,0,0,0,0|1,0,2]=3 1044 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,0,0,0,0,0|3,0,0]=3 1045 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,0,0,0,0,0|2,0,0]=2 1046 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,0,0,0,0,0|2,0,0]=2 1047 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [0,0,0,0,0,0|3,0,1]=4 1048 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [0,0,0,0,0,0|3,0,1]=4 1049 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,0,0,0,0,0|2,0,1]=3 1050 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,0,0,0,0,0|3,0,1]=4 1051 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,0,0,0,0,0|2,0,0]=2 1052 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,0,0,0,0,0|2,0,1]=3 1053 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,0,0,0,0,0|2,0,1]=3 1054 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,0,0,0,0,0|2,0,1]=3 1055 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,0,0,0,0,0|1,0,2]=3 1056 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,0,0,0,0,0|2,0,0]=2 1057 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,0,0,0,0,0|2,0,0]=2 1058 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,0,0,0,0,0|2,0,0]=2 1059 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,0,0,0,0,0|3,0,0]=3 1060 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,0,0,0,0,0|3,0,0]=3 1061 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [0,0,0,0,0,0|3,0,1]=4 1062 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [0,0,0,0,0,0|3,0,1]=4 1063 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [0,0,0,0,0,0|3,0,1]=4 1064 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [0,0,0,0,0,0|3,0,1]=4 1065 B11R0.148 CCCCCNCCSC(C)C 2230a_100000209983_100000730970 [0,0,0,0,0,0|3,0,1]=4 1066 B11R0.148 CCCCCNCCSC(C)C 2230a_100000731138_100000210326 [0,0,0,0,0,0|3,0,1]=4 1067 B11R0.148 CCCCCNCCSC(C)C 34a_100000731138_100000718602 [0,0,0,0,0,0|3,0,1]=4 1068 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,0,0,0,0,0|2,0,1]=3 1069 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,0,0,0,0,0|2,0,1]=3 1070 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,0,0,0,0,0|3,0,1]=4 1071 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,0,0,0,0,0|3,0,1]=4 1072 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,0,0,0,0,0|1,0,0]=1 1073 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,0,0,0,0,0|1,0,0]=1 1074 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,0,0,0,0,0|1,0,0]=1 1075 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,0,0,0,0,0|1,0,0]=1 1076 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,0,0,0,0,0|2,0,0]=2 1077 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,0,0,0,0,0|2,0,0]=2 1078 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,0,0,0,0,0|2,0,1]=3 1079 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,0,0,0,0,0|2,0,1]=3 1080 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,0,0,0,0,0|2,0,1]=3 1081 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,0,0,0,0,0|2,0,1]=3 1082 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,0,0,0,0,0|1,0,2]=3 1083 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,0,0,0,0,0|1,0,2]=3 1084 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,0,0,0,0,0|3,0,0]=3 1085 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,0,0,0,0,0|3,0,0]=3 1086 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,0,0,0,0,0|2,0,0]=2 1087 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,0,0,0,0,0|2,0,0]=2 1088 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,0,0,0,0,0|3,0,0]=3 1089 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,0,0,0,0,0|3,0,0]=3 1090 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [0,0,0,0,0,0|3,0,1]=4 1091 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,0,0,0,0,0|2,0,0]=2 1092 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,0,0,0,0,0|2,0,0]=2 1093 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,0,0,0,0,0|3,0,0]=3 1094 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,0,0,0,0,0|3,0,0]=3 1095 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,0,0,0,0,0|3,0,0]=3 1096 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [0,0,0,0,0,0|3,0,1]=4 1097 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [0,0,0,0,0,0|3,0,1]=4 1098 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [0,0,0,0,0,0|3,0,1]=4 1099 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [0,0,0,0,0,0|3,0,1]=4 1100 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [0,0,0,0,0,0|3,0,1]=4 1101 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [0,0,0,0,0,0|3,0,1]=4 1102 B11R0.148 CCCCCOCCSC(C)C 34a_100000210253_100000730970 [0,0,0,0,0,0|3,0,1]=4 1103 B11R0.148 CCCCCOCCSC(C)C 34a_200011212901_100000718602 [0,0,0,0,0,0|3,0,1]=4 1104 B11R0.148 CCCCCOCCSC(C)C 7a_100000210253_100000730970 [0,0,0,0,0,0|3,0,1]=4 1105 B11R0.148 CCCCCOCCSC(C)C 7a_200011212901_100000210326 [0,0,0,0,0,0|3,0,1]=4 1106 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,0,0,0,0,0|2,0,1]=3 1107 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,0,0,0,0,0|2,0,1]=3 1108 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,0,0,0,0,0|3,0,1]=4 1109 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,0,0,0,0,0|3,0,1]=4 1110 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,0,0,0,0,0|1,0,0]=1 1111 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,0,0,0,0,0|1,0,0]=1 1112 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,0,0,0,0,0|2,0,0]=2 1113 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,0,0,0,0,0|2,0,0]=2 1114 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,0,0,0,0,0|2,0,1]=3 1115 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,0,0,0,0,0|2,0,1]=3 1116 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,0,0,0,0,0|1,0,2]=3 1117 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,0,0,0,0,0|1,0,2]=3 1118 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,0,0,0,0,0|3,0,0]=3 1119 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,0,0,0,0,0|2,0,0]=2 1120 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,0,0,0,0,0|2,0,0]=2 1121 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,0,0,0,0,0|3,0,0]=3 1122 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,0,0,0,0,0|3,0,0]=3 1123 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,0,0,0,0,0|2,0,0]=2 1124 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,0,0,0,0,0|2,0,0]=2 1125 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,0,0,0,0,0|3,0,0]=3 1126 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,0,0,0,0,0|3,0,0]=3 1127 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [0,0,0,0,0,0|3,0,1]=4 1128 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [0,0,0,0,0,0|3,0,1]=4 1129 B11R0.148 CCCCCSCCSC(C)C 62a_100000210326_100000730970 [0,0,0,0,0,0|3,0,1]=4 1130 B11R0.148 CCCCCSCCSC(C)C 62a_100000730970_100000210326 [0,0,0,0,0,0|3,0,1]=4 1131 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,0,0,0,0,0|3,0,1]=4 1132 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,0,0,0,0,0|3,0,1]=4 1133 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,0,0,0,0,0|1,0,0]=1 1134 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,0,0,0,0,0|2,0,0]=2 1135 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,0,0,0,0,0|2,0,1]=3 1136 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,0,0,0,0,0|2,0,1]=3 1137 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,0,0,0,0,0|2,0,0]=2 1138 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,0,0,0,0,0|2,0,0]=2 1139 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,0,0,0,0,0|2,1,0]=3 1140 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,0,0,0,0,0|2,1,0]=3 1141 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [0,0,0,0,0,0|3,0,1]=4 1142 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [0,0,0,0,0,0|3,0,1]=4 1143 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,0,0,0,0,0|2,0,0]=2 1144 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,0,0,0,0,0|2,0,0]=2 1145 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,0,0,0,0,0|3,0,0]=3 1146 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,0,0,0,0,0|3,0,0]=3 1147 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,0,0,0,0,0|3,0,0]=3 1148 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,0,0,0,0,0|3,0,1]=4 1149 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,0,0,0,0,0|3,0,1]=4 1150 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,0,0,0,0,0|1,0,0]=1 1151 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,0,0,0,0,0|1,0,0]=1 1152 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,0,0,0,0,0|2,0,0]=2 1153 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,0,0,0,0,0|2,0,0]=2 1154 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,0,0,0,0,0|2,0,1]=3 1155 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,0,0,0,0,0|2,0,1]=3 1156 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,0,0,0,0,0|2,0,1]=3 1157 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,0,0,0,0,0|2,0,1]=3 1158 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,0,0,0,0,0|3,0,0]=3 1159 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,0,0,0,0,0|3,0,0]=3 1160 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,0,0,0,0,0|2,0,0]=2 1161 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,0,0,0,0,0|2,0,0]=2 1162 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,0,0,0,0,0|2,0,0]=2 1163 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,0,0,0,0,0|2,0,0]=2 1164 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [0,0,0,0,0,0|3,0,1]=4 1165 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [0,0,0,0,0,0|3,0,1]=4 1166 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [0,0,0,0,0,0|3,0,1]=4 1167 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,0,0,0,0,0|2,0,0]=2 1168 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,0,0,0,0,0|2,0,0]=2 1169 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,0,0,0,0,0|2,1,0]=3 1170 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,0,0,0,0,0|2,1,0]=3 1171 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [0,0,0,0,0,0|3,0,1]=4 1172 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [0,0,0,0,0,0|3,0,1]=4 1173 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,0,0,0,0,0|2,0,0]=2 1174 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,0,0,0,0,0|2,0,0]=2 1175 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,0,0,0,0,0|3,0,0]=3 1176 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,0,0,0,0,0|3,0,0]=3 1177 B11R0.148 CCCCOCCNCC(C)C 2230a_100000210953_100000743108 [0,0,0,0,0,0|3,0,1]=4 1178 B11R0.148 CCCCOCCNCC(C)C 34a_100000210953_100000743108 [0,0,0,0,0,0|3,0,1]=4 1179 B11R0.148 CCCCOCCNCC(C)C 34a_100015185251_100000210210 [0,0,0,0,0,0|3,0,1]=4 1180 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,0,0,0,0,0|2,0,2]=4 1181 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,0,0,0,0,0|2,0,2]=4 1182 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,0,0,0,0,0|2,0,0]=2 1183 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,0,0,0,0,0|2,0,0]=2 1184 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,0,0,0,0,0|3,0,0]=3 1185 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,0,0,0,0,0|3,0,0]=3 1186 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,0,0,0,0,0|3,0,0]=3 1187 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,0,0,0,0,0|3,0,0]=3 1188 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,0,0,0,0,0|2,0,0]=2 1189 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,0,0,0,0,0|3,0,0]=3 1190 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [0,0,0,0,0,0|3,0,1]=4 1191 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [0,0,0,0,0,0|3,0,1]=4 1192 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [0,0,0,0,0,0|3,0,1]=4 1193 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [0,0,0,0,0,0|3,0,1]=4 1194 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [0,0,0,0,0,0|3,0,1]=4 1195 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [0,0,0,0,0,0|3,0,1]=4 1196 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [0,0,0,0,0,0|3,0,1]=4 1197 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,0,0,0,0,0|2,0,2]=4 1198 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,0,0,0,0,0|2,0,2]=4 1199 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [0,0,0,0,0,0|3,0,1]=4 1200 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [0,0,0,0,0,0|3,0,1]=4 1201 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,0,0,0,0,0|2,0,2]=4 1202 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,0,0,0,0,0|2,0,2]=4 1203 B11R0.148 CCCCOCCOC[N+](=O)[O-] 34a_100000210238_100000761209 [0,0,0,0,0,0|4,0,0]=4 1204 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,0,0,0,0,0|3,0,0]=3 1205 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,0,0,0,0,0|3,0,0]=3 1206 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,0,0,0,0,0|3,0,0]=3 1207 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,0,0,0,0,0|3,0,0]=3 1208 B11R0.148 CCCCOCCSCC(C)C 34a_200000230437_100000210210 [0,0,0,0,0,0|3,0,1]=4 1209 B11R0.148 CCCCOCCSCC(C)C 62a_100000210624_100000743108 [0,0,0,0,0,0|3,0,1]=4 1210 B11R0.148 CCCCOCCSCC(C)C 62a_100000743108_100000210760 [0,0,0,0,0,0|3,0,1]=4 1211 B11R0.148 CCCCOCCSCC(C)C 7a_200000230437_100000210211 [0,0,0,0,0,0|3,0,1]=4 1212 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,0,0,0,0,0|2,0,2]=4 1213 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,0,0,0,0,0|2,0,2]=4 1214 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,0,0,0,0,0|2,0,2]=4 1215 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,0,0,0,0,0|2,0,2]=4 1216 B11R0.148 CCCCOCCSC[N+](=O)[O-] 62a_100000743108_100000761209 [0,0,0,0,0,0|4,0,0]=4 1217 B11R0.148 CCCCOCNCC=C(C)C 34a_100000718196_100011995733 [0,0,0,0,0,0|3,0,1]=4 1218 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,0,0,0,0,0|2,0,2]=4 1219 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,0,0,0,0,0|4,0,0]=4 1220 B11R0.148 CCCCOCOCC=C(C)C 34a_100000753907_100011995733 [0,0,0,0,0,0|3,0,1]=4 1221 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,0,0,0,0,0|2,0,0]=2 1222 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,0,0,0,0,0|3,0,0]=3 1223 B11R0.148 CCCCOCOCCC(C)Br 34a_100009893172_100011995733 [0,0,0,0,0,0|3,0,1]=4 1224 B11R0.148 CCCCOCOCCC(C)C 34a_100000210254_100011995733 [0,0,0,0,0,0|3,0,1]=4 1225 B11R0.148 CCCCOCOCC[C@@H](C)N 34a_100000706166_100011995733 [0,0,0,0,0,0|3,0,1]=4 1226 B11R0.148 CCCCOCSCC=C(C)C 62a_100000761012_100011995733 [0,0,0,0,0,0|3,0,1]=4 1227 B11R0.148 CCCCOCSCC=C(C)C 62a_100011995733_100000761012 [0,0,0,0,0,0|3,0,1]=4 1228 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,0,0,0,0,0|2,0,0]=2 1229 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,0,0,0,0,0|2,0,0]=2 1230 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,0,0,0,0,0|3,0,0]=3 1231 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,0,0,0,0,0|3,0,0]=3 1232 B11R0.148 CCCCOCSCCC(C)C 62a_100000210312_100011995733 [0,0,0,0,0,0|3,0,1]=4 1233 B11R0.148 CCCCOCSCCC(C)C 62a_100011995733_100000210312 [0,0,0,0,0,0|3,0,1]=4 1234 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,0,0,0,0,0|2,0,2]=4 1235 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,0,0,0,0,0|2,0,2]=4 1236 B11R0.148 CCCCOCSCCN(C)C 62a_100011995733_100000755713 [0,0,0,0,0,0|4,0,0]=4 1237 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,0,0,0,0,0|3,0,0]=3 1238 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,0,0,0,0,0|3,0,0]=3 1239 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,0,0,0,0,0|3,0,1]=4 1240 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,0,0,0,0,0|3,0,1]=4 1241 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,0,0,0,0,0|1,0,0]=1 1242 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,0,0,0,0,0|1,0,0]=1 1243 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,0,0,0,0,0|2,0,1]=3 1244 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,0,0,0,0,0|2,0,1]=3 1245 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,0,0,0,0,0|3,0,0]=3 1246 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,0,0,0,0,0|2,0,0]=2 1247 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,0,0,0,0,0|2,0,0]=2 1248 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,0,0,0,0,0|2,1,0]=3 1249 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,0,0,0,0,0|2,1,0]=3 1250 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,0,0,0,0,0|2,0,0]=2 1251 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,0,0,0,0,0|2,0,0]=2 1252 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,0,0,0,0,0|3,0,0]=3 1253 B11R0.148 CCCCSCCNCC(C)C 2230a_100025743550_100000210760 [0,0,0,0,0,0|3,0,1]=4 1254 B11R0.148 CCCCSCCNCC(C)C 270004a_100025743550_100000210432 [0,0,0,0,0,0|3,0,1]=4 1255 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,0,0,0,0,0|2,0,2]=4 1256 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,0,0,0,0,0|2,0,2]=4 1257 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,0,0,0,0,0|3,0,0]=3 1258 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,0,0,0,0,0|3,0,0]=3 1259 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,0,0,0,0,0|3,0,0]=3 1260 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,0,0,0,0,0|3,0,0]=3 1261 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,0,0,0,0,0|3,0,0]=3 1262 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [0,0,0,0,0,0|3,0,1]=4 1263 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [0,0,0,0,0,0|3,0,1]=4 1264 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,0,0,0,0,0|2,0,2]=4 1265 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,0,0,0,0,0|2,0,2]=4 1266 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,0,0,0,0,0|2,0,2]=4 1267 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,0,0,0,0,0|2,0,2]=4 1268 B11R0.148 CCCCSCCOC[N+](=O)[O-] 34a_200000230436_100000761209 [0,0,0,0,0,0|4,0,0]=4 1269 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,0,0,0,0,0|2,0,1]=3 1270 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,0,0,0,0,0|2,0,1]=3 1271 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,0,0,0,0,0|2,0,0]=2 1272 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,0,0,0,0,0|2,0,0]=2 1273 B11R0.148 CCCNCCCOCC(C)C 2230a_100000205972_100000210303 [0,0,0,0,0,0|3,0,1]=4 1274 B11R0.148 CCCNCCCOCC(C)C 34a_100000205972_100000210303 [0,0,0,0,0,0|3,0,1]=4 1275 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,0,0,0,0,0|3,0,1]=4 1276 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,0,0,0,0,0|2,0,0]=2 1277 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,0,0,0,0,0|2,0,0]=2 1278 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,0,0,0,0,0|2,0,0]=2 1279 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,0,0,0,0,0|2,0,0]=2 1280 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,0,0,0,0,0|2,0,1]=3 1281 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,0,0,0,0,0|2,0,1]=3 1282 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,0,0,0,0,0|2,0,1]=3 1283 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [0,0,0,0,0,0|3,0,1]=4 1284 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,0,0,0,0,0|2,0,0]=2 1285 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,0,0,0,0,0|2,0,0]=2 1286 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,0,0,0,0,0|2,0,0]=2 1287 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,0,0,0,0,0|4,0,0]=4 1288 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,0,0,0,0,0|2,0,0]=2 1289 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,0,0,0,0,0|3,0,0]=3 1290 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,0,0,0,0,0|3,0,0]=3 1291 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,0,0,0,0,0|3,0,0]=3 1292 B11R0.148 CCCOCCCNCC(C)C 2230a_100011217757_100000210760 [0,0,0,0,0,0|3,0,1]=4 1293 B11R0.148 CCCOCCCNCC(C)C 270004a_100011217757_100000210432 [0,0,0,0,0,0|3,0,1]=4 1294 B11R0.148 CCCOCCCNCC(C)C 34a_100011217757_100000210624 [0,0,0,0,0,0|3,0,1]=4 1295 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,0,0,0,0,0|2,0,2]=4 1296 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,0,0,0,0,0|2,0,2]=4 1297 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,0,0,0,0,0|2,0,2]=4 1298 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,0,0,0,0,0|2,0,2]=4 1299 B11R0.148 CCCOCCCNC[N+](=O)[O-] 34a_100011217757_100000761209 [0,0,0,0,0,0|4,0,0]=4 1300 B11R0.148 CCCOCCNCC=C(C)C 2230a_100161115042_100000761012 [0,0,0,0,0,0|3,0,1]=4 1301 B11R0.148 CCCOCCNCC=C(C)C 34a_100000718196_100011215938 [0,0,0,0,0,0|3,0,1]=4 1302 B11R0.148 CCCOCCNCC=C(C)C 34a_100161115042_100000761012 [0,0,0,0,0,0|3,0,1]=4 1303 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,0,0,0,0,0|3,0,0]=3 1304 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,0,0,0,0,0|3,0,0]=3 1305 B11R0.148 CCCOCCNCCC(C)C 2230a_100161115042_100000210312 [0,0,0,0,0,0|3,0,1]=4 1306 B11R0.148 CCCOCCNCCC(C)C 269862a_100161115042_100000185833 [0,0,0,0,0,0|3,0,1]=4 1307 B11R0.148 CCCOCCNCCC(C)C 34a_100161115042_100000210312 [0,0,0,0,0,0|3,0,1]=4 1308 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,0,0,0,0,0|2,0,2]=4 1309 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,0,0,0,0,0|2,0,2]=4 1310 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,0,0,0,0,0|2,0,2]=4 1311 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,0,0,0,0,0|3,0,0]=3 1312 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,0,0,0,0,0|4,0,0]=4 1313 B11R0.148 CCCOCCOCC=C(C)C 34a_100000752267_100000761012 [0,0,0,0,0,0|3,0,1]=4 1314 B11R0.148 CCCOCCOCC=C(C)C 34a_100000753907_100011215938 [0,0,0,0,0,0|3,0,1]=4 1315 B11R0.148 CCCOCCOCC=C(C)C 7a_100000752267_100000761012 [0,0,0,0,0,0|3,0,1]=4 1316 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,0,0,0,0,0|2,0,0]=2 1317 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,0,0,0,0,0|2,0,0]=2 1318 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,0,0,0,0,0|2,0,0]=2 1319 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,0,0,0,0,0|3,0,0]=3 1320 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,0,0,0,0,0|3,0,0]=3 1321 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,0,0,0,0,0|3,0,0]=3 1322 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,0,0,0,0,0|3,0,0]=3 1323 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [0,0,0,0,0,0|3,0,1]=4 1324 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [0,0,0,0,0,0|3,0,1]=4 1325 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [0,0,0,0,0,0|3,0,1]=4 1326 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [0,0,0,0,0,0|3,0,1]=4 1327 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [0,0,0,0,0,0|3,0,1]=4 1328 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,0,0,0,0,0|2,0,2]=4 1329 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,0,0,0,0,0|2,0,2]=4 1330 B11R0.148 CCCOCCOCCN(C)C 7a_100000752267_100000755713 [0,0,0,0,0,0|4,0,0]=4 1331 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [0,0,0,0,0,0|3,0,1]=4 1332 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,0,0,0,0,0|3,0,0]=3 1333 B11R0.148 CCCOCCSCC=C(C)C 62a_100000761012_100011215938 [0,0,0,0,0,0|3,0,1]=4 1334 B11R0.148 CCCOCCSCC=C(C)C 62a_100011215938_100000761012 [0,0,0,0,0,0|3,0,1]=4 1335 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,0,0,0,0,0|2,0,0]=2 1336 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,0,0,0,0,0|2,0,0]=2 1337 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,0,0,0,0,0|3,0,0]=3 1338 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,0,0,0,0,0|3,0,0]=3 1339 B11R0.148 CCCOCCSCCC(C)C 62a_100000210312_100011215938 [0,0,0,0,0,0|3,0,1]=4 1340 B11R0.148 CCCOCCSCCC(C)C 62a_100011215938_100000210312 [0,0,0,0,0,0|3,0,1]=4 1341 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,0,0,0,0,0|2,0,2]=4 1342 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,0,0,0,0,0|2,0,2]=4 1343 B11R0.148 CCCOCCSCCN(C)C 62a_100011215938_100000755713 [0,0,0,0,0,0|4,0,0]=4 1344 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,0,0,0,0,0|3,0,0]=3 1345 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,0,0,0,0,0|3,0,0]=3 1346 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,0,0,0,0,0|3,0,0]=3 1347 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,0,0,0,0,0|3,0,1]=4 1348 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,0,0,0,0,0|3,0,1]=4 1349 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,0,0,0,0,0|2,0,0]=2 1350 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,0,0,0,0,0|2,0,0]=2 1351 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,0,0,0,0,0|2,0,1]=3 1352 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,0,0,0,0,0|2,0,1]=3 1353 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,0,0,0,0,0|2,0,0]=2 1354 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,0,0,0,0,0|2,0,0]=2 1355 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,0,0,0,0,0|4,0,0]=4 1356 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,0,0,0,0,0|2,0,0]=2 1357 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,0,0,0,0,0|2,0,0]=2 1358 B11R0.148 CCCSCCNCC=C(C)C 2230a_100020603323_100000761012 [0,0,0,0,0,0|3,0,1]=4 1359 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,0,0,0,0,0|3,0,0]=3 1360 B11R0.148 CCCSCCNCCC(C)C 2230a_100020603323_100000210312 [0,0,0,0,0,0|3,0,1]=4 1361 B11R0.148 CCCSCCNCCC(C)C 269862a_100020603323_100000185833 [0,0,0,0,0,0|3,0,1]=4 1362 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,0,0,0,0,0|2,0,2]=4 1363 B11R0.148 CCCSCCOCC=C(C)C 34a_200000230433_100000761012 [0,0,0,0,0,0|3,0,1]=4 1364 B11R0.148 CCCSCCOCC=C(C)C 7a_200000230433_100000761012 [0,0,0,0,0,0|3,0,1]=4 1365 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,0,0,0,0,0|2,0,0]=2 1366 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,0,0,0,0,0|3,0,0]=3 1367 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,0,0,0,0,0|3,0,0]=3 1368 B11R0.148 CCCSCCOCCC(C)C 34a_200000230433_100000210312 [0,0,0,0,0,0|3,0,1]=4 1369 B11R0.148 CCCSCCOCCC(C)C 7a_200000230433_100000210626 [0,0,0,0,0,0|3,0,1]=4 1370 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,0,0,0,0,0|2,0,2]=4 1371 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,0,0,0,0,0|2,0,2]=4 1372 B11R0.148 CCCSCCOCCN(C)C 7a_200000230433_100000755713 [0,0,0,0,0,0|4,0,0]=4 1373 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,0,0,0,0,0|3,0,0]=3 1374 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,0,0,0,0,0|3,0,0]=3 1375 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,0,0,0,0,0|3,0,0]=3 1376 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,0,0,0,0,0|3,0,1]=4 1377 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,0,0,0,0,0|2,0,1]=3 1378 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,0,0,0,0,0|2,0,1]=3 1379 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,0,0,0,0,0|2,0,0]=2 1380 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,0,0,0,0,0|2,0,0]=2 1381 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,0,0,0,0,0|2,0,0]=2 1382 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,0,0,0,0,0|3,0,0]=3 1383 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,0,0,0,0,0|3,0,1]=4 1384 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [0,0,0,0,0,0|3,0,1]=4 1385 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,0,0,0,0,0|2,0,0]=2 1386 B11R0.148 CCOCCCNCC=C(C)C 2230a_100000210961_100000761012 [0,0,0,0,0,0|3,0,1]=4 1387 B11R0.148 CCOCCCNCC=C(C)C 34a_100000210961_100000761012 [0,0,0,0,0,0|3,0,1]=4 1388 B11R0.148 CCOCCCNCC=C(C)C 34a_100000718196_100012232248 [0,0,0,0,0,0|3,0,1]=4 1389 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,0,0,0,0,0|3,0,0]=3 1390 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,0,0,0,0,0|3,0,0]=3 1391 B11R0.148 CCOCCCNCCC(C)C 2230a_100000210961_100000210312 [0,0,0,0,0,0|3,0,1]=4 1392 B11R0.148 CCOCCCNCCC(C)C 269862a_100000210961_100000185833 [0,0,0,0,0,0|3,0,1]=4 1393 B11R0.148 CCOCCCNCCC(C)C 34a_100000210961_100000210312 [0,0,0,0,0,0|3,0,1]=4 1394 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,0,0,0,0,0|2,0,2]=4 1395 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,0,0,0,0,0|2,0,2]=4 1396 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,0,0,0,0,0|2,0,2]=4 1397 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,0,0,0,0,0|3,0,0]=3 1398 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,0,0,0,0,0|4,0,0]=4 1399 B11R0.148 CCOCCCOCC=C(C)C 34a_100000753907_100012232248 [0,0,0,0,0,0|3,0,1]=4 1400 B11R0.148 CCOCCCOCC=C(C)C 34a_100000757476_100000761012 [0,0,0,0,0,0|3,0,1]=4 1401 B11R0.148 CCOCCCOCC=C(C)C 7a_100000757476_100000761012 [0,0,0,0,0,0|3,0,1]=4 1402 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,0,0,0,0,0|2,0,0]=2 1403 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,0,0,0,0,0|2,0,0]=2 1404 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,0,0,0,0,0|2,0,0]=2 1405 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,0,0,0,0,0|3,0,0]=3 1406 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,0,0,0,0,0|3,0,0]=3 1407 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,0,0,0,0,0|3,0,0]=3 1408 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,0,0,0,0,0|3,0,0]=3 1409 B11R0.148 CCOCCCOCCC(C)Br 34a_100009893172_100012232248 [0,0,0,0,0,0|3,0,1]=4 1410 B11R0.148 CCOCCCOCCC(C)C 34a_100000210254_100012232248 [0,0,0,0,0,0|3,0,1]=4 1411 B11R0.148 CCOCCCOCCC(C)C 34a_100000757476_100000210312 [0,0,0,0,0,0|3,0,1]=4 1412 B11R0.148 CCOCCCOCCC(C)C 7a_100000210254_100012232248 [0,0,0,0,0,0|3,0,1]=4 1413 B11R0.148 CCOCCCOCCC(C)C 7a_100000757476_100000210626 [0,0,0,0,0,0|3,0,1]=4 1414 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,0,0,0,0,0|2,0,2]=4 1415 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,0,0,0,0,0|2,0,2]=4 1416 B11R0.148 CCOCCCOCCN(C)C 7a_100000757476_100000755713 [0,0,0,0,0,0|4,0,0]=4 1417 B11R0.148 CCOCCCOCC[C@@H](C)N 34a_100000706166_100012232248 [0,0,0,0,0,0|3,0,1]=4 1418 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,0,0,0,0,0|3,0,0]=3 1419 B11R0.148 CCOCCCSCC=C(C)C 62a_100000761012_100012232248 [0,0,0,0,0,0|3,0,1]=4 1420 B11R0.148 CCOCCCSCC=C(C)C 62a_100012232248_100000761012 [0,0,0,0,0,0|3,0,1]=4 1421 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,0,0,0,0,0|2,0,0]=2 1422 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,0,0,0,0,0|2,0,0]=2 1423 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,0,0,0,0,0|3,0,0]=3 1424 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,0,0,0,0,0|3,0,0]=3 1425 B11R0.148 CCOCCCSCCC(C)C 62a_100000210312_100012232248 [0,0,0,0,0,0|3,0,1]=4 1426 B11R0.148 CCOCCCSCCC(C)C 62a_100012232248_100000210312 [0,0,0,0,0,0|3,0,1]=4 1427 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,0,0,0,0,0|2,0,2]=4 1428 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,0,0,0,0,0|2,0,2]=4 1429 B11R0.148 CCOCCCSCCN(C)C 62a_100012232248_100000755713 [0,0,0,0,0,0|4,0,0]=4 1430 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,0,0,0,0,0|3,0,0]=3 1431 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,0,0,0,0,0|3,0,0]=3 1432 B11R0.148 CCOCCNCCC=C(C)C 2230a_102516460346_100011217483 [0,0,0,0,0,0|3,0,1]=4 1433 B11R0.148 CCOCCNCCC=C(C)C 34a_102516460346_100011217483 [0,0,0,0,0,0|3,0,1]=4 1434 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,0,0,0,0,0|2,0,0]=2 1435 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,0,0,0,0,0|3,0,0]=3 1436 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,0,0,0,0,0|3,0,0]=3 1437 B11R0.148 CCOCCNCCCC(C)C 2230a_102516460346_100011214892 [0,0,0,0,0,0|3,0,1]=4 1438 B11R0.148 CCOCCNCCCC(C)C 2230a_200000737386_100011215890 [0,0,0,0,0,0|3,0,1]=4 1439 B11R0.148 CCOCCNCCCC(C)C 34a_102516460346_100011214892 [0,0,0,0,0,0|3,0,1]=4 1440 B11R0.148 CCOCCNCCCC(C)C 34a_200000737386_100000210147 [0,0,0,0,0,0|3,0,1]=4 1441 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,0,0,0,0,0|2,0,2]=4 1442 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,0,0,0,0,0|2,0,2]=4 1443 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,0,0,0,0,0|3,0,0]=3 1444 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,0,0,0,0,0|3,0,0]=3 1445 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,0,0,0,0,0|3,0,0]=3 1446 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,0,0,0,0,0|4,0,0]=4 1447 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,0,0,0,0,0|4,0,0]=4 1448 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,0,0,0,0,0|3,0,0]=3 1449 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,0,0,0,0,0|4,0,0]=4 1450 B11R0.148 CCOCCOCCC=C(C)C 34a_100000210136_100011217483 [0,0,0,0,0,0|3,0,1]=4 1451 B11R0.148 CCOCCOCCC=C(C)C 7a_100000210136_100011217483 [0,0,0,0,0,0|3,0,1]=4 1452 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,0,0,0,0,0|2,0,0]=2 1453 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,0,0,0,0,0|2,0,0]=2 1454 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,0,0,0,0,0|2,0,0]=2 1455 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,0,0,0,0,0|2,0,0]=2 1456 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,0,0,0,0,0|3,0,0]=3 1457 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,0,0,0,0,0|3,0,0]=3 1458 B11R0.148 CCOCCOCCCC(C)C 34a_100000210136_100011214892 [0,0,0,0,0,0|3,0,1]=4 1459 B11R0.148 CCOCCOCCCC(C)C 34a_100000210774_100000210147 [0,0,0,0,0,0|3,0,1]=4 1460 B11R0.148 CCOCCOCCCC(C)C 7a_100000210136_100011214892 [0,0,0,0,0,0|3,0,1]=4 1461 B11R0.148 CCOCCOCCCC(C)C 7a_100000210774_100011215890 [0,0,0,0,0,0|3,0,1]=4 1462 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,0,0,0,0,0|2,0,2]=4 1463 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,0,0,0,0,0|2,0,2]=4 1464 B11R0.148 CCOCCOCCCN(C)C 7a_100000210136_100000757444 [0,0,0,0,0,0|4,0,0]=4 1465 B11R0.148 CCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000210147 [0,0,0,0,0,0|4,0,0]=4 1466 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,0,0,0,0,0|3,0,0]=3 1467 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,0,0,0,0,0|3,0,0]=3 1468 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,0,0,0,0,0|3,0,0]=3 1469 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,0,0,0,0,0|3,0,0]=3 1470 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,0,0,0,0,0|3,0,0]=3 1471 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,0,0,0,0,0|3,0,0]=3 1472 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,0,0,0,0,0|4,0,0]=4 1473 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,0,0,0,0,0|4,0,0]=4 1474 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,0,0,0,0,0|3,0,0]=3 1475 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,0,0,0,0,0|3,0,0]=3 1476 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,0,0,0,0,0|3,0,0]=3 1477 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,0,0,0,0,0|4,0,0]=4 1478 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,0,0,0,0,0|4,0,0]=4 1479 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,0,0,0,0,0|4,0,0]=4 1480 B11R0.148 CCOCCSCCC=C(C)C 62a_100000210147_100011217483 [0,0,0,0,0,0|3,0,1]=4 1481 B11R0.148 CCOCCSCCC=C(C)C 62a_100011217483_100011215890 [0,0,0,0,0,0|3,0,1]=4 1482 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,0,0,0,0,0|2,0,0]=2 1483 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,0,0,0,0,0|2,0,0]=2 1484 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,0,0,0,0,0|3,0,0]=3 1485 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,0,0,0,0,0|3,0,0]=3 1486 B11R0.148 CCOCCSCCCC(C)C 62a_100000210147_100011214892 [0,0,0,0,0,0|3,0,1]=4 1487 B11R0.148 CCOCCSCCCC(C)C 62a_100011214892_100011215890 [0,0,0,0,0,0|3,0,1]=4 1488 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,0,0,0,0,0|2,0,2]=4 1489 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,0,0,0,0,0|2,0,2]=4 1490 B11R0.148 CCOCCSCCCN(C)C 62a_100000210147_100000757444 [0,0,0,0,0,0|4,0,0]=4 1491 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,0,0,0,0,0|3,0,0]=3 1492 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,0,0,0,0,0|3,0,0]=3 1493 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,0,0,0,0,0|4,0,0]=4 1494 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,0,0,0,0,0|4,0,0]=4 1495 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,0,0,0,0,0|3,0,0]=3 1496 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,0,0,0,0,0|3,0,0]=3 1497 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,0,0,0,0,0|4,0,0]=4 1498 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,0,0,0,0,0|4,0,0]=4 1499 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,0,0,0,0,0|4,0,0]=4 1500 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,0,0,0,0,0|2,0,0]=2 1501 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,0,0,0,0,0|2,0,0]=2 1502 B11R0.148 CCOCSCCCCC(C)C 62a_100000739092_100011216152 [0,0,0,0,0,0|3,0,1]=4 1503 B11R0.148 CCOCSCCCCC(C)C 62a_100011216152_100000739092 [0,0,0,0,0,0|3,0,1]=4 1504 B11R0.148 CCOCSCCCCN(C)C 62a_100000739092_100000690147 [0,0,0,0,0,0|4,0,0]=4 1505 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,0,0,0,0,0|3,0,0]=3 1506 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,0,0,0,0,0|3,0,0]=3 1507 B11R0.148 CCOCSCCCOC(=S)C 62a_100000739092_200135323944 [0,0,0,0,0,0|3,1,0]=4 1508 B11R0.148 CCOCSCCCOC(=S)C 62a_200135323944_100000739092 [0,0,0,0,0,0|3,1,0]=4 1509 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,0,0,0,0,0|3,0,0]=3 1510 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,0,0,0,0,0|3,0,0]=3 1511 B11R0.148 CCOCSCCOCC(=O)N 62a_100000076697_100000739092 [0,0,0,0,0,0|4,0,0]=4 1512 B11R0.148 CCOCSCCOCC(=O)N 62a_100000739092_100000076697 [0,0,0,0,0,0|4,0,0]=4 1513 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,0,0,0,0,0|3,0,1]=4 1514 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,0,0,0,0,0|3,0,1]=4 1515 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,0,0,0,0,0|2,0,0]=2 1516 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,0,0,0,0,0|2,0,0]=2 1517 B11R0.148 CCSCCCOCC=C(C)C 34a_100011216438_100000761012 [0,0,0,0,0,0|3,0,1]=4 1518 B11R0.148 CCSCCCOCC=C(C)C 7a_100011216438_100000761012 [0,0,0,0,0,0|3,0,1]=4 1519 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,0,0,0,0,0|2,0,0]=2 1520 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,0,0,0,0,0|3,0,0]=3 1521 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,0,0,0,0,0|3,0,0]=3 1522 B11R0.148 CCSCCCOCCC(C)C 34a_100011216438_100000210312 [0,0,0,0,0,0|3,0,1]=4 1523 B11R0.148 CCSCCCOCCC(C)C 7a_100011216438_100000210626 [0,0,0,0,0,0|3,0,1]=4 1524 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,0,0,0,0,0|2,0,2]=4 1525 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,0,0,0,0,0|2,0,2]=4 1526 B11R0.148 CCSCCCOCCN(C)C 7a_100011216438_100000755713 [0,0,0,0,0,0|4,0,0]=4 1527 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,0,0,0,0,0|3,0,0]=3 1528 B11R0.148 CCSCCNCCC=C(C)C 2230a_100000106463_100011217483 [0,0,0,0,0,0|3,0,1]=4 1529 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,0,0,0,0,0|3,0,0]=3 1530 B11R0.148 CCSCCNCCCC(C)C 2230a_100000106463_100011214892 [0,0,0,0,0,0|3,0,1]=4 1531 B11R0.148 CCSCCNCCCC(C)C 2230a_200000737386_100000757381 [0,0,0,0,0,0|3,0,1]=4 1532 B11R0.148 CCSCCNCCCC(C)C 34a_200000737386_100000757381 [0,0,0,0,0,0|3,0,1]=4 1533 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,0,0,0,0,0|2,0,2]=4 1534 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,0,0,0,0,0|3,0,0]=3 1535 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,0,0,0,0,0|3,0,0]=3 1536 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,0,0,0,0,0|3,0,0]=3 1537 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,0,0,0,0,0|4,0,0]=4 1538 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,0,0,0,0,0|4,0,0]=4 1539 B11R0.148 CCSCCOCCC=C(C)C 34a_100000212035_100011217483 [0,0,0,0,0,0|3,0,1]=4 1540 B11R0.148 CCSCCOCCC=C(C)C 7a_100000212035_100011217483 [0,0,0,0,0,0|3,0,1]=4 1541 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,0,0,0,0,0|2,0,0]=2 1542 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,0,0,0,0,0|2,0,0]=2 1543 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,0,0,0,0,0|2,0,0]=2 1544 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,0,0,0,0,0|2,0,0]=2 1545 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,0,0,0,0,0|3,0,0]=3 1546 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,0,0,0,0,0|3,0,0]=3 1547 B11R0.148 CCSCCOCCCC(C)C 34a_100000210774_100000757381 [0,0,0,0,0,0|3,0,1]=4 1548 B11R0.148 CCSCCOCCCC(C)C 34a_100000212035_100011214892 [0,0,0,0,0,0|3,0,1]=4 1549 B11R0.148 CCSCCOCCCC(C)C 7a_100000210774_100000757381 [0,0,0,0,0,0|3,0,1]=4 1550 B11R0.148 CCSCCOCCCC(C)C 7a_100000212035_100011214892 [0,0,0,0,0,0|3,0,1]=4 1551 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,0,0,0,0,0|2,0,2]=4 1552 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,0,0,0,0,0|2,0,2]=4 1553 B11R0.148 CCSCCOCCCN(C)C 7a_100000212035_100000757444 [0,0,0,0,0,0|4,0,0]=4 1554 B11R0.148 CCSCCOCCC[N+](=O)[O-] 34a_200000037920_100000757381 [0,0,0,0,0,0|4,0,0]=4 1555 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,0,0,0,0,0|3,0,0]=3 1556 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,0,0,0,0,0|3,0,0]=3 1557 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,0,0,0,0,0|4,0,0]=4 1558 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,0,0,0,0,0|4,0,0]=4 1559 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,0,0,0,0,0|3,0,0]=3 1560 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,0,0,0,0,0|3,0,0]=3 1561 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,0,0,0,0,0|3,0,0]=3 1562 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,0,0,0,0,0|3,0,0]=3 1563 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,0,0,0,0,0|4,0,0]=4 1564 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,0,0,0,0,0|4,0,0]=4 1565 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,0,0,0,0,0|4,0,0]=4 1566 B11R0.148 CCSCCSCCC=C(C)C 62a_100000757381_100011217483 [0,0,0,0,0,0|3,0,1]=4 1567 B11R0.148 CCSCCSCCC=C(C)C 62a_100011217483_100000757381 [0,0,0,0,0,0|3,0,1]=4 1568 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,0,0,0,0,0|2,0,0]=2 1569 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,0,0,0,0,0|2,0,0]=2 1570 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,0,0,0,0,0|3,0,0]=3 1571 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,0,0,0,0,0|3,0,0]=3 1572 B11R0.148 CCSCCSCCCC(C)C 62a_100000757381_100011214892 [0,0,0,0,0,0|3,0,1]=4 1573 B11R0.148 CCSCCSCCCC(C)C 62a_100011214892_100000757381 [0,0,0,0,0,0|3,0,1]=4 1574 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,0,0,0,0,0|2,0,2]=4 1575 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,0,0,0,0,0|2,0,2]=4 1576 B11R0.148 CCSCCSCCCN(C)C 62a_100000757381_100000757444 [0,0,0,0,0,0|4,0,0]=4 1577 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,0,0,0,0,0|3,0,0]=3 1578 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,0,0,0,0,0|3,0,0]=3 1579 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,0,0,0,0,0|4,0,0]=4 1580 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,0,0,0,0,0|4,0,0]=4 1581 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,0,0,0,0,0|3,0,0]=3 1582 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,0,0,0,0,0|3,0,0]=3 1583 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,0,0,0,0,0|4,0,0]=4 1584 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,0,0,0,0,0|4,0,0]=4 1585 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,0,0,0,0,0|3,0,0]=3 1586 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,0,0,0,0,0|3,0,0]=3 1587 B11R0.148 CN(C)CCCCSCCCF 62a_100011934791_100000690147 [0,0,0,0,0,0|4,0,0]=4 1588 B11R0.148 CN(C)CCCCSCCCO 62a_100011215043_100000690147 [0,0,0,0,0,0|4,0,0]=4 1589 B11R0.148 CN(C)CCCOCCCCCl 7a_100000210776_100000757444 [0,0,0,0,0,0|4,0,0]=4 1590 B11R0.148 CN(C)CCCOCCCCF 7a_100011995726_100000757444 [0,0,0,0,0,0|4,0,0]=4 1591 B11R0.148 CN(C)CCCSCCCCF 62a_100000729493_100000757444 [0,0,0,0,0,0|4,0,0]=4 1592 B11R0.148 CN(C)CCCSCCCCO 62a_100000210776_100000757444 [0,0,0,0,0,0|4,0,0]=4 1593 B11R0.148 CN(C)CCOCCCCCBr 7a_100000746331_100000755713 [0,0,0,0,0,0|4,0,0]=4 1594 B11R0.148 CN(C)CCOCCCCCCl 7a_100000746330_100000755713 [0,0,0,0,0,0|4,0,0]=4 1595 B11R0.148 CN(C)CCOCCCCCI 7a_200012148887_100000755713 [0,0,0,0,0,0|4,0,0]=4 1596 B11R0.148 CN(C)CCSCCCCCF 62a_100000729378_100000755713 [0,0,0,0,0,0|4,0,0]=4 1597 B11R0.148 CN(C)CCSCCCCCO 62a_100000746330_100000755713 [0,0,0,0,0,0|4,0,0]=4 1598 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,0,0,0,0,0|2,0,0]=2 1599 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,0,0,0,0,0|2,0,0]=2 1600 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,0,0,0,0,0|3,0,0]=3 1601 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,0,0,0,0,0|3,0,0]=3 1602 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,0,0,0,0,0|3,0,1]=4 1603 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,0,0,0,0,0|2,0,2]=4 1604 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,0,0,0,0,0|2,0,2]=4 1605 B11R0.148 CNCCCCCOC[N+](=O)[O-] 34a_100000722520_100000761209 [0,0,0,0,0,0|4,0,0]=4 1606 B11R0.148 CNCCCOCCC=C(C)C 34a_100000213112_100011217483 [0,0,0,0,0,0|3,0,1]=4 1607 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,0,0,0,0,0|2,0,0]=2 1608 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,0,0,0,0,0|3,0,0]=3 1609 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [0,0,0,0,0,0|3,0,1]=4 1610 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,0,0,0,0,0|2,0,2]=4 1611 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,0,0,0,0,0|3,0,0]=3 1612 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,0,0,0,0,0|4,0,0]=4 1613 B11R0.148 CNCCOCCOCC(=O)N 34a_100000228057_100000187820 [0,0,0,0,0,0|4,0,0]=4 1614 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,0,0,0,0,0|4,0,0]=4 1615 B11R0.148 CNCCOCCOCC(=O)[O-] 34a_100000228057_100020667443 [0,0,0,0,0,0|4,0,0]=4 1616 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,0,0,0,0,0|2,0,1]=3 1617 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,0,0,0,0,0|2,0,1]=3 1618 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,0,0,0,0,0|3,0,1]=4 1619 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,0,0,0,0,0|3,0,1]=4 1620 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,0,0,0,0,0|3,0,1]=4 1621 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,0,0,0,0,0|3,0,1]=4 1622 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,0,0,0,0,0|3,0,1]=4 1623 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,0,0,0,0,0|3,0,1]=4 1624 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,0,0,0,0,0|3,0,1]=4 1625 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,0,0,0,0,0|3,0,0]=3 1626 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,0,0,0,0,0|3,0,0]=3 1627 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,0,0,0,0,0|3,0,0]=3 1628 B11R0.148 COCCCCCNCC(C)C 2230a_100000747528_100000210760 [0,0,0,0,0,0|3,0,1]=4 1629 B11R0.148 COCCCCCNCC(C)C 270004a_100000747528_100000210432 [0,0,0,0,0,0|3,0,1]=4 1630 B11R0.148 COCCCCCNCC(C)C 34a_100000747528_100000210624 [0,0,0,0,0,0|3,0,1]=4 1631 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,0,0,0,0,0|2,0,2]=4 1632 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,0,0,0,0,0|2,0,2]=4 1633 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,0,0,0,0,0|2,0,2]=4 1634 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,0,0,0,0,0|2,0,2]=4 1635 B11R0.148 COCCCCCNC[N+](=O)[O-] 34a_100000747528_100000761209 [0,0,0,0,0,0|4,0,0]=4 1636 B11R0.148 COCCCCNCC=C(C)C 34a_100000718196_100000755781 [0,0,0,0,0,0|3,0,1]=4 1637 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,0,0,0,0,0|2,0,2]=4 1638 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,0,0,0,0,0|4,0,0]=4 1639 B11R0.148 COCCCCOCC=C(C)C 34a_100000740925_100000761012 [0,0,0,0,0,0|3,0,1]=4 1640 B11R0.148 COCCCCOCC=C(C)C 34a_100000753907_100000755781 [0,0,0,0,0,0|3,0,1]=4 1641 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,0,0,0,0,0|2,0,0]=2 1642 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,0,0,0,0,0|2,0,0]=2 1643 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,0,0,0,0,0|3,0,0]=3 1644 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,0,0,0,0,0|3,0,0]=3 1645 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,0,0,0,0,0|3,0,0]=3 1646 B11R0.148 COCCCCOCCC(C)Br 34a_100009893172_100000755781 [0,0,0,0,0,0|3,0,1]=4 1647 B11R0.148 COCCCCOCCC(C)C 34a_100000210254_100000755781 [0,0,0,0,0,0|3,0,1]=4 1648 B11R0.148 COCCCCOCCC(C)C 34a_100000740925_100000210312 [0,0,0,0,0,0|3,0,1]=4 1649 B11R0.148 COCCCCOCCC(C)C 7a_100000210254_100000730899 [0,0,0,0,0,0|3,0,1]=4 1650 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,0,0,0,0,0|2,0,2]=4 1651 B11R0.148 COCCCCOCC[C@@H](C)N 34a_100000706166_100000755781 [0,0,0,0,0,0|3,0,1]=4 1652 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,0,0,0,0,0|3,0,0]=3 1653 B11R0.148 COCCCCSCC=C(C)C 62a_100000730899_100000761012 [0,0,0,0,0,0|3,0,1]=4 1654 B11R0.148 COCCCCSCC=C(C)C 62a_100000761012_100000730899 [0,0,0,0,0,0|3,0,1]=4 1655 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,0,0,0,0,0|2,0,0]=2 1656 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,0,0,0,0,0|2,0,0]=2 1657 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,0,0,0,0,0|3,0,0]=3 1658 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,0,0,0,0,0|3,0,0]=3 1659 B11R0.148 COCCCCSCCC(C)C 62a_100000210312_100000730899 [0,0,0,0,0,0|3,0,1]=4 1660 B11R0.148 COCCCCSCCC(C)C 62a_100000730899_100000210312 [0,0,0,0,0,0|3,0,1]=4 1661 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,0,0,0,0,0|2,0,2]=4 1662 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,0,0,0,0,0|2,0,2]=4 1663 B11R0.148 COCCCCSCCN(C)C 62a_100000730899_100000755713 [0,0,0,0,0,0|4,0,0]=4 1664 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,0,0,0,0,0|3,0,0]=3 1665 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,0,0,0,0,0|3,0,0]=3 1666 B11R0.148 COCCCNCCC=C(C)C 34a_100150723488_100011217483 [0,0,0,0,0,0|3,0,1]=4 1667 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,0,0,0,0,0|2,0,0]=2 1668 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,0,0,0,0,0|3,0,0]=3 1669 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,0,0,0,0,0|3,0,0]=3 1670 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [0,0,0,0,0,0|3,0,1]=4 1671 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [0,0,0,0,0,0|3,0,1]=4 1672 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [0,0,0,0,0,0|3,0,1]=4 1673 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,0,0,0,0,0|2,0,2]=4 1674 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,0,0,0,0,0|3,0,0]=3 1675 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,0,0,0,0,0|3,0,0]=3 1676 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,0,0,0,0,0|4,0,0]=4 1677 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,0,0,0,0,0|3,0,0]=3 1678 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,0,0,0,0,0|4,0,0]=4 1679 B11R0.148 COCCCOCCC=C(C)C 34a_100000740835_100011217483 [0,0,0,0,0,0|3,0,1]=4 1680 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,0,0,0,0,0|2,0,0]=2 1681 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,0,0,0,0,0|2,0,0]=2 1682 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,0,0,0,0,0|2,0,0]=2 1683 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,0,0,0,0,0|3,0,0]=3 1684 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [0,0,0,0,0,0|3,0,1]=4 1685 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [0,0,0,0,0,0|3,0,1]=4 1686 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [0,0,0,0,0,0|3,0,1]=4 1687 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,0,0,0,0,0|2,0,2]=4 1688 B11R0.148 COCCCOCCC[N+](=O)[O-] 34a_200000037920_100000740836 [0,0,0,0,0,0|4,0,0]=4 1689 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,0,0,0,0,0|3,0,0]=3 1690 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,0,0,0,0,0|4,0,0]=4 1691 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,0,0,0,0,0|3,0,0]=3 1692 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,0,0,0,0,0|4,0,0]=4 1693 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,0,0,0,0,0|4,0,0]=4 1694 B11R0.148 COCCCSCCC=C(C)C 62a_100000709357_100011217483 [0,0,0,0,0,0|3,0,1]=4 1695 B11R0.148 COCCCSCCC=C(C)C 62a_100011217483_100000709357 [0,0,0,0,0,0|3,0,1]=4 1696 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,0,0,0,0,0|2,0,0]=2 1697 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,0,0,0,0,0|2,0,0]=2 1698 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,0,0,0,0,0|3,0,0]=3 1699 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,0,0,0,0,0|3,0,0]=3 1700 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [0,0,0,0,0,0|3,0,1]=4 1701 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [0,0,0,0,0,0|3,0,1]=4 1702 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,0,0,0,0,0|2,0,2]=4 1703 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,0,0,0,0,0|2,0,2]=4 1704 B11R0.148 COCCCSCCCN(C)C 62a_100000709357_100000757444 [0,0,0,0,0,0|4,0,0]=4 1705 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,0,0,0,0,0|3,0,0]=3 1706 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,0,0,0,0,0|3,0,0]=3 1707 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,0,0,0,0,0|4,0,0]=4 1708 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,0,0,0,0,0|4,0,0]=4 1709 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,0,0,0,0,0|3,0,0]=3 1710 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,0,0,0,0,0|3,0,0]=3 1711 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,0,0,0,0,0|4,0,0]=4 1712 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,0,0,0,0,0|4,0,0]=4 1713 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,0,0,0,0,0|3,0,0]=3 1714 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [0,0,0,0,0,0|3,0,1]=4 1715 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,0,0,0,0,0|3,0,0]=3 1716 B11R0.148 COCCNCCCOC(=S)C 2230a_100000209980_200135323944 [0,0,0,0,0,0|3,1,0]=4 1717 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,0,0,0,0,0|3,0,0]=3 1718 B11R0.148 COCCNCCOCC(=O)N 2230a_100000209980_100000076697 [0,0,0,0,0,0|4,0,0]=4 1719 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,0,0,0,0,0|4,0,0]=4 1720 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,0,0,0,0,0|2,0,0]=2 1721 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,0,0,0,0,0|3,0,0]=3 1722 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,0,0,0,0,0|3,0,0]=3 1723 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,0,0,0,0,0|3,0,1]=4 1724 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,0,0,0,0,0|3,0,1]=4 1725 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,0,0,0,0,0|3,0,1]=4 1726 B11R0.148 COCCOCCCC[N+](=O)[O-] 34a_200015379883_100011201679 [0,0,0,0,0,0|4,0,0]=4 1727 B11R0.148 COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000233755 [0,0,0,0,0,0|4,0,0]=4 1728 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,0,0,0,0,0|3,0,0]=3 1729 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,0,0,0,0,0|3,0,0]=3 1730 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,0,0,0,0,0|3,0,0]=3 1731 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,0,0,0,0,0|3,0,0]=3 1732 B11R0.148 COCCOCCCOC(=S)C 34a_100000210237_200135323944 [0,0,0,0,0,0|3,1,0]=4 1733 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,0,0,0,0,0|3,0,0]=3 1734 B11R0.148 COCCOCCNCC(=O)N 2230a_100000711301_100000695917 [0,0,0,0,0,0|4,0,0]=4 1735 B11R0.148 COCCOCCNCC(=O)N 2230a_100000745349_100000747473 [0,0,0,0,0,0|4,0,0]=4 1736 B11R0.148 COCCOCCNCC(=O)N 34a_100000745349_100000187820 [0,0,0,0,0,0|4,0,0]=4 1737 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,0,0,0,0,0|4,0,0]=4 1738 B11R0.148 COCCOCCNCC(=O)[O-] 34a_100000745349_100020667443 [0,0,0,0,0,0|4,0,0]=4 1739 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,0,0,0,0,0|3,0,0]=3 1740 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,0,0,0,0,0|3,0,0]=3 1741 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [0,0,0,0,0,0|4,0,0]=4 1742 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [0,0,0,0,0,0|4,0,0]=4 1743 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [0,0,0,0,0,0|4,0,0]=4 1744 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,0,0,0,0,0|3,0,0]=3 1745 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [0,0,0,0,0,0|4,0,0]=4 1746 B11R0.148 COCCOCCSCC(=O)N 62a_100000695917_100000747473 [0,0,0,0,0,0|4,0,0]=4 1747 B11R0.148 COCCOCCSCC(=O)N 62a_100000747473_100000695917 [0,0,0,0,0,0|4,0,0]=4 1748 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100000695917_100020667443 [0,0,0,0,0,0|4,0,0]=4 1749 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100020667443_100000695917 [0,0,0,0,0,0|4,0,0]=4 1750 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,0,0,0,0,0|3,0,0]=3 1751 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,0,0,0,0,0|3,0,0]=3 1752 B11R0.148 COCCOCSCCC(=O)N 62a_100000231047_100000744528 [0,0,0,0,0,0|4,0,0]=4 1753 B11R0.148 COCCOCSCCC(=O)N 62a_100000744528_100000231047 [0,0,0,0,0,0|4,0,0]=4 1754 B11R0.148 COCCOCSCOC(=O)C 62a_100000076356_100000231047 [0,0,0,0,0,0|4,0,0]=4 1755 B11R0.148 COCCOCSCOC(=O)C 62a_100000231047_100000076356 [0,0,0,0,0,0|4,0,0]=4 1756 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,0,0,0,0,0|2,0,0]=2 1757 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,0,0,0,0,0|2,0,0]=2 1758 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [0,0,0,0,0,0|3,0,1]=4 1759 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [0,0,0,0,0,0|3,0,1]=4 1760 B11R0.148 COCCSCCCCN(C)C 62a_100000233755_100000690147 [0,0,0,0,0,0|4,0,0]=4 1761 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,0,0,0,0,0|3,0,0]=3 1762 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,0,0,0,0,0|3,0,0]=3 1763 B11R0.148 COCCSCCCOC(=S)C 62a_100000233755_200135323944 [0,0,0,0,0,0|3,1,0]=4 1764 B11R0.148 COCCSCCCOC(=S)C 62a_200135323944_100000233755 [0,0,0,0,0,0|3,1,0]=4 1765 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,0,0,0,0,0|3,0,0]=3 1766 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,0,0,0,0,0|3,0,0]=3 1767 B11R0.148 COCCSCCOCC(=O)N 62a_100000076697_100000233755 [0,0,0,0,0,0|4,0,0]=4 1768 B11R0.148 COCCSCCOCC(=O)N 62a_100000233755_100000076697 [0,0,0,0,0,0|4,0,0]=4 1769 B11R0.148 COCNCCCCCC(C)C 2230a_100011290863_100000766300 [0,0,0,0,0,0|3,0,1]=4 1770 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,0,0,0,0,0|3,0,0]=3 1771 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,0,0,0,0,0|3,0,0]=3 1772 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,0,0,0,0,0|3,0,0]=3 1773 B11R0.148 COCSCCCCCC(C)C 62a_100000210682_100000766300 [0,0,0,0,0,0|3,0,1]=4 1774 B11R0.148 COCSCCCCCC(C)C 62a_100000766300_100000210682 [0,0,0,0,0,0|3,0,1]=4 1775 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,0,0,0,0,0|3,0,0]=3 1776 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,0,0,0,0,0|3,0,0]=3 1777 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,0,0,0,0,0|3,0,0]=3 1778 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,0,0,0,0,0|3,0,0]=3 1779 B11R0.148 COCSCOCCOC(=O)C 62a_100000076355_100000766300 [0,0,0,0,0,0|4,0,0]=4 1780 B11R0.148 COCSCOCCOC(=O)C 62a_100000766300_100000076355 [0,0,0,0,0,0|4,0,0]=4 1781 B11R0.148 CS(=O)CCCNCCCC#N 2230a_200000753449_100000687738 [0,0,0,0,0,0|3,0,1]=4 1782 B11R0.148 CS(=O)CCCNCCCC=O 2230a_200000753449_200011292268 [0,0,0,0,0,0|3,0,1]=4 1783 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,0,0,0,0,0|3,0,0]=3 1784 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,0,0,0,0,0|3,0,0]=3 1785 B11R0.148 CSCCCCOCC=C(C)C 34a_100011217163_100000761012 [0,0,0,0,0,0|3,0,1]=4 1786 B11R0.148 CSCCCCOCC=C(C)C 7a_100011217163_100000761012 [0,0,0,0,0,0|3,0,1]=4 1787 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,0,0,0,0,0|2,0,0]=2 1788 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,0,0,0,0,0|3,0,0]=3 1789 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,0,0,0,0,0|3,0,0]=3 1790 B11R0.148 CSCCCCOCCC(C)C 34a_100011217163_100000210312 [0,0,0,0,0,0|3,0,1]=4 1791 B11R0.148 CSCCCCOCCC(C)C 7a_100011217163_100000210626 [0,0,0,0,0,0|3,0,1]=4 1792 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,0,0,0,0,0|2,0,2]=4 1793 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,0,0,0,0,0|2,0,2]=4 1794 B11R0.148 CSCCCCOCCN(C)C 7a_100011217163_100000755713 [0,0,0,0,0,0|4,0,0]=4 1795 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,0,0,0,0,0|3,0,0]=3 1796 B11R0.148 CSCCCNCCC=C(C)C 2230a_100000749238_100011217483 [0,0,0,0,0,0|3,0,1]=4 1797 B11R0.148 CSCCCNCCCC(C)C 2230a_100000749238_100011214892 [0,0,0,0,0,0|3,0,1]=4 1798 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,0,0,0,0,0|2,0,2]=4 1799 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,0,0,0,0,0|3,0,0]=3 1800 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,0,0,0,0,0|4,0,0]=4 1801 B11R0.148 CSCCCOCCC=C(C)C 34a_100000690336_100011217483 [0,0,0,0,0,0|3,0,1]=4 1802 B11R0.148 CSCCCOCCC=C(C)C 7a_100000690336_100011217483 [0,0,0,0,0,0|3,0,1]=4 1803 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,0,0,0,0,0|2,0,0]=2 1804 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,0,0,0,0,0|2,0,0]=2 1805 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,0,0,0,0,0|3,0,0]=3 1806 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,0,0,0,0,0|3,0,0]=3 1807 B11R0.148 CSCCCOCCCC(C)C 34a_100000690336_100011214892 [0,0,0,0,0,0|3,0,1]=4 1808 B11R0.148 CSCCCOCCCC(C)C 7a_100000690336_100011214892 [0,0,0,0,0,0|3,0,1]=4 1809 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,0,0,0,0,0|2,0,2]=4 1810 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,0,0,0,0,0|2,0,2]=4 1811 B11R0.148 CSCCCOCCCN(C)C 7a_100000690336_100000757444 [0,0,0,0,0,0|4,0,0]=4 1812 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,0,0,0,0,0|3,0,0]=3 1813 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,0,0,0,0,0|4,0,0]=4 1814 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,0,0,0,0,0|3,0,0]=3 1815 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,0,0,0,0,0|3,0,0]=3 1816 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,0,0,0,0,0|4,0,0]=4 1817 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,0,0,0,0,0|4,0,0]=4 1818 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,0,0,0,0,0|3,0,0]=3 1819 B11R0.148 CSCCNCCCCC(C)C 2230a_100020590264_100011216152 [0,0,0,0,0,0|3,0,1]=4 1820 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,0,0,0,0,0|3,0,0]=3 1821 B11R0.148 CSCCNCCCOC(=S)C 2230a_100020590264_200135323944 [0,0,0,0,0,0|3,1,0]=4 1822 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,0,0,0,0,0|3,0,0]=3 1823 B11R0.148 CSCCNCCOCC(=O)N 2230a_100020590264_100000076697 [0,0,0,0,0,0|4,0,0]=4 1824 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,0,0,0,0,0|4,0,0]=4 1825 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,0,0,0,0,0|2,0,0]=2 1826 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,0,0,0,0,0|2,0,0]=2 1827 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,0,0,0,0,0|3,0,0]=3 1828 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,0,0,0,0,0|3,0,0]=3 1829 B11R0.148 CSCCOCCCCC(C)C 34a_100000230434_100011216152 [0,0,0,0,0,0|3,0,1]=4 1830 B11R0.148 CSCCOCCCCC(C)C 34a_100011214890_100000212216 [0,0,0,0,0,0|3,0,1]=4 1831 B11R0.148 CSCCOCCCCC(C)C 7a_100000230434_100011216152 [0,0,0,0,0,0|3,0,1]=4 1832 B11R0.148 CSCCOCCCCC(C)C 7a_100011214890_100000212216 [0,0,0,0,0,0|3,0,1]=4 1833 B11R0.148 CSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000212216 [0,0,0,0,0,0|4,0,0]=4 1834 B11R0.148 CSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000212216 [0,0,0,0,0,0|4,0,0]=4 1835 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,0,0,0,0,0|3,0,0]=3 1836 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,0,0,0,0,0|3,0,0]=3 1837 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,0,0,0,0,0|3,0,0]=3 1838 B11R0.148 CSCCOCCCOC(=S)C 34a_100000230434_200135323944 [0,0,0,0,0,0|3,1,0]=4 1839 B11R0.148 CSCCOCCCOC(=S)C 7a_100000230434_200135323944 [0,0,0,0,0,0|3,1,0]=4 1840 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,0,0,0,0,0|3,0,0]=3 1841 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,0,0,0,0,0|3,0,0]=3 1842 B11R0.148 CSCCOCCOCC(=O)N 34a_100000230434_100000076697 [0,0,0,0,0,0|4,0,0]=4 1843 B11R0.148 CSCCOCCOCC(=O)N 7a_100000230434_100000076697 [0,0,0,0,0,0|4,0,0]=4 1844 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,0,0,0,0,0|2,0,0]=2 1845 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,0,0,0,0,0|2,0,0]=2 1846 B11R0.148 CSCCSCCCCC(C)C 62a_100000212216_100011216152 [0,0,0,0,0,0|3,0,1]=4 1847 B11R0.148 CSCCSCCCCC(C)C 62a_100011216152_100000751147 [0,0,0,0,0,0|3,0,1]=4 1848 B11R0.148 CSCCSCCCCN(C)C 62a_100000212216_100000690147 [0,0,0,0,0,0|4,0,0]=4 1849 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,0,0,0,0,0|3,0,0]=3 1850 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,0,0,0,0,0|3,0,0]=3 1851 B11R0.148 CSCCSCCCOC(=S)C 62a_100000212216_200135323944 [0,0,0,0,0,0|3,1,0]=4 1852 B11R0.148 CSCCSCCCOC(=S)C 62a_200135323944_100000751147 [0,0,0,0,0,0|3,1,0]=4 1853 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,0,0,0,0,0|3,0,0]=3 1854 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,0,0,0,0,0|3,0,0]=3 1855 B11R0.148 CSCCSCCOCC(=O)N 62a_100000076697_100000751147 [0,0,0,0,0,0|4,0,0]=4 1856 B11R0.148 CSCCSCCOCC(=O)N 62a_100000212216_100000076697 [0,0,0,0,0,0|4,0,0]=4 1857 B11R0.148 CSCNCCCCCC(C)C 2230a_100011290863_100011218213 [0,0,0,0,0,0|3,0,1]=4 1858 B11R0.148 CSCNCCCCCC(C)C 34a_100011290863_100011218213 [0,0,0,0,0,0|3,0,1]=4 1859 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,0,0,0,0,0|3,0,0]=3 1860 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,0,0,0,0,0|3,0,0]=3 1861 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,0,0,0,0,0|3,0,0]=3 1862 B11R0.148 CSCOCCCCCC(C)C 34a_100011995859_100011218213 [0,0,0,0,0,0|3,0,1]=4 1863 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,0,0,0,0,0|3,0,0]=3 1864 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,0,0,0,0,0|3,0,0]=3 1865 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,0,0,0,0,0|3,0,0]=3 1866 B11R0.148 CSCSCCCCCC(C)C 62a_100000210682_100011218213 [0,0,0,0,0,0|3,0,1]=4 1867 B11R0.148 CSCSCCCCCC(C)C 62a_100011218213_100000210682 [0,0,0,0,0,0|3,0,1]=4 1868 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,0,0,0,0,0|3,0,0]=3 1869 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,0,0,0,0,0|3,0,0]=3 1870 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,0,0,0,0,0|3,0,0]=3 1871 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,0,0,0,0,0|3,0,0]=3 1872 B11R0.148 CSCSCOCCOC(=O)C 62a_100000076355_100011218213 [0,0,0,0,0,0|4,0,0]=4 1873 B11R0.148 CSCSCOCCOC(=O)C 62a_100011218213_100000076355 [0,0,0,0,0,0|4,0,0]=4 1874 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,0,0,0,0,0|3,0,1]=4 1875 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,0,0,0,0,0|3,0,1]=4 1876 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [0,0,0,0,0,0|3,0,1]=4 1877 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,0,0,0,0,0|3,0,1]=4 1878 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,0,0,0,0,0|3,0,1]=4 1879 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,0,0,0,0,0|3,0,1]=4 1880 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,0,0,0,0,0|2,0,2]=4 1881 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,0,0,0,0,0|2,0,2]=4 1882 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,0,0,0,0,0|2,0,2]=4 1883 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,0,0,0,0,0|2,0,2]=4 1884 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,0,0,0,0,0|2,0,2]=4 1885 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,0,0,0,0,0|2,0,2]=4 1886 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,0,0,0,0,0|2,0,2]=4 1887 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,0,0,0,0,0|2,0,2]=4 1888 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,0,0,0,0,0|2,0,2]=4 1889 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,0,0,0,0,0|2,0,2]=4 1890 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,0,0,0,0,0|2,0,2]=4 1891 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,0,0,0,0,0|2,0,2]=4 1892 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,0,0,0,0,0|2,0,2]=4 1893 B11R0.148 N#CCCCCCNCC(=O)N 2230a_100000711301_100009813376 [0,0,0,0,0,0|3,0,1]=4 1894 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,0,0,0,0,0|3,0,1]=4 1895 B11R0.148 N#CCCCCCSCC(=O)N 62a_100000747473_100009813376 [0,0,0,0,0,0|3,0,1]=4 1896 B11R0.148 N#CCCCCCSCC(=O)N 62a_100009813376_100000747473 [0,0,0,0,0,0|3,0,1]=4 1897 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100009813376_100020667443 [0,0,0,0,0,0|3,0,1]=4 1898 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100020667443_100009813376 [0,0,0,0,0,0|3,0,1]=4 1899 B11R0.148 N#CCCCCOCCC(=O)N 7a_100000757172_100000211819 [0,0,0,0,0,0|3,0,1]=4 1900 B11R0.148 N#CCCCCSCCC(=O)N 62a_100000744528_100000211819 [0,0,0,0,0,0|3,0,1]=4 1901 B11R0.148 N#CCCCCSCCC(=O)N 62a_100011219923_100000744528 [0,0,0,0,0,0|3,0,1]=4 1902 B11R0.148 N#CCCCSCCCC(=O)N 62a_100000687738_100102525003 [0,0,0,0,0,0|3,0,1]=4 1903 B11R0.148 N#CCCCSCCCC(=O)N 62a_100102525003_100000687738 [0,0,0,0,0,0|3,0,1]=4 1904 B11R0.148 N#CCCOCCCCC(=O)N 7a_100012022536_100000184422 [0,0,0,0,0,0|3,0,1]=4 1905 B11R0.148 N#CCOCCCCCC(=O)N 7a_100000123541_100011215382 [0,0,0,0,0,0|3,0,1]=4 1906 B11R0.148 N#CCOCCCCCC(=O)[O-] 7a_100102619762_100011215382 [0,0,0,0,0,0|3,0,1]=4 1907 B11R0.148 N#CCSCCCCCC(=O)N 62a_100009817443_100011215382 [0,0,0,0,0,0|3,0,1]=4 1908 B11R0.148 N#CCSCCCCCC(=O)N 62a_100011215382_100009817443 [0,0,0,0,0,0|3,0,1]=4 1909 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,0,0,0,0,0|3,0,0]=3 1910 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,0,0,0,0,0|3,0,0]=3 1911 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,0,0,0,0,0|3,0,0]=3 1912 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [0,0,0,0,0,0|3,0,1]=4 1913 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [0,0,0,0,0,0|3,0,1]=4 1914 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,0,0,0,0,0|3,0,0]=3 1915 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,0,0,0,0,0|3,0,0]=3 1916 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,0,0,0,0,0|3,0,0]=3 1917 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,0,0,0,0,0|3,0,0]=3 1918 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,0,0,0,0,0|3,0,0]=3 1919 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [0,0,0,0,0,0|3,0,1]=4 1920 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [0,0,0,0,0,0|3,0,1]=4 1921 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,0,0,0,0,0|3,0,0]=3 1922 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,0,0,0,0,0|3,0,0]=3 1923 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,0,0,0,0,0|3,0,0]=3 1924 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,0,0,0,0,0|3,0,0]=3 1925 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,0,0,0,0,0|3,0,0]=3 1926 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,0,0,0,0,0|3,0,0]=3 1927 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,0,0,0,0,0|3,0,0]=3 1928 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,0,0,0,0,0|3,0,0]=3 1929 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,0,0,0,0,0|3,0,0]=3 1930 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,0,0,0,0,0|3,0,0]=3 1931 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,0,0,0,0,0|3,0,0]=3 1932 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,0,0,0,0,0|3,0,0]=3 1933 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,0,0,0,0,0|3,0,0]=3 1934 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,0,0,0,0,0|3,0,0]=3 1935 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,0,0,0,0,0|3,0,0]=3 1936 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,0,0,0,0,0|3,0,0]=3 1937 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,0,0,0,0,0|3,0,0]=3 1938 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,0,0,0,0,0|3,0,0]=3 1939 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,0,0,0,0,0|3,0,0]=3 1940 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [0,0,0,0,0,0|3,0,1]=4 1941 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [0,0,0,0,0,0|3,0,1]=4 1942 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,0,0,0,0,0|3,0,0]=3 1943 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,0,0,0,0,0|3,0,0]=3 1944 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,0,0,0,0,0|3,0,0]=3 1945 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,0,0,0,0,0|3,0,0]=3 1946 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,0,0,0,0,0|3,0,0]=3 1947 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,0,0,0,0,0|3,0,0]=3 1948 B11R0.148 NC(=O)CCNCCOCCO 2230a_100000211614_100000744528 [0,0,0,0,0,0|4,0,0]=4 1949 B11R0.148 NC(=O)CCNCCOCCO 34a_100000211614_100000731001 [0,0,0,0,0,0|4,0,0]=4 1950 B11R0.148 NC(=O)CCNCCSCCO 2230a_100011219999_100000744528 [0,0,0,0,0,0|4,0,0]=4 1951 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [0,0,0,0,0,0|3,0,1]=4 1952 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,0,0,0,0,0|3,0,0]=3 1953 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,0,0,0,0,0|3,0,0]=3 1954 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,0,0,0,0,0|3,0,0]=3 1955 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,0,0,0,0,0|3,0,0]=3 1956 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,0,0,0,0,0|3,0,0]=3 1957 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,0,0,0,0,0|3,0,0]=3 1958 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,0,0,0,0,0|3,0,0]=3 1959 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,0,0,0,0,0|3,0,0]=3 1960 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,0,0,0,0,0|3,0,0]=3 1961 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,0,0,0,0,0|3,0,0]=3 1962 B11R0.148 NC(=O)CCOCCOCCBr 34a_100000692535_100000731001 [0,0,0,0,0,0|4,0,0]=4 1963 B11R0.148 NC(=O)CCOCCOCCBr 7a_100000692535_100000744528 [0,0,0,0,0,0|4,0,0]=4 1964 B11R0.148 NC(=O)CCOCCOCCCl 34a_100011215305_100000731001 [0,0,0,0,0,0|4,0,0]=4 1965 B11R0.148 NC(=O)CCOCCOCCCl 7a_100011215305_100000744528 [0,0,0,0,0,0|4,0,0]=4 1966 B11R0.148 NC(=O)CCOCCOCCF 34a_200015357709_100000731001 [0,0,0,0,0,0|4,0,0]=4 1967 B11R0.148 NC(=O)CCOCCOCCF 7a_200015357709_100000744528 [0,0,0,0,0,0|4,0,0]=4 1968 B11R0.148 NC(=O)CCOCCOCCI 34a_100012149058_100000731001 [0,0,0,0,0,0|4,0,0]=4 1969 B11R0.148 NC(=O)CCOCCOCCI 7a_100012149058_100000744528 [0,0,0,0,0,0|4,0,0]=4 1970 B11R0.148 NC(=O)CCOCCOCCO 34a_100000757172_100000692535 [0,0,0,0,0,0|4,0,0]=4 1971 B11R0.148 NC(=O)CCOCCOCCO 7a_100000757172_100011215305 [0,0,0,0,0,0|4,0,0]=4 1972 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [0,0,0,0,0,0|3,0,1]=4 1973 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [0,0,0,0,0,0|3,0,1]=4 1974 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,0,0,0,0,0|3,0,0]=3 1975 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,0,0,0,0,0|3,0,0]=3 1976 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,0,0,0,0,0|3,0,0]=3 1977 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,0,0,0,0,0|3,0,0]=3 1978 B11R0.148 NC(=O)CCSCCOCCO 62a_100000744528_100011215305 [0,0,0,0,0,0|4,0,0]=4 1979 B11R0.148 NC(=O)CCSCCOCCO 62a_100011215305_100000744528 [0,0,0,0,0,0|4,0,0]=4 1980 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,0,0,0,0,0|3,0,1]=4 1981 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,0,0,0,0,0|3,0,0]=3 1982 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,0,0,0,0,0|3,0,0]=3 1983 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,0,0,0,0,0|3,0,0]=3 1984 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,0,0,0,0,0|3,0,0]=3 1985 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,0,0,0,0,0|3,0,0]=3 1986 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,0,0,0,0,0|3,0,0]=3 1987 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,0,0,0,0,0|3,0,0]=3 1988 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,0,0,0,0,0|3,0,0]=3 1989 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,0,0,0,0,0|3,0,0]=3 1990 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,0,0,0,0,0|3,0,0]=3 1991 B11R0.148 NC(=O)COCCNCCCF 2230a_100015189416_100000076697 [0,0,0,0,0,0|4,0,0]=4 1992 B11R0.148 NC(=O)COCCNCCCF 34a_100015189416_100000076697 [0,0,0,0,0,0|4,0,0]=4 1993 B11R0.148 NC(=O)COCCOCCCBr 34a_100011217188_100000076697 [0,0,0,0,0,0|4,0,0]=4 1994 B11R0.148 NC(=O)COCCOCCCCl 34a_100000230001_100000076697 [0,0,0,0,0,0|4,0,0]=4 1995 B11R0.148 NC(=O)COCCOCCCF 34a_100000759539_100000076697 [0,0,0,0,0,0|4,0,0]=4 1996 B11R0.148 NC(=O)COCCSCCCF 62a_100000076697_100011934791 [0,0,0,0,0,0|4,0,0]=4 1997 B11R0.148 NC(=O)COCCSCCCF 62a_100011934791_100000076697 [0,0,0,0,0,0|4,0,0]=4 1998 B11R0.148 NC(=O)COCCSCCCO 62a_100000076697_100011215043 [0,0,0,0,0,0|4,0,0]=4 1999 B11R0.148 NC(=O)COCCSCCCO 62a_100011215043_100000076697 [0,0,0,0,0,0|4,0,0]=4 2000 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [0,0,0,0,0,0|3,0,1]=4 2001 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [0,0,0,0,0,0|3,0,1]=4 2002 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,0,0,0,0,0|3,0,0]=3 2003 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,0,0,0,0,0|3,0,0]=3 2004 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,0,0,0,0,0|3,0,0]=3 2005 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,0,0,0,0,0|3,0,0]=3 2006 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,0,0,0,0,0|4,0,0]=4 2007 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,0,0,0,0,0|4,0,0]=4 2008 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,0,0,0,0,0|4,0,0]=4 2009 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,0,0,0,0,0|4,0,0]=4 2010 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,0,0,0,0,0|4,0,0]=4 2011 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,0,0,0,0,0|4,0,0]=4 2012 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,0,0,0,0,0|4,0,0]=4 2013 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,0,0,0,0,0|4,0,0]=4 2014 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,0,0,0,0,0|4,0,0]=4 2015 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,0,0,0,0,0|4,0,0]=4 2016 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,0,0,0,0,0|4,0,0]=4 2017 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,0,0,0,0,0|4,0,0]=4 2018 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,0,0,0,0,0|4,0,0]=4 2019 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,0,0,0,0,0|4,0,0]=4 2020 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,0,0,0,0,0|4,0,0]=4 2021 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,0,0,0,0,0|4,0,0]=4 2022 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,0,0,0,0,0|4,0,0]=4 2023 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,0,0,0,0,0|4,0,0]=4 2024 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,0,0,0,0,0|4,0,0]=4 2025 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,0,0,0,0,0|4,0,0]=4 2026 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,0,0,0,0,0|4,0,0]=4 2027 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,0,0,0,0,0|4,0,0]=4 2028 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,0,0,0,0,0|4,0,0]=4 2029 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,0,0,0,0,0|4,0,0]=4 2030 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,0,0,0,0,0|3,0,0]=3 2031 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,0,0,0,0,0|3,0,0]=3 2032 B11R0.148 NCCCCCCOC[N+](=O)[O-] 34a_100000686447_100000761209 [0,0,0,0,0,0|4,0,0]=4 2033 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,0,0,0,0,0|3,0,0]=3 2034 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,0,0,0,0,0|3,0,0]=3 2035 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,0,0,0,0,0|4,0,0]=4 2036 B11R0.148 NCCCOCCOCC(=O)N 34a_100000182051_100000076697 [0,0,0,0,0,0|4,0,0]=4 2037 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,0,0,0,0,0|3,0,0]=3 2038 B11R0.148 NCCOCCOCCC(=O)N 34a_100000211614_100000731001 [0,0,0,0,0,0|4,0,0]=4 2039 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,0,0,0,0,0|3,0,0]=3 2040 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,0,0,0,0,0|3,0,0]=3 2041 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,0,0,0,0,0|4,0,0]=4 2042 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,0,0,0,0,0|4,0,0]=4 2043 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,0,0,0,0,0|4,0,0]=4 2044 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,0,0,0,0,0|4,0,0]=4 2045 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,0,0,0,0,0|3,0,0]=3 2046 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,0,0,0,0,0|3,0,0]=3 2047 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,0,0,0,0,0|3,0,0]=3 2048 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,0,0,0,0,0|3,0,0]=3 2049 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,0,0,0,0,0|3,0,0]=3 2050 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,0,0,0,0,0|3,0,0]=3 2051 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,0,0,0,0,0|3,0,0]=3 2052 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,0,0,0,0,0|3,0,0]=3 2053 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,0,0,0,0,0|3,0,0]=3 2054 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,0,0,0,0,0|3,0,0]=3 2055 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,0,0,0,0,0|3,0,1]=4 2056 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [0,0,0,0,0,0|3,0,1]=4 2057 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [0,0,0,0,0,0|3,0,1]=4 2058 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [0,0,0,0,0,0|3,0,1]=4 2059 B11R0.148 O=[N+]([O-])CCCCOCCCF 34a_200015379883_100011934791 [0,0,0,0,0,0|4,0,0]=4 2060 B11R0.148 O=[N+]([O-])CCCCOCCCF 7a_200015379883_100011934791 [0,0,0,0,0,0|4,0,0]=4 2061 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,0,0,0,0,0|4,0,0]=4 2062 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,0,0,0,0,0|4,0,0]=4 2063 B11R0.148 O=[N+]([O-])CCCOCCCCF 34a_200000037920_100000729493 [0,0,0,0,0,0|4,0,0]=4 2064 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,0,0,0,0,0|4,0,0]=4 2065 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,0,0,0,0,0|4,0,0]=4 2066 B11R0.148 O=[N+]([O-])COCCCCCCBr 34a_100011215345_100000761209 [0,0,0,0,0,0|4,0,0]=4 2067 B11R0.148 O=[N+]([O-])COCCCCCCCl 34a_100000766143_100000761209 [0,0,0,0,0,0|4,0,0]=4 2068 B11R0.148 O=[N+]([O-])COCCCCCCF 34a_100000732779_100000761209 [0,0,0,0,0,0|4,0,0]=4 2069 B11R0.148 O=[N+]([O-])CSCCCCCCF 62a_100015922095_100000761209 [0,0,0,0,0,0|4,0,0]=4 2070 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,0,0,0,0,0|4,0,0]=4 2071 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,0,0,0,0,0|3,0,0]=3 2072 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,0,0,0,0,0|4,0,0]=4 2073 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,0,0,0,0,0|0,0,2]=3 2074 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,0,0,0,0,0|0,0,2]=3 2075 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,0,0,0,0,0|0,0,2]=3 2076 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [1,0,0,0,0,0|1,0,2]=4 2077 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [1,0,0,0,0,0|1,0,2]=4 2078 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [1,0,0,0,0,0|1,0,2]=4 2079 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [1,0,0,0,0,0|1,0,2]=4 2080 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [1,0,0,0,0,0|1,0,2]=4 2081 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [1,0,0,0,0,0|1,0,2]=4 2082 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [1,0,0,0,0,0|1,0,2]=4 2083 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [1,0,0,0,0,0|1,0,2]=4 2084 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [1,0,0,0,0,0|1,0,2]=4 2085 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [1,0,0,0,0,0|1,0,2]=4 2086 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [1,0,0,0,0,0|1,0,2]=4 2087 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [1,0,0,0,0,0|1,0,2]=4 2088 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [1,0,0,0,0,0|1,0,2]=4 2089 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [1,0,0,0,0,0|1,0,2]=4 2090 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [1,0,0,0,0,0|1,0,2]=4 2091 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [1,0,0,0,0,0|1,0,2]=4 2092 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [1,0,0,0,0,0|1,0,2]=4 2093 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [1,0,0,0,0,0|1,0,2]=4 2094 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [1,0,0,0,0,0|1,0,2]=4 2095 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [1,0,0,0,0,0|1,0,2]=4 2096 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,0,0,0,0,0|2,0,1]=4 2097 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,0,0,0,0,0|2,0,0]=3 2098 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 2099 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 2100 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [1,0,0,0,0,0|3,0,0]=4 2101 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [1,0,0,0,0,0|3,0,0]=4 2102 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [1,0,0,0,0,0|3,0,0]=4 2103 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [1,0,0,0,0,0|3,0,0]=4 2104 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [1,0,0,0,0,0|3,0,0]=4 2105 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [1,0,0,0,0,0|3,0,0]=4 2106 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,0,0,0,0,0|2,0,0]=3 2107 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,0,0,0,0,0|2,0,0]=3 2108 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,0,0,0,0,0|2,0,0]=3 2109 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 2110 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 2111 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [1,0,0,0,0,0|3,0,0]=4 2112 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [1,0,0,0,0,0|3,0,0]=4 2113 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [1,0,0,0,0,0|3,0,0]=4 2114 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [1,0,0,0,0,0|3,0,0]=4 2115 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 2116 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [1,0,0,0,0,0|3,0,0]=4 2117 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [1,0,0,0,0,0|3,0,0]=4 2118 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [1,0,0,0,0,0|3,0,0]=4 2119 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [1,0,0,0,0,0|3,0,0]=4 2120 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [1,0,0,0,0,0|3,0,0]=4 2121 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [1,0,0,0,0,0|3,0,0]=4 2122 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [1,0,0,0,0,0|3,0,0]=4 2123 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [1,0,0,0,0,0|3,0,0]=4 2124 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [1,0,0,0,0,0|3,0,0]=4 2125 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [1,0,0,0,0,0|3,0,0]=4 2126 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [1,0,0,0,0,0|3,0,0]=4 2127 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [1,0,0,0,0,0|3,0,0]=4 2128 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,0,0,0,0,0|2,0,0]=3 2129 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,0,0,0,0,0|2,0,0]=3 2130 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [1,0,0,0,0,0|3,0,0]=4 2131 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [1,0,0,0,0,0|3,0,0]=4 2132 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 2133 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [1,0,0,0,0,0|3,0,0]=4 2134 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [1,0,0,0,0,0|3,0,0]=4 2135 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [1,0,0,0,0,0|3,0,0]=4 2136 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [1,0,0,0,0,0|3,0,0]=4 2137 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [1,0,0,0,0,0|3,0,0]=4 2138 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [1,0,0,0,0,0|3,0,0]=4 2139 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [1,0,0,0,0,0|3,0,0]=4 2140 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,0,0,0,0,0|2,0,0]=3 2141 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 2142 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 2143 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [1,0,0,0,0,0|3,0,0]=4 2144 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [1,0,0,0,0,0|3,0,0]=4 2145 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [1,0,0,0,0,0|3,0,0]=4 2146 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [1,0,0,0,0,0|3,0,0]=4 2147 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [1,0,0,0,0,0|3,0,0]=4 2148 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [1,0,0,0,0,0|3,0,0]=4 2149 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [1,0,0,0,0,0|3,0,0]=4 2150 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,0,0,0,0,0|2,0,0]=3 2151 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,0,0,0,0,0|2,0,0]=3 2152 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,0,0,0,0,0|2,0,0]=3 2153 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [1,0,0,0,0,0|3,0,0]=4 2154 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [1,0,0,0,0,0|3,0,0]=4 2155 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [1,0,0,0,0,0|3,0,0]=4 2156 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [1,0,0,0,0,0|3,0,0]=4 2157 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [1,0,0,0,0,0|3,0,0]=4 2158 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 2159 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,0,0,0,0,0|3,0,0]=4 2160 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [1,0,0,0,0,0|3,0,0]=4 2161 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [1,0,0,0,0,0|3,0,0]=4 2162 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [1,0,0,0,0,0|3,0,0]=4 2163 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [1,0,0,0,0,0|3,0,0]=4 2164 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [1,0,0,0,0,0|3,0,0]=4 2165 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [1,0,0,0,0,0|3,0,0]=4 2166 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [1,0,0,0,0,0|3,0,0]=4 2167 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [1,0,0,0,0,0|3,0,0]=4 2168 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [1,0,0,0,0,0|3,0,0]=4 2169 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [1,0,0,0,0,0|3,0,0]=4 2170 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [1,0,0,0,0,0|3,0,0]=4 2171 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [1,0,0,0,0,0|3,0,0]=4 2172 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [1,0,0,0,0,0|3,0,0]=4 2173 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [1,0,0,0,0,0|3,0,0]=4 2174 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [1,0,0,0,0,0|3,0,0]=4 2175 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,0,0,0,0,0|2,0,0]=3 2176 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,0,0,0,0,0|2,0,0]=3 2177 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [1,0,0,0,0,0|3,0,0]=4 2178 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [1,0,0,0,0,0|3,0,0]=4 2179 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [1,0,0,0,0,0|3,0,0]=4 2180 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [1,0,0,0,0,0|3,0,0]=4 2181 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [1,0,0,0,0,0|3,0,0]=4 2182 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [1,0,0,0,0,0|3,0,0]=4 2183 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [1,0,0,0,0,0|3,0,0]=4 2184 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [1,0,0,0,0,0|3,0,0]=4 2185 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [1,0,0,0,0,0|3,0,0]=4 2186 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [1,0,0,0,0,0|3,0,0]=4 2187 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [1,0,0,0,0,0|3,0,0]=4 2188 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [1,0,0,0,0,0|3,0,0]=4 2189 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,0,0,0,0,0|2,0,1]=4 2190 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,0,0,0,0,0|2,0,1]=4 2191 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,0,0,0,0,0|2,0,1]=4 2192 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,0,0,0,0,0|2,0,1]=4 2193 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,0,0,0,0,0|2,0,1]=4 2194 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,0,0,0,0,0|2,0,1]=4 2195 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,0,0,0,0,0|0,0,2]=3 2196 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,0,0,0,0,0|0,0,2]=3 2197 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,0,0,0,0,0|0,0,2]=3 2198 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [1,0,0,0,0,0|1,0,2]=4 2199 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [1,0,0,0,0,0|1,0,2]=4 2200 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [1,0,0,0,0,0|1,0,2]=4 2201 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [1,0,0,0,0,0|1,0,2]=4 2202 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [1,0,0,0,0,0|1,0,2]=4 2203 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [1,0,0,0,0,0|1,0,2]=4 2204 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [1,0,0,0,0,0|1,0,2]=4 2205 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [1,0,0,0,0,0|1,0,2]=4 2206 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [1,0,0,0,0,0|1,0,2]=4 2207 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [1,0,0,0,0,0|1,0,2]=4 2208 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [1,0,0,0,0,0|1,0,2]=4 2209 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [1,0,0,0,0,0|1,0,2]=4 2210 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [1,0,0,0,0,0|1,0,2]=4 2211 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [1,0,0,0,0,0|1,0,2]=4 2212 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [1,0,0,0,0,0|1,0,2]=4 2213 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [1,0,0,0,0,0|1,0,2]=4 2214 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [1,0,0,0,0,0|1,0,2]=4 2215 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [1,0,0,0,0,0|1,0,2]=4 2216 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [1,0,0,0,0,0|1,0,2]=4 2217 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [1,0,0,0,0,0|1,0,2]=4 2218 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,0,0,0,0,0|1,0,1]=3 2219 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|1,0,0]=2 2220 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|1,0,0]=2 2221 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [1,0,0,0,0,0|3,0,0]=4 2222 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,0,0,0,0,0|2,0,0]=3 2223 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,0,0,0,0,0|2,0,0]=3 2224 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,0,0,0,0,0|2,0,0]=3 2225 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,0,0,0,0,0|2,0,0]=3 2226 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [1,0,0,0,0,0|2,0,1]=4 2227 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [1,0,0,0,0,0|2,0,1]=4 2228 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,0,0,0,0,0|2,0,1]=4 2229 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,0,0,0,0,0|2,0,1]=4 2230 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,0,0,0,0,0|2,0,0]=3 2231 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,0,0,0,0,0|2,0,0]=3 2232 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,0,0,0,0,0|2,0,0]=3 2233 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,0,0,0,0,0|2,0,0]=3 2234 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,0,0,0,0,0|2,0,0]=3 2235 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [1,0,0,0,0,0|2,0,1]=4 2236 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,0,0,0,0,0|2,0,0]=3 2237 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,0,0,0,0,0|2,0,0]=3 2238 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,0,0,0,0,0|2,0,0]=3 2239 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,0,0,0,0,0|2,0,0]=3 2240 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,0,0,0,0,0|2,0,0]=3 2241 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,0,0,0,0,0|2,0,0]=3 2242 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,0,0,0,0,0|2,0,0]=3 2243 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,0,0,0,0,0|2,0,0]=3 2244 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [1,0,0,0,0,0|3,0,0]=4 2245 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [1,0,0,0,0,0|2,0,1]=4 2246 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [1,0,0,0,0,0|2,0,1]=4 2247 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,0,0,0,0,0|2,0,0]=3 2248 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,0,0,0,0,0|2,0,0]=3 2249 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,0,0,0,0,0|2,0,0]=3 2250 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,0,0,0,0,0|2,0,0]=3 2251 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [1,0,0,0,0,0|2,0,1]=4 2252 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,0,0,0,0,0|2,0,1]=4 2253 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,0,0,0,0,0|2,0,0]=3 2254 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,0,0,0,0,0|2,0,0]=3 2255 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,0,0,0,0,0|2,0,0]=3 2256 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,0,0,0,0,0|2,0,0]=3 2257 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,0,0,0,0,0|2,0,0]=3 2258 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,0,0,0,0,0|2,0,0]=3 2259 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [1,0,0,0,0,0|2,0,1]=4 2260 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [1,0,0,0,0,0|2,0,1]=4 2261 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,0,0,0,0,0|2,0,1]=4 2262 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,0,0,0,0,0|2,0,1]=4 2263 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,0,0,0,0,0|2,0,0]=3 2264 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,0,0,0,0,0|2,0,0]=3 2265 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,0,0,0,0,0|2,0,0]=3 2266 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,0,0,0,0,0|2,0,0]=3 2267 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,0,0,0,0,0|2,0,0]=3 2268 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,0,0,0,0,0|2,0,0]=3 2269 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [1,0,0,0,0,0|3,0,0]=4 2270 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [1,0,0,0,0,0|3,0,0]=4 2271 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 2272 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 2273 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 2274 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [1,0,0,0,0,0|2,0,1]=4 2275 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,0,0,0,0,0|2,0,0]=3 2276 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,0,0,0,0,0|2,0,0]=3 2277 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,0,0,0,0,0|2,0,0]=3 2278 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,0,0,0,0,0|2,0,0]=3 2279 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [1,0,0,0,0,0|3,0,0]=4 2280 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [1,0,0,0,0,0|3,0,0]=4 2281 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [1,0,0,0,0,0|3,0,0]=4 2282 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [1,0,0,0,0,0|3,0,0]=4 2283 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [1,0,0,0,0,0|3,0,0]=4 2284 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [1,0,0,0,0,0|3,0,0]=4 2285 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [1,0,0,0,0,0|3,0,0]=4 2286 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [1,0,0,0,0,0|3,0,0]=4 2287 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [1,0,0,0,0,0|3,0,0]=4 2288 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [1,0,0,0,0,0|3,0,0]=4 2289 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [1,0,0,0,0,0|3,0,0]=4 2290 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [1,0,0,0,0,0|3,0,0]=4 2291 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,0,0,0,0,0|3,0,0]=4 2292 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,0,0,0,0,0|3,0,0]=4 2293 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,0,0,0,0,0|2,0,0]=3 2294 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,0,0,0,0,0|2,0,0]=3 2295 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [1,0,0,0,0,0|3,0,0]=4 2296 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [1,0,0,0,0,0|3,0,0]=4 2297 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [1,0,0,0,0,0|3,0,0]=4 2298 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [1,0,0,0,0,0|3,0,0]=4 2299 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [1,0,0,0,0,0|3,0,0]=4 2300 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [1,0,0,0,0,0|3,0,0]=4 2301 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [1,0,0,0,0,0|3,0,0]=4 2302 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [1,0,0,0,0,0|3,0,0]=4 2303 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [1,0,0,0,0,0|3,0,0]=4 2304 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [1,0,0,0,0,0|3,0,0]=4 2305 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,0,0,0,0,0|3,0,0]=4 2306 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,0,0,0,0,0|3,0,0]=4 2307 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [1,0,0,0,0,0|3,0,0]=4 2308 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [1,0,0,0,0,0|3,0,0]=4 2309 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [1,0,0,0,0,0|3,0,0]=4 2310 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [1,0,0,0,0,0|3,0,0]=4 2311 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [1,0,0,0,0,0|3,0,0]=4 2312 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [1,0,0,0,0,0|3,0,0]=4 2313 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [1,0,0,0,0,0|3,0,0]=4 2314 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [1,0,0,0,0,0|3,0,0]=4 2315 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [1,0,0,0,0,0|3,0,0]=4 2316 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,0,0,0,0,0|3,0,0]=4 2317 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,0,0,0,0,0|3,0,0]=4 2318 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [1,0,0,0,0,0|3,0,0]=4 2319 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [1,0,0,0,0,0|3,0,0]=4 2320 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [1,0,0,0,0,0|3,0,0]=4 2321 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [1,0,0,0,0,0|3,0,0]=4 2322 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [1,0,0,0,0,0|3,0,0]=4 2323 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [1,0,0,0,0,0|3,0,0]=4 2324 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [1,0,0,0,0,0|3,0,0]=4 2325 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [1,0,0,0,0,0|3,0,0]=4 2326 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [1,0,0,0,0,0|3,0,0]=4 2327 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [1,0,0,0,0,0|3,0,0]=4 2328 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [1,0,0,0,0,0|3,0,0]=4 2329 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [1,0,0,0,0,0|3,0,0]=4 2330 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [1,0,0,0,0,0|3,0,0]=4 2331 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [1,0,0,0,0,0|3,0,0]=4 2332 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [1,0,0,0,0,0|3,0,0]=4 2333 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [1,0,0,0,0,0|3,0,0]=4 2334 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [1,0,0,0,0,0|3,0,0]=4 2335 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [1,0,0,0,0,0|3,0,0]=4 2336 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [1,0,0,0,0,0|3,0,0]=4 2337 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [1,0,0,0,0,0|3,0,0]=4 2338 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [1,0,0,0,0,0|3,0,0]=4 2339 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,0,0,0,0,0|2,0,1]=4 2340 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,0,0,0,0,0|2,0,1]=4 2341 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [1,0,0,0,0,0|1,0,2]=4 2342 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [1,0,0,0,0,0|1,0,2]=4 2343 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [1,0,0,0,0,0|1,0,2]=4 2344 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [1,0,0,0,0,0|1,0,2]=4 2345 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [1,0,0,0,0,0|1,0,2]=4 2346 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [1,0,0,0,0,0|1,0,2]=4 2347 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [1,0,0,0,0,0|1,0,2]=4 2348 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [1,0,0,0,0,0|1,0,2]=4 2349 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [1,0,0,0,0,0|1,0,2]=4 2350 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [1,0,0,0,0,0|1,0,2]=4 2351 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [1,0,0,0,0,0|1,0,2]=4 2352 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [1,0,0,0,0,0|1,0,2]=4 2353 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [1,0,0,0,0,0|1,0,2]=4 2354 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,0,0,0,0,0|0,0,2]=3 2355 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,0,0,0,0,0|0,0,2]=3 2356 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,0,0,0,0,0|0,0,2]=3 2357 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,0,0,0,0,0|2,0,1]=4 2358 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,0,0,0,0,0|0,0,2]=3 2359 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,0,0,0,0,0|0,0,2]=3 2360 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|0,0,0]=1 2361 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|0,0,0]=1 2362 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|0,0,0]=1 2363 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,0,0,0,0,0|2,0,0]=3 2364 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,0,0,0,0,0|2,0,0]=3 2365 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,0,0,0,0,0|2,0,0]=3 2366 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,0,0,0,0,0|2,0,0]=3 2367 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,0,0,0,0,0|2,0,0]=3 2368 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,0,0,0,0,0|2,0,0]=3 2369 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 2370 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 2371 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 2372 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|1,0,0]=2 2373 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,0,0,0,0,0|2,0,1]=4 2374 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,0,0,0,0,0|2,0,1]=4 2375 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,0,0,0,0,0|2,0,1]=4 2376 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,0,0,0,0,0|2,0,1]=4 2377 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,0,0,0,0,0|2,0,1]=4 2378 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,0,0,0,0,0|2,0,1]=4 2379 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,0,0,0,0,0|2,0,1]=4 2380 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,0,0,0,0,0|2,0,1]=4 2381 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|2,0,0]=3 2382 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|2,0,0]=3 2383 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|2,0,0]=3 2384 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,0,0,0,0,0|2,0,1]=4 2385 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,0,0,0,0,0|2,0,1]=4 2386 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,0,0,0,0,0|2,0,1]=4 2387 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,0,0,0,0,0|2,0,1]=4 2388 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,0,0,0,0,0|1,0,2]=4 2389 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,0,0,0,0,0|1,0,2]=4 2390 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,0,0,0,0,0|1,0,2]=4 2391 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,0,0,0,0,0|1,0,2]=4 2392 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|1,0,0]=2 2393 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|2,0,0]=3 2394 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|2,0,0]=3 2395 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|2,0,0]=3 2396 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,0,0,0,0,0|2,0,1]=4 2397 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,0,0,0,0,0|2,0,1]=4 2398 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,0,0,0,0,0|2,0,1]=4 2399 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,0,0,0,0,0|2,0,1]=4 2400 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,0,0,0,0,0|2,0,1]=4 2401 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,0,0,0,0,0|1,0,2]=4 2402 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,0,0,0,0,0|1,0,2]=4 2403 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,0,0,0,0,0|2,0,1]=4 2404 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,0,0,0,0,0|2,0,1]=4 2405 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,0,0,0,0,0|1,0,2]=4 2406 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,0,0,0,0,0|1,0,2]=4 2407 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,0,0,0,0,0|3,0,0]=4 2408 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|2,0,0]=3 2409 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|2,0,0]=3 2410 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|2,0,0]=3 2411 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|2,0,0]=3 2412 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,0,0,0,0,0|2,0,1]=4 2413 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,0,0,0,0,0|2,0,1]=4 2414 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,0,0,0,0,0|1,0,2]=4 2415 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,0,0,0,0,0|1,0,2]=4 2416 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,0,0,0,0,0|1,0,2]=4 2417 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,0,0,0,0,0|1,0,2]=4 2418 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [1,0,0,0,0,0|3,0,0]=4 2419 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,0,0,0,0,0|2,0,1]=4 2420 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,0,0,0,0,0|2,0,1]=4 2421 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|2,0,0]=3 2422 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,0,0,0,0,0|2,0,1]=4 2423 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,0,0,0,0,0|2,0,1]=4 2424 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,0,0,0,0,0|1,0,2]=4 2425 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,0,0,0,0,0|1,0,2]=4 2426 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|3,0,0]=4 2427 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,0,0,0,0,0|2,0,1]=4 2428 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,0,0,0,0,0|2,0,1]=4 2429 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,0,0,0,0,0|2,0,1]=4 2430 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|1,0,0]=2 2431 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|1,0,0]=2 2432 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|1,0,0]=2 2433 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|2,0,0]=3 2434 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|2,0,0]=3 2435 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|2,0,0]=3 2436 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|2,0,0]=3 2437 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,0,0,0,0,0|2,0,1]=4 2438 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,0,0,0,0,0|2,0,1]=4 2439 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,0,0,0,0,0|2,0,1]=4 2440 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,0,0,0,0,0|2,0,1]=4 2441 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,0,0,0,0,0|2,0,1]=4 2442 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,0,0,0,0,0|1,0,2]=4 2443 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,0,0,0,0,0|1,0,2]=4 2444 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,0,0,0,0,0|3,0,0]=4 2445 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,0,0,0,0,0|2,0,1]=4 2446 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,0,0,0,0,0|2,0,0]=3 2447 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,0,0,0,0,0|2,0,1]=4 2448 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,0,0,0,0,0|2,0,1]=4 2449 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|1,0,0]=2 2450 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|1,0,0]=2 2451 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|2,0,0]=3 2452 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|2,0,0]=3 2453 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,0,0,0,0,0|2,0,1]=4 2454 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,0,0,0,0,0|2,0,1]=4 2455 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,0,0,0,0,0|1,0,2]=4 2456 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,0,0,0,0,0|1,0,2]=4 2457 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [1,0,0,0,0,0|3,0,0]=4 2458 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,0,0,0,0,0|2,0,0]=3 2459 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,0,0,0,0,0|2,0,0]=3 2460 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,0,0,0,0,0|2,0,1]=4 2461 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,0,0,0,0,0|2,0,1]=4 2462 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|1,0,0]=2 2463 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|2,0,0]=3 2464 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|2,0,0]=3 2465 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,0,0,0,0,0|2,0,1]=4 2466 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,0,0,0,0,0|2,0,1]=4 2467 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,0,0,0,0,0|2,0,1]=4 2468 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,0,0,0,0,0|2,0,1]=4 2469 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,0,0,0,0,0|1,0,2]=4 2470 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,0,0,0,0,0|1,0,2]=4 2471 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [1,0,0,0,0,0|3,0,0]=4 2472 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,0,0,0,0,0|2,0,0]=3 2473 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,0,0,0,0,0|2,0,0]=3 2474 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,0,0,0,0,0|2,0,0]=3 2475 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,0,0,0,0,0|2,0,0]=3 2476 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,0,0,0,0,0|3,0,0]=4 2477 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,0,0,0,0,0|3,0,0]=4 2478 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,0,0,0,0,0|3,0,0]=4 2479 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,0,0,0,0,0|2,0,0]=3 2480 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,0,0,0,0,0|3,0,0]=4 2481 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,0,0,0,0,0|2,0,1]=4 2482 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,0,0,0,0,0|2,0,1]=4 2483 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|1,0,0]=2 2484 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|1,0,0]=2 2485 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|1,0,0]=2 2486 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|1,0,0]=2 2487 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|2,0,0]=3 2488 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|2,0,0]=3 2489 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,0,0,0,0,0|2,0,1]=4 2490 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,0,0,0,0,0|2,0,1]=4 2491 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,0,0,0,0,0|2,0,1]=4 2492 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,0,0,0,0,0|2,0,1]=4 2493 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,0,0,0,0,0|1,0,2]=4 2494 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,0,0,0,0,0|1,0,2]=4 2495 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,0,0,0,0,0|3,0,0]=4 2496 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,0,0,0,0,0|3,0,0]=4 2497 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,0,0,0,0,0|2,0,0]=3 2498 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,0,0,0,0,0|2,0,0]=3 2499 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,0,0,0,0,0|3,0,0]=4 2500 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,0,0,0,0,0|3,0,0]=4 2501 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,0,0,0,0,0|2,0,0]=3 2502 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,0,0,0,0,0|2,0,0]=3 2503 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,0,0,0,0,0|3,0,0]=4 2504 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,0,0,0,0,0|3,0,0]=4 2505 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,0,0,0,0,0|3,0,0]=4 2506 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,0,0,0,0,0|3,0,0]=4 2507 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|3,0,0]=4 2508 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,0,0,0,0,0|2,0,0]=3 2509 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,0,0,0,0,0|3,0,0]=4 2510 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,0,0,0,0,0|3,0,0]=4 2511 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,0,0,0,0,0|3,0,0]=4 2512 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,0,0,0,0,0|3,0,0]=4 2513 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,0,0,0,0,0|2,0,1]=4 2514 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,0,0,0,0,0|2,0,1]=4 2515 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|1,0,0]=2 2516 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|1,0,0]=2 2517 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|2,0,0]=3 2518 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|2,0,0]=3 2519 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,0,0,0,0,0|2,0,1]=4 2520 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,0,0,0,0,0|2,0,1]=4 2521 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,0,0,0,0,0|1,0,2]=4 2522 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,0,0,0,0,0|1,0,2]=4 2523 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [1,0,0,0,0,0|3,0,0]=4 2524 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 2525 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 2526 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 2527 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,0,0,0,0,0|2,0,0]=3 2528 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,0,0,0,0,0|2,0,0]=3 2529 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,0,0,0,0,0|2,0,0]=3 2530 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,0,0,0,0,0|3,0,0]=4 2531 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,0,0,0,0,0|3,0,0]=4 2532 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,0,0,0,0,0|2,0,0]=3 2533 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,0,0,0,0,0|2,0,0]=3 2534 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,0,0,0,0,0|3,0,0]=4 2535 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,0,0,0,0,0|3,0,0]=4 2536 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,0,0,0,0|2,0,0]=3 2537 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,0,0,0,0,0|2,0,0]=3 2538 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|3,0,0]=4 2539 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|1,0,0]=2 2540 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,0,0,0,0|2,0,0]=3 2541 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,0,0,0,0|2,0,0]=3 2542 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,0,0,0,0,0|2,0,1]=4 2543 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,0,0,0,0,0|2,0,1]=4 2544 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,0,0,0,0,0|2,0,1]=4 2545 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [1,0,0,0,0,0|3,0,0]=4 2546 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [1,0,0,0,0,0|3,0,0]=4 2547 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,0,0,0,0,0|2,0,0]=3 2548 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,0,0,0,0,0|2,0,0]=3 2549 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,0,0,0,0,0|2,0,0]=3 2550 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,0,0,0,0,0|2,0,0]=3 2551 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,0,0,0,0,0|2,0,0]=3 2552 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [1,0,0,0,0,0|2,1,0]=4 2553 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,0,0,0,0,0|2,0,0]=3 2554 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,0,0,0,0,0|3,0,0]=4 2555 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,0,0,0,0,0|3,0,0]=4 2556 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,0,0,0,0,0|3,0,0]=4 2557 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|3,0,0]=4 2558 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,0,0,0,0,0|3,0,0]=4 2559 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,0,0,0,0,0|2,0,0]=3 2560 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,0,0,0,0,0|3,0,0]=4 2561 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,0,0,0,0,0|3,0,0]=4 2562 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,0,0,0,0,0|3,0,0]=4 2563 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,0,0,0,0,0|3,0,0]=4 2564 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,0,0,0,0,0|3,0,0]=4 2565 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,0,0,0,0,0|3,0,0]=4 2566 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,0,0,0,0,0|3,0,0]=4 2567 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,0,0,0,0,0|3,0,0]=4 2568 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|1,0,0]=2 2569 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|1,0,0]=2 2570 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,0,0,0,0,0|2,0,1]=4 2571 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,0,0,0,0,0|2,0,1]=4 2572 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,0,0,0,0,0|3,0,0]=4 2573 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,0,0,0,0,0|2,0,0]=3 2574 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,0,0,0,0,0|2,0,0]=3 2575 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [1,0,0,0,0,0|2,1,0]=4 2576 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [1,0,0,0,0,0|2,1,0]=4 2577 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,0,0,0,0,0|2,0,0]=3 2578 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,0,0,0,0,0|2,0,0]=3 2579 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,0,0,0,0,0|3,0,0]=4 2580 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,0,0,0,0,0|3,0,0]=4 2581 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,0,0,0,0,0|3,0,0]=4 2582 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,0,0,0,0,0|3,0,0]=4 2583 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,0,0,0,0,0|3,0,0]=4 2584 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,0,0,0,0,0|3,0,0]=4 2585 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,0,0,0,0|2,0,0]=3 2586 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,0,0,0,0,0|2,0,1]=4 2587 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,0,0,0,0,0|2,0,1]=4 2588 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,0,0,0,0,0|2,0,1]=4 2589 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,0,0,0,0,0|2,0,0]=3 2590 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,0,0,0,0,0|2,0,0]=3 2591 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,0,0,0,0,0|2,0,0]=3 2592 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,0,0,0,0|2,0,0]=3 2593 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,0,0,0,0|2,0,0]=3 2594 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,0,0,0,0|2,0,0]=3 2595 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,0,0,0,0|2,0,0]=3 2596 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,0,0,0,0,0|2,0,1]=4 2597 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,0,0,0,0,0|2,0,1]=4 2598 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,0,0,0,0,0|2,0,1]=4 2599 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,0,0,0,0,0|2,0,0]=3 2600 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,0,0,0,0,0|2,0,0]=3 2601 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,0,0,0,0,0|2,0,0]=3 2602 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,0,0,0,0,0|2,0,0]=3 2603 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [1,0,0,0,0,0|3,0,0]=4 2604 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [1,0,0,0,0,0|3,0,0]=4 2605 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [1,0,0,0,0,0|3,0,0]=4 2606 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|3,0,0]=4 2607 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [1,0,0,0,0,0|3,0,0]=4 2608 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,0,0,0,0,0|2,0,0]=3 2609 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,0,0,0,0,0|3,0,0]=4 2610 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,0,0,0,0,0|3,0,0]=4 2611 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,0,0,0,0,0|3,0,0]=4 2612 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [1,0,0,0,0,0|3,0,0]=4 2613 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [1,0,0,0,0,0|3,0,0]=4 2614 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [1,0,0,0,0,0|3,0,0]=4 2615 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [1,0,0,0,0,0|3,0,0]=4 2616 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,0,0,0,0,0|3,0,0]=4 2617 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,0,0,0,0,0|3,0,0]=4 2618 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [1,0,0,0,0,0|3,0,0]=4 2619 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,0,0,0,0,0|2,0,0]=3 2620 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,0,0,0,0,0|2,0,0]=3 2621 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,0,0,0,0,0|2,0,0]=3 2622 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,0,0,0,0,0|2,0,0]=3 2623 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,0,0,0,0,0|3,0,0]=4 2624 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,0,0,0,0,0|3,0,0]=4 2625 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,0,0,0,0,0|3,0,0]=4 2626 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,0,0,0,0,0|3,0,0]=4 2627 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [1,0,0,0,0,0|3,0,0]=4 2628 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,0,0,0,0,0|2,0,0]=3 2629 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,0,0,0,0,0|2,0,0]=3 2630 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,0,0,0,0,0|3,0,0]=4 2631 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,0,0,0,0,0|3,0,0]=4 2632 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [1,0,0,0,0,0|3,0,0]=4 2633 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [1,0,0,0,0,0|3,0,0]=4 2634 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [1,0,0,0,0,0|3,0,0]=4 2635 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,0,0,0,0,0|2,0,0]=3 2636 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,0,0,0,0,0|2,0,0]=3 2637 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,0,0,0,0,0|3,0,0]=4 2638 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,0,0,0,0,0|3,0,0]=4 2639 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [1,0,0,0,0,0|3,0,0]=4 2640 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [1,0,0,0,0,0|3,0,0]=4 2641 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [1,0,0,0,0,0|3,0,0]=4 2642 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [1,0,0,0,0,0|3,0,0]=4 2643 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,0,0,0,0|2,0,0]=3 2644 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,0,0,0,0|2,0,0]=3 2645 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,0,0,0,0,0|2,0,1]=4 2646 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,0,0,0,0,0|2,0,1]=4 2647 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,0,0,0,0,0|2,0,0]=3 2648 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,0,0,0,0,0|2,0,0]=3 2649 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,0,0,0,0,0|2,0,0]=3 2650 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,0,0,0,0,0|2,0,0]=3 2651 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,0,0,0,0,0|3,0,0]=4 2652 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,0,0,0,0,0|3,0,0]=4 2653 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,0,0,0,0,0|3,0,0]=4 2654 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,0,0,0,0,0|3,0,0]=4 2655 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,0,0,0,0,0|2,0,0]=3 2656 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,0,0,0,0,0|2,0,0]=3 2657 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,0,0,0,0,0|2,0,0]=3 2658 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,0,0,0,0,0|3,0,0]=4 2659 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 2660 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,0,0,0,0,0|3,0,0]=4 2661 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 2662 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [1,0,0,0,0,0|3,0,0]=4 2663 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,0,0,0,0,0|2,0,0]=3 2664 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,0,0,0,0,0|2,0,0]=3 2665 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,0,0,0,0,0|3,0,0]=4 2666 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,0,0,0,0,0|3,0,0]=4 2667 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [1,0,0,0,0,0|3,0,0]=4 2668 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [1,0,0,0,0,0|3,0,0]=4 2669 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [1,0,0,0,0,0|3,0,0]=4 2670 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [1,0,0,0,0,0|3,0,0]=4 2671 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,0,0,0,0,0|3,0,0]=4 2672 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,0,0,0,0,0|3,0,0]=4 2673 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,0,0,0,0,0|2,0,1]=4 2674 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,0,0,0,0,0|2,0,1]=4 2675 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,0,0,0,0,0|2,0,0]=3 2676 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,0,0,0,0,0|2,0,0]=3 2677 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,0,0,0,0,0|2,0,0]=3 2678 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,0,0,0,0,0|2,0,0]=3 2679 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,0,0,0,0,0|2,0,0]=3 2680 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,0,0,0,0,0|3,0,0]=4 2681 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [1,0,0,0,0,0|3,0,0]=4 2682 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,0,0,0,0,0|3,0,0]=4 2683 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,0,0,0,0,0|3,0,0]=4 2684 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,0,0,0,0,0|3,0,0]=4 2685 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|1,0,0]=2 2686 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,0,0,0,0,0|3,0,0]=4 2687 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,0,0,0,0,0|3,0,0]=4 2688 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 2689 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 2690 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 2691 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,0,0,0,0,0|2,0,0]=3 2692 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,0,0,0,0,0|2,0,0]=3 2693 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,0,0,0,0,0|3,0,0]=4 2694 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|3,0,0]=4 2695 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,0,0,0,0,0|2,0,0]=3 2696 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,0,0,0,0,0|3,0,0]=4 2697 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,0,0,0,0,0|3,0,0]=4 2698 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,0,0,0,0,0|3,0,0]=4 2699 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,0,0,0,0,0|3,0,0]=4 2700 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,0,0,0,0,0|3,0,0]=4 2701 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,0,0,0,0,0|3,0,0]=4 2702 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,0,0,0,0,0|3,0,0]=4 2703 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [1,0,0,0,0,0|3,0,0]=4 2704 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,0,0,0,0,0|2,0,0]=3 2705 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,0,0,0,0,0|2,0,0]=3 2706 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,0,0,0,0,0|3,0,0]=4 2707 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 2708 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 2709 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [1,0,0,0,0,0|3,0,0]=4 2710 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,0,0,0,0,0|2,0,0]=3 2711 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,0,0,0,0,0|2,0,0]=3 2712 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,0,0,0,0,0|3,0,0]=4 2713 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,0,0,0,0,0|3,0,0]=4 2714 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [1,0,0,0,0,0|3,0,0]=4 2715 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [1,0,0,0,0,0|3,0,0]=4 2716 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,0,0,0,0,0|3,0,0]=4 2717 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [1,0,0,0,0,0|3,0,0]=4 2718 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [1,0,0,0,0,0|3,0,0]=4 2719 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [1,0,0,0,0,0|3,0,0]=4 2720 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,0,0,0,0,0|2,0,0]=3 2721 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,0,0,0,0,0|2,0,0]=3 2722 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,0,0,0,0,0|2,0,0]=3 2723 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,0,0,0,0,0|2,0,0]=3 2724 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,0,0,0,0,0|3,0,0]=4 2725 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 2726 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 2727 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 2728 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [1,0,0,0,0,0|3,0,0]=4 2729 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [1,0,0,0,0,0|3,0,0]=4 2730 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [1,0,0,0,0,0|3,0,0]=4 2731 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [1,0,0,0,0,0|3,0,0]=4 2732 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,0,0,0,0,0|2,0,0]=3 2733 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,0,0,0,0,0|2,0,0]=3 2734 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,0,0,0,0,0|3,0,0]=4 2735 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,0,0,0,0,0|3,0,0]=4 2736 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [1,0,0,0,0,0|3,0,0]=4 2737 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [1,0,0,0,0,0|3,0,0]=4 2738 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [1,0,0,0,0,0|3,0,0]=4 2739 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [1,0,0,0,0,0|3,0,0]=4 2740 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,0,0,0,0,0|2,0,0]=3 2741 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,0,0,0,0,0|2,0,0]=3 2742 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [1,0,0,0,0,0|3,0,0]=4 2743 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [1,0,0,0,0,0|3,0,0]=4 2744 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [1,0,0,0,0,0|3,0,0]=4 2745 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [1,0,0,0,0,0|3,0,0]=4 2746 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [1,0,0,0,0,0|3,0,0]=4 2747 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [1,0,0,0,0,0|3,0,0]=4 2748 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,0,0,0,0,0|2,0,0]=3 2749 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,0,0,0,0,0|2,0,0]=3 2750 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,0,0,0,0,0|3,0,0]=4 2751 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,0,0,0,0,0|3,0,0]=4 2752 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,0,0,0,0,0|3,0,0]=4 2753 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,0,0,0,0,0|3,0,0]=4 2754 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,0,0,0,0,0|2,0,0]=3 2755 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,0,0,0,0,0|3,0,0]=4 2756 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,0,0,0,0,0|3,0,0]=4 2757 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [1,0,0,0,0,0|3,0,0]=4 2758 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,0,0,0,0,0|3,0,0]=4 2759 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [1,0,0,0,0,0|3,0,0]=4 2760 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [1,0,0,0,0,0|3,0,0]=4 2761 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [1,0,0,0,0,0|3,0,0]=4 2762 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,0,0,0,0,0|2,0,0]=3 2763 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,0,0,0,0,0|2,0,0]=3 2764 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,0,0,0,0,0|2,0,0]=3 2765 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,0,0,0,0,0|2,0,0]=3 2766 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,0,0,0,0,0|3,0,0]=4 2767 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,0,0,0,0,0|3,0,0]=4 2768 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [1,0,0,0,0,0|3,0,0]=4 2769 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [1,0,0,0,0,0|3,0,0]=4 2770 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [1,0,0,0,0,0|3,0,0]=4 2771 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [1,0,0,0,0,0|3,0,0]=4 2772 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [1,0,0,0,0,0|3,0,0]=4 2773 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [1,0,0,0,0,0|3,0,0]=4 2774 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,0,0,0,0,0|2,0,0]=3 2775 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,0,0,0,0,0|2,0,0]=3 2776 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,0,0,0,0,0|3,0,0]=4 2777 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,0,0,0,0,0|3,0,0]=4 2778 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [1,0,0,0,0,0|3,0,0]=4 2779 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [1,0,0,0,0,0|3,0,0]=4 2780 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [1,0,0,0,0,0|3,0,0]=4 2781 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [1,0,0,0,0,0|3,0,0]=4 2782 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,0,0,0,0,0|3,0,0]=4 2783 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [1,0,0,0,0,0|3,0,0]=4 2784 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,0,0,0,0,0|3,0,0]=4 2785 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [1,0,0,0,0,0|3,0,0]=4 2786 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,0,0,0,0,0|2,0,0]=3 2787 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,0,0,0,0,0|2,0,0]=3 2788 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [1,0,0,0,0,0|3,0,0]=4 2789 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [1,0,0,0,0,0|3,0,0]=4 2790 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [1,0,0,0,0,0|3,0,0]=4 2791 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [1,0,0,0,0,0|3,0,0]=4 2792 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 2793 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 2794 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,0,0,0,0,0|3,0,0]=4 2795 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,0,0,0,0,0|3,0,0]=4 2796 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,0,0,0,0,0|3,0,0]=4 2797 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,0,0,0,0,0|3,0,0]=4 2798 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 2799 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 2800 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 2801 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 2802 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,0,0,0,0,0|3,0,0]=4 2803 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,0,0,0,0,0|3,0,0]=4 2804 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,0,0,0,0,0|3,0,0]=4 2805 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,0,0,0,0,0|3,0,0]=4 2806 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,0,0,0,0,0|3,0,0]=4 2807 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,0,0,0,0,0|3,0,0]=4 2808 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,0,0,0,0,0|3,0,0]=4 2809 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,0,0,0,0,0|3,0,0]=4 2810 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,0,0,0,0,0|3,0,0]=4 2811 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,0,0,0,0,0|3,0,0]=4 2812 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,0,0,0,0,0|3,0,0]=4 2813 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 2814 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,0,0,0,0,0|3,0,0]=4 2815 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,0,0,0,0,0|3,0,0]=4 2816 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 2817 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 2818 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,0,0,0,0,0|3,0,0]=4 2819 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 2820 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,0,0,0,0,0|3,0,0]=4 2821 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,0,0,0,0,0|3,0,0]=4 2822 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,0,0,0,0,0|3,0,0]=4 2823 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,0,0,0,0,0|3,0,0]=4 2824 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,0,0,0,0,0|3,0,0]=4 2825 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,0,0,0,0,0|3,0,0]=4 2826 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 2827 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,0,0,0,0,0|3,0,0]=4 2828 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,0,0,0,0,0|3,0,0]=4 2829 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,0,0,0,0,0|3,0,0]=4 2830 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,0,0,0,0,0|3,0,0]=4 2831 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 2832 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 2833 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 2834 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 2835 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 2836 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 2837 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 2838 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,0,0,0,0,0|3,0,0]=4 2839 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,0,0,0,0,0|3,0,0]=4 2840 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,0,0,0,0,0|3,0,0]=4 2841 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,0,0,0,0,0|3,0,0]=4 2842 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 2843 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,0,0,0,0,0|3,0,0]=4 2844 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 2845 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,0,0,0,0,0|3,0,0]=4 2846 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|3,0,0]=4 2847 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|3,0,0]=4 2848 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,0,0,0,0,0|3,0,0]=4 2849 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,0,0,0,0,0|3,0,0]=4 2850 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,0,0,0,0,0|3,0,0]=4 2851 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,0,0,0,0,0|3,0,0]=4 2852 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,0,0,0,0,0|3,0,0]=4 2853 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,0,0,0,0,0|3,0,0]=4 2854 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,0,0,0,0,0|3,0,0]=4 2855 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,0,0,0,0,0|3,0,0]=4 2856 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,0,0,0,0,0|3,0,0]=4 2857 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|1,0,0]=2 2858 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [1,0,0,0,0,0|3,0,0]=4 2859 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [1,0,0,0,0,0|3,0,0]=4 2860 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,0,0,0,0,0|1,0,2]=4 2861 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,0,0,0,0,0|1,0,2]=4 2862 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,0,0,0,0,0|1,0,2]=4 2863 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,0,0,0,0,0|1,0,2]=4 2864 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,0,0,0,0,0|1,0,2]=4 2865 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,0,0,0,0,0|1,0,2]=4 2866 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,0,0,0,0,0|1,0,2]=4 2867 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,0,0,0,0,0|1,0,2]=4 2868 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,0,0,0,0,0|1,0,2]=4 2869 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,0,0,0,0,0|1,0,2]=4 2870 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,0,0,0,0,0|1,0,2]=4 2871 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,0,0,0,0,0|1,0,2]=4 2872 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,0,0,0,0,0|1,0,2]=4 2873 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,0,0,0,0,0|1,0,2]=4 2874 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,0,0,0,0,0|1,0,2]=4 2875 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,0,0,0,0,0|1,0,2]=4 2876 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,0,0,0,0,0|1,0,2]=4 2877 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,0,0,0,0,0|1,0,2]=4 2878 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [1,0,0,0,0,0|1,0,2]=4 2879 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [1,0,0,0,0,0|1,0,2]=4 2880 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,0,0,0,0,0|1,0,2]=4 2881 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,0,0,0,0,0|1,0,2]=4 2882 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,0,0,0,0,0|1,0,2]=4 2883 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [1,0,0,0,0,0|1,0,2]=4 2884 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [1,0,0,0,0,0|1,0,2]=4 2885 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [1,0,0,0,0,0|1,0,2]=4 2886 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [1,0,0,0,0,0|1,0,2]=4 2887 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [1,0,0,0,0,0|1,0,2]=4 2888 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [1,0,0,0,0,0|1,0,2]=4 2889 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [1,0,0,0,0,0|1,0,2]=4 2890 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [1,0,0,0,0,0|1,0,2]=4 2891 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,0,0,0,0,0|1,0,2]=4 2892 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,0,0,0,0,0|1,0,2]=4 2893 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,0,0,0,0,0|1,0,2]=4 2894 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,0,0,0,0,0|1,0,2]=4 2895 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [1,0,0,0,0,0|1,0,2]=4 2896 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [1,0,0,0,0,0|1,0,2]=4 2897 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [1,0,0,0,0,0|1,0,2]=4 2898 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [1,0,0,0,0,0|1,0,2]=4 2899 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [1,0,0,0,0,0|1,0,2]=4 2900 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,0,0,0,0,0|1,0,2]=4 2901 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,0,0,0,0,0|1,0,2]=4 2902 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,0,0,0,0,0|1,0,2]=4 2903 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,0,0,0,0,0|1,0,2]=4 2904 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [1,0,0,0,0,0|1,0,2]=4 2905 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [1,0,0,0,0,0|1,0,2]=4 2906 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [1,0,0,0,0,0|1,0,2]=4 2907 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [1,0,0,0,0,0|1,0,2]=4 2908 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [1,0,0,0,0,0|1,0,2]=4 2909 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [1,0,0,0,0,0|1,0,2]=4 2910 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,0,0,0,0,0|1,0,2]=4 2911 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,0,0,0,0,0|1,0,2]=4 2912 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,0,0,0,0,0|1,0,2]=4 2913 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [1,0,0,0,0,0|1,0,2]=4 2914 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [1,0,0,0,0,0|1,0,2]=4 2915 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [1,0,0,0,0,0|1,0,2]=4 2916 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [1,0,0,0,0,0|1,0,2]=4 2917 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,0,0,0,0,0|1,0,2]=4 2918 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,0,0,0,0,0|1,0,2]=4 2919 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,0,0,0,0,0|1,0,2]=4 2920 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,0,0,0,0,0|1,0,2]=4 2921 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,0,0,0,0,0|1,0,2]=4 2922 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [1,0,0,0,0,0|1,0,2]=4 2923 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,0,0,0,0,0|1,0,2]=4 2924 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|1,0,1]=3 2925 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,0,0,0,0,0|2,0,1]=4 2926 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,0,0,0,0,0|2,0,1]=4 2927 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,0,0,0,0,0|2,0,1]=4 2928 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,0,0,0,0,0|2,0,1]=4 2929 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,0,0,0,0,0|2,0,1]=4 2930 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,0,0,0,0,0|2,0,1]=4 2931 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,0,0,0,0,0|2,0,1]=4 2932 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,0,0,0,0,0|2,0,1]=4 2933 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,0,0,0,0,0|2,0,1]=4 2934 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,0,0,0,0,0|2,0,1]=4 2935 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|1,0,1]=3 2936 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|1,0,1]=3 2937 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|1,0,1]=3 2938 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,0,0,0,0,0|2,0,1]=4 2939 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,0,0,0,0,0|2,0,1]=4 2940 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,0,0,0,0,0|2,0,1]=4 2941 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,0,0,0,0,0|2,0,1]=4 2942 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,0,0,0,0,0|2,0,1]=4 2943 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,0,0,0,0,0|2,0,1]=4 2944 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,0,0,0,0,0|2,0,1]=4 2945 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,0,0,0,0,0|2,0,1]=4 2946 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,0,0,0,0,0|2,0,1]=4 2947 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,0,0,0,0,0|2,0,1]=4 2948 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,0,0,0,0,0|2,0,1]=4 2949 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,0,0,0,0,0|2,0,1]=4 2950 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,0,0,0,0,0|2,0,1]=4 2951 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,0,0,0,0,0|2,0,1]=4 2952 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,0,0,0,0,0|2,0,1]=4 2953 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,0,0,0,0,0|2,0,1]=4 2954 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,0,0,0,0,0|2,0,1]=4 2955 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,0,0,0,0,0|2,0,1]=4 2956 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,0,0,0,0,0|2,0,1]=4 2957 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,0,0,0,0,0|2,0,1]=4 2958 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,0,0,0,0,0|2,0,1]=4 2959 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,0,0,0,0,0|2,0,1]=4 2960 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [1,0,0,0,0,0|1,0,2]=4 2961 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [1,0,0,0,0,0|1,0,2]=4 2962 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|1,0,1]=3 2963 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|1,0,1]=3 2964 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,0,0,0,0,0|2,0,1]=4 2965 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,0,0,0,0,0|2,0,1]=4 2966 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,0,0,0,0,0|2,0,1]=4 2967 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,0,0,0,0,0|2,0,1]=4 2968 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,0,0,0,0,0|2,0,1]=4 2969 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,0,0,0,0,0|2,0,1]=4 2970 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,0,0,0,0,0|2,0,1]=4 2971 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,0,0,0,0,0|2,0,1]=4 2972 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,0,0,0,0,0|2,0,1]=4 2973 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,0,0,0,0,0|2,0,1]=4 2974 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,0,0,0,0,0|2,0,1]=4 2975 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,0,0,0,0,0|2,0,1]=4 2976 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|1,0,1]=3 2977 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|1,0,1]=3 2978 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|1,0,1]=3 2979 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|1,0,1]=3 2980 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|1,0,1]=3 2981 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|1,0,1]=3 2982 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|1,0,1]=3 2983 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|1,0,1]=3 2984 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|1,0,1]=3 2985 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|1,0,1]=3 2986 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|1,0,1]=3 2987 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|1,0,1]=3 2988 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|1,0,1]=3 2989 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|1,0,1]=3 2990 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|1,0,1]=3 2991 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|1,0,1]=3 2992 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [1,0,0,0,0,0|2,0,1]=4 2993 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [1,0,0,0,0,0|2,0,1]=4 2994 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|1,0,1]=3 2995 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|1,0,1]=3 2996 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [1,0,0,0,0,0|2,0,1]=4 2997 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [1,0,0,0,0,0|2,0,1]=4 2998 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [1,0,0,0,0,0|2,0,1]=4 2999 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,0,0,0,0,0|2,0,1]=4 3000 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,0,0,0,0,0|2,0,1]=4 3001 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,0,0,0,0,0|1,0,2]=4 3002 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,0,0,0,0,0|1,0,2]=4 3003 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [1,0,0,0,0,0|2,0,1]=4 3004 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|1,0,1]=3 3005 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|1,0,1]=3 3006 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|1,0,1]=3 3007 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [1,0,0,0,0,0|2,0,1]=4 3008 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [1,0,0,0,0,0|2,0,1]=4 3009 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,0,0,0,0,0|2,0,1]=4 3010 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,0,0,0,0,0|2,0,1]=4 3011 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,0,0,0,0,0|2,0,1]=4 3012 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [1,0,0,0,0,0|2,0,1]=4 3013 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [1,0,0,0,0,0|1,0,2]=4 3014 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [1,0,0,0,0,0|1,0,2]=4 3015 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|1,0,1]=3 3016 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|1,0,1]=3 3017 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [1,0,0,0,0,0|2,0,1]=4 3018 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [1,0,0,0,0,0|2,0,1]=4 3019 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,0,0,0,0,0|2,0,1]=4 3020 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,0,0,0,0,0|2,0,1]=4 3021 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [1,0,0,0,0,0|2,0,1]=4 3022 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [1,0,0,0,0,0|2,0,1]=4 3023 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [1,0,0,0,0,0|2,0,1]=4 3024 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [1,0,0,0,0,0|2,0,1]=4 3025 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|1,0,1]=3 3026 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|1,0,1]=3 3027 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|1,0,1]=3 3028 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|1,0,1]=3 3029 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [1,0,0,0,0,0|2,0,1]=4 3030 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [1,0,0,0,0,0|2,0,1]=4 3031 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [1,0,0,0,0,0|2,0,1]=4 3032 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [1,0,0,0,0,0|2,0,1]=4 3033 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,0,0,0,0,0|2,0,1]=4 3034 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,0,0,0,0,0|2,0,1]=4 3035 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,0,0,0,0,0|2,0,1]=4 3036 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,0,0,0,0,0|2,0,1]=4 3037 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,0,0,0,0,0|2,0,1]=4 3038 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [1,0,0,0,0,0|2,0,1]=4 3039 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [1,0,0,0,0,0|2,0,1]=4 3040 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [1,0,0,0,0,0|2,0,1]=4 3041 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [1,0,0,0,0,0|2,0,1]=4 3042 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|1,0,1]=3 3043 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|1,0,1]=3 3044 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|1,0,1]=3 3045 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|1,0,1]=3 3046 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [1,0,0,0,0,0|2,0,1]=4 3047 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [1,0,0,0,0,0|2,0,1]=4 3048 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [1,0,0,0,0,0|2,0,1]=4 3049 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [1,0,0,0,0,0|2,0,1]=4 3050 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,0,0,0,0,0|2,0,1]=4 3051 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,0,0,0,0,0|2,0,1]=4 3052 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,0,0,0,0,0|2,0,1]=4 3053 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,0,0,0,0,0|2,0,1]=4 3054 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,0,0,0,0,0|2,0,1]=4 3055 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,0,0,0,0,0|2,0,1]=4 3056 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,0,0,0,0,0|2,0,1]=4 3057 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,0,0,0,0,0|2,0,1]=4 3058 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,0,0,0,0,0|2,0,1]=4 3059 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,0,0,0,0,0|2,0,1]=4 3060 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|1,0,1]=3 3061 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|1,0,1]=3 3062 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [1,0,0,0,0,0|2,0,1]=4 3063 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [1,0,0,0,0,0|2,0,1]=4 3064 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,0,0,0,0,0|2,0,1]=4 3065 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,0,0,0,0,0|2,0,1]=4 3066 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,0,0,0,0,0|2,0,1]=4 3067 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,0,0,0,0,0|2,0,1]=4 3068 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [1,0,0,0,0,0|2,0,1]=4 3069 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [1,0,0,0,0,0|2,0,1]=4 3070 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [1,0,0,0,0,0|2,0,1]=4 3071 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [1,0,0,0,0,0|2,0,1]=4 3072 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [1,0,0,0,0,0|1,0,2]=4 3073 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|1,0,1]=3 3074 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|1,0,1]=3 3075 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|1,0,1]=3 3076 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [1,0,0,0,0,0|2,0,1]=4 3077 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [1,0,0,0,0,0|2,0,1]=4 3078 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,0,0,0,0,0|2,0,1]=4 3079 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,0,0,0,0,0|2,0,1]=4 3080 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,0,0,0,0,0|2,0,1]=4 3081 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,0,0,0,0,0|2,0,1]=4 3082 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [1,0,0,0,0,0|2,0,1]=4 3083 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [1,0,0,0,0,0|2,0,1]=4 3084 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [1,0,0,0,0,0|2,0,1]=4 3085 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [1,0,0,0,0,0|2,0,1]=4 3086 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [1,0,0,0,0,0|2,0,1]=4 3087 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [1,0,0,0,0,0|2,0,1]=4 3088 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [1,0,0,0,0,0|2,0,1]=4 3089 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [1,0,0,0,0,0|2,0,1]=4 3090 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [1,0,0,0,0,0|2,0,1]=4 3091 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [1,0,0,0,0,0|2,0,1]=4 3092 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [1,0,0,0,0,0|2,0,1]=4 3093 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [1,0,0,0,0,0|1,0,2]=4 3094 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [1,0,0,0,0,0|2,0,1]=4 3095 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|1,0,1]=3 3096 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|1,0,1]=3 3097 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|1,0,1]=3 3098 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|1,0,1]=3 3099 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [1,0,0,0,0,0|2,0,1]=4 3100 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [1,0,0,0,0,0|2,0,1]=4 3101 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [1,0,0,0,0,0|2,0,1]=4 3102 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [1,0,0,0,0,0|2,0,1]=4 3103 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [1,0,0,0,0,0|2,0,1]=4 3104 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [1,0,0,0,0,0|2,0,1]=4 3105 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [1,0,0,0,0,0|2,0,1]=4 3106 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,0,0,0,0,0|2,0,1]=4 3107 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,0,0,0,0,0|2,0,1]=4 3108 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,0,0,0,0,0|2,0,1]=4 3109 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [1,0,0,0,0,0|2,0,1]=4 3110 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [1,0,0,0,0,0|2,0,1]=4 3111 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [1,0,0,0,0,0|2,0,1]=4 3112 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [1,0,0,0,0,0|2,0,1]=4 3113 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [1,0,0,0,0,0|2,0,1]=4 3114 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [1,0,0,0,0,0|2,0,1]=4 3115 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [1,0,0,0,0,0|2,0,1]=4 3116 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [1,0,0,0,0,0|2,0,1]=4 3117 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [1,0,0,0,0,0|2,0,1]=4 3118 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [1,0,0,0,0,0|2,0,1]=4 3119 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [1,0,0,0,0,0|2,0,1]=4 3120 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [1,0,0,0,0,0|2,0,1]=4 3121 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [1,0,0,0,0,0|2,0,1]=4 3122 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [1,0,0,0,0,0|2,0,1]=4 3123 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [1,0,0,0,0,0|1,0,2]=4 3124 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [1,0,0,0,0,0|1,0,2]=4 3125 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|1,0,1]=3 3126 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|1,0,1]=3 3127 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [1,0,0,0,0,0|2,0,1]=4 3128 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [1,0,0,0,0,0|2,0,1]=4 3129 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,0,0,0,0,0|2,0,1]=4 3130 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,0,0,0,0,0|2,0,1]=4 3131 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [1,0,0,0,0,0|2,0,1]=4 3132 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [1,0,0,0,0,0|2,0,1]=4 3133 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [1,0,0,0,0,0|2,0,1]=4 3134 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [1,0,0,0,0,0|2,0,1]=4 3135 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [1,0,0,0,0,0|2,0,1]=4 3136 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [1,0,0,0,0,0|2,0,1]=4 3137 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [1,0,0,0,0,0|1,0,2]=4 3138 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|1,0,1]=3 3139 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|1,0,1]=3 3140 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,0,0,0,0,0|2,0,1]=4 3141 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,0,0,0,0,0|2,0,1]=4 3142 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,0,0,0,0,0|2,0,1]=4 3143 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,0,0,0,0,0|2,0,1]=4 3144 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,0,0,0,0,0|2,0,1]=4 3145 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,0,0,0,0,0|2,0,1]=4 3146 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,0,0,0,0,0|2,0,1]=4 3147 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,0,0,0,0,0|2,0,1]=4 3148 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,0,0,0,0,0|2,0,1]=4 3149 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,0,0,0,0,0|2,0,1]=4 3150 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,0,0,0,0,0|2,0,1]=4 3151 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,0,0,0,0,0|2,0,1]=4 3152 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,0,0,0,0,0|2,0,1]=4 3153 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,0,0,0,0,0|2,0,1]=4 3154 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,0,0,0,0,0|2,0,1]=4 3155 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|1,0,1]=3 3156 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|1,0,1]=3 3157 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|1,0,1]=3 3158 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,0,0,0,0,0|2,0,1]=4 3159 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,0,0,0,0,0|2,0,1]=4 3160 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,0,0,0,0,0|2,0,1]=4 3161 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,0,0,0,0,0|2,0,1]=4 3162 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,0,0,0,0,0|2,0,1]=4 3163 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,0,0,0,0,0|2,0,1]=4 3164 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|2,0,1]=4 3165 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,0,0,0,0,0|2,0,1]=4 3166 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,0,0,0,0,0|2,0,1]=4 3167 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,0,0,0,0,0|2,0,1]=4 3168 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,0,0,0,0,0|2,0,1]=4 3169 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,0,0,0,0,0|2,0,1]=4 3170 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,0,0,0,0,0|2,0,1]=4 3171 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,0,0,0,0,0|2,0,1]=4 3172 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,0,0,0,0,0|2,0,1]=4 3173 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,0,0,0,0,0|2,0,1]=4 3174 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,0,0,0,0,0|2,0,1]=4 3175 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,0,0,0,0,0|2,0,1]=4 3176 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,0,0,0,0,0|2,0,1]=4 3177 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,0,0,0,0,0|2,0,1]=4 3178 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,0,0,0,0,0|2,0,1]=4 3179 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,0,0,0,0,0|2,0,1]=4 3180 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [1,0,0,0,0,0|1,0,2]=4 3181 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [1,0,0,0,0,0|1,0,2]=4 3182 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|1,0,1]=3 3183 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|1,0,1]=3 3184 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,0,0,0,0,0|2,0,1]=4 3185 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,0,0,0,0,0|2,0,1]=4 3186 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,0,0,0,0,0|2,0,1]=4 3187 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,0,0,0,0,0|2,0,1]=4 3188 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,0,0,0,0,0|2,0,1]=4 3189 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,0,0,0,0,0|2,0,1]=4 3190 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,0,0,0,0,0|2,0,1]=4 3191 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,0,0,0,0,0|2,0,1]=4 3192 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,0,0,0,0,0|2,0,1]=4 3193 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,0,0,0,0,0|2,0,1]=4 3194 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,0,0,0,0,0|2,0,1]=4 3195 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,0,0,0,0,0|2,0,1]=4 3196 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [1,0,0,0,0,0|1,0,2]=4 3197 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|1,0,1]=3 3198 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|1,0,1]=3 3199 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,0,0,0,0,0|2,0,1]=4 3200 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,0,0,0,0,0|2,0,1]=4 3201 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,0,0,0,0,0|2,0,1]=4 3202 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,0,0,0,0,0|2,0,1]=4 3203 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,0,0,0,0,0|2,0,1]=4 3204 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,0,0,0,0,0|2,0,1]=4 3205 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,0,0,0,0,0|2,0,1]=4 3206 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,0,0,0,0,0|2,0,1]=4 3207 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,0,0,0,0,0|2,0,1]=4 3208 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,0,0,0,0,0|2,0,1]=4 3209 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,0,0,0,0,0|2,0,1]=4 3210 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,0,0,0,0,0|2,0,1]=4 3211 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|1,0,1]=3 3212 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|1,0,1]=3 3213 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|1,0,1]=3 3214 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,0,0,0,0,0|2,0,1]=4 3215 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,0,0,0,0,0|2,0,1]=4 3216 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,0,0,0,0,0|2,0,1]=4 3217 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,0,0,0,0,0|2,0,1]=4 3218 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,0,0,0,0,0|2,0,1]=4 3219 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,0,0,0,0,0|2,0,1]=4 3220 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,0,0,0,0|2,0,1]=4 3221 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,0,0,0,0,0|2,0,1]=4 3222 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,0,0,0,0,0|2,0,1]=4 3223 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,0,0,0,0,0|2,0,1]=4 3224 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,0,0,0,0,0|2,0,1]=4 3225 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,0,0,0,0,0|2,0,1]=4 3226 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,0,0,0,0,0|2,0,1]=4 3227 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,0,0,0,0,0|2,0,1]=4 3228 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,0,0,0,0,0|2,0,1]=4 3229 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [1,0,0,0,0,0|1,0,2]=4 3230 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [1,0,0,0,0,0|1,0,2]=4 3231 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|1,0,1]=3 3232 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|1,0,1]=3 3233 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,0,0,0,0,0|2,0,1]=4 3234 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,0,0,0,0,0|2,0,1]=4 3235 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,0,0,0,0,0|2,0,1]=4 3236 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,0,0,0,0,0|2,0,1]=4 3237 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,0,0,0,0,0|2,0,1]=4 3238 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,0,0,0,0,0|2,0,1]=4 3239 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,0,0,0,0,0|2,0,1]=4 3240 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,0,0,0,0,0|2,0,1]=4 3241 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,0,0,0,0,0|2,0,1]=4 3242 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,0,0,0,0,0|2,0,1]=4 3243 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,0,0,0,0,0|2,0,1]=4 3244 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,0,0,0,0,0|2,0,1]=4 3245 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,0,0,0,0,0|2,0,1]=4 3246 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,0,0,0,0,0|2,0,1]=4 3247 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,0,0,0,0,0|2,0,1]=4 3248 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,0,0,0,0,0|2,0,1]=4 3249 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,0,0,0,0,0|1,0,2]=4 3250 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [1,0,0,0,0,0|1,0,2]=4 3251 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,0,0,0,0,0|1,0,2]=4 3252 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,0,0,0,0,0|1,0,2]=4 3253 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,0,0,0,0,0|1,0,2]=4 3254 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,0,0,0,0,0|1,0,2]=4 3255 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,0,0,0,0,0|1,0,2]=4 3256 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,0,0,0,0,0|1,0,2]=4 3257 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [1,0,0,0,0,0|1,0,2]=4 3258 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [1,0,0,0,0,0|1,0,2]=4 3259 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,0,0,0,0,0|1,0,2]=4 3260 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,0,0,0,0,0|1,0,2]=4 3261 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [1,0,0,0,0,0|1,0,2]=4 3262 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [1,0,0,0,0,0|1,0,2]=4 3263 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,0,0,0,0|1,0,2]=4 3264 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|1,0,2]=4 3265 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|1,0,2]=4 3266 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|1,0,2]=4 3267 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|1,0,2]=4 3268 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [1,0,0,0,0,0|1,0,2]=4 3269 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [1,0,0,0,0,0|1,0,2]=4 3270 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,0,0,0,0,0|1,0,2]=4 3271 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|1,0,1]=3 3272 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,0,0,0,0,0|2,0,1]=4 3273 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,0,0,0,0,0|2,0,1]=4 3274 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,0,0,0,0,0|2,0,1]=4 3275 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,0,0,0,0,0|2,0,1]=4 3276 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|1,0,1]=3 3277 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,0,0,0,0,0|2,0,1]=4 3278 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,0,0,0,0,0|2,0,1]=4 3279 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,0,0,0,0,0|2,0,1]=4 3280 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,0,0,0,0,0|2,0,1]=4 3281 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,0,0,0,0,0|2,0,1]=4 3282 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,0,0,0,0,0|2,0,1]=4 3283 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,0,0,0,0,0|2,0,1]=4 3284 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,0,0,0,0,0|2,0,1]=4 3285 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,0,0,0,0,0|2,0,1]=4 3286 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|1,0,1]=3 3287 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|1,0,1]=3 3288 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,0,0,0,0,0|2,0,1]=4 3289 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,0,0,0,0,0|2,0,1]=4 3290 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,0,0,0,0,0|2,0,1]=4 3291 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,0,0,0,0,0|2,0,1]=4 3292 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,0,0,0,0,0|2,0,1]=4 3293 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,0,0,0,0,0|2,0,1]=4 3294 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,0,0,0,0,0|2,0,1]=4 3295 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,0,0,0,0,0|2,0,1]=4 3296 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,0,0,0,0,0|2,0,1]=4 3297 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,0,0,0,0,0|2,0,1]=4 3298 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,0,0,0,0,0|2,0,1]=4 3299 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,0,0,0,0,0|2,0,1]=4 3300 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,0,0,0,0,0|2,0,1]=4 3301 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,0,0,0,0,0|2,0,1]=4 3302 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,0,0,0,0,0|2,0,1]=4 3303 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,0,0,0,0,0|2,0,1]=4 3304 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [1,0,0,0,0,0|1,0,2]=4 3305 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [1,0,0,0,0,0|1,0,2]=4 3306 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|1,0,1]=3 3307 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|1,0,1]=3 3308 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,0,0,0,0,0|2,0,1]=4 3309 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,0,0,0,0,0|2,0,1]=4 3310 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,0,0,0,0,0|2,0,1]=4 3311 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,0,0,0,0,0|2,0,1]=4 3312 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,0,0,0,0,0|2,0,1]=4 3313 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,0,0,0,0,0|2,0,1]=4 3314 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,0,0,0,0,0|2,0,1]=4 3315 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,0,0,0,0,0|2,0,1]=4 3316 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,0,0,0,0,0|2,0,1]=4 3317 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,0,0,0,0,0|2,0,1]=4 3318 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,0,0,0,0,0|2,0,1]=4 3319 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,0,0,0,0,0|2,0,1]=4 3320 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [1,0,0,0,0,0|1,0,2]=4 3321 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [1,0,0,0,0,0|1,0,2]=4 3322 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [1,0,0,0,0,0|1,0,2]=4 3323 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [1,0,0,0,0,0|1,0,2]=4 3324 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [1,0,0,0,0,0|1,0,2]=4 3325 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [1,0,0,0,0,0|1,0,2]=4 3326 B10R0.71 CCCCC#CCCCNC 2230a_106832991635_200000047210 [1,0,0,0,0,0|1,0,2]=4 3327 B10R0.71 CCCCC#CCCCNC 34a_100102657272_200000047210 [1,0,0,0,0,0|1,0,2]=4 3328 B10R0.71 CCCCC#CCCCNC 7a_106832991635_200000047210 [1,0,0,0,0,0|1,0,2]=4 3329 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [1,0,0,0,0,0|1,0,2]=4 3330 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [1,0,0,0,0,0|1,0,2]=4 3331 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [1,0,0,0,0,0|1,0,2]=4 3332 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [1,0,0,0,0,0|1,0,2]=4 3333 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [1,0,0,0,0,0|1,0,2]=4 3334 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [1,0,0,0,0,0|1,0,2]=4 3335 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [1,0,0,0,0,0|1,0,2]=4 3336 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,0,0,0,0|1,0,2]=4 3337 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,0,0,0,0|1,0,2]=4 3338 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,0,0,0,0|1,0,2]=4 3339 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,0,0,0,0|1,0,2]=4 3340 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,0,0,0,0,0|1,0,2]=4 3341 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,0,0,0,0,0|1,0,2]=4 3342 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,0,0,0,0,0|1,0,2]=4 3343 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,0,0,0,0,0|1,0,2]=4 3344 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|1,0,2]=4 3345 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|1,0,2]=4 3346 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|1,0,2]=4 3347 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|1,0,2]=4 3348 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,0,0,0,0,0|1,0,2]=4 3349 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,0,0,0,0,0|1,0,2]=4 3350 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,0,0,0,0,0|1,0,2]=4 3351 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,0,0,0,0,0|1,0,2]=4 3352 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|1,0,0]=2 3353 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|1,0,0]=2 3354 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|1,0,0]=2 3355 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|1,0,0]=2 3356 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|1,0,0]=2 3357 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|1,0,0]=2 3358 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|1,0,0]=2 3359 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|1,0,0]=2 3360 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|1,0,0]=2 3361 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|1,0,0]=2 3362 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|1,0,0]=2 3363 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|1,0,0]=2 3364 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|1,0,0]=2 3365 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|1,0,0]=2 3366 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 3367 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|1,0,1]=3 3368 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 3369 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|2,0,1]=4 3370 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|1,0,1]=3 3371 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|1,0,1]=3 3372 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|1,0,1]=3 3373 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|2,0,1]=4 3374 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|2,0,1]=4 3375 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|1,0,1]=3 3376 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|1,0,1]=3 3377 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|2,0,1]=4 3378 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|2,0,1]=4 3379 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,0,0,0,0,0|2,0,1]=4 3380 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,0]=2 3381 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|1,0,1]=3 3382 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,0,0,0,0,0|2,0,1]=4 3383 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,0,0,0,0,0|2,0,1]=4 3384 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|1,0,2]=4 3385 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|1,0,2]=4 3386 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|1,0,2]=4 3387 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|2,0,0]=3 3388 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|2,0,0]=3 3389 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,0,0,0,0,0|2,0,1]=4 3390 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,0]=2 3391 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,0]=2 3392 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|2,0,1]=4 3393 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|1,0,1]=3 3394 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|1,0,1]=3 3395 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|1,0,1]=3 3396 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|2,0,1]=4 3397 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|2,0,1]=4 3398 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|2,0,1]=4 3399 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|1,0,2]=4 3400 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|1,0,2]=4 3401 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|2,0,0]=3 3402 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,0,0,0,0,0|2,0,1]=4 3403 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,0,0,0,0,0|2,0,1]=4 3404 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,0]=2 3405 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,0]=2 3406 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|1,0,1]=3 3407 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|1,0,1]=3 3408 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,0,0,0,0,0|2,0,1]=4 3409 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,0,0,0,0,0|2,0,1]=4 3410 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|1,0,2]=4 3411 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|1,0,2]=4 3412 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|2,0,0]=3 3413 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|2,0,0]=3 3414 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|2,0,0]=3 3415 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|2,0,0]=3 3416 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [1,0,0,0,0,0|2,0,1]=4 3417 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|1,0,1]=3 3418 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|1,0,1]=3 3419 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|1,0,1]=3 3420 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,0,0,0,0,0|2,0,1]=4 3421 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 3422 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 3423 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,0,0,0,0|1,0,2]=4 3424 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|2,0,0]=3 3425 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|2,0,0]=3 3426 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|2,0,0]=3 3427 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|2,0,0]=3 3428 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,0,0,0,0,0|2,0,1]=4 3429 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,0,0,0,0|2,0,1]=4 3430 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|1,0,1]=3 3431 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|1,0,1]=3 3432 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|1,0,1]=3 3433 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|1,0,1]=3 3434 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,0,0,0,0|2,0,1]=4 3435 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,0,0,0,0|2,0,1]=4 3436 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,0,0,0,0|2,0,1]=4 3437 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,0,0,0,0|2,0,1]=4 3438 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,0,0,0,0|2,0,1]=4 3439 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|1,0,2]=4 3440 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|1,0,2]=4 3441 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|2,0,0]=3 3442 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|2,0,0]=3 3443 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|2,0,0]=3 3444 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|2,0,0]=3 3445 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|2,0,0]=3 3446 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,0,0,0,0,0|3,0,0]=4 3447 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|2,0,0]=3 3448 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|2,0,0]=3 3449 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|2,0,0]=3 3450 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|2,0,0]=3 3451 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|2,0,0]=3 3452 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|2,0,0]=3 3453 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [1,0,0,0,0,0|2,0,1]=4 3454 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [1,0,0,0,0,0|2,0,1]=4 3455 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|1,0,1]=3 3456 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|1,0,1]=3 3457 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,0,0,0,0,0|2,0,1]=4 3458 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,0,0,0,0,0|2,0,1]=4 3459 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,0,0,0,0|1,0,2]=4 3460 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,0,0,0,0|1,0,2]=4 3461 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|2,0,0]=3 3462 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|2,0,0]=3 3463 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|2,0,0]=3 3464 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|2,0,0]=3 3465 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|2,0,1]=4 3466 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|2,0,1]=4 3467 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [1,0,0,0,0,0|2,0,1]=4 3468 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,0]=2 3469 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|1,0,1]=3 3470 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,0,0,0,0,0|2,0,1]=4 3471 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,0,0,0,0|1,0,2]=4 3472 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,0,0,0,0|1,0,2]=4 3473 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,0,0,0,0|1,0,2]=4 3474 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|2,0,0]=3 3475 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|2,0,0]=3 3476 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|2,0,0]=3 3477 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|2,0,1]=4 3478 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|2,0,1]=4 3479 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|2,0,1]=4 3480 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|2,0,1]=4 3481 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,0,0,0,0,0|2,0,1]=4 3482 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,0,0,0,0,0|2,0,1]=4 3483 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,0,0,0,0,0|2,0,1]=4 3484 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,0]=2 3485 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,0,0,0,0,0|2,0,1]=4 3486 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|1,0,1]=3 3487 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|1,0,1]=3 3488 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,0,0,0,0,0|2,0,1]=4 3489 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,0,0,0,0,0|2,0,1]=4 3490 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,0,0,0,0,0|2,0,1]=4 3491 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,0,0,0,0,0|2,0,1]=4 3492 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,0,0,0,0,0|2,0,1]=4 3493 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,0,0,0,0,0|2,0,1]=4 3494 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,0,0,0,0,0|2,0,1]=4 3495 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,0,0,0,0,0|2,0,1]=4 3496 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,0,0,0,0|1,0,2]=4 3497 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,0,0,0,0|1,0,2]=4 3498 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|2,0,0]=3 3499 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|2,0,0]=3 3500 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|2,0,0]=3 3501 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|2,0,0]=3 3502 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|2,0,0]=3 3503 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|2,0,0]=3 3504 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|2,0,1]=4 3505 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|2,0,1]=4 3506 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|2,0,1]=4 3507 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|2,0,1]=4 3508 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|2,0,1]=4 3509 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|2,0,1]=4 3510 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,0,0,0,0,0|2,0,1]=4 3511 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,0,0,0,0,0|2,0,1]=4 3512 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,0,0,0,0,0|2,0,1]=4 3513 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,0,0,0,0,0|2,0,1]=4 3514 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [1,0,0,0,0,0|2,0,1]=4 3515 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [1,0,0,0,0,0|2,0,1]=4 3516 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,0]=2 3517 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,0]=2 3518 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|1,0,1]=3 3519 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,0,0,0,0,0|2,0,1]=4 3520 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,0,0,0,0,0|2,0,1]=4 3521 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,0,0,0,0|1,0,2]=4 3522 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,0,0,0,0|1,0,2]=4 3523 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|2,0,0]=3 3524 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|2,0,0]=3 3525 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|2,0,1]=4 3526 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|2,0,1]=4 3527 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,0,0,0,0,0|2,0,1]=4 3528 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,0,0,0,0,0|2,0,1]=4 3529 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [1,0,0,0,0,0|2,0,1]=4 3530 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [1,0,0,0,0,0|2,0,1]=4 3531 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,0]=2 3532 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,0]=2 3533 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,0,0,0,0,0|2,0,1]=4 3534 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,0,0,0,0,0|2,0,1]=4 3535 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,0,0,0,0|1,0,2]=4 3536 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,0,0,0,0|1,0,2]=4 3537 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,0,0,0,0|1,0,2]=4 3538 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,0,0,0,0|1,0,2]=4 3539 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|2,0,0]=3 3540 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|2,0,0]=3 3541 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|2,0,0]=3 3542 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|2,0,0]=3 3543 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,0,0,0,0,0|2,0,1]=4 3544 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,0,0,0,0,0|2,0,1]=4 3545 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,0,0,0,0,0|2,0,1]=4 3546 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,0,0,0,0,0|2,0,1]=4 3547 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,0,0,0,0,0|2,0,1]=4 3548 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,0,0,0,0,0|2,0,1]=4 3549 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,0,0,0,0,0|2,0,1]=4 3550 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,0,0,0,0,0|2,0,1]=4 3551 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,0,0,0,0,0|2,0,1]=4 3552 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,0,0,0,0,0|2,0,1]=4 3553 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,0,0,0,0,0|3,0,0]=4 3554 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,0,0,0,0,0|2,0,1]=4 3555 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,0]=2 3556 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,0,0,0,0|2,0,1]=4 3557 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,0,0,0,0|2,0,1]=4 3558 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,0,0,0,0|2,0,1]=4 3559 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,0,0,0,0|2,0,1]=4 3560 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,0,0,0,0|2,0,1]=4 3561 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,0,0,0,0|2,0,1]=4 3562 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,0,0,0,0|2,0,1]=4 3563 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,0,0,0,0|2,0,1]=4 3564 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,0,0,0,0|2,0,1]=4 3565 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,0,0,0,0|1,0,2]=4 3566 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,0,0,0,0|1,0,2]=4 3567 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|2,0,0]=3 3568 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|2,0,0]=3 3569 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|2,0,0]=3 3570 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|2,0,0]=3 3571 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|2,0,0]=3 3572 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|2,0,0]=3 3573 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|2,0,0]=3 3574 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|2,0,0]=3 3575 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|2,0,0]=3 3576 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 3577 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 3578 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|2,0,1]=4 3579 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|2,0,1]=4 3580 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|2,0,1]=4 3581 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|2,0,1]=4 3582 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|2,0,1]=4 3583 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|2,0,1]=4 3584 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|2,0,1]=4 3585 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|2,0,1]=4 3586 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|2,0,0]=3 3587 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|2,0,0]=3 3588 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,0,0,0,0,0|2,0,1]=4 3589 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,0,0,0,0,0|2,0,1]=4 3590 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,0,0,0,0,0|2,0,1]=4 3591 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,0,0,0,0,0|2,0,1]=4 3592 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,0,0,0,0,0|2,0,1]=4 3593 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,0,0,0,0,0|2,0,1]=4 3594 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,0,0,0,0,0|2,0,1]=4 3595 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,0,0,0,0,0|3,0,0]=4 3596 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,0,0,0,0,0|2,0,0]=3 3597 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,0,0,0,0,0|2,0,0]=3 3598 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,0,0,0,0,0|2,0,1]=4 3599 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,0,0,0,0,0|2,0,1]=4 3600 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,0,0,0,0,0|2,0,1]=4 3601 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,0,0,0,0,0|2,0,1]=4 3602 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,0,0,0,0,0|3,0,0]=4 3603 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,0,0,0,0,0|3,0,0]=4 3604 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [1,0,0,0,0,0|3,0,0]=4 3605 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [1,0,0,0,0,0|3,0,0]=4 3606 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [1,0,0,0,0,0|3,0,0]=4 3607 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [1,0,0,0,0,0|3,0,0]=4 3608 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,0,0,0,0,0|2,0,1]=4 3609 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,0,0,0,0,0|3,0,0]=4 3610 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [1,0,0,0,0,0|3,0,0]=4 3611 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,0,0,0,0,0|2,0,1]=4 3612 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,0,0,0,0,0|2,0,1]=4 3613 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [1,0,0,0,0,0|3,0,0]=4 3614 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [1,0,0,0,0,0|3,0,0]=4 3615 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [1,0,0,0,0,0|3,0,0]=4 3616 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [1,0,0,0,0,0|3,0,0]=4 3617 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [1,0,0,0,0,0|2,0,1]=4 3618 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [1,0,0,0,0,0|2,0,1]=4 3619 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,0]=2 3620 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,0]=2 3621 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,0,0,0,0,0|2,0,1]=4 3622 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,0,0,0,0,0|2,0,1]=4 3623 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,0,0,0,0|1,0,2]=4 3624 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,0,0,0,0|1,0,2]=4 3625 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|2,0,0]=3 3626 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|2,0,0]=3 3627 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,0,0,0,0,0|2,0,1]=4 3628 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,0,0,0,0,0|2,0,1]=4 3629 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,0,0,0,0,0|2,0,0]=3 3630 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,0,0,0,0,0|2,0,1]=4 3631 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [1,0,0,0,0,0|3,0,0]=4 3632 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [1,0,0,0,0,0|3,0,0]=4 3633 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,0,0,0,0|2,0,0]=3 3634 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,0,0,0,0|2,0,0]=3 3635 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,0,0,0,0,0|2,0,1]=4 3636 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,0,0,0,0,0|2,0,1]=4 3637 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,0,0,0,0,0|2,0,1]=4 3638 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,0,0,0,0,0|2,0,1]=4 3639 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [1,0,0,0,0,0|3,0,0]=4 3640 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,0,0,0,0,0|3,0,0]=4 3641 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,0,0,0,0,0|3,0,0]=4 3642 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,0,0,0,0,0|1,0,2]=4 3643 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,0,0,0,0,0|1,0,2]=4 3644 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|2,0,0]=3 3645 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|2,0,0]=3 3646 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,0,0,0,0,0|2,0,1]=4 3647 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,0,0,0,0,0|2,0,1]=4 3648 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,0,0,0,0,0|3,0,0]=4 3649 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,0,0,0,0,0|3,0,0]=4 3650 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,0,0,0,0,0|2,0,1]=4 3651 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,0,0,0,0,0|2,0,1]=4 3652 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,0,0,0,0,0|2,0,1]=4 3653 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,0,0,0,0,0|2,0,1]=4 3654 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,0,0,0,0,0|2,0,1]=4 3655 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,0,0,0,0,0|2,0,1]=4 3656 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,0,0,0,0,0|2,0,1]=4 3657 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,0,0,0,0,0|2,0,1]=4 3658 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,0,0,0,0|1,0,2]=4 3659 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|2,0,0]=3 3660 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,0,0,0,0,0|2,0,0]=3 3661 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,0,0,0,0,0|2,0,0]=3 3662 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [1,0,0,0,0,0|3,0,0]=4 3663 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [1,0,0,0,0,0|3,0,0]=4 3664 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [1,0,0,0,0,0|3,0,0]=4 3665 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [1,0,0,0,0,0|3,0,0]=4 3666 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [1,0,0,0,0,0|3,0,0]=4 3667 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [1,0,0,0,0,0|3,0,0]=4 3668 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [1,0,0,0,0,0|3,0,0]=4 3669 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [1,0,0,0,0,0|3,0,0]=4 3670 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [1,0,0,0,0,0|3,0,0]=4 3671 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [1,0,0,0,0,0|3,0,0]=4 3672 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [1,0,0,0,0,0|3,0,0]=4 3673 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [1,0,0,0,0,0|3,0,0]=4 3674 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [1,0,0,0,0,0|3,0,0]=4 3675 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [1,0,0,0,0,0|3,0,0]=4 3676 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,0,0,0,0,0|3,0,0]=4 3677 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,0,0,0,0,0|3,0,0]=4 3678 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,0,0,0,0,0|3,0,0]=4 3679 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,0,0,0,0,0|3,0,0]=4 3680 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,0,0,0,0,0|3,0,0]=4 3681 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,0,0,0,0,0|3,0,0]=4 3682 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [1,0,0,0,0,0|3,0,0]=4 3683 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [1,0,0,0,0,0|3,0,0]=4 3684 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [1,0,0,0,0,0|3,0,0]=4 3685 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [1,0,0,0,0,0|3,0,0]=4 3686 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [1,0,0,0,0,0|3,0,0]=4 3687 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [1,0,0,0,0,0|3,0,0]=4 3688 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [1,0,0,0,0,0|3,0,0]=4 3689 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [1,0,0,0,0,0|3,0,0]=4 3690 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [1,0,0,0,0,0|2,0,1]=4 3691 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [1,0,0,0,0,0|2,0,1]=4 3692 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,0]=2 3693 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,0]=2 3694 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,0,0,0,0,0|2,0,1]=4 3695 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,0,0,0,0,0|2,0,1]=4 3696 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,0,0,0,0,0|1,0,2]=4 3697 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,0,0,0,0,0|1,0,2]=4 3698 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [1,0,0,0,0,0|3,0,0]=4 3699 B10R0.71 CCCSCCNCCSC 2230a_100020603323_100000751147 [1,0,0,0,0,0|3,0,0]=4 3700 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,0,0,0,0,0|3,0,0]=4 3701 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,0,0,0,0,0|3,0,0]=4 3702 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,0,0,0,0,0|3,0,0]=4 3703 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,0,0,0,0,0|3,0,0]=4 3704 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [1,0,0,0,0,0|3,0,0]=4 3705 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [1,0,0,0,0,0|3,0,0]=4 3706 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,0,0,0,0,0|2,0,1]=4 3707 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|1,0,2]=4 3708 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|1,0,2]=4 3709 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|1,0,2]=4 3710 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|2,0,0]=3 3711 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,0,0,0,0,0|3,0,0]=4 3712 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,0,0,0,0,0|3,0,0]=4 3713 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,0,0,0,0,0|3,0,0]=4 3714 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|2,0,1]=4 3715 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|2,0,1]=4 3716 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|2,0,1]=4 3717 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|1,0,2]=4 3718 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|2,0,0]=3 3719 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|2,0,0]=3 3720 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|2,0,0]=3 3721 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,0,0,0,0,0|3,0,0]=4 3722 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,0,0,0,0,0|3,0,0]=4 3723 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,0,0,0,0,0|3,0,0]=4 3724 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [1,0,0,0,0,0|3,0,0]=4 3725 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [1,0,0,0,0,0|3,0,0]=4 3726 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [1,0,0,0,0,0|3,0,0]=4 3727 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,0,0,0,0,0|3,0,0]=4 3728 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,0,0,0,0,0|3,0,0]=4 3729 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,0,0,0,0,0|3,0,0]=4 3730 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,0,0,0,0,0|3,0,0]=4 3731 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,0,0,0,0,0|3,0,0]=4 3732 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,0,0,0,0,0|3,0,0]=4 3733 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,0,0,0,0,0|3,0,0]=4 3734 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,0,0,0,0,0|3,0,0]=4 3735 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,0,0,0,0,0|3,0,0]=4 3736 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,0,0,0,0,0|3,0,0]=4 3737 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [1,0,0,0,0,0|3,0,0]=4 3738 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [1,0,0,0,0,0|3,0,0]=4 3739 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,0,0,0,0|2,0,0]=3 3740 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,0,0,0,0,0|3,0,0]=4 3741 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,0,0,0,0,0|3,0,0]=4 3742 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,0,0,0,0,0|3,0,0]=4 3743 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [1,0,0,0,0,0|3,0,0]=4 3744 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,0,0,0,0|2,0,0]=3 3745 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,0,0,0,0,0|3,0,0]=4 3746 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,0,0,0,0,0|3,0,0]=4 3747 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,0,0,0,0,0|3,0,0]=4 3748 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,0,0,0,0,0|3,0,0]=4 3749 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,0,0,0,0,0|3,0,0]=4 3750 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,0,0,0,0,0|3,0,0]=4 3751 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,0,0,0,0|2,0,0]=3 3752 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,0,0,0,0|2,0,0]=3 3753 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,0,0,0,0,0|3,0,0]=4 3754 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,0,0,0,0,0|3,0,0]=4 3755 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,0,0,0,0,0|2,0,0]=3 3756 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,0,0,0,0,0|2,0,0]=3 3757 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,0,0,0,0,0|3,0,0]=4 3758 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,0,0,0,0,0|3,0,0]=4 3759 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,0,0,0,0,0|2,0,1]=4 3760 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,0,0,0,0,0|2,0,1]=4 3761 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|1,0,2]=4 3762 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|1,0,2]=4 3763 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|2,0,0]=3 3764 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|2,0,0]=3 3765 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,0,0,0,0,0|3,0,0]=4 3766 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,0,0,0,0,0|3,0,0]=4 3767 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,0,0,0,0,0|3,0,0]=4 3768 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,0,0,0,0,0|3,0,0]=4 3769 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [1,0,0,0,0,0|3,0,0]=4 3770 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [1,0,0,0,0,0|3,0,0]=4 3771 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,0,0,0,0|2,0,0]=3 3772 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [1,0,0,0,0,0|3,0,0]=4 3773 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [1,0,0,0,0,0|3,0,0]=4 3774 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [1,0,0,0,0,0|3,0,0]=4 3775 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,0,0,0,0|2,0,0]=3 3776 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [1,0,0,0,0,0|3,0,0]=4 3777 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [1,0,0,0,0,0|3,0,0]=4 3778 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [1,0,0,0,0,0|3,0,0]=4 3779 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [1,0,0,0,0,0|3,0,0]=4 3780 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [1,0,0,0,0,0|3,0,0]=4 3781 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [1,0,0,0,0,0|3,0,0]=4 3782 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,0,0,0,0|2,0,0]=3 3783 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,0,0,0,0|2,0,0]=3 3784 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [1,0,0,0,0,0|3,0,0]=4 3785 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [1,0,0,0,0,0|3,0,0]=4 3786 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|2,0,0]=3 3787 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|2,0,0]=3 3788 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|2,0,0]=3 3789 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,0]=3 3790 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|2,0,0]=3 3791 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|2,0,0]=3 3792 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,0,0,0,0,0|3,0,0]=4 3793 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,0,0,0,0,0|3,0,0]=4 3794 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,0,0,0,0,0|3,0,0]=4 3795 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [1,0,0,0,0,0|3,0,0]=4 3796 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,0,0,0,0,0|3,0,0]=4 3797 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [1,0,0,0,0,0|3,0,0]=4 3798 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [1,0,0,0,0,0|3,0,0]=4 3799 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|2,0,0]=3 3800 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|2,0,0]=3 3801 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|2,0,0]=3 3802 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|2,0,0]=3 3803 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,0]=3 3804 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|2,0,0]=3 3805 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,0,0,0,0,0|3,0,0]=4 3806 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,0,0,0,0,0|3,0,0]=4 3807 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,0,0,0,0,0|3,0,0]=4 3808 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,0,0,0,0,0|3,0,0]=4 3809 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,0,0,0,0|2,0,0]=3 3810 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,0,0,0,0|2,0,0]=3 3811 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,0,0,0,0,0|3,0,0]=4 3812 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,0,0,0,0,0|3,0,0]=4 3813 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,0,0,0,0,0|3,0,0]=4 3814 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,0,0,0,0,0|3,0,0]=4 3815 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,0,0,0,0,0|3,0,0]=4 3816 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [1,0,0,0,0,0|3,0,0]=4 3817 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [1,0,0,0,0,0|3,0,0]=4 3818 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [1,0,0,0,0,0|3,0,0]=4 3819 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [1,0,0,0,0,0|3,0,0]=4 3820 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [1,0,0,0,0,0|3,0,0]=4 3821 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [1,0,0,0,0,0|3,0,0]=4 3822 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [1,0,0,0,0,0|3,0,0]=4 3823 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,0,0,0,0,0|3,0,0]=4 3824 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,0,0,0,0,0|3,0,0]=4 3825 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,0,0,0,0,0|3,0,0]=4 3826 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,0,0,0,0,0|3,0,0]=4 3827 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,0,0,0,0,0|3,0,0]=4 3828 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|3,0,0]=4 3829 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,0,0,0,0,0|3,0,0]=4 3830 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,0,0,0,0,0|3,0,0]=4 3831 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,0,0,0,0,0|3,0,0]=4 3832 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,0,0,0,0,0|3,0,0]=4 3833 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,0,0,0,0,0|3,0,0]=4 3834 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [1,0,0,0,0,0|3,0,0]=4 3835 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [1,0,0,0,0,0|3,0,0]=4 3836 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,0,0,0,0,0|3,0,0]=4 3837 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,0,0,0,0,0|3,0,0]=4 3838 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [1,0,0,0,0,0|3,0,0]=4 3839 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [1,0,0,0,0,0|3,0,0]=4 3840 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [1,0,0,0,0,0|3,0,0]=4 3841 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [1,0,0,0,0,0|3,0,0]=4 3842 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [1,0,0,0,0,0|3,0,0]=4 3843 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,0,0,0,0,0|3,0,0]=4 3844 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,0,0,0,0,0|3,0,0]=4 3845 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,0,0,0,0,0|3,0,0]=4 3846 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [1,0,0,0,0,0|3,0,0]=4 3847 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [1,0,0,0,0,0|3,0,0]=4 3848 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [1,0,0,0,0,0|3,0,0]=4 3849 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [1,0,0,0,0,0|3,0,0]=4 3850 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [1,0,0,0,0,0|3,0,0]=4 3851 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [1,0,0,0,0,0|3,0,0]=4 3852 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [1,0,0,0,0,0|3,0,0]=4 3853 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [1,0,0,0,0,0|3,0,0]=4 3854 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [1,0,0,0,0,0|3,0,0]=4 3855 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [1,0,0,0,0,0|3,0,0]=4 3856 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,0,0,0,0,0|3,0,0]=4 3857 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [1,0,0,0,0,0|3,0,0]=4 3858 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [1,0,0,0,0,0|3,0,0]=4 3859 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [1,0,0,0,0,0|3,0,0]=4 3860 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [1,0,0,0,0,0|3,0,0]=4 3861 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [1,0,0,0,0,0|3,0,0]=4 3862 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [1,0,0,0,0,0|3,0,0]=4 3863 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [1,0,0,0,0,0|3,0,0]=4 3864 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,0,0,0,0|2,0,0]=3 3865 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,0,0,0,0|2,0,0]=3 3866 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [1,0,0,0,0,0|3,0,0]=4 3867 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [1,0,0,0,0,0|3,0,0]=4 3868 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,0,0,0,0,0|3,0,0]=4 3869 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,0,0,0,0,0|3,0,0]=4 3870 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [1,0,0,0,0,0|3,0,0]=4 3871 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,0,0,0,0|2,0,0]=3 3872 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [1,0,0,0,0,0|3,0,0]=4 3873 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,0,0,0,0,0|3,0,0]=4 3874 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,0,0,0,0,0|3,0,0]=4 3875 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,0,0,0,0,0|3,0,0]=4 3876 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,0,0,0,0,0|3,0,0]=4 3877 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,0,0,0,0,0|3,0,0]=4 3878 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,0,0,0,0,0|3,0,0]=4 3879 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,0,0,0,0,0|3,0,0]=4 3880 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,0,0,0,0,0|3,0,0]=4 3881 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,0,0,0,0,0|3,0,0]=4 3882 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,0,0,0,0,0|3,0,0]=4 3883 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,0,0,0,0,0|3,0,0]=4 3884 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|3,0,0]=4 3885 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,0,0,0,0,0|3,0,0]=4 3886 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,0,0,0,0,0|3,0,0]=4 3887 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [1,0,0,0,0,0|3,0,0]=4 3888 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [1,0,0,0,0,0|3,0,0]=4 3889 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [1,0,0,0,0,0|3,0,0]=4 3890 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [1,0,0,0,0,0|3,0,0]=4 3891 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [1,0,0,0,0,0|3,0,0]=4 3892 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [1,0,0,0,0,0|3,0,0]=4 3893 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,0,0,0,0|2,0,0]=3 3894 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,0,0,0,0|2,0,0]=3 3895 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [1,0,0,0,0,0|3,0,0]=4 3896 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [1,0,0,0,0,0|3,0,0]=4 3897 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,0,0,0,0,0|3,0,0]=4 3898 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,0,0,0,0,0|3,0,0]=4 3899 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,0,0,0,0,0|3,0,0]=4 3900 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,0,0,0,0,0|2,0,0]=3 3901 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,0,0,0,0,0|2,0,0]=3 3902 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [1,0,0,0,0,0|3,0,0]=4 3903 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [1,0,0,0,0,0|3,0,0]=4 3904 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,0,0,0,0,0|3,0,0]=4 3905 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,0,0,0,0,0|3,0,0]=4 3906 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|2,0,0]=3 3907 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|2,0,0]=3 3908 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,0,0,0,0,0|3,0,0]=4 3909 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,0,0,0,0,0|3,0,0]=4 3910 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,0,0,0,0,0|3,0,0]=4 3911 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,0,0,0,0,0|3,0,0]=4 3912 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [1,0,0,0,0,0|3,0,0]=4 3913 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [1,0,0,0,0,0|3,0,0]=4 3914 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,0,0,0,0|2,0,0]=3 3915 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [1,0,0,0,0,0|3,0,0]=4 3916 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,0,0,0,0,0|3,0,0]=4 3917 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,0,0,0,0|2,0,0]=3 3918 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [1,0,0,0,0,0|3,0,0]=4 3919 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [1,0,0,0,0,0|3,0,0]=4 3920 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,0,0,0,0,0|3,0,0]=4 3921 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,0,0,0,0,0|3,0,0]=4 3922 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,0,0,0,0,0|2,0,0]=3 3923 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [1,0,0,0,0,0|3,0,0]=4 3924 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,0,0,0,0,0|3,0,0]=4 3925 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,0,0,0,0,0|3,0,0]=4 3926 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,0,0,0,0,0|3,0,0]=4 3927 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,0,0,0,0|2,0,0]=3 3928 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,0,0,0,0,0|3,0,0]=4 3929 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,0,0,0,0,0|3,0,0]=4 3930 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,0,0,0,0,0|3,0,0]=4 3931 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,0,0,0,0,0|3,0,0]=4 3932 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,0,0,0,0,0|3,0,0]=4 3933 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,0,0,0,0,0|3,0,0]=4 3934 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,0,0,0,0,0|3,0,0]=4 3935 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,0,0,0,0,0|3,0,0]=4 3936 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,0,0,0,0,0|3,0,0]=4 3937 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,0,0,0,0,0|3,0,0]=4 3938 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,0,0,0,0,0|3,0,0]=4 3939 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,0,0,0,0,0|2,0,0]=3 3940 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,0,0,0,0,0|2,0,0]=3 3941 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [1,0,0,0,0,0|3,0,0]=4 3942 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [1,0,0,0,0,0|3,0,0]=4 3943 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,0,0,0,0,0|3,0,0]=4 3944 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,0,0,0,0,0|3,0,0]=4 3945 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,0,0,0,0,0|3,0,0]=4 3946 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,0,0,0,0,0|3,0,0]=4 3947 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,0,0,0,0,0|3,0,0]=4 3948 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,0,0,0,0,0|3,0,0]=4 3949 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,0,0,0,0,0|3,0,0]=4 3950 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,0,0,0,0,0|3,0,0]=4 3951 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,0,0,0,0,0|2,0,0]=3 3952 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,0,0,0,0,0|2,0,0]=3 3953 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [1,0,0,0,0,0|3,0,0]=4 3954 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [1,0,0,0,0,0|3,0,0]=4 3955 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,0,0,0,0,0|3,0,0]=4 3956 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,0,0,0,0,0|3,0,0]=4 3957 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [1,0,0,0,0,0|2,0,1]=4 3958 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [1,0,0,0,0,0|2,0,1]=4 3959 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [1,0,0,0,0,0|2,0,1]=4 3960 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [1,0,0,0,0,0|2,0,1]=4 3961 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [1,0,0,0,0,0|2,0,1]=4 3962 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [1,0,0,0,0,0|2,0,1]=4 3963 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [1,0,0,0,0,0|2,0,1]=4 3964 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [1,0,0,0,0,0|2,0,1]=4 3965 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 3966 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,0,0,0,0|2,0,0]=3 3967 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [1,0,0,0,0,0|2,0,1]=4 3968 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [1,0,0,0,0,0|2,0,1]=4 3969 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,0,0,0,0,0|2,0,0]=3 3970 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,0,0,0,0,0|2,0,0]=3 3971 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,0,0,0,0|2,0,0]=3 3972 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,0,0,0,0|2,0,0]=3 3973 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,0,0,0,0,0|2,0,0]=3 3974 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,0,0,0,0,0|2,0,0]=3 3975 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,0,0,0,0,0|2,0,0]=3 3976 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,0,0,0,0|2,0,0]=3 3977 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,0,0,0,0|2,0,0]=3 3978 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|2,0,0]=3 3979 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 3980 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,0,0,0,0|2,0,0]=3 3981 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [1,0,0,0,0,0|2,0,1]=4 3982 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,0,0,0,0|2,0,0]=3 3983 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,0,0,0,0|2,0,0]=3 3984 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 3985 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|2,0,0]=3 3986 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|2,0,0]=3 3987 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 3988 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|2,0,0]=3 3989 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|2,0,0]=3 3990 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|2,0,0]=3 3991 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 3992 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|2,0,0]=3 3993 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|2,0,0]=3 3994 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,0,0,0,0|2,0,0]=3 3995 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,0,0,0,0|2,0,0]=3 3996 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 3997 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|2,0,0]=3 3998 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|2,0,0]=3 3999 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,0]=3 4000 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|2,0,0]=3 4001 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|2,0,0]=3 4002 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|2,0,0]=3 4003 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|2,0,0]=3 4004 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,0]=3 4005 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,0,0,0,0,0|3,0,0]=4 4006 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|2,0,0]=3 4007 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|2,0,0]=3 4008 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,1,0,0,0,0|1,0,1]=3 4009 B12R0.4 C=C(C)CC(=O)CCCCCCO 1458a_100011996774_100000748629 [0,1,0,0,0,0|2,0,1]=4 4010 B12R0.4 C=C(C)CC(=O)CCCCCOC 1458a_100011935119_100000748629 [0,1,0,0,0,0|2,0,1]=4 4011 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,1,0,0,0,0|2,0,0]=3 4012 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,1,0,0,0,0|2,0,0]=3 4013 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,1,0,0,0,0|2,0,0]=3 4014 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,1,0,0,0,0|2,0,0]=3 4015 B12R0.4 C=C(C)CN(C)CCCCCCF 2230a_100000225649_100015922095 [0,1,0,0,0,0|3,0,0]=4 4016 B12R0.4 C=C(C)CN(C)CCCCCCF 269982a_100000225649_100015922095 [0,1,0,0,0,0|3,0,0]=4 4017 B12R0.4 C=C(C)CN(C)CCCCCCO 2230a_100000225649_100000766143 [0,1,0,0,0,0|3,0,0]=4 4018 B12R0.4 C=C(C)CN(C)CCCCCCO 269982a_100000225649_100000766143 [0,1,0,0,0,0|3,0,0]=4 4019 B12R0.4 C=C(C)CN(C)CCOCCCC 2230a_100000225649_100000743108 [0,1,0,0,0,0|3,0,0]=4 4020 B12R0.4 C=C(C)CN(C)CCOCCCC 269982a_100000225649_100000743108 [0,1,0,0,0,0|3,0,0]=4 4021 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,1,0,0,0,0|1,0,2]=4 4022 B12R0.4 C=C(F)CN(C)CCCCCCC 2230a_100000228206_100009893438 [0,1,0,0,0,0|2,0,1]=4 4023 B12R0.4 C=C(F)CN(C)CCCCCCC 269982a_100000228206_100009893438 [0,1,0,0,0,0|2,0,1]=4 4024 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100000729378_100009818208 [0,1,0,0,0,0|3,0,0]=4 4025 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100009818208_100000729378 [0,1,0,0,0,0|3,0,0]=4 4026 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100000746330_100009818208 [0,1,0,0,0,0|3,0,0]=4 4027 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100009818208_100000746330 [0,1,0,0,0,0|3,0,0]=4 4028 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,1,0,0,0,0|1,0,2]=4 4029 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,1,0,0,0,0|1,0,2]=4 4030 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,1,0,0,0,0|1,0,2]=4 4031 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,1,0,0,0,0|1,0,1]=3 4032 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,1,0,0,0,0|1,0,1]=3 4033 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,1,0,0,0,0|1,0,1]=3 4034 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,1,0,0,0,0|1,0,2]=4 4035 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,1,0,0,0,0|1,0,2]=4 4036 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,1,0,0,0,0|0,0,3]=4 4037 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,1,0,0,0,0|2,0,1]=4 4038 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,1,0,0,0,0|0,0,3]=4 4039 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,1,0,0,0,0|2,0,1]=4 4040 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,1,0,0,0,0|2,0,1]=4 4041 B12R0.4 CCCCCCCC(C)NC(C)C 2230a_100138425928_200011218727 [0,1,0,0,0,0|2,0,1]=4 4042 B12R0.4 CCCCCCCC(C)NC(C)C 34a_100138425928_200011218727 [0,1,0,0,0,0|2,0,1]=4 4043 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,1,0,0,0,0|2,0,1]=4 4044 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,1,0,0,0,0|2,0,1]=4 4045 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,1,0,0,0,0|2,0,1]=4 4046 B12R0.4 CCCCCCCC(C)SC(C)C 62a_100000210206_200011218727 [0,1,0,0,0,0|2,0,1]=4 4047 B12R0.4 CCCCCCCC(C)SC(C)C 62a_200011218727_100000210206 [0,1,0,0,0,0|2,0,1]=4 4048 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,1,0,0,0,0|0,0,0]=1 4049 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,1,0,0,0,0|0,0,0]=1 4050 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,1,0,0,0,0|2,0,0]=3 4051 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,1,0,0,0,0|2,0,0]=3 4052 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,1,0,0,0,0|2,0,0]=3 4053 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,1,0,0,0,0|2,0,0]=3 4054 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,1,0,0,0,0|2,0,0]=3 4055 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000228206_100000210760 [0,1,0,0,0,0|2,0,1]=4 4056 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000747067_100000210681 [0,1,0,0,0,0|2,0,1]=4 4057 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000228206_100000210624 [0,1,0,0,0,0|2,0,1]=4 4058 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000747067_100000210681 [0,1,0,0,0,0|2,0,1]=4 4059 B12R0.4 CCCCCCCN(C)CC(C)C 270004a_100000228206_100000210432 [0,1,0,0,0,0|2,0,1]=4 4060 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,1,0,0,0,0|1,0,2]=4 4061 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,1,0,0,0,0|1,0,2]=4 4062 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,1,0,0,0,0|1,0,2]=4 4063 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,1,0,0,0,0|1,0,2]=4 4064 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,1,0,0,0,0|1,0,2]=4 4065 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,1,0,0,0,0|1,0,2]=4 4066 B12R0.4 CCCCCCCN(C)C[N+](=O)[O-] 269982a_100000228206_100000761209 [0,1,0,0,0,0|3,0,0]=4 4067 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,1,0,0,0,0|1,0,1]=3 4068 B12R0.4 CCCCCCNC(=O)CC(=O)N 240690a_100000210581_100134613110 [0,1,0,0,0,0|2,0,1]=4 4069 B12R0.4 CCCCCCNC(=O)CC(=O)N 527a_100000210581_100134613110 [0,1,0,0,0,0|2,0,1]=4 4070 B12R0.4 CCCCCCNC(C)CC(C)C 2230a_100000210581_100000731052 [0,1,0,0,0,0|2,0,1]=4 4071 B12R0.4 CCCCCCNC(C)CC(C)C 2230a_100000692259_100000210314 [0,1,0,0,0,0|2,0,1]=4 4072 B12R0.4 CCCCCCOC(C)C=C(C)C 34a_100000717055_100000210314 [0,1,0,0,0,0|2,0,1]=4 4073 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000210259_100000731052 [0,1,0,0,0,0|2,0,1]=4 4074 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000211805_100000210314 [0,1,0,0,0,0|2,0,1]=4 4075 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000210259_100000731052 [0,1,0,0,0,0|2,0,1]=4 4076 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000211805_100000210314 [0,1,0,0,0,0|2,0,1]=4 4077 B12R0.4 CCCCCCSC(C)CC(C)C 62a_100000210314_100000731052 [0,1,0,0,0,0|2,0,1]=4 4078 B12R0.4 CCCCCCSC(C)CC(C)C 62a_100000731052_100000210757 [0,1,0,0,0,0|2,0,1]=4 4079 B12R0.4 CCCCCCSC(C)CN(C)C 62a_100000210314_100020606517 [0,1,0,0,0,0|3,0,0]=4 4080 B12R0.4 CCCCCCSC(C)CN(C)C 62a_100020606517_100000210757 [0,1,0,0,0,0|3,0,0]=4 4081 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,1,0,0,0,0|2,0,0]=3 4082 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,1,0,0,0,0|2,0,0]=3 4083 B12R0.4 CCCCCNCC(C)CN(C)C 2230a_100000209983_100015348159 [0,1,0,0,0,0|3,0,0]=4 4084 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,1,0,0,0,0|2,0,0]=3 4085 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,1,0,0,0,0|2,0,1]=4 4086 B12R0.4 CCCCCOCC(C)CN(C)C 7a_100000210253_100015348159 [0,1,0,0,0,0|3,0,0]=4 4087 B12R0.4 CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000718602 [0,1,0,0,0,0|2,0,1]=4 4088 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,1,0,0,0,0|2,0,1]=4 4089 B12R0.4 CCCCCSCC(C)CN(C)C 62a_100000210326_100015348159 [0,1,0,0,0,0|3,0,0]=4 4090 B12R0.4 CCCCCSCC(C)CN(C)C 62a_100015348159_100000210326 [0,1,0,0,0,0|3,0,0]=4 4091 B12R0.4 CCCCOCCC(=O)CC(=O)N 1458a_100134613110_100000743108 [0,1,0,0,0,0|2,0,1]=4 4092 B12R0.4 CCCCOCCN(C)CC(=O)N 2230a_100000739694_100000743108 [0,1,0,0,0,0|3,0,0]=4 4093 B12R0.4 CCCCOCCN(C)CC(=O)O 269956a_100000746989_100000743108 [0,1,0,0,0,0|3,0,0]=4 4094 B12R0.4 CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000210210 [0,1,0,0,0,0|2,0,1]=4 4095 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100009818208_100011995733 [0,1,0,0,0,0|3,0,0]=4 4096 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100011995733_100009818208 [0,1,0,0,0,0|3,0,0]=4 4097 B12R0.4 CCCOCCOC(=O)CC(=O)C 34a_100000210258_100000102702 [0,1,0,0,0,0|2,0,1]=4 4098 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100009818208_100011215938 [0,1,0,0,0,0|3,0,0]=4 4099 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100011215938_100009818208 [0,1,0,0,0,0|3,0,0]=4 4100 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210303 [0,1,0,0,0,0|2,0,1]=4 4101 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000210303_100000102702 [0,1,0,0,0,0|2,0,1]=4 4102 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100009818208_100012232248 [0,1,0,0,0,0|3,0,0]=4 4103 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100012232248_100009818208 [0,1,0,0,0,0|3,0,0]=4 4104 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [0,1,0,0,0,0|3,0,0]=4 4105 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [0,1,0,0,0,0|3,0,0]=4 4106 B12R0.4 CN(CCCCCCF)CC(=O)N 2230a_100000739694_100015922095 [0,1,0,0,0,0|3,0,0]=4 4107 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [0,1,0,0,0,0|3,0,0]=4 4108 B12R0.4 CN(CCCCCCO)CC(=O)N 2230a_100000739694_100000766143 [0,1,0,0,0,0|3,0,0]=4 4109 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [0,1,0,0,0,0|3,0,0]=4 4110 B12R0.4 COCCCCCC(=O)CC(=O)N 1458a_100011935119_100000187820 [0,1,0,0,0,0|2,0,1]=4 4111 B12R0.4 COCCCCCC(=O)CC(=O)[O-] 1458a_100011935119_100020667443 [0,1,0,0,0,0|2,0,1]=4 4112 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100000730899_100009818208 [0,1,0,0,0,0|3,0,0]=4 4113 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100009818208_100000730899 [0,1,0,0,0,0|3,0,0]=4 4114 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [0,1,0,0,0,0|3,0,0]=4 4115 B12R0.4 NC(=O)CC(=O)CCCCCCF 1458a_100134613110_100015922095 [0,1,0,0,0,0|2,0,1]=4 4116 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000187820 [0,1,0,0,0,0|2,0,1]=4 4117 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100134613110_100000766143 [0,1,0,0,0,0|2,0,1]=4 4118 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [0,1,0,0,0,0|3,0,0]=4 4119 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [0,1,0,0,0,0|3,0,0]=4 4120 B12R0.4 O=C([O-])CC(=O)CCCCCCO 1458a_100011996774_100020667443 [0,1,0,0,0,0|2,0,1]=4 4121 B12R0.95 C#CCCC(=O)CCCCC(=O)C 1458a_100000692101_100000735457 [0,1,0,0,0,0|0,0,3]=4 4122 B12R0.95 C=C(C)CCNCC(C)OCCC 2230a_100015185124_100000730704 [0,1,0,0,0,0|3,0,0]=4 4123 B12R0.95 C=C(C)CCNCC(C)OCCC 34a_100015185124_100000730704 [0,1,0,0,0,0|3,0,0]=4 4124 B12R0.95 C=C(C)CCNCC(O)COCC 2230a_102515437182_100000730704 [0,1,0,0,0,0|3,0,0]=4 4125 B12R0.95 C=C(C)CCNCC(O)COCC 34a_102515437182_100000730704 [0,1,0,0,0,0|3,0,0]=4 4126 B12R0.95 C=C(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000730704 [0,1,0,0,0,0|3,0,0]=4 4127 B12R0.95 C=C(C)CCNC[C@H](C)CCCO 34a_100160569302_100000730704 [0,1,0,0,0,0|3,0,0]=4 4128 B12R0.95 C=C(C)CCOCC(C)CCCC 34a_100011995851_100000730704 [0,1,0,0,0,0|2,0,0]=3 4129 B12R0.95 C=C(C)CCOCC(C)CCCC 7a_100011995851_100000730704 [0,1,0,0,0,0|2,0,0]=3 4130 B12R0.95 C=C(C)CCOC[C@@H](N)CCCC 34a_100011934283_100000730704 [0,1,0,0,0,0|2,0,0]=3 4131 B12R0.95 C=C(C)CCOC[C@@H](N)CCSC 34a_100011827619_100000730704 [0,1,0,0,0,0|3,0,0]=4 4132 B12R0.95 C=CCCC(=O)CCCCC(=O)C 1458a_100000749702_100000735457 [0,1,0,0,0,0|0,0,3]=4 4133 B12R0.95 C=CCCC(C)OCCCC(=O)C 34a_100000765329_100000685027 [0,1,0,0,0,0|1,0,2]=4 4134 B12R0.95 C=CCCC(C)OCCCC(=O)C 7a_100000765329_100011215641 [0,1,0,0,0,0|1,0,2]=4 4135 B12R0.95 C=CCCN(C)CCCCC(=O)C 269982a_100020639649_100000735457 [0,1,0,0,0,0|1,0,2]=4 4136 B12R0.95 CC(=O)CCCCC(=O)CCC#N 1458a_100011934036_100000735457 [0,1,0,0,0,0|1,0,2]=4 4137 B12R0.95 CC(=O)CCCCN(C)CCCO 269982a_100000213112_100000735457 [0,1,0,0,0,0|2,0,0]=3 4138 B12R0.95 CC(=O)CCCOC(C)CCCCl 34a_200000718107_100000685027 [0,1,0,0,0,0|2,0,0]=3 4139 B12R0.95 CC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215641 [0,1,0,0,0,0|2,0,0]=3 4140 B12R0.95 CC(=O)NCCCC(=O)CCCF 1458a_100000194741_100011934791 [0,1,0,0,0,0|2,0,1]=4 4141 B12R0.95 CC(=O)NCCCC(=O)CCCO 1458a_100000194741_100011215043 [0,1,0,0,0,0|2,0,1]=4 4142 B12R0.95 CC(=O)NCCOC(C)CCCCl 7a_200000718107_100000189650 [0,1,0,0,0,0|3,0,0]=4 4143 B12R0.95 CC(=O)OCCCN(C)CCCO 269982a_100000213112_100000042594 [0,1,0,0,0,0|3,0,0]=4 4144 B12R0.95 CC(=O)OCCOC(C)CCCCl 34a_200000718107_100009814007 [0,1,0,0,0,0|3,0,0]=4 4145 B12R0.95 CC(=O)OCCOC(C)CCCCl 7a_200000718107_100009814007 [0,1,0,0,0,0|3,0,0]=4 4146 B12R0.95 CC(=O)OCNC[C@H](C)CCCO 34a_100160569302_100009813279 [0,1,0,0,0,0|3,0,0]=4 4147 B12R0.95 CC(=O)SCCCN(C)CCCO 2230a_100000213112_100000038929 [0,1,0,0,0,0|3,0,0]=4 4148 B12R0.95 CC(=O)SCCCN(C)CCCO 269982a_100000213112_100000038929 [0,1,0,0,0,0|3,0,0]=4 4149 B12R0.95 CC(CCCCl)OCCCC(=O)N 34a_200000718107_100102525003 [0,1,0,0,0,0|3,0,0]=4 4150 B12R0.95 CC(CCCCl)OCCCC(=O)N 7a_200000718107_100102525003 [0,1,0,0,0,0|3,0,0]=4 4151 B12R0.95 CC=CCC(=O)CCCCC(=O)C 1458a_100121576822_100000735457 [0,1,0,0,0,0|0,0,3]=4 4152 B12R0.95 CCC#CC(=O)CCCCC(=O)C 1458a_100011827653_100000735457 [0,1,0,0,0,0|0,0,3]=4 4153 B12R0.95 CCC#CC(C)OCCCC(=O)C 34a_100000033903_100000685027 [0,1,0,0,0,0|1,0,2]=4 4154 B12R0.95 CCC#CC(C)OCCCC(=O)C 7a_100000033903_100011215641 [0,1,0,0,0,0|1,0,2]=4 4155 B12R0.95 CCC=CC(=O)CCCCC(=O)C 1458a_100000212282_100000735457 [0,1,0,0,0,0|0,0,3]=4 4156 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,1,0,0,0,0|0,0,1]=2 4157 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,1,0,0,0,0|1,0,2]=4 4158 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,1,0,0,0,0|1,0,2]=4 4159 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,1,0,0,0,0|1,0,1]=3 4160 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,1,0,0,0,0|1,0,1]=3 4161 B12R0.95 CCCCC(=O)CCCOC(=S)C 1458a_100000210183_200135323944 [0,1,0,0,0,0|1,1,1]=4 4162 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,1,0,0,0,0|1,0,1]=3 4163 B12R0.95 CCCCC(=O)CCOCC(=O)N 1458a_100000210183_100000076697 [0,1,0,0,0,0|2,0,1]=4 4164 B12R0.95 CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210211 [0,1,0,0,0,0|2,0,1]=4 4165 B12R0.95 CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210183 [0,1,0,0,0,0|2,0,1]=4 4166 B12R0.95 CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210183 [0,1,0,0,0,0|2,0,1]=4 4167 B12R0.95 CCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210183 [0,1,0,0,0,0|2,0,1]=4 4168 B12R0.95 CCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210183 [0,1,0,0,0,0|2,0,1]=4 4169 B12R0.95 CCCCC(=O)NCCCS(=O)C 527a_200000753449_100000210183 [0,1,0,0,0,0|2,0,1]=4 4170 B12R0.95 CCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210183 [0,1,0,0,0,0|2,0,1]=4 4171 B12R0.95 CCCCC(=O)NCCNC(=O)C 527a_100000209853_100000210183 [0,1,0,0,0,0|2,0,1]=4 4172 B12R0.95 CCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210183 [0,1,0,0,0,0|2,0,1]=4 4173 B12R0.95 CCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210183 [0,1,0,0,0,0|2,0,1]=4 4174 B12R0.95 CCCCC(=O)NCCOC(=O)C 527a_100000724843_100000210183 [0,1,0,0,0,0|2,0,1]=4 4175 B12R0.95 CCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210183 [0,1,0,0,0,0|2,0,1]=4 4176 B12R0.95 CCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210183 [0,1,0,0,0,0|2,0,1]=4 4177 B12R0.95 CCCCC(=O)NCCSC(=O)C 527a_100020647217_100000210183 [0,1,0,0,0,0|2,0,1]=4 4178 B12R0.95 CCCCC(C)COCC=C(C)C 34a_100011995851_100000761012 [0,1,0,0,0,0|2,0,1]=4 4179 B12R0.95 CCCCC(C)COCC=C(C)C 7a_100011995851_100000761012 [0,1,0,0,0,0|2,0,1]=4 4180 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,1,0,0,0,0|1,0,0]=2 4181 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [0,1,0,0,0,0|2,0,0]=3 4182 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [0,1,0,0,0,0|2,0,0]=3 4183 B12R0.95 CCCCC(C)COCCC(C)C 34a_100011995851_100000210312 [0,1,0,0,0,0|2,0,1]=4 4184 B12R0.95 CCCCC(C)COCCC(C)C 7a_100011995851_100000210626 [0,1,0,0,0,0|2,0,1]=4 4185 B12R0.95 CCCCC(C)COCCC(C)O 34a_100011995851_100012276601 [0,1,0,0,0,0|1,0,2]=4 4186 B12R0.95 CCCCC(C)COCCC(C)O 7a_100011995851_100012276601 [0,1,0,0,0,0|1,0,2]=4 4187 B12R0.95 CCCCC(C)COCCN(C)C 7a_100011995851_100000755713 [0,1,0,0,0,0|3,0,0]=4 4188 B12R0.95 CCCCC(C)COCOC(=O)C 34a_100011995851_100009813279 [0,1,0,0,0,0|2,0,0]=3 4189 B12R0.95 CCCCC(C)NCCC=C(C)C 2230a_100000126638_100011217483 [0,1,0,0,0,0|2,0,1]=4 4190 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [0,1,0,0,0,0|2,0,0]=3 4191 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_100000126638_100011214892 [0,1,0,0,0,0|2,0,1]=4 4192 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_200000737386_200011215066 [0,1,0,0,0,0|2,0,1]=4 4193 B12R0.95 CCCCC(C)NCCCC(C)C 270004a_200000737386_100000210087 [0,1,0,0,0,0|2,0,1]=4 4194 B12R0.95 CCCCC(C)NCCCC(C)C 34a_200000737386_200011215066 [0,1,0,0,0,0|2,0,1]=4 4195 B12R0.95 CCCCC(C)NCCCC(C)O 2230a_100000126638_200000718107 [0,1,0,0,0,0|1,0,2]=4 4196 B12R0.95 CCCCC(C)NCCCN(C)C 270004a_102531767803_100000210087 [0,1,0,0,0,0|3,0,0]=4 4197 B12R0.95 CCCCC(C)NCCCS(=O)C 2230a_200000753449_200011215066 [0,1,0,0,0,0|2,0,0]=3 4198 B12R0.95 CCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210087 [0,1,0,0,0,0|2,0,0]=3 4199 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000126638_100000189650 [0,1,0,0,0,0|2,0,0]=3 4200 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000209853_200011215066 [0,1,0,0,0,0|2,0,0]=3 4201 B12R0.95 CCCCC(C)NCCNC(=O)N 2230a_100000126638_200000034859 [0,1,0,0,0,0|3,0,0]=4 4202 B12R0.95 CCCCC(C)NCCNC(=O)N 34a_100020590234_200011215066 [0,1,0,0,0,0|3,0,0]=4 4203 B12R0.95 CCCCC(C)OCCC=C(C)C 34a_100000687866_100011217483 [0,1,0,0,0,0|2,0,1]=4 4204 B12R0.95 CCCCC(C)OCCC=C(C)C 7a_100000687866_100011217483 [0,1,0,0,0,0|2,0,1]=4 4205 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,1,0,0,0,0|1,0,0]=2 4206 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,1,0,0,0,0|1,0,0]=2 4207 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,1,0,0,0,0|1,0,0]=2 4208 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,1,0,0,0,0|1,0,0]=2 4209 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,1,0,0,0,0|2,0,0]=3 4210 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,1,0,0,0,0|2,0,0]=3 4211 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000210774_200011215066 [0,1,0,0,0,0|2,0,1]=4 4212 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000687866_100011214892 [0,1,0,0,0,0|2,0,1]=4 4213 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000210774_200011215066 [0,1,0,0,0,0|2,0,1]=4 4214 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000687866_100011214892 [0,1,0,0,0,0|2,0,1]=4 4215 B12R0.95 CCCCC(C)OCCCC(C)O 34a_100000687866_200000718107 [0,1,0,0,0,0|1,0,2]=4 4216 B12R0.95 CCCCC(C)OCCCC(C)O 7a_100000687866_200000718107 [0,1,0,0,0,0|1,0,2]=4 4217 B12R0.95 CCCCC(C)OCCCN(C)C 7a_100000687866_100000757444 [0,1,0,0,0,0|3,0,0]=4 4218 B12R0.95 CCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011215066 [0,1,0,0,0,0|3,0,0]=4 4219 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,1,0,0,0,0|2,0,0]=3 4220 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,1,0,0,0,0|2,0,0]=3 4221 B12R0.95 CCCCC(C)OCCNC(=O)N 34a_100000181757_200011215066 [0,1,0,0,0,0|3,0,0]=4 4222 B12R0.95 CCCCC(C)OCCNC(=O)N 7a_100000687866_200000034859 [0,1,0,0,0,0|3,0,0]=4 4223 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,1,0,0,0,0|2,0,0]=3 4224 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,1,0,0,0,0|2,0,0]=3 4225 B12R0.95 CCCCC(C)OCCOC(=O)N 34a_100000687866_200011214921 [0,1,0,0,0,0|3,0,0]=4 4226 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000687866_200011214921 [0,1,0,0,0,0|3,0,0]=4 4227 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000766696_200011215066 [0,1,0,0,0,0|3,0,0]=4 4228 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_100011217483_200011215066 [0,1,0,0,0,0|2,0,1]=4 4229 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_200011215066_100011217483 [0,1,0,0,0,0|2,0,1]=4 4230 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,1,0,0,0,0|1,0,0]=2 4231 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,1,0,0,0,0|1,0,0]=2 4232 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [0,1,0,0,0,0|2,0,0]=3 4233 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [0,1,0,0,0,0|2,0,0]=3 4234 B12R0.95 CCCCC(C)SCCCC(C)C 62a_100011214892_200011215066 [0,1,0,0,0,0|2,0,1]=4 4235 B12R0.95 CCCCC(C)SCCCC(C)C 62a_200011215066_100011214892 [0,1,0,0,0,0|2,0,1]=4 4236 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200000718107_200011215066 [0,1,0,0,0,0|1,0,2]=4 4237 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200011215066_200000718107 [0,1,0,0,0,0|1,0,2]=4 4238 B12R0.95 CCCCC(C)SCCCN(C)C 62a_200011215066_100000757444 [0,1,0,0,0,0|3,0,0]=4 4239 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_100000189650_200011215066 [0,1,0,0,0,0|2,0,0]=3 4240 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_200011215066_100000189650 [0,1,0,0,0,0|2,0,0]=3 4241 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200000034859_200011215066 [0,1,0,0,0,0|3,0,0]=4 4242 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200011215066_200000034859 [0,1,0,0,0,0|3,0,0]=4 4243 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_100009814007_200011215066 [0,1,0,0,0,0|2,0,0]=3 4244 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_200011215066_100009814007 [0,1,0,0,0,0|2,0,0]=3 4245 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011214921_200011215066 [0,1,0,0,0,0|3,0,0]=4 4246 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011215066_200011214921 [0,1,0,0,0,0|3,0,0]=4 4247 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,1,0,0,0,0|1,0,0]=2 4248 B12R0.95 CCCCN(C)CCCCC(C)C 2230a_100000207549_100011216152 [0,1,0,0,0,0|2,0,1]=4 4249 B12R0.95 CCCCN(C)CCCCC(C)C 269982a_100000207549_100011216152 [0,1,0,0,0,0|2,0,1]=4 4250 B12R0.95 CCCCN(C)CCCCN(C)C 269982a_100000207549_100000690147 [0,1,0,0,0,0|3,0,0]=4 4251 B12R0.95 CCCCN(C)CCCOC(=O)C 269982a_100000207549_100000042594 [0,1,0,0,0,0|2,0,0]=3 4252 B12R0.95 CCCCN(C)CCCOC(=S)C 2230a_100000207549_200135323944 [0,1,0,0,0,0|2,1,0]=4 4253 B12R0.95 CCCCN(C)CCCOC(=S)C 269982a_100000207549_200135323944 [0,1,0,0,0,0|2,1,0]=4 4254 B12R0.95 CCCCN(C)CCCSC(=O)C 2230a_100000207549_100000038929 [0,1,0,0,0,0|2,0,0]=3 4255 B12R0.95 CCCCN(C)CCCSC(=O)C 269982a_100000207549_100000038929 [0,1,0,0,0,0|2,0,0]=3 4256 B12R0.95 CCCCN(C)CCOCC(=O)N 2230a_100000207549_100000076697 [0,1,0,0,0,0|3,0,0]=4 4257 B12R0.95 CCCCN(C)CCOCC(=O)N 269982a_100000207549_100000076697 [0,1,0,0,0,0|3,0,0]=4 4258 B12R0.95 CCCC[C@H](N)COCC=C(C)C 34a_100011934283_100000761012 [0,1,0,0,0,0|2,0,1]=4 4259 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [0,1,0,0,0,0|2,0,0]=3 4260 B12R0.95 CCCC[C@H](N)COCCC(C)C 34a_100011934283_100000210312 [0,1,0,0,0,0|2,0,1]=4 4261 B12R0.95 CCCC[C@H](N)COCCC(C)O 34a_100011934283_100012276601 [0,1,0,0,0,0|1,0,2]=4 4262 B12R0.95 CCCC[C@H](N)COCOC(=O)C 34a_100011934283_100009813279 [0,1,0,0,0,0|2,0,0]=3 4263 B12R0.95 CCCNC(=O)CCCNC(=O)C 11a_100020643023_100000194741 [0,1,0,0,0,0|2,0,1]=4 4264 B12R0.95 CCCNC(=O)CCCNC(=O)C 1626a_100020643023_100000194741 [0,1,0,0,0,0|2,0,1]=4 4265 B12R0.95 CCCNC(=O)CCCNC(=O)C 240690a_100020643023_100000194741 [0,1,0,0,0,0|2,0,1]=4 4266 B12R0.95 CCCNC(=O)CCCNC(=O)C 527a_100020643023_100000194741 [0,1,0,0,0,0|2,0,1]=4 4267 B12R0.95 CCCNC(=O)COCCC(=O)C 34a_100000759926_100000183358 [0,1,0,0,0,0|2,0,1]=4 4268 B12R0.95 CCCNC(=O)COCCC(=O)C 7a_100000759926_100000183358 [0,1,0,0,0,0|2,0,1]=4 4269 B12R0.95 CCCNC(=O)CSCCC(=O)C 62a_100000053229_100000183358 [0,1,0,0,0,0|2,0,1]=4 4270 B12R0.95 CCCNC(=O)CSCCC(=O)C 62a_100000183358_100000053229 [0,1,0,0,0,0|2,0,1]=4 4271 B12R0.95 CCCOC(=O)COCCC(=O)C 34a_100000759926_200011215008 [0,1,0,0,0,0|2,0,1]=4 4272 B12R0.95 CCCOC(=O)COCCC(=O)C 7a_100000759926_200011215008 [0,1,0,0,0,0|2,0,1]=4 4273 B12R0.95 CCCOC(=O)CSCCC(=O)C 62a_100000053229_200011215008 [0,1,0,0,0,0|2,0,1]=4 4274 B12R0.95 CCCOC(=O)CSCCC(=O)C 62a_200011215008_100000053229 [0,1,0,0,0,0|2,0,1]=4 4275 B12R0.95 CCCOC(C)CNCCC(=O)N 2230a_100015185124_100000744528 [0,1,0,0,0,0|3,0,0]=4 4276 B12R0.95 CCCOC(C)CNCCC(=O)N 34a_100015185124_100000731001 [0,1,0,0,0,0|3,0,0]=4 4277 B12R0.95 CCCOC(C)CNCOC(=O)C 34a_100015185124_100009813279 [0,1,0,0,0,0|3,0,0]=4 4278 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,1,0,0,0,0|1,0,1]=3 4279 B12R0.95 CCOCC(=O)CCCOC(=O)C 1458a_100000211967_100000042594 [0,1,0,0,0,0|2,0,1]=4 4280 B12R0.95 CCOCC(=O)CCCSC(=O)C 1458a_100000211967_100000038929 [0,1,0,0,0,0|2,0,1]=4 4281 B12R0.95 CCOCC(C)OCCCC(=O)C 34a_100000718985_100000685027 [0,1,0,0,0,0|2,0,0]=3 4282 B12R0.95 CCOCC(C)OCCCC(=O)C 7a_100000718985_100011215641 [0,1,0,0,0,0|2,0,0]=3 4283 B12R0.95 CCOCC(C)OCCCC(=O)N 34a_100000718985_100102525003 [0,1,0,0,0,0|3,0,0]=4 4284 B12R0.95 CCOCC(C)OCCCC(=O)N 7a_100000718985_100102525003 [0,1,0,0,0,0|3,0,0]=4 4285 B12R0.95 CCOCC(C)OCCNC(=O)C 7a_100000718985_100000189650 [0,1,0,0,0,0|3,0,0]=4 4286 B12R0.95 CCOCC(C)OCCOC(=O)C 34a_100000718985_100009814007 [0,1,0,0,0,0|3,0,0]=4 4287 B12R0.95 CCOCC(C)OCCOC(=O)C 7a_100000718985_100009814007 [0,1,0,0,0,0|3,0,0]=4 4288 B12R0.95 CCOCC(O)CNCCC(=O)N 2230a_102515437182_100000744528 [0,1,0,0,0,0|3,0,0]=4 4289 B12R0.95 CCOCC(O)CNCCC(=O)N 34a_102515437182_100000731001 [0,1,0,0,0,0|3,0,0]=4 4290 B12R0.95 CCOCC(O)CNCOC(=O)C 34a_102515437182_100009813279 [0,1,0,0,0,0|3,0,0]=4 4291 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,1,0,0,0,0|1,0,1]=3 4292 B12R0.95 CCSCC(=O)CCCOC(=O)C 1458a_100000230394_100000042594 [0,1,0,0,0,0|2,0,1]=4 4293 B12R0.95 CCSCC(=O)CCCSC(=O)C 1458a_100000230394_100000038929 [0,1,0,0,0,0|2,0,1]=4 4294 B12R0.95 CCSCC(C)NCCCS(=O)C 270004a_200000753449_200011216171 [0,1,0,0,0,0|3,0,0]=4 4295 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,1,0,0,0,0|1,0,1]=3 4296 B12R0.95 COCCC(=O)CCCNC(=O)C 1458a_100000194741_100000233755 [0,1,0,0,0,0|2,0,1]=4 4297 B12R0.95 COCCC(=O)CCCOC(=O)C 1458a_100000749529_100000042594 [0,1,0,0,0,0|2,0,1]=4 4298 B12R0.95 COCCC(=O)CCCSC(=O)C 1458a_100000749529_100000038929 [0,1,0,0,0,0|2,0,1]=4 4299 B12R0.95 COCCC(C)NCCCS(=O)C 270004a_200000753449_100000742357 [0,1,0,0,0,0|3,0,0]=4 4300 B12R0.95 COCCN(C)CCCCC(=O)C 269982a_100000743101_100000735457 [0,1,0,0,0,0|2,0,0]=3 4301 B12R0.95 COCCN(C)CCCOC(=O)C 269982a_100000743101_100000042594 [0,1,0,0,0,0|3,0,0]=4 4302 B12R0.95 COCCN(C)CCCSC(=O)C 2230a_100000743101_100000038929 [0,1,0,0,0,0|3,0,0]=4 4303 B12R0.95 COCCN(C)CCCSC(=O)C 269982a_100000743101_100000038929 [0,1,0,0,0,0|3,0,0]=4 4304 B12R0.95 COCO[C@H](C)COCCC(=O)C 7a_100016172286_100000053229 [0,1,0,0,0,0|3,0,0]=4 4305 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,1,0,0,0,0|1,0,1]=3 4306 B12R0.95 CSCCC(=O)CCCNC(=O)C 1458a_100000194741_100000751147 [0,1,0,0,0,0|2,0,1]=4 4307 B12R0.95 CSCCC(=O)CCCOC(=O)C 1458a_100000174002_100000042594 [0,1,0,0,0,0|2,0,1]=4 4308 B12R0.95 CSCCC(=O)CCCSC(=O)C 1458a_100000174002_100000038929 [0,1,0,0,0,0|2,0,1]=4 4309 B12R0.95 CSCCC(C)NCCCS(=O)C 270004a_200000753449_100011217047 [0,1,0,0,0,0|3,0,0]=4 4310 B12R0.95 CSCCN(C)CCCCC(=O)C 269982a_100000686725_100000735457 [0,1,0,0,0,0|2,0,0]=3 4311 B12R0.95 CSCCN(C)CCCOC(=O)C 269982a_100000686725_100000042594 [0,1,0,0,0,0|3,0,0]=4 4312 B12R0.95 CSCCN(C)CCCSC(=O)C 2230a_100000686725_100000038929 [0,1,0,0,0,0|3,0,0]=4 4313 B12R0.95 CSCCN(C)CCCSC(=O)C 269982a_100000686725_100000038929 [0,1,0,0,0,0|3,0,0]=4 4314 B12R0.95 CSCC[C@H](N)COCCC(=O)N 34a_100011827619_100000731001 [0,1,0,0,0,0|3,0,0]=4 4315 B12R0.95 CSCC[C@H](N)COCOC(=O)C 34a_100011827619_100009813279 [0,1,0,0,0,0|3,0,0]=4 4316 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 2230a_100160569302_100000744528 [0,1,0,0,0,0|3,0,0]=4 4317 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 34a_100160569302_100000731001 [0,1,0,0,0,0|3,0,0]=4 4318 B12R0.119 CCCCCCCCNC(C)(C)C 2230a_100000715429_100000210759 [0,1,0,0,0,0|2,0,1]=4 4319 B12R0.119 CCCCCCCCNC(C)(C)C 34a_100000229939_100000210625 [0,1,0,0,0,0|2,0,1]=4 4320 B12R0.119 CCCCCCCCNS(=O)(=O)C 40a_100000229939_100000738038 [0,1,0,0,0,0|2,0,0]=3 4321 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100000210232_100000210625 [0,1,0,0,0,0|2,0,1]=4 4322 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100015890283_100000210759 [0,1,0,0,0,0|2,0,1]=4 4323 B12R0.119 CCCCCCCCOC(C)(C)C 7a_100015890283_100000210759 [0,1,0,0,0,0|2,0,1]=4 4324 B12R0.119 CCCCCCCCSC(C)(C)C 62a_100000210759_100000211941 [0,1,0,0,0,0|2,0,1]=4 4325 B12R0.119 CCCCCCCCSC(C)(C)C 62a_100000211941_100000210317 [0,1,0,0,0,0|2,0,1]=4 4326 B12R0.119 CCCCCCCNCC(C)(C)C 2230a_100000743828_100000210681 [0,1,0,0,0,0|2,0,1]=4 4327 B12R0.119 CCCCCCCNCC(C)(C)C 270004a_100000229938_100011204126 [0,1,0,0,0,0|2,0,1]=4 4328 B12R0.119 CCCCCCCNCC(C)(C)F 2230a_100020643315_100000210681 [0,1,0,0,0,0|2,0,1]=4 4329 B12R0.119 CCCCCCCNCC(C)(C)O 2230a_100000751335_100000210681 [0,1,0,0,0,0|1,0,2]=4 4330 B12R0.119 CCCCCCCNC[Si](C)(C)C 2230a_100000229938_100000037933 [0,1,0,0,0,0|2,1,0]=4 4331 B12R0.119 CCCCCCCOCC(C)(C)C 34a_100000210272_100011219605 [0,1,0,0,0,0|2,0,1]=4 4332 B12R0.119 CCCCCCCOCC(C)(C)F 34a_100000210272_100011997219 [0,1,0,0,0,0|2,0,1]=4 4333 B12R0.119 CCCCCCCOCC(C)(C)F 34a_100000716592_100000210614 [0,1,0,0,0,0|2,0,1]=4 4334 B12R0.119 CCCCCCCOCC(C)(C)O 34a_100000210272_100000764493 [0,1,0,0,0,0|1,0,2]=4 4335 B12R0.119 CCCCCCCOCC(C)(C)O 7a_100000210272_100000764493 [0,1,0,0,0,0|1,0,2]=4 4336 B12R0.119 CCCCCCCOCC(C)(F)F 34a_100000068830_100000210614 [0,1,0,0,0,0|2,0,1]=4 4337 B12R0.119 CCCCCCCOCS(=O)(=O)[O-] 34a_100000210272_100009817235 [0,1,0,0,0,0|3,0,0]=4 4338 B12R0.119 CCCCCCCOC[Si](C)(C)C 7a_100000210272_100000233785 [0,1,0,0,0,0|2,1,0]=4 4339 B12R0.119 CCCCCCCSCC(C)(C)C 62a_100000210614_100011219605 [0,1,0,0,0,0|2,0,1]=4 4340 B12R0.119 CCCCCCCSCC(C)(C)C 62a_100011219605_100000210316 [0,1,0,0,0,0|2,0,1]=4 4341 B12R0.119 CCCCCCCSCC(C)(C)F 62a_100000210614_100011997219 [0,1,0,0,0,0|2,0,1]=4 4342 B12R0.119 CCCCCCCSCC(C)(C)F 62a_100011997219_100000210316 [0,1,0,0,0,0|2,0,1]=4 4343 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000210614_100000764493 [0,1,0,0,0,0|1,0,2]=4 4344 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000764493_100000210316 [0,1,0,0,0,0|1,0,2]=4 4345 B12R0.119 CCCCCCCSCS(=O)(=O)N 62a_100000210614_100000741382 [0,1,0,0,0,0|3,0,0]=4 4346 B12R0.119 CCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210316 [0,1,0,0,0,0|3,0,0]=4 4347 B12R0.119 CCCCCCCSCS(=O)(=O)[O-] 62a_100000210614_100009817235 [0,1,0,0,0,0|3,0,0]=4 4348 B12R0.119 CCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210316 [0,1,0,0,0,0|3,0,0]=4 4349 B12R0.119 CCCCCCCSC[N+](C)(C)C 62a_100000210614_200000036245 [0,1,0,0,0,0|3,0,0]=4 4350 B12R0.119 CCCCCCCSC[N+](C)(C)C 62a_200000036245_100000210316 [0,1,0,0,0,0|3,0,0]=4 4351 B12R0.119 CCCCCCCSC[Si](C)(C)C 62a_100000037933_100000210316 [0,1,0,0,0,0|2,1,0]=4 4352 B12R0.119 CCCCCCCSC[Si](C)(C)C 62a_100000210614_100000037933 [0,1,0,0,0,0|2,1,0]=4 4353 B12R0.119 CCCCCCNCCC(C)(C)C 2230a_100000210581_100000755188 [0,1,0,0,0,0|2,0,1]=4 4354 B12R0.119 CCCCCCNCCC(C)(C)C 2230a_100000738805_100000210314 [0,1,0,0,0,0|2,0,1]=4 4355 B12R0.119 CCCCCCNCCC(C)(C)F 2230a_100016253952_100000210314 [0,1,0,0,0,0|2,0,1]=4 4356 B12R0.119 CCCCCCNCCC(C)(C)O 2230a_100000210581_100000702414 [0,1,0,0,0,0|1,0,2]=4 4357 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000210581_100000731031 [0,1,0,0,0,0|2,0,0]=3 4358 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210314 [0,1,0,0,0,0|2,0,0]=3 4359 B12R0.119 CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210314 [0,1,0,0,0,0|2,0,0]=3 4360 B12R0.119 CCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210314 [0,1,0,0,0,0|3,0,0]=4 4361 B12R0.119 CCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210314 [0,1,0,0,0,0|3,0,0]=4 4362 B12R0.119 CCCCCCNCCS(=O)(=O)[O-] 2230a_100000210581_100000737633 [0,1,0,0,0,0|3,0,0]=4 4363 B12R0.119 CCCCCCNCC[Si](C)(C)C 2230a_100000210581_200000733723 [0,1,0,0,0,0|2,1,0]=4 4364 B12R0.119 CCCCCCOCCC(C)(C)C 34a_100000210259_100000755188 [0,1,0,0,0,0|2,0,1]=4 4365 B12R0.119 CCCCCCOCCC(C)(C)C 7a_100000210259_100000755188 [0,1,0,0,0,0|2,0,1]=4 4366 B12R0.119 CCCCCCOCCC(C)(C)C 7a_100000765024_100000210314 [0,1,0,0,0,0|2,0,1]=4 4367 B12R0.119 CCCCCCOCCC(C)(C)O 34a_100000210259_100000702414 [0,1,0,0,0,0|1,0,2]=4 4368 B12R0.119 CCCCCCOCCC(C)(C)O 7a_100000210259_100000702414 [0,1,0,0,0,0|1,0,2]=4 4369 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000210259_100000731031 [0,1,0,0,0,0|2,0,0]=3 4370 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210314 [0,1,0,0,0,0|2,0,0]=3 4371 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000210259_100000230027 [0,1,0,0,0,0|2,0,0]=3 4372 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210314 [0,1,0,0,0,0|2,0,0]=3 4373 B12R0.119 CCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210314 [0,1,0,0,0,0|3,0,0]=4 4374 B12R0.119 CCCCCCOCCS(=O)(=O)[O-] 34a_100000210259_100000762736 [0,1,0,0,0,0|3,0,0]=4 4375 B12R0.119 CCCCCCOCC[N+](C)(C)C 34a_100000210259_100000085578 [0,1,0,0,0,0|3,0,0]=4 4376 B12R0.119 CCCCCCOCC[N+](C)(C)C 7a_100000210259_100000085578 [0,1,0,0,0,0|3,0,0]=4 4377 B12R0.119 CCCCCCOCC[N+](C)(C)C 7a_200020618287_100000210314 [0,1,0,0,0,0|3,0,0]=4 4378 B12R0.119 CCCCCCOCC[Si](C)(C)C 34a_100000210259_200000733723 [0,1,0,0,0,0|2,1,0]=4 4379 B12R0.119 CCCCCCOCC[Si](C)(C)C 7a_100000039746_100000210314 [0,1,0,0,0,0|2,1,0]=4 4380 B12R0.119 CCCCCCOCC[Si](C)(C)C 7a_100000210259_200000733723 [0,1,0,0,0,0|2,1,0]=4 4381 B12R0.119 CCCCCCSCCC(C)(C)C 62a_100000210314_100000755188 [0,1,0,0,0,0|2,0,1]=4 4382 B12R0.119 CCCCCCSCCC(C)(C)C 62a_100000755188_100000210757 [0,1,0,0,0,0|2,0,1]=4 4383 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000210314_100000702414 [0,1,0,0,0,0|1,0,2]=4 4384 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000702414_100000210757 [0,1,0,0,0,0|1,0,2]=4 4385 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000210314_100000230027 [0,1,0,0,0,0|2,0,0]=3 4386 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210757 [0,1,0,0,0,0|2,0,0]=3 4387 B12R0.119 CCCCCCSCCS(=O)(=O)[O-] 62a_100000210314_100000762736 [0,1,0,0,0,0|3,0,0]=4 4388 B12R0.119 CCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210757 [0,1,0,0,0,0|3,0,0]=4 4389 B12R0.119 CCCCCCSCC[N+](C)(C)C 62a_100000085578_100000210757 [0,1,0,0,0,0|3,0,0]=4 4390 B12R0.119 CCCCCCSCC[N+](C)(C)C 62a_100000210314_100000085578 [0,1,0,0,0,0|3,0,0]=4 4391 B12R0.119 CCCCCCSCC[Si](C)(C)C 62a_100000210314_200000733723 [0,1,0,0,0,0|2,1,0]=4 4392 B12R0.119 CCCCCCSCC[Si](C)(C)C 62a_200000733723_100000210757 [0,1,0,0,0,0|2,1,0]=4 4393 B12R0.119 CCCCCNCCCC(C)(C)O 2230a_100000209983_100009888830 [0,1,0,0,0,0|1,0,2]=4 4394 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000209983_100000754308 [0,1,0,0,0,0|2,0,0]=3 4395 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210326 [0,1,0,0,0,0|2,0,0]=3 4396 B12R0.119 CCCCCNCCCS(=O)(=O)C 34a_100000742409_100000718602 [0,1,0,0,0,0|2,0,0]=3 4397 B12R0.119 CCCCCNCCCS(=O)(=O)N 2230a_100000209983_100000750626 [0,1,0,0,0,0|3,0,0]=4 4398 B12R0.119 CCCCCNCCC[N+](C)(C)C 2230a_100000209983_100016990835 [0,1,0,0,0,0|3,0,0]=4 4399 B12R0.119 CCCCCNCCC[Si](C)(C)C 2230a_100000209983_100011219597 [0,1,0,0,0,0|2,1,0]=4 4400 B12R0.119 CCCCCNCCNS(=O)(=O)C 2230a_100000209983_100000754112 [0,1,0,0,0,0|3,0,0]=4 4401 B12R0.119 CCCCCNCCNS(=O)(=O)C 34a_100000752411_100000718602 [0,1,0,0,0,0|3,0,0]=4 4402 B12R0.119 CCCCCNCCOS(=O)(=O)C 2230a_100000209983_200000036756 [0,1,0,0,0,0|3,0,0]=4 4403 B12R0.119 CCCCCOCCCC(C)(C)O 34a_100000210253_100009888830 [0,1,0,0,0,0|1,0,2]=4 4404 B12R0.119 CCCCCOCCCC(C)(C)O 7a_100000210253_100009888830 [0,1,0,0,0,0|1,0,2]=4 4405 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000210253_100000754308 [0,1,0,0,0,0|2,0,0]=3 4406 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000689940_100000718602 [0,1,0,0,0,0|2,0,0]=3 4407 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000210253_100000754308 [0,1,0,0,0,0|2,0,0]=3 4408 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210326 [0,1,0,0,0,0|2,0,0]=3 4409 B12R0.119 CCCCCOCCCS(=O)(=O)N 34a_100000210253_100000750626 [0,1,0,0,0,0|3,0,0]=4 4410 B12R0.119 CCCCCOCCCS(=O)(=O)N 7a_100000210253_100000750626 [0,1,0,0,0,0|3,0,0]=4 4411 B12R0.119 CCCCCOCCCS(=O)(=O)[O-] 34a_100000210253_100009813499 [0,1,0,0,0,0|3,0,0]=4 4412 B12R0.119 CCCCCOCCC[N+](C)(C)C 34a_100000210253_100016990835 [0,1,0,0,0,0|3,0,0]=4 4413 B12R0.119 CCCCCOCCC[N+](C)(C)C 7a_100000210253_100016990835 [0,1,0,0,0,0|3,0,0]=4 4414 B12R0.119 CCCCCOCCC[Si](C)(C)C 34a_100000210253_100011219597 [0,1,0,0,0,0|2,1,0]=4 4415 B12R0.119 CCCCCOCCC[Si](C)(C)C 7a_100000210253_100011219597 [0,1,0,0,0,0|2,1,0]=4 4416 B12R0.119 CCCCCOCCC[Si](C)(C)C 7a_200011215415_100000210326 [0,1,0,0,0,0|2,1,0]=4 4417 B12R0.119 CCCCCOCCNS(=O)(=O)C 7a_100000210253_100000754112 [0,1,0,0,0,0|3,0,0]=4 4418 B12R0.119 CCCCCOCCOS(=O)(=O)C 34a_100000210253_200000036756 [0,1,0,0,0,0|3,0,0]=4 4419 B12R0.119 CCCCCOCCOS(=O)(=O)C 7a_100000210253_200000036756 [0,1,0,0,0,0|3,0,0]=4 4420 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100000210326_100009888830 [0,1,0,0,0,0|1,0,2]=4 4421 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100009888830_100000210326 [0,1,0,0,0,0|1,0,2]=4 4422 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000210326_100000754308 [0,1,0,0,0,0|2,0,0]=3 4423 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210326 [0,1,0,0,0,0|2,0,0]=3 4424 B12R0.119 CCCCCSCCCS(=O)(=O)N 62a_100000210326_100000750626 [0,1,0,0,0,0|3,0,0]=4 4425 B12R0.119 CCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210326 [0,1,0,0,0,0|3,0,0]=4 4426 B12R0.119 CCCCCSCCCS(=O)(=O)[O-] 62a_100000210326_100009813499 [0,1,0,0,0,0|3,0,0]=4 4427 B12R0.119 CCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210326 [0,1,0,0,0,0|3,0,0]=4 4428 B12R0.119 CCCCCSCCC[N+](C)(C)C 62a_100000210326_100016990835 [0,1,0,0,0,0|3,0,0]=4 4429 B12R0.119 CCCCCSCCC[N+](C)(C)C 62a_100016990835_100000210326 [0,1,0,0,0,0|3,0,0]=4 4430 B12R0.119 CCCCCSCCC[Si](C)(C)C 62a_100000210326_100011219597 [0,1,0,0,0,0|2,1,0]=4 4431 B12R0.119 CCCCCSCCC[Si](C)(C)C 62a_100011219597_100000210326 [0,1,0,0,0,0|2,1,0]=4 4432 B12R0.119 CCCCCSCCNS(=O)(=O)C 62a_100000210326_100000754112 [0,1,0,0,0,0|3,0,0]=4 4433 B12R0.119 CCCCCSCCNS(=O)(=O)C 62a_100000754112_100000210326 [0,1,0,0,0,0|3,0,0]=4 4434 B12R0.119 CCCCCSCCOS(=O)(=O)C 62a_100000210326_200000036756 [0,1,0,0,0,0|3,0,0]=4 4435 B12R0.119 CCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210326 [0,1,0,0,0,0|3,0,0]=4 4436 B12R0.119 CCCCNCCCNS(=O)(=O)C 34a_100000736790_100000210210 [0,1,0,0,0,0|3,0,0]=4 4437 B12R0.119 CCCCOCCCC[Si](C)(C)C 7a_200009881916_100000210211 [0,1,0,0,0,0|2,1,0]=4 4438 B12R0.119 CCCCOCCCNS(=O)(=O)C 40a_200000211371_100000738038 [0,1,0,0,0,0|3,0,0]=4 4439 B12R0.119 CCCCOCNCCS(=O)(=O)C 2230a_100000740961_100011995733 [0,1,0,0,0,0|3,0,0]=4 4440 B12R0.119 CCCCOCNCCS(=O)(=O)C 34a_100000740961_100011995733 [0,1,0,0,0,0|3,0,0]=4 4441 B12R0.119 CCCCOCOCCS(=O)(=O)C 34a_100000211924_100011995733 [0,1,0,0,0,0|3,0,0]=4 4442 B12R0.119 CCCCOCSCCS(=O)(=O)C 62a_100000731031_100011995733 [0,1,0,0,0,0|3,0,0]=4 4443 B12R0.119 CCCCOCSCCS(=O)(=O)C 62a_100011995733_100000230027 [0,1,0,0,0,0|3,0,0]=4 4444 B12R0.119 CCCOCCCCCC(C)(C)O 34a_100000210258_100010402123 [0,1,0,0,0,0|1,0,2]=4 4445 B12R0.119 CCCOCCCCC[N+](C)(C)C 34a_100000210258_100009813293 [0,1,0,0,0,0|3,0,0]=4 4446 B12R0.119 CCCOCCNCCS(=O)(=O)C 2230a_100000740961_100011215938 [0,1,0,0,0,0|3,0,0]=4 4447 B12R0.119 CCCOCCNCCS(=O)(=O)C 2230a_100161115042_100000731031 [0,1,0,0,0,0|3,0,0]=4 4448 B12R0.119 CCCOCCNCCS(=O)(=O)C 34a_100000740961_100011215938 [0,1,0,0,0,0|3,0,0]=4 4449 B12R0.119 CCCOCCNCCS(=O)(=O)C 34a_100161115042_100000731031 [0,1,0,0,0,0|3,0,0]=4 4450 B12R0.119 CCCOCCOCCS(=O)(=O)C 34a_100000211924_100011215938 [0,1,0,0,0,0|3,0,0]=4 4451 B12R0.119 CCCOCCOCCS(=O)(=O)C 34a_100000752267_100000731031 [0,1,0,0,0,0|3,0,0]=4 4452 B12R0.119 CCCOCCOCCS(=O)(=O)C 7a_100000211924_100011215938 [0,1,0,0,0,0|3,0,0]=4 4453 B12R0.119 CCCOCCOCCS(=O)(=O)C 7a_100000752267_100000230027 [0,1,0,0,0,0|3,0,0]=4 4454 B12R0.119 CCCOCCSCCS(=O)(=O)C 62a_100000731031_100011215938 [0,1,0,0,0,0|3,0,0]=4 4455 B12R0.119 CCCOCCSCCS(=O)(=O)C 62a_100011215938_100000230027 [0,1,0,0,0,0|3,0,0]=4 4456 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100000210303_100010402123 [0,1,0,0,0,0|1,0,2]=4 4457 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100010402123_100000210303 [0,1,0,0,0,0|1,0,2]=4 4458 B12R0.119 CCCSCCCCC[N+](C)(C)C 62a_100000210303_100009813293 [0,1,0,0,0,0|3,0,0]=4 4459 B12R0.119 CCCSCCCCC[N+](C)(C)C 62a_100009813293_100000210303 [0,1,0,0,0,0|3,0,0]=4 4460 B12R0.119 CCCSCCNCCS(=O)(=O)C 2230a_100020603323_100000731031 [0,1,0,0,0,0|3,0,0]=4 4461 B12R0.119 CCCSCCOCCS(=O)(=O)C 34a_200000230433_100000731031 [0,1,0,0,0,0|3,0,0]=4 4462 B12R0.119 CCCSCCOCCS(=O)(=O)C 7a_200000230433_100000230027 [0,1,0,0,0,0|3,0,0]=4 4463 B12R0.119 CCNCCCCCC[N+](C)(C)C 2230a_100015525214_100009996864 [0,1,0,0,0,0|3,0,0]=4 4464 B12R0.119 CCOCCCCCC[N+](C)(C)C 34a_100121572206_100009996864 [0,1,0,0,0,0|3,0,0]=4 4465 B12R0.119 CCOCCCNCCS(=O)(=O)C 2230a_100000210961_100000731031 [0,1,0,0,0,0|3,0,0]=4 4466 B12R0.119 CCOCCCNCCS(=O)(=O)C 2230a_100000740961_100012232248 [0,1,0,0,0,0|3,0,0]=4 4467 B12R0.119 CCOCCCNCCS(=O)(=O)C 34a_100000210961_100000731031 [0,1,0,0,0,0|3,0,0]=4 4468 B12R0.119 CCOCCCNCCS(=O)(=O)C 34a_100000740961_100012232248 [0,1,0,0,0,0|3,0,0]=4 4469 B12R0.119 CCOCCCOCCS(=O)(=O)C 34a_100000211924_100012232248 [0,1,0,0,0,0|3,0,0]=4 4470 B12R0.119 CCOCCCOCCS(=O)(=O)C 34a_100000757476_100000731031 [0,1,0,0,0,0|3,0,0]=4 4471 B12R0.119 CCOCCCOCCS(=O)(=O)C 7a_100000211924_100012232248 [0,1,0,0,0,0|3,0,0]=4 4472 B12R0.119 CCOCCCOCCS(=O)(=O)C 7a_100000757476_100000230027 [0,1,0,0,0,0|3,0,0]=4 4473 B12R0.119 CCOCCCSCCS(=O)(=O)C 62a_100000731031_100012232248 [0,1,0,0,0,0|3,0,0]=4 4474 B12R0.119 CCOCCCSCCS(=O)(=O)C 62a_100012232248_100000230027 [0,1,0,0,0,0|3,0,0]=4 4475 B12R0.119 CCOCCNCCCS(=O)(=O)C 2230a_100000742409_100011215890 [0,1,0,0,0,0|3,0,0]=4 4476 B12R0.119 CCOCCNCCCS(=O)(=O)C 2230a_102516460346_100000754308 [0,1,0,0,0,0|3,0,0]=4 4477 B12R0.119 CCOCCNCCCS(=O)(=O)C 34a_100000742409_100000210147 [0,1,0,0,0,0|3,0,0]=4 4478 B12R0.119 CCOCCNCCCS(=O)(=O)C 34a_102516460346_100000754308 [0,1,0,0,0,0|3,0,0]=4 4479 B12R0.119 CCOCCOCCCS(=O)(=O)C 34a_100000210136_100000754308 [0,1,0,0,0,0|3,0,0]=4 4480 B12R0.119 CCOCCOCCCS(=O)(=O)C 34a_100000689940_100000210147 [0,1,0,0,0,0|3,0,0]=4 4481 B12R0.119 CCOCCOCCCS(=O)(=O)C 7a_100000210136_100000754308 [0,1,0,0,0,0|3,0,0]=4 4482 B12R0.119 CCOCCOCCCS(=O)(=O)C 7a_100000689940_100011215890 [0,1,0,0,0,0|3,0,0]=4 4483 B12R0.119 CCOCCSCCCS(=O)(=O)C 62a_100000210147_100000754308 [0,1,0,0,0,0|3,0,0]=4 4484 B12R0.119 CCOCCSCCCS(=O)(=O)C 62a_100000754308_100011215890 [0,1,0,0,0,0|3,0,0]=4 4485 B12R0.119 CCSCCCCCC[N+](C)(C)C 62a_100000210202_100009996864 [0,1,0,0,0,0|3,0,0]=4 4486 B12R0.119 CCSCCCCCC[N+](C)(C)C 62a_100009996864_100000210202 [0,1,0,0,0,0|3,0,0]=4 4487 B12R0.119 CCSCCCOCCS(=O)(=O)C 34a_100011216438_100000731031 [0,1,0,0,0,0|3,0,0]=4 4488 B12R0.119 CCSCCCOCCS(=O)(=O)C 7a_100011216438_100000230027 [0,1,0,0,0,0|3,0,0]=4 4489 B12R0.119 CCSCCNCCCS(=O)(=O)C 2230a_100000106463_100000754308 [0,1,0,0,0,0|3,0,0]=4 4490 B12R0.119 CCSCCNCCCS(=O)(=O)C 2230a_100000742409_100000757381 [0,1,0,0,0,0|3,0,0]=4 4491 B12R0.119 CCSCCNCCCS(=O)(=O)C 34a_100000742409_100000757381 [0,1,0,0,0,0|3,0,0]=4 4492 B12R0.119 CCSCCOCCCS(=O)(=O)C 34a_100000212035_100000754308 [0,1,0,0,0,0|3,0,0]=4 4493 B12R0.119 CCSCCOCCCS(=O)(=O)C 34a_100000689940_100000757381 [0,1,0,0,0,0|3,0,0]=4 4494 B12R0.119 CCSCCOCCCS(=O)(=O)C 7a_100000212035_100000754308 [0,1,0,0,0,0|3,0,0]=4 4495 B12R0.119 CCSCCOCCCS(=O)(=O)C 7a_100000689940_100000757381 [0,1,0,0,0,0|3,0,0]=4 4496 B12R0.119 CCSCCSCCCS(=O)(=O)C 62a_100000754308_100000757381 [0,1,0,0,0,0|3,0,0]=4 4497 B12R0.119 CCSCCSCCCS(=O)(=O)C 62a_100000757381_100000754308 [0,1,0,0,0,0|3,0,0]=4 4498 B12R0.119 CNCCCOCCCS(=O)(=O)C 34a_100000213112_100000754308 [0,1,0,0,0,0|3,0,0]=4 4499 B12R0.119 COCCCCNCCS(=O)(=O)C 2230a_100000740961_100000730899 [0,1,0,0,0,0|3,0,0]=4 4500 B12R0.119 COCCCCNCCS(=O)(=O)C 34a_100000740961_100000755781 [0,1,0,0,0,0|3,0,0]=4 4501 B12R0.119 COCCCCOCCS(=O)(=O)C 34a_100000211924_100000755781 [0,1,0,0,0,0|3,0,0]=4 4502 B12R0.119 COCCCCOCCS(=O)(=O)C 34a_100000740925_100000731031 [0,1,0,0,0,0|3,0,0]=4 4503 B12R0.119 COCCCCOCCS(=O)(=O)C 7a_100000211924_100000730899 [0,1,0,0,0,0|3,0,0]=4 4504 B12R0.119 COCCCCSCCS(=O)(=O)C 62a_100000730899_100000230027 [0,1,0,0,0,0|3,0,0]=4 4505 B12R0.119 COCCCCSCCS(=O)(=O)C 62a_100000731031_100000730899 [0,1,0,0,0,0|3,0,0]=4 4506 B12R0.119 COCCCNCCCS(=O)(=O)C 2230a_100000742409_100000740836 [0,1,0,0,0,0|3,0,0]=4 4507 B12R0.119 COCCCNCCCS(=O)(=O)C 34a_100000742409_100000740836 [0,1,0,0,0,0|3,0,0]=4 4508 B12R0.119 COCCCNCCCS(=O)(=O)C 34a_100150723488_100000754308 [0,1,0,0,0,0|3,0,0]=4 4509 B12R0.119 COCCCOCCCS(=O)(=O)C 34a_100000689940_100000740836 [0,1,0,0,0,0|3,0,0]=4 4510 B12R0.119 COCCCOCCCS(=O)(=O)C 34a_100000740835_100000754308 [0,1,0,0,0,0|3,0,0]=4 4511 B12R0.119 COCCCOCCCS(=O)(=O)C 7a_100000689940_100000740836 [0,1,0,0,0,0|3,0,0]=4 4512 B12R0.119 COCCCSCCCS(=O)(=O)C 62a_100000709357_100000754308 [0,1,0,0,0,0|3,0,0]=4 4513 B12R0.119 COCCCSCCCS(=O)(=O)C 62a_100000754308_100000709357 [0,1,0,0,0,0|3,0,0]=4 4514 B12R0.119 CS(=O)(=O)CCCNCCCCF 2230a_100000742409_100000729493 [0,1,0,0,0,0|3,0,0]=4 4515 B12R0.119 CS(=O)(=O)CCCNCCCCF 34a_100000742409_100000729493 [0,1,0,0,0,0|3,0,0]=4 4516 B12R0.119 CS(=O)(=O)CCCNCCCCO 2230a_100000742409_100000210776 [0,1,0,0,0,0|3,0,0]=4 4517 B12R0.119 CS(=O)(=O)CCCNCCCCO 2230a_100000750430_100000754308 [0,1,0,0,0,0|3,0,0]=4 4518 B12R0.119 CS(=O)(=O)CCCNCCCCO 34a_100000742409_100011216708 [0,1,0,0,0,0|3,0,0]=4 4519 B12R0.119 CS(=O)(=O)CCCNCCCCO 34a_100000750430_100000754308 [0,1,0,0,0,0|3,0,0]=4 4520 B12R0.119 CS(=O)(=O)CCCOCCCCBr 34a_100011216708_100000754308 [0,1,0,0,0,0|3,0,0]=4 4521 B12R0.119 CS(=O)(=O)CCCOCCCCCl 34a_100000210776_100000754308 [0,1,0,0,0,0|3,0,0]=4 4522 B12R0.119 CS(=O)(=O)CCCOCCCCCl 7a_100000210776_100000754308 [0,1,0,0,0,0|3,0,0]=4 4523 B12R0.119 CS(=O)(=O)CCCOCCCCF 34a_100000689940_100000729493 [0,1,0,0,0,0|3,0,0]=4 4524 B12R0.119 CS(=O)(=O)CCCOCCCCF 34a_100011995726_100000754308 [0,1,0,0,0,0|3,0,0]=4 4525 B12R0.119 CS(=O)(=O)CCCOCCCCF 7a_100000689940_100000729493 [0,1,0,0,0,0|3,0,0]=4 4526 B12R0.119 CS(=O)(=O)CCCOCCCCF 7a_100011995726_100000754308 [0,1,0,0,0,0|3,0,0]=4 4527 B12R0.119 CS(=O)(=O)CCCOCCCCI 34a_200012148704_100000754308 [0,1,0,0,0,0|3,0,0]=4 4528 B12R0.119 CS(=O)(=O)CCCOCCCCN 34a_100000750430_100000754308 [0,1,0,0,0,0|3,0,0]=4 4529 B12R0.119 CS(=O)(=O)CCCOCCCCO 34a_100000689940_100011216708 [0,1,0,0,0,0|3,0,0]=4 4530 B12R0.119 CS(=O)(=O)CCCOCCCCO 7a_100000689940_100000210776 [0,1,0,0,0,0|3,0,0]=4 4531 B12R0.119 CS(=O)(=O)CCCSCCCCF 62a_100000729493_100000754308 [0,1,0,0,0,0|3,0,0]=4 4532 B12R0.119 CS(=O)(=O)CCCSCCCCF 62a_100000754308_100000729493 [0,1,0,0,0,0|3,0,0]=4 4533 B12R0.119 CS(=O)(=O)CCCSCCCCO 62a_100000210776_100000754308 [0,1,0,0,0,0|3,0,0]=4 4534 B12R0.119 CS(=O)(=O)CCCSCCCCO 62a_100000754308_100000210776 [0,1,0,0,0,0|3,0,0]=4 4535 B12R0.119 CS(=O)(=O)CCNCCCCCF 2230a_100000740961_100000729378 [0,1,0,0,0,0|3,0,0]=4 4536 B12R0.119 CS(=O)(=O)CCNCCCCCF 34a_100000740961_100000729378 [0,1,0,0,0,0|3,0,0]=4 4537 B12R0.119 CS(=O)(=O)CCNCCCCCO 2230a_100000740961_100000746330 [0,1,0,0,0,0|3,0,0]=4 4538 B12R0.119 CS(=O)(=O)CCNCCCCCO 2230a_100000762737_100000731031 [0,1,0,0,0,0|3,0,0]=4 4539 B12R0.119 CS(=O)(=O)CCNCCCCCO 34a_100000740961_100000746330 [0,1,0,0,0,0|3,0,0]=4 4540 B12R0.119 CS(=O)(=O)CCNCCCCCO 34a_100000762737_100000731031 [0,1,0,0,0,0|3,0,0]=4 4541 B12R0.119 CS(=O)(=O)CCOCCCCCBr 34a_100000746331_100000731031 [0,1,0,0,0,0|3,0,0]=4 4542 B12R0.119 CS(=O)(=O)CCOCCCCCBr 7a_100000746331_100000230027 [0,1,0,0,0,0|3,0,0]=4 4543 B12R0.119 CS(=O)(=O)CCOCCCCCCl 34a_100000746330_100000731031 [0,1,0,0,0,0|3,0,0]=4 4544 B12R0.119 CS(=O)(=O)CCOCCCCCCl 7a_100000746330_100000230027 [0,1,0,0,0,0|3,0,0]=4 4545 B12R0.119 CS(=O)(=O)CCOCCCCCF 34a_100000211924_100000729378 [0,1,0,0,0,0|3,0,0]=4 4546 B12R0.119 CS(=O)(=O)CCOCCCCCF 7a_100000211924_100000729378 [0,1,0,0,0,0|3,0,0]=4 4547 B12R0.119 CS(=O)(=O)CCOCCCCCI 34a_200012148887_100000731031 [0,1,0,0,0,0|3,0,0]=4 4548 B12R0.119 CS(=O)(=O)CCOCCCCCI 7a_200012148887_100000230027 [0,1,0,0,0,0|3,0,0]=4 4549 B12R0.119 CS(=O)(=O)CCOCCCCCN 34a_100000762737_100000731031 [0,1,0,0,0,0|3,0,0]=4 4550 B12R0.119 CS(=O)(=O)CCOCCCCCO 34a_100000211924_100000746330 [0,1,0,0,0,0|3,0,0]=4 4551 B12R0.119 CS(=O)(=O)CCOCCCCCO 7a_100000211924_100000746330 [0,1,0,0,0,0|3,0,0]=4 4552 B12R0.119 CS(=O)(=O)CCSCCCCCF 62a_100000729378_100000230027 [0,1,0,0,0,0|3,0,0]=4 4553 B12R0.119 CS(=O)(=O)CCSCCCCCF 62a_100000731031_100000729378 [0,1,0,0,0,0|3,0,0]=4 4554 B12R0.119 CS(=O)(=O)CCSCCCCCO 62a_100000731031_100000746330 [0,1,0,0,0,0|3,0,0]=4 4555 B12R0.119 CS(=O)(=O)CCSCCCCCO 62a_100000746330_100000230027 [0,1,0,0,0,0|3,0,0]=4 4556 B12R0.119 CS(=O)(=O)NCCCCCCCO 40a_100011996573_100000738038 [0,1,0,0,0,0|3,0,0]=4 4557 B12R0.119 CSCCCCOCCS(=O)(=O)C 34a_100011217163_100000731031 [0,1,0,0,0,0|3,0,0]=4 4558 B12R0.119 CSCCCCOCCS(=O)(=O)C 7a_100011217163_100000230027 [0,1,0,0,0,0|3,0,0]=4 4559 B12R0.119 CSCCCNCCCS(=O)(=O)C 2230a_100000749238_100000754308 [0,1,0,0,0,0|3,0,0]=4 4560 B12R0.119 CSCCCOCCCS(=O)(=O)C 34a_100000690336_100000754308 [0,1,0,0,0,0|3,0,0]=4 4561 B12R0.119 CSCCCOCCCS(=O)(=O)C 7a_100000690336_100000754308 [0,1,0,0,0,0|3,0,0]=4 4562 B12R0.184 C=C(C)CCOCCCC(C)CC 7a_100011216074_100000730704 [0,1,0,0,0,0|2,0,0]=3 4563 B12R0.184 C=C(C)CCOCCC[C@@H](C)CN 34a_100160569302_100000730704 [0,1,0,0,0,0|3,0,0]=4 4564 B12R0.184 C=C(C)CCSCCCN(C)CC 62a_100000730704_100015186262 [0,1,0,0,0,0|3,0,0]=4 4565 B12R0.184 C=CC(C)COCCCCC(=O)C 34a_100011215527_100009817362 [0,1,0,0,0,0|1,0,2]=4 4566 B12R0.184 C=CC(C)COCCCCC(=O)C 7a_100011215527_100000735457 [0,1,0,0,0,0|1,0,2]=4 4567 B12R0.184 C=CC(O)CSCCCCC(=O)C 62a_100000730141_100000735457 [0,1,0,0,0,0|1,0,2]=4 4568 B12R0.184 C=CC(O)CSCCCCC(=O)C 62a_100000735457_100000730141 [0,1,0,0,0,0|1,0,2]=4 4569 B12R0.184 C=C[C@H](N)COCCCCC(=O)C 34a_100016989147_100009817362 [0,1,0,0,0,0|1,0,2]=4 4570 B12R0.184 CC(=O)CCCCNCC(C)CO 34a_100000744482_100009817362 [0,1,0,0,0,0|2,0,0]=3 4571 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100009817362 [0,1,0,0,0,0|2,0,0]=3 4572 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [0,1,0,0,0,0|2,0,0]=3 4573 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100009817362 [0,1,0,0,0,0|2,0,0]=3 4574 B12R0.184 CC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100009817362 [0,1,0,0,0,0|2,0,0]=3 4575 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100000735457_100011219619 [0,1,0,0,0,0|2,0,0]=3 4576 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100011219619_100000735457 [0,1,0,0,0,0|2,0,0]=3 4577 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000735457 [0,1,0,0,0,0|2,0,0]=3 4578 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000735457_100000059175 [0,1,0,0,0,0|2,0,0]=3 4579 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100000735457_100015614560 [0,1,0,0,0,0|2,0,0]=3 4580 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000735457 [0,1,0,0,0,0|2,0,0]=3 4581 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100000735457_100009815848 [0,1,0,0,0,0|2,0,0]=3 4582 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000735457 [0,1,0,0,0,0|2,0,0]=3 4583 B12R0.184 CC(=O)CCCNCCC(C)CO 34a_106354213184_100000685027 [0,1,0,0,0,0|2,0,0]=3 4584 B12R0.184 CC(=O)NCCCCCC(=O)CF 1458a_100000183861_100015361967 [0,1,0,0,0,0|2,0,1]=4 4585 B12R0.184 CC(=O)NCCCCNC(C)CO 2230a_200011368371_100012180447 [0,1,0,0,0,0|3,0,0]=4 4586 B12R0.184 CC(=O)NCCCCNC(C)CO 34a_200011368371_100012180447 [0,1,0,0,0,0|3,0,0]=4 4587 B12R0.184 CC(=O)NCCCNCC(O)CO 34a_100000736810_100011219619 [0,1,0,0,0,0|3,0,0]=4 4588 B12R0.184 CC(=O)NCCCNC[C@@H](C)CO 34a_100000736810_100000059175 [0,1,0,0,0,0|3,0,0]=4 4589 B12R0.184 CC(=O)NCCCNC[C@@H](O)CF 34a_100000736810_100015614560 [0,1,0,0,0,0|3,0,0]=4 4590 B12R0.184 CC(=O)NCCCNC[C@@H](O)CO 34a_100000736810_100009815848 [0,1,0,0,0,0|3,0,0]=4 4591 B12R0.184 CC(=O)NCCCOCC(O)CO 34a_100000752032_100011219619 [0,1,0,0,0,0|3,0,0]=4 4592 B12R0.184 CC(=O)NCCCOC[C@@H](C)CO 34a_100000752032_100000059175 [0,1,0,0,0,0|3,0,0]=4 4593 B12R0.184 CC(=O)NCCCOC[C@@H](O)CF 34a_100000752032_100015614560 [0,1,0,0,0,0|3,0,0]=4 4594 B12R0.184 CC(=O)NCCCOC[C@@H](O)CO 34a_100000752032_100009815848 [0,1,0,0,0,0|3,0,0]=4 4595 B12R0.184 CC(=O)NCCNCCC(C)CO 2230a_106354213184_100000189650 [0,1,0,0,0,0|3,0,0]=4 4596 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,1,0,0,0,0|2,0,1]=4 4597 B12R0.184 CC(=O)OCCCCOC(C)CF 34a_100016041109_100000033659 [0,1,0,0,0,0|3,0,0]=4 4598 B12R0.184 CC(=O)OCCCCOC(C)CF 7a_100016041109_100000033659 [0,1,0,0,0,0|3,0,0]=4 4599 B12R0.184 CC(=O)OCCCCOC(C)CN 34a_100000210904_100000033659 [0,1,0,0,0,0|3,0,0]=4 4600 B12R0.184 CC(=O)OCCCCOC(C)CO 34a_100000073216_100012180447 [0,1,0,0,0,0|3,0,0]=4 4601 B12R0.184 CC(=O)OCCCCOC(C)CO 7a_100000073216_100012180447 [0,1,0,0,0,0|3,0,0]=4 4602 B12R0.184 CC(=O)OCCCCSC(C)CO 62a_100012180447_100000033659 [0,1,0,0,0,0|3,0,0]=4 4603 B12R0.184 CC(=O)OCCCCS[C@H](C)CO 62a_100000033659_100016084084 [0,1,0,0,0,0|3,0,0]=4 4604 B12R0.184 CC(=O)OCCCCS[C@H](C)CO 62a_100016084084_100000033659 [0,1,0,0,0,0|3,0,0]=4 4605 B12R0.184 CC(=O)OCCCNCC(C)CO 34a_100000744482_100000042594 [0,1,0,0,0,0|3,0,0]=4 4606 B12R0.184 CC(=O)OCCCNC[C@@H](F)CO 34a_100015665980_100000042594 [0,1,0,0,0,0|3,0,0]=4 4607 B12R0.184 CC(=O)OCCCOCC(C)CN 34a_100000744482_100000042594 [0,1,0,0,0,0|3,0,0]=4 4608 B12R0.184 CC(=O)OCCCOCC(Cl)CCl 34a_100000033668_100000042594 [0,1,0,0,0,0|3,0,0]=4 4609 B12R0.184 CC(=O)OCCCOC[C@H](F)CN 34a_100015665980_100000042594 [0,1,0,0,0,0|3,0,0]=4 4610 B12R0.184 CC(=O)OCCCSCC(O)CO 62a_100000042594_100011219619 [0,1,0,0,0,0|3,0,0]=4 4611 B12R0.184 CC(=O)OCCCSCC(O)CO 62a_100011219619_100000042594 [0,1,0,0,0,0|3,0,0]=4 4612 B12R0.184 CC(=O)OCCCSC[C@@H](C)CO 62a_100000042594_100000059175 [0,1,0,0,0,0|3,0,0]=4 4613 B12R0.184 CC(=O)OCCCSC[C@@H](C)CO 62a_100000059175_100000042594 [0,1,0,0,0,0|3,0,0]=4 4614 B12R0.184 CC(=O)OCCCSC[C@@H](O)CF 62a_100000042594_100015614560 [0,1,0,0,0,0|3,0,0]=4 4615 B12R0.184 CC(=O)OCCCSC[C@@H](O)CF 62a_100015614560_100000042594 [0,1,0,0,0,0|3,0,0]=4 4616 B12R0.184 CC(=O)OCCCSC[C@@H](O)CO 62a_100000042594_100009815848 [0,1,0,0,0,0|3,0,0]=4 4617 B12R0.184 CC(=O)OCCCSC[C@@H](O)CO 62a_100009815848_100000042594 [0,1,0,0,0,0|3,0,0]=4 4618 B12R0.184 CC(=O)OCCNCCC(C)CO 34a_106354213184_100009814007 [0,1,0,0,0,0|3,0,0]=4 4619 B12R0.184 CC(=O)OCOCCC[C@@H](C)CN 34a_100160569302_100009813279 [0,1,0,0,0,0|3,0,0]=4 4620 B12R0.184 CC(=O)SCCCCN[C@H](C)CO 2230a_100000737577_200010402107 [0,1,0,0,0,0|3,0,0]=4 4621 B12R0.184 CC(=O)SCCCCOC(C)CF 34a_100016041109_200010402107 [0,1,0,0,0,0|3,0,0]=4 4622 B12R0.184 CC(=O)SCCCCOC(C)CF 7a_100016041109_200010402107 [0,1,0,0,0,0|3,0,0]=4 4623 B12R0.184 CC(=O)SCCCCOC(C)CN 34a_100000210904_200010402107 [0,1,0,0,0,0|3,0,0]=4 4624 B12R0.184 CC(=O)SCCCCSC(C)CO 62a_100012180447_200010402107 [0,1,0,0,0,0|3,0,0]=4 4625 B12R0.184 CC(=O)SCCCCS[C@H](C)CO 62a_100016084084_200010402107 [0,1,0,0,0,0|3,0,0]=4 4626 B12R0.184 CC(=O)SCCCCS[C@H](C)CO 62a_200010402107_100016084084 [0,1,0,0,0,0|3,0,0]=4 4627 B12R0.184 CC(=O)SCCCNCC(C)CO 34a_100000744482_100000038929 [0,1,0,0,0,0|3,0,0]=4 4628 B12R0.184 CC(=O)SCCCNC[C@@H](F)CO 34a_100015665980_100000038929 [0,1,0,0,0,0|3,0,0]=4 4629 B12R0.184 CC(=O)SCCCNC[C@H](O)CO 2230a_100020644852_100000038929 [0,1,0,0,0,0|3,0,0]=4 4630 B12R0.184 CC(=O)SCCCOCC(C)CN 34a_100000744482_100000038929 [0,1,0,0,0,0|3,0,0]=4 4631 B12R0.184 CC(=O)SCCCOCC(Cl)CCl 34a_100000033668_100000038929 [0,1,0,0,0,0|3,0,0]=4 4632 B12R0.184 CC(=O)SCCCOC[C@H](F)CN 34a_100015665980_100000038929 [0,1,0,0,0,0|3,0,0]=4 4633 B12R0.184 CC(=O)SCCCSCC(O)CO 62a_100000038929_100011219619 [0,1,0,0,0,0|3,0,0]=4 4634 B12R0.184 CC(=O)SCCCSCC(O)CO 62a_100011219619_100000038929 [0,1,0,0,0,0|3,0,0]=4 4635 B12R0.184 CC(=O)SCCCSC[C@@H](C)CO 62a_100000038929_100000059175 [0,1,0,0,0,0|3,0,0]=4 4636 B12R0.184 CC(=O)SCCCSC[C@@H](C)CO 62a_100000059175_100000038929 [0,1,0,0,0,0|3,0,0]=4 4637 B12R0.184 CC(=O)SCCCSC[C@@H](O)CF 62a_100000038929_100015614560 [0,1,0,0,0,0|3,0,0]=4 4638 B12R0.184 CC(=O)SCCCSC[C@@H](O)CF 62a_100015614560_100000038929 [0,1,0,0,0,0|3,0,0]=4 4639 B12R0.184 CC(=O)SCCCSC[C@@H](O)CO 62a_100000038929_100009815848 [0,1,0,0,0,0|3,0,0]=4 4640 B12R0.184 CC(=O)SCCCSC[C@@H](O)CO 62a_100009815848_100000038929 [0,1,0,0,0,0|3,0,0]=4 4641 B12R0.184 CC(CF)OCCCCCC(=O)N 34a_100016041109_100009817443 [0,1,0,0,0,0|3,0,0]=4 4642 B12R0.184 CC(CF)OCCCCCC(=O)N 7a_100016041109_100009817443 [0,1,0,0,0,0|3,0,0]=4 4643 B12R0.184 CC(CN)OCCCCCC(=O)N 34a_100000210904_100009817443 [0,1,0,0,0,0|3,0,0]=4 4644 B12R0.184 CC(CO)CCNCCCC(=O)N 34a_106354213184_100102525003 [0,1,0,0,0,0|3,0,0]=4 4645 B12R0.184 CC(CO)OCCCCCC(=O)N 34a_100000123541_100012180447 [0,1,0,0,0,0|3,0,0]=4 4646 B12R0.184 CC(CO)OCCCCCC(=O)N 7a_100000123541_100012180447 [0,1,0,0,0,0|3,0,0]=4 4647 B12R0.184 CC(CO)OCCCCCC(=O)[O-] 7a_100102619762_100012180447 [0,1,0,0,0,0|3,0,0]=4 4648 B12R0.184 CC(CO)SCCCCCC(=O)N 62a_100012180447_100009817443 [0,1,0,0,0,0|3,0,0]=4 4649 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,1,0,0,0,0|1,0,2]=4 4650 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,1,0,0,0,0|1,0,1]=3 4651 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,1,0,0,0,0|1,0,1]=3 4652 B12R0.184 CCC(=O)CCOCCOC(=O)C 1458a_100000210414_200000083610 [0,1,0,0,0,0|2,0,1]=4 4653 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,1,0,0,0,0|1,0,1]=3 4654 B12R0.184 CCC(=O)COCCCCC(=O)N 7a_100012022536_100000747405 [0,1,0,0,0,0|2,0,1]=4 4655 B12R0.184 CCC(=O)COCCCOC(=O)C 34a_100000725409_100000042594 [0,1,0,0,0,0|2,0,1]=4 4656 B12R0.184 CCC(=O)COCCCSC(=O)C 34a_100000725409_100000038929 [0,1,0,0,0,0|2,0,1]=4 4657 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,1,0,0,0,0|1,0,1]=3 4658 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,1,0,0,0,0|1,0,1]=3 4659 B12R0.184 CCC(=O)CSCCCOC(=O)C 62a_100000042594_100000747405 [0,1,0,0,0,0|2,0,1]=4 4660 B12R0.184 CCC(=O)CSCCCOC(=O)C 62a_100000747405_100000042594 [0,1,0,0,0,0|2,0,1]=4 4661 B12R0.184 CCC(=O)CSCCCSC(=O)C 62a_100000038929_100000747405 [0,1,0,0,0,0|2,0,1]=4 4662 B12R0.184 CCC(=O)CSCCCSC(=O)C 62a_100000747405_100000038929 [0,1,0,0,0,0|2,0,1]=4 4663 B12R0.184 CCC(=O)NCCCCNC(=O)C 11a_200011368371_100000210414 [0,1,0,0,0,0|2,0,1]=4 4664 B12R0.184 CCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000210414 [0,1,0,0,0,0|2,0,1]=4 4665 B12R0.184 CCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000210414 [0,1,0,0,0,0|2,0,1]=4 4666 B12R0.184 CCC(=O)NCCCCNC(=O)C 527a_200011368371_100000210414 [0,1,0,0,0,0|2,0,1]=4 4667 B12R0.184 CCC(=O)NCCOCCC(=O)C 7a_200000158885_100000053229 [0,1,0,0,0,0|2,0,1]=4 4668 B12R0.184 CCC(=O)OCCOCCC(=O)C 7a_200000031056_100000053229 [0,1,0,0,0,0|2,0,1]=4 4669 B12R0.184 CCC(C)CCCCCOC(C)C 7a_200000035636_100000210206 [0,1,0,0,0,0|2,0,1]=4 4670 B12R0.184 CCC(C)CCCOCC=C(C)C 7a_100011216074_100000761012 [0,1,0,0,0,0|2,0,1]=4 4671 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,1,0,0,0,0|1,0,0]=2 4672 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [0,1,0,0,0,0|2,0,0]=3 4673 B12R0.184 CCC(C)CCCOCCC(C)C 7a_100011216074_100000210626 [0,1,0,0,0,0|2,0,1]=4 4674 B12R0.184 CCC(C)CCCOCCC(C)O 7a_100011216074_100012276601 [0,1,0,0,0,0|1,0,2]=4 4675 B12R0.184 CCC(C)CCCOCCN(C)C 7a_100011216074_100000755713 [0,1,0,0,0,0|3,0,0]=4 4676 B12R0.184 CCC(C)CCNCCC=C(C)C 2230a_100020591266_100011217483 [0,1,0,0,0,0|2,0,1]=4 4677 B12R0.184 CCC(C)CCNCCCC(C)C 2230a_100020591266_100011214892 [0,1,0,0,0,0|2,0,1]=4 4678 B12R0.184 CCC(C)CCNCCCC(C)O 2230a_100020591266_200000718107 [0,1,0,0,0,0|1,0,2]=4 4679 B12R0.184 CCC(C)CCNCCNC(=O)C 2230a_100020591266_100000189650 [0,1,0,0,0,0|2,0,0]=3 4680 B12R0.184 CCC(C)CCNCCNC(=O)N 2230a_100020591266_200000034859 [0,1,0,0,0,0|3,0,0]=4 4681 B12R0.184 CCC(C)CCOCCC=C(C)C 7a_100011215188_100011217483 [0,1,0,0,0,0|2,0,1]=4 4682 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,1,0,0,0,0|1,0,0]=2 4683 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,1,0,0,0,0|2,0,0]=3 4684 B12R0.184 CCC(C)CCOCCCC(C)C 7a_100011215188_100011214892 [0,1,0,0,0,0|2,0,1]=4 4685 B12R0.184 CCC(C)CCOCCCC(C)O 7a_100011215188_200000718107 [0,1,0,0,0,0|1,0,2]=4 4686 B12R0.184 CCC(C)CCOCCCN(C)C 7a_100011215188_100000757444 [0,1,0,0,0,0|3,0,0]=4 4687 B12R0.184 CCC(C)CCOCCNC(=O)C 7a_100011215188_100000189650 [0,1,0,0,0,0|2,0,0]=3 4688 B12R0.184 CCC(C)CCOCCNC(=O)N 7a_100011215188_200000034859 [0,1,0,0,0,0|3,0,0]=4 4689 B12R0.184 CCC(C)CCOCCOC(=O)C 7a_100011215188_100009814007 [0,1,0,0,0,0|2,0,0]=3 4690 B12R0.184 CCC(C)CCOCCOC(=O)N 7a_100011215188_200011214921 [0,1,0,0,0,0|3,0,0]=4 4691 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [0,1,0,0,0,0|2,0,0]=3 4692 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [0,1,0,0,0,0|2,0,0]=3 4693 B12R0.184 CCC(C)CNCCCCC(C)C 2230a_100020588543_100011216152 [0,1,0,0,0,0|2,0,1]=4 4694 B12R0.184 CCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243153 [0,1,0,0,0,0|2,0,0]=3 4695 B12R0.184 CCC(C)CNCCCNC(=O)C 34a_100000736810_100000748023 [0,1,0,0,0,0|2,0,0]=3 4696 B12R0.184 CCC(C)CNCCCOC(=S)C 2230a_100020588543_200135323944 [0,1,0,0,0,0|2,1,0]=4 4697 B12R0.184 CCC(C)CNCCCSC(=O)C 2230a_100020588543_100000038929 [0,1,0,0,0,0|2,0,0]=3 4698 B12R0.184 CCC(C)CNCCOCC(=O)N 2230a_100020588543_100000076697 [0,1,0,0,0,0|3,0,0]=4 4699 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [0,1,0,0,0,0|3,0,0]=4 4700 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [0,1,0,0,0,0|2,0,0]=3 4701 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [0,1,0,0,0,0|2,0,0]=3 4702 B12R0.184 CCC(C)COCCCCC(C)C 34a_100011214890_100000748023 [0,1,0,0,0,0|2,0,1]=4 4703 B12R0.184 CCC(C)COCCCCC(C)C 7a_100011214890_100000748023 [0,1,0,0,0,0|2,0,1]=4 4704 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000748023 [0,1,0,0,0,0|3,0,0]=4 4705 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000748023 [0,1,0,0,0,0|3,0,0]=4 4706 B12R0.184 CCC(C)COCCCNC(=O)C 34a_100000752032_100000748023 [0,1,0,0,0,0|2,0,0]=3 4707 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,1,0,0,0,0|1,0,0]=2 4708 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,1,0,0,0,0|1,0,0]=2 4709 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100000748023_100011216152 [0,1,0,0,0,0|2,0,1]=4 4710 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100011216152_100000748023 [0,1,0,0,0,0|2,0,1]=4 4711 B12R0.184 CCC(C)CSCCCCN(C)C 62a_100000748023_100000690147 [0,1,0,0,0,0|3,0,0]=4 4712 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000042594_100000748023 [0,1,0,0,0,0|2,0,0]=3 4713 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000748023_100000042594 [0,1,0,0,0,0|2,0,0]=3 4714 B12R0.184 CCC(C)CSCCCOC(=S)C 62a_100000748023_200135323944 [0,1,0,0,0,0|2,1,0]=4 4715 B12R0.184 CCC(C)CSCCCOC(=S)C 62a_200135323944_100000748023 [0,1,0,0,0,0|2,1,0]=4 4716 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000038929_100000748023 [0,1,0,0,0,0|2,0,0]=3 4717 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000748023_100000038929 [0,1,0,0,0,0|2,0,0]=3 4718 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000076697_100000748023 [0,1,0,0,0,0|3,0,0]=4 4719 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000748023_100000076697 [0,1,0,0,0,0|3,0,0]=4 4720 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [0,1,0,0,0,0|2,0,0]=3 4721 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100000209981_100000210682 [0,1,0,0,0,0|2,0,1]=4 4722 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100011290863_100000758301 [0,1,0,0,0,0|2,0,1]=4 4723 B12R0.184 CCC(C)NCCCCCC(C)C 34a_100011290863_100011215416 [0,1,0,0,0,0|2,0,1]=4 4724 B12R0.184 CCC(C)NCCCCNC(=O)C 2230a_200011368371_100000758301 [0,1,0,0,0,0|2,0,0]=3 4725 B12R0.184 CCC(C)NCCCCNC(=O)C 34a_200011368371_100011215416 [0,1,0,0,0,0|2,0,0]=3 4726 B12R0.184 CCC(C)NCCCCSC(=O)C 2230a_100000209981_200010402107 [0,1,0,0,0,0|2,0,0]=3 4727 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [0,1,0,0,0,0|2,0,0]=3 4728 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [0,1,0,0,0,0|2,0,0]=3 4729 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [0,1,0,0,0,0|2,0,0]=3 4730 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [0,1,0,0,0,0|2,0,0]=3 4731 B12R0.184 CCC(C)OCCCCCC(C)C 34a_100011995859_100011215416 [0,1,0,0,0,0|2,0,1]=4 4732 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100000210228_100000210682 [0,1,0,0,0,0|2,0,1]=4 4733 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100011995859_100000758301 [0,1,0,0,0,0|2,0,1]=4 4734 B12R0.184 CCC(C)OCCCCOC(=O)C 34a_100000073216_100011215416 [0,1,0,0,0,0|2,0,0]=3 4735 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000073216_100000758301 [0,1,0,0,0,0|2,0,0]=3 4736 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000210228_100000033659 [0,1,0,0,0,0|2,0,0]=3 4737 B12R0.184 CCC(C)OCCCCSC(=O)C 7a_100000210228_200010402107 [0,1,0,0,0,0|2,0,0]=3 4738 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [0,1,0,0,0,0|2,0,0]=3 4739 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [0,1,0,0,0,0|2,0,0]=3 4740 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000210682_100000758301 [0,1,0,0,0,0|2,0,1]=4 4741 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000758301_100000210682 [0,1,0,0,0,0|2,0,1]=4 4742 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000033659_100000758301 [0,1,0,0,0,0|2,0,0]=3 4743 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000758301_100000033659 [0,1,0,0,0,0|2,0,0]=3 4744 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_100000758301_200010402107 [0,1,0,0,0,0|2,0,0]=3 4745 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_200010402107_100000758301 [0,1,0,0,0,0|2,0,0]=3 4746 B12R0.184 CCC(C)SCOCCOC(=O)C 62a_100000076355_100000758301 [0,1,0,0,0,0|3,0,0]=4 4747 B12R0.184 CCC(C)SCOCCOC(=O)C 62a_100000758301_100000076355 [0,1,0,0,0,0|3,0,0]=4 4748 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [0,1,0,0,0,0|2,0,0]=3 4749 B12R0.184 CCC(O)CNCCCCC(C)C 2230a_100011218483_100011216152 [0,1,0,0,0,0|2,0,1]=4 4750 B12R0.184 CCC(O)CNCCCNC(=O)C 34a_100000736810_100011218378 [0,1,0,0,0,0|2,0,0]=3 4751 B12R0.184 CCC(O)CNCCCOC(=S)C 2230a_100011218483_200135323944 [0,1,0,0,0,0|2,1,0]=4 4752 B12R0.184 CCC(O)CNCCCSC(=O)C 2230a_100011218483_100000038929 [0,1,0,0,0,0|2,0,0]=3 4753 B12R0.184 CCC(O)CNCCOCC(=O)N 2230a_100011218483_100000076697 [0,1,0,0,0,0|3,0,0]=4 4754 B12R0.184 CCC(O)CNCCOCC(=O)O 269956a_100000700818_100011218378 [0,1,0,0,0,0|3,0,0]=4 4755 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,1,0,0,0,0|2,0,0]=3 4756 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,1,0,0,0,0|2,0,0]=3 4757 B12R0.184 CCC(O)COCCCCC(C)C 34a_100011214890_100011218378 [0,1,0,0,0,0|2,0,1]=4 4758 B12R0.184 CCC(O)COCCCCC(C)C 7a_100011214890_100011218378 [0,1,0,0,0,0|2,0,1]=4 4759 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218378 [0,1,0,0,0,0|3,0,0]=4 4760 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218378 [0,1,0,0,0,0|3,0,0]=4 4761 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,1,0,0,0,0|2,0,0]=3 4762 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,1,0,0,0,0|1,0,0]=2 4763 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,1,0,0,0,0|1,0,0]=2 4764 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011216152_100011218378 [0,1,0,0,0,0|2,0,1]=4 4765 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011218378_100011216152 [0,1,0,0,0,0|2,0,1]=4 4766 B12R0.184 CCC(O)CSCCCCN(C)C 62a_100011218378_100000690147 [0,1,0,0,0,0|3,0,0]=4 4767 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100000042594_100011218378 [0,1,0,0,0,0|2,0,0]=3 4768 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100011218378_100000042594 [0,1,0,0,0,0|2,0,0]=3 4769 B12R0.184 CCC(O)CSCCCOC(=S)C 62a_100011218378_200135323944 [0,1,0,0,0,0|2,1,0]=4 4770 B12R0.184 CCC(O)CSCCCOC(=S)C 62a_200135323944_100011218378 [0,1,0,0,0,0|2,1,0]=4 4771 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100000038929_100011218378 [0,1,0,0,0,0|2,0,0]=3 4772 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100011218378_100000038929 [0,1,0,0,0,0|2,0,0]=3 4773 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100000076697_100011218378 [0,1,0,0,0,0|3,0,0]=4 4774 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100011218378_100000076697 [0,1,0,0,0,0|3,0,0]=4 4775 B12R0.184 CCN(C)CCCCCOC(=O)C 2230a_100000225621_100009813381 [0,1,0,0,0,0|2,0,0]=3 4776 B12R0.184 CCN(C)CCCCCOC(=O)C 269982a_100000225621_100000033007 [0,1,0,0,0,0|2,0,0]=3 4777 B12R0.184 CCN(C)CCCOCCC(=O)C 7a_100000759926_100015186262 [0,1,0,0,0,0|2,0,0]=3 4778 B12R0.184 CCN(C)CCCOCCC(=O)N 7a_100000757172_100015186262 [0,1,0,0,0,0|3,0,0]=4 4779 B12R0.184 CCN(C)CCCSCCC(=O)C 62a_100000053229_100015186262 [0,1,0,0,0,0|2,0,0]=3 4780 B12R0.184 CCN(C)CCCSCCC(=O)N 62a_100000744528_100015186262 [0,1,0,0,0,0|3,0,0]=4 4781 B12R0.184 CCN(C)CCCSCOC(=O)C 62a_100000076356_100015186262 [0,1,0,0,0,0|3,0,0]=4 4782 B12R0.184 CCN(C)CCOCCOC(=O)C 2230a_100000225621_200000083610 [0,1,0,0,0,0|3,0,0]=4 4783 B12R0.184 CCN(C)CCOCCOC(=O)C 269982a_100000225621_200000083610 [0,1,0,0,0,0|3,0,0]=4 4784 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [0,1,0,0,0,0|2,0,0]=3 4785 B12R0.184 CC[C@H](C)CNCCCNC(=O)C 34a_100000736810_100009816398 [0,1,0,0,0,0|2,0,0]=3 4786 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [0,1,0,0,0,0|3,0,0]=4 4787 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,1,0,0,0,0|1,0,0]=2 4788 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [0,1,0,0,0,0|2,0,0]=3 4789 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [0,1,0,0,0,0|2,0,0]=3 4790 B12R0.184 CC[C@H](C)COCCCCC(C)C 34a_100011214890_100009816398 [0,1,0,0,0,0|2,0,1]=4 4791 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100009816381_100011216152 [0,1,0,0,0,0|2,0,1]=4 4792 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100011214890_100009816398 [0,1,0,0,0,0|2,0,1]=4 4793 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 34a_200015379883_100009816398 [0,1,0,0,0,0|3,0,0]=4 4794 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 7a_200015379883_100009816398 [0,1,0,0,0,0|3,0,0]=4 4795 B12R0.184 CC[C@H](C)COCCCNC(=O)C 34a_100000752032_100009816398 [0,1,0,0,0,0|2,0,0]=3 4796 B12R0.184 CC[C@H](C)COCCCOC(=O)C 7a_100009816381_100000042594 [0,1,0,0,0,0|2,0,0]=3 4797 B12R0.184 CC[C@H](C)COCCCOC(=S)C 7a_100009816381_200135323944 [0,1,0,0,0,0|2,1,0]=4 4798 B12R0.184 CC[C@H](C)COCCCSC(=O)C 7a_100009816381_100000038929 [0,1,0,0,0,0|2,0,0]=3 4799 B12R0.184 CC[C@H](C)COCCOCC(=O)N 7a_100009816381_100000076697 [0,1,0,0,0,0|3,0,0]=4 4800 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,1,0,0,0,0|1,0,0]=2 4801 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,1,0,0,0,0|1,0,0]=2 4802 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100009816398_100011216152 [0,1,0,0,0,0|2,0,1]=4 4803 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100011216152_100009816398 [0,1,0,0,0,0|2,0,1]=4 4804 B12R0.184 CC[C@H](C)CSCCCCN(C)C 62a_100009816398_100000690147 [0,1,0,0,0,0|3,0,0]=4 4805 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100000042594_100009816398 [0,1,0,0,0,0|2,0,0]=3 4806 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100009816398_100000042594 [0,1,0,0,0,0|2,0,0]=3 4807 B12R0.184 CC[C@H](C)CSCCCOC(=S)C 62a_100009816398_200135323944 [0,1,0,0,0,0|2,1,0]=4 4808 B12R0.184 CC[C@H](C)CSCCCOC(=S)C 62a_200135323944_100009816398 [0,1,0,0,0,0|2,1,0]=4 4809 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100000038929_100009816398 [0,1,0,0,0,0|2,0,0]=3 4810 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100009816398_100000038929 [0,1,0,0,0,0|2,0,0]=3 4811 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100000076697_100009816398 [0,1,0,0,0,0|3,0,0]=4 4812 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100009816398_100000076697 [0,1,0,0,0,0|3,0,0]=4 4813 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [0,1,0,0,0,0|2,0,1]=4 4814 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [0,1,0,0,0,0|2,0,1]=4 4815 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [0,1,0,0,0,0|2,0,1]=4 4816 B12R0.184 CNC(=O)CCCOCCC(=O)C 34a_100000759926_100000741757 [0,1,0,0,0,0|2,0,1]=4 4817 B12R0.184 CNC(=O)CCCOCCC(=O)C 7a_100000759926_100000741757 [0,1,0,0,0,0|2,0,1]=4 4818 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000053229_100000741757 [0,1,0,0,0,0|2,0,1]=4 4819 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000741757_100000053229 [0,1,0,0,0,0|2,0,1]=4 4820 B12R0.184 CNC(=O)CCNCCCC(=O)C 34a_100000738227_100000685027 [0,1,0,0,0,0|2,0,1]=4 4821 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000754576_100000685027 [0,1,0,0,0,0|2,0,1]=4 4822 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000759063_100012179268 [0,1,0,0,0,0|2,0,1]=4 4823 B12R0.184 CNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737683 [0,1,0,0,0,0|2,0,1]=4 4824 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100000737683_100011215641 [0,1,0,0,0,0|2,0,1]=4 4825 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737683 [0,1,0,0,0,0|2,0,1]=4 4826 B12R0.184 CNC(=O)COCCCCC(=O)C 34a_100000750040_100009817362 [0,1,0,0,0,0|2,0,1]=4 4827 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000183359_100000735457 [0,1,0,0,0,0|2,0,1]=4 4828 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183359 [0,1,0,0,0,0|2,0,1]=4 4829 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,0|1,0,1]=3 4830 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,0|1,0,1]=3 4831 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,0|1,0,1]=3 4832 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,1,0,0,0,0|2,0,1]=4 4833 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,1,0,0,0,0|2,0,1]=4 4834 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [0,1,0,0,0,0|2,0,1]=4 4835 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [0,1,0,0,0,0|2,0,1]=4 4836 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [0,1,0,0,0,0|2,0,1]=4 4837 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [0,1,0,0,0,0|2,0,1]=4 4838 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [0,1,0,0,0,0|2,0,1]=4 4839 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [0,1,0,0,0,0|2,0,1]=4 4840 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [0,1,0,0,0,0|2,0,1]=4 4841 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [0,1,0,0,0,0|2,0,1]=4 4842 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,1,0,0,0,0|2,0,1]=4 4843 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,1,0,0,0,0|2,0,1]=4 4844 B12R0.184 COC(C)CCOCCCC(=O)C 7a_100000764861_100011215641 [0,1,0,0,0,0|2,0,0]=3 4845 B12R0.184 COC(C)CCOCCCC(=O)N 7a_100000764861_100102525003 [0,1,0,0,0,0|3,0,0]=4 4846 B12R0.184 COC(C)CCOCCNC(=O)C 7a_100000764861_100000189650 [0,1,0,0,0,0|3,0,0]=4 4847 B12R0.184 COC(C)CCOCCOC(=O)C 7a_100000764861_100009814007 [0,1,0,0,0,0|3,0,0]=4 4848 B12R0.184 COC(C)COCCCCC(=O)C 34a_100000690652_100009817362 [0,1,0,0,0,0|2,0,0]=3 4849 B12R0.184 COC(C)COCCCOC(=O)C 34a_100000690652_100000042594 [0,1,0,0,0,0|3,0,0]=4 4850 B12R0.184 COC(C)COCCCSC(=O)C 34a_100000690652_100000038929 [0,1,0,0,0,0|3,0,0]=4 4851 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009817443_100009879195 [0,1,0,0,0,0|3,0,0]=4 4852 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009879195_100009817443 [0,1,0,0,0,0|3,0,0]=4 4853 B12R0.184 COC(C)SCCCCOC(=O)C 62a_100000033659_100009879195 [0,1,0,0,0,0|3,0,0]=4 4854 B12R0.184 COC(C)SCCCCOC(=O)C 62a_100009879195_100000033659 [0,1,0,0,0,0|3,0,0]=4 4855 B12R0.184 COC(C)SCCCCSC(=O)C 62a_100009879195_200010402107 [0,1,0,0,0,0|3,0,0]=4 4856 B12R0.184 COC(C)SCCCCSC(=O)C 62a_200010402107_100009879195 [0,1,0,0,0,0|3,0,0]=4 4857 B12R0.184 CO[C@H](C)CNCCCSC(=O)C 2230a_100020591295_100000038929 [0,1,0,0,0,0|3,0,0]=4 4858 B12R0.184 C[C@@H](CN)CCCOCCC(=O)N 34a_100160569302_100000731001 [0,1,0,0,0,0|3,0,0]=4 4859 B12R0.184 C[C@@H](CO)CNCCCCC(=O)N 34a_100000696515_100000059175 [0,1,0,0,0,0|3,0,0]=4 4860 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 34a_100012022536_100000059175 [0,1,0,0,0,0|3,0,0]=4 4861 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 7a_100012022536_100000059175 [0,1,0,0,0,0|3,0,0]=4 4862 B12R0.184 C[C@H](CO)NCCCCCC(=O)N 2230a_100000737577_100009817443 [0,1,0,0,0,0|3,0,0]=4 4863 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100009817443_100016084084 [0,1,0,0,0,0|3,0,0]=4 4864 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100016084084_100009817443 [0,1,0,0,0,0|3,0,0]=4 4865 B12R0.184 NC(=O)CCCCNCC(O)CO 34a_100000696515_100011219619 [0,1,0,0,0,0|3,0,0]=4 4866 B12R0.184 NC(=O)CCCCNC[C@@H](O)CF 34a_100000696515_100015614560 [0,1,0,0,0,0|3,0,0]=4 4867 B12R0.184 NC(=O)CCCCNC[C@@H](O)CO 34a_100000696515_100009815848 [0,1,0,0,0,0|3,0,0]=4 4868 B12R0.184 NC(=O)CCCCOCC(O)CO 34a_100012022536_100011219619 [0,1,0,0,0,0|3,0,0]=4 4869 B12R0.184 NC(=O)CCCCOCC(O)CO 7a_100012022536_100011219619 [0,1,0,0,0,0|3,0,0]=4 4870 B12R0.184 NC(=O)CCCCOC[C@@H](O)CF 34a_100012022536_100015614560 [0,1,0,0,0,0|3,0,0]=4 4871 B12R0.184 NC(=O)CCCCOC[C@@H](O)CF 7a_100012022536_100015614560 [0,1,0,0,0,0|3,0,0]=4 4872 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO 34a_100012022536_100009815848 [0,1,0,0,0,0|3,0,0]=4 4873 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO 7a_100012022536_100009815848 [0,1,0,0,0,0|3,0,0]=4 4874 B12R0.233 C#CCCCC(=O)CCCC(=O)C 1458a_100000690238_100011215641 [0,1,0,0,0,0|0,0,3]=4 4875 B12R0.233 C=C(Br)CCOC(C)CCCCC 34a_100009813270_200011218191 [0,1,0,0,0,0|2,0,1]=4 4876 B12R0.233 C=C(C)CCNC(C)CCCCC 2230a_100000211957_100000730704 [0,1,0,0,0,0|2,0,0]=3 4877 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,1,0,0,0,0|2,0,0]=3 4878 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,1,0,0,0,0|2,0,0]=3 4879 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,1,0,0,0,0|2,0,0]=3 4880 B12R0.233 C=C(C)CCOC(C)CCCOC 34a_200011539412_100000730704 [0,1,0,0,0,0|3,0,0]=4 4881 B12R0.233 C=C(C)CCOC(C)CCCOC 7a_200011539412_100000730704 [0,1,0,0,0,0|3,0,0]=4 4882 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_100000730704_200011218191 [0,1,0,0,0,0|2,0,0]=3 4883 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_200011218191_100000730704 [0,1,0,0,0,0|2,0,0]=3 4884 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [0,1,0,0,0,0|2,0,1]=4 4885 B12R0.233 C=C(C)COC[C@@H](N)CCCCN 34a_100016993712_100000748629 [0,1,0,0,0,0|3,0,0]=4 4886 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_100000748629_200012276598 [0,1,0,0,0,0|2,0,1]=4 4887 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_200012276598_100000211660 [0,1,0,0,0,0|2,0,1]=4 4888 B12R0.233 C=CCCCC(=O)CCCC(=O)C 1458a_100000766728_100011215641 [0,1,0,0,0,0|0,0,3]=4 4889 B12R0.233 CC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011215641 [0,1,0,0,0,0|1,0,2]=4 4890 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,1,0,0,0,0|1,0,1]=3 4891 B12R0.233 CC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215641 [0,1,0,0,0,0|2,0,1]=4 4892 B12R0.233 CC(=O)CCCN(C)CCCCO 269982a_100000717598_100011215641 [0,1,0,0,0,0|2,0,0]=3 4893 B12R0.233 CC(=O)NCCC(=O)CCCCF 1458a_100000183196_100000729493 [0,1,0,0,0,0|2,0,1]=4 4894 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000183196_100000210776 [0,1,0,0,0,0|2,0,1]=4 4895 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000695505_100000189650 [0,1,0,0,0,0|2,0,1]=4 4896 B12R0.233 CC(=O)NCCN(C)CCCCO 2230a_100000717598_100000189650 [0,1,0,0,0,0|3,0,0]=4 4897 B12R0.233 CC(=O)NCCN(C)CCCCO 269982a_100000717598_100000189650 [0,1,0,0,0,0|3,0,0]=4 4898 B12R0.233 CC(=O)OCCC(=O)CCCCO 1458a_100000695505_100009814007 [0,1,0,0,0,0|2,0,1]=4 4899 B12R0.233 CC(=O)OCCN(C)CCCCO 269982a_100000717598_100009814007 [0,1,0,0,0,0|3,0,0]=4 4900 B12R0.233 CC(=O)SCCC(=O)CCCCF 1458a_100000048949_100000729493 [0,1,0,0,0,0|2,0,1]=4 4901 B12R0.233 CC(=O)SCCC(=O)CCCCO 1458a_100000048949_100000210776 [0,1,0,0,0,0|2,0,1]=4 4902 B12R0.233 CC(CCCC(=O)[O-])OCCCF 7a_100000761597_100011934791 [0,1,0,0,0,0|3,0,0]=4 4903 B12R0.233 CC(CCCC(=O)[O-])OCCCO 7a_100000761597_100011215043 [0,1,0,0,0,0|3,0,0]=4 4904 B12R0.233 CC/C=C/CC(=O)CCCC(=O)C 1458a_100016274230_100011215641 [0,1,0,0,0,0|0,0,3]=4 4905 B12R0.233 CCC#CCC(C)OCCC(=O)C 7a_200000035118_100000053229 [0,1,0,0,0,0|1,0,2]=4 4906 B12R0.233 CCCC#CC(=O)CCCC(=O)C 1458a_200011218047_100011215641 [0,1,0,0,0,0|0,0,3]=4 4907 B12R0.233 CCCC=CC(=O)CCCC(=O)C 1458a_100000212230_100011215641 [0,1,0,0,0,0|0,0,3]=4 4908 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,1,0,0,0,0|1,0,2]=4 4909 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,1,0,0,0,0|0,0,1]=2 4910 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,1,0,0,0,0|1,0,1]=3 4911 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,1,0,0,0,0|1,0,2]=4 4912 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,1,0,0,0,0|1,0,2]=4 4913 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,1,0,0,0,0|0,0,3]=4 4914 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [0,1,0,0,0,0|2,0,1]=4 4915 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,1,0,0,0,0|2,0,1]=4 4916 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,1,0,0,0,0|1,0,1]=3 4917 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,1,0,0,0,0|1,0,1]=3 4918 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,1,0,0,0,0|2,0,1]=4 4919 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,1,0,0,0,0|2,0,1]=4 4920 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,1,0,0,0,0|1,0,1]=3 4921 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,1,0,0,0,0|2,0,1]=4 4922 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,1,0,0,0,0|1,0,1]=3 4923 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,1,0,0,0,0|2,0,1]=4 4924 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,1,0,0,0,0|2,0,1]=4 4925 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,1,0,0,0,0|1,0,1]=3 4926 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,1,0,0,0,0|2,0,1]=4 4927 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,1,0,0,0,0|2,0,1]=4 4928 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,1,0,0,0,0|2,0,1]=4 4929 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,1,0,0,0,0|2,0,1]=4 4930 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,1,0,0,0,0|2,0,1]=4 4931 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 4932 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 4933 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,1,0,0,0,0|2,0,1]=4 4934 B12R0.233 CCCCCC(C)NCC=C(C)C 2230a_100000211957_100000761012 [0,1,0,0,0,0|2,0,1]=4 4935 B12R0.233 CCCCCC(C)NCC=C(C)C 270004a_100000718196_100000211708 [0,1,0,0,0,0|2,0,1]=4 4936 B12R0.233 CCCCCC(C)NCC=C(C)C 34a_100000718196_200011218191 [0,1,0,0,0,0|2,0,1]=4 4937 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,1,0,0,0,0|2,0,0]=3 4938 B12R0.233 CCCCCC(C)NCCC(C)C 2230a_100000211957_100000210312 [0,1,0,0,0,0|2,0,1]=4 4939 B12R0.233 CCCCCC(C)NCCC(C)C 269862a_100000211957_100000185833 [0,1,0,0,0,0|2,0,1]=4 4940 B12R0.233 CCCCCC(C)NCCC(C)C 270004a_100000210545_100000211708 [0,1,0,0,0,0|2,0,1]=4 4941 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_100000211957_100012276601 [0,1,0,0,0,0|1,0,2]=4 4942 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_200000755665_200011218191 [0,1,0,0,0,0|1,0,2]=4 4943 B12R0.233 CCCCCC(C)NCCC(C)O 270004a_200000755665_100000211708 [0,1,0,0,0,0|1,0,2]=4 4944 B12R0.233 CCCCCC(C)NCCN(C)C 270004a_100000210585_100000211708 [0,1,0,0,0,0|3,0,0]=4 4945 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [0,1,0,0,0,0|3,0,0]=4 4946 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100000753907_200011218191 [0,1,0,0,0,0|2,0,1]=4 4947 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100011215632_100000761012 [0,1,0,0,0,0|2,0,1]=4 4948 B12R0.233 CCCCCC(C)OCC=C(C)C 7a_100011215632_100000761012 [0,1,0,0,0,0|2,0,1]=4 4949 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,1,0,0,0,0|1,0,0]=2 4950 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,1,0,0,0,0|1,0,0]=2 4951 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,1,0,0,0,0|1,0,0]=2 4952 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,1,0,0,0,0|2,0,0]=3 4953 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,1,0,0,0,0|2,0,0]=3 4954 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,1,0,0,0,0|2,0,0]=3 4955 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,1,0,0,0,0|2,0,0]=3 4956 B12R0.233 CCCCCC(C)OCCC(C)Br 34a_100009893172_200011218191 [0,1,0,0,0,0|2,0,1]=4 4957 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [0,1,0,0,0,0|2,0,1]=4 4958 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [0,1,0,0,0,0|2,0,1]=4 4959 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [0,1,0,0,0,0|2,0,1]=4 4960 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [0,1,0,0,0,0|2,0,1]=4 4961 B12R0.233 CCCCCC(C)OCCC(C)O 34a_100011215632_100012276601 [0,1,0,0,0,0|1,0,2]=4 4962 B12R0.233 CCCCCC(C)OCCC(C)O 7a_100011215632_100012276601 [0,1,0,0,0,0|1,0,2]=4 4963 B12R0.233 CCCCCC(C)OCCN(C)C 7a_100011215632_100000755713 [0,1,0,0,0,0|3,0,0]=4 4964 B12R0.233 CCCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011218191 [0,1,0,0,0,0|2,0,1]=4 4965 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [0,1,0,0,0,0|2,0,0]=3 4966 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_100000761012_200011218191 [0,1,0,0,0,0|2,0,1]=4 4967 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_200011218191_100000761012 [0,1,0,0,0,0|2,0,1]=4 4968 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,1,0,0,0,0|1,0,0]=2 4969 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,1,0,0,0,0|1,0,0]=2 4970 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,1,0,0,0,0|2,0,0]=3 4971 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,1,0,0,0,0|2,0,0]=3 4972 B12R0.233 CCCCCC(C)SCCC(C)C 62a_100000210312_200011218191 [0,1,0,0,0,0|2,0,1]=4 4973 B12R0.233 CCCCCC(C)SCCC(C)C 62a_200011218191_100000210312 [0,1,0,0,0,0|2,0,1]=4 4974 B12R0.233 CCCCCC(C)SCCC(C)O 62a_100012276601_200011218191 [0,1,0,0,0,0|1,0,2]=4 4975 B12R0.233 CCCCCC(C)SCCC(C)O 62a_200011218191_100012276601 [0,1,0,0,0,0|1,0,2]=4 4976 B12R0.233 CCCCCC(C)SCCN(C)C 62a_200011218191_100000755713 [0,1,0,0,0,0|3,0,0]=4 4977 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [0,1,0,0,0,0|2,0,0]=3 4978 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [0,1,0,0,0,0|2,0,0]=3 4979 B12R0.233 CCCCCN(C)CCC=C(C)C 2230a_100000223495_100011217483 [0,1,0,0,0,0|2,0,1]=4 4980 B12R0.233 CCCCCN(C)CCC=C(C)C 269982a_100000223495_100011217483 [0,1,0,0,0,0|2,0,1]=4 4981 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,1,0,0,0,0|1,0,0]=2 4982 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,1,0,0,0,0|2,0,0]=3 4983 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,1,0,0,0,0|2,0,0]=3 4984 B12R0.233 CCCCCN(C)CCCC(C)C 2230a_100000223495_100011214892 [0,1,0,0,0,0|2,0,1]=4 4985 B12R0.233 CCCCCN(C)CCCC(C)C 269982a_100000223495_100011214892 [0,1,0,0,0,0|2,0,1]=4 4986 B12R0.233 CCCCCN(C)CCCC(C)O 2230a_100000223495_200000718107 [0,1,0,0,0,0|1,0,2]=4 4987 B12R0.233 CCCCCN(C)CCCC(C)O 269982a_100000223495_200000718107 [0,1,0,0,0,0|1,0,2]=4 4988 B12R0.233 CCCCCN(C)CCCN(C)C 269982a_100000223495_100000757444 [0,1,0,0,0,0|3,0,0]=4 4989 B12R0.233 CCCCCN(C)CCCN(C)C 269982a_100000225831_100000210215 [0,1,0,0,0,0|3,0,0]=4 4990 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,1,0,0,0,0|2,0,0]=3 4991 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,1,0,0,0,0|2,0,0]=3 4992 B12R0.233 CCCCCN(C)CCNC(=O)N 2230a_100000223495_200000034859 [0,1,0,0,0,0|3,0,0]=4 4993 B12R0.233 CCCCCN(C)CCNC(=O)N 269982a_100000223495_200000034859 [0,1,0,0,0,0|3,0,0]=4 4994 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,1,0,0,0,0|2,0,0]=3 4995 B12R0.233 CCCCCN(C)CCOC(=O)N 269982a_100000223495_200011214921 [0,1,0,0,0,0|3,0,0]=4 4996 B12R0.233 CCCCNC(=O)CCNC(=O)C 11a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 4997 B12R0.233 CCCCNC(=O)CCNC(=O)C 1626a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 4998 B12R0.233 CCCCNC(=O)CCNC(=O)C 240690a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 4999 B12R0.233 CCCCNC(=O)CCNC(=O)C 527a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 5000 B12R0.233 CCCCNC(=O)CCSC(=O)C 1626a_100000102301_100000048949 [0,1,0,0,0,0|2,0,1]=4 5001 B12R0.233 CCCCNC(=O)CCSC(=O)C 240690a_100000102301_100000048949 [0,1,0,0,0,0|2,0,1]=4 5002 B12R0.233 CCCCNC(=O)COCC(=O)C 34a_100000211253_100000182744 [0,1,0,0,0,0|2,0,1]=4 5003 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [0,1,0,0,0,0|2,0,1]=4 5004 B12R0.233 CCCCNC(C)CCCC(C)C 2230a_100000210607_100000210211 [0,1,0,0,0,0|2,0,1]=4 5005 B12R0.233 CCCCNC(C)CCCC(C)C 270004a_100000102301_100000753411 [0,1,0,0,0,0|2,0,1]=4 5006 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,1,0,0,0,0|2,0,1]=4 5007 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,1,0,0,0,0|2,0,1]=4 5008 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,1,0,0,0,0|2,0,1]=4 5009 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,1,0,0,0,0|2,0,0]=3 5010 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [0,1,0,0,0,0|2,0,1]=4 5011 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [0,1,0,0,0,0|2,0,1]=4 5012 B12R0.233 CCCNCC(C)CCC=C(C)C 270004a_100020643023_100000033009 [0,1,0,0,0,0|2,0,1]=4 5013 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,1,0,0,0,0|1,0,1]=3 5014 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,1,0,0,0,0|2,0,1]=4 5015 B12R0.233 CCCOCC(=O)CCNC(=O)C 1458a_100000745993_100000189650 [0,1,0,0,0,0|2,0,1]=4 5016 B12R0.233 CCCOCC(=O)CCOC(=O)C 1458a_100000745993_100009814007 [0,1,0,0,0,0|2,0,1]=4 5017 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,1,0,0,0,0|1,0,1]=3 5018 B12R0.233 CCCSCC(=O)CCCC(=O)N 1458a_100000217233_100102525003 [0,1,0,0,0,0|2,0,1]=4 5019 B12R0.233 CCCSCC(=O)CCNC(=O)C 1458a_100000217233_100000189650 [0,1,0,0,0,0|2,0,1]=4 5020 B12R0.233 CCCSCC(=O)CCOC(=O)C 1458a_100000217233_100009814007 [0,1,0,0,0,0|2,0,1]=4 5021 B12R0.233 CCNCCC(C)CCC=C(C)C 2230a_100015525214_100009814015 [0,1,0,0,0,0|2,0,1]=4 5022 B12R0.233 CCNCCC(C)CCC=C(C)C 269862a_100015525214_100000212096 [0,1,0,0,0,0|2,0,1]=4 5023 B12R0.233 CCNCCC(C)CCC=C(C)C 270004a_100015525214_100000212096 [0,1,0,0,0,0|2,0,1]=4 5024 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_100015525214_100009816328 [0,1,0,0,0,0|2,0,1]=4 5025 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210202 [0,1,0,0,0,0|2,0,1]=4 5026 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,1,0,0,0,0|1,0,1]=3 5027 B12R0.233 CCOCCC(=O)CCCC(=O)N 1458a_100000749530_100102525003 [0,1,0,0,0,0|2,0,1]=4 5028 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215890 [0,1,0,0,0,0|2,0,1]=4 5029 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000749530_100000189650 [0,1,0,0,0,0|2,0,1]=4 5030 B12R0.233 CCOCCC(=O)CCOC(=O)C 1458a_100000749530_100009814007 [0,1,0,0,0,0|2,0,1]=4 5031 B12R0.233 CCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215890 [0,1,0,0,0,0|2,0,1]=4 5032 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,1,0,0,0,0|2,0,1]=4 5033 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,1,0,0,0,0|2,0,1]=4 5034 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,1,0,0,0,0|2,0,1]=4 5035 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [0,1,0,0,0,0|2,0,1]=4 5036 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [0,1,0,0,0,0|2,0,1]=4 5037 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [0,1,0,0,0,0|2,0,1]=4 5038 B12R0.233 CCOCCN(C)CCCC(=O)O 269956a_100000719178_100000210147 [0,1,0,0,0,0|3,0,0]=4 5039 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,1,0,0,0,0|1,0,1]=3 5040 B12R0.233 CCSCCC(=O)CCCC(=O)N 1458a_100000230768_100102525003 [0,1,0,0,0,0|2,0,1]=4 5041 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000183196_100000757381 [0,1,0,0,0,0|2,0,1]=4 5042 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000230768_100000189650 [0,1,0,0,0,0|2,0,1]=4 5043 B12R0.233 CCSCCC(=O)CCOC(=O)C 1458a_100000230768_100009814007 [0,1,0,0,0,0|2,0,1]=4 5044 B12R0.233 CCSCCC(=O)CCSC(=O)C 1458a_100000048949_100000757381 [0,1,0,0,0,0|2,0,1]=4 5045 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100000210202_100009814015 [0,1,0,0,0,0|2,0,1]=4 5046 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210202 [0,1,0,0,0,0|2,0,1]=4 5047 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100000210202_100009816328 [0,1,0,0,0,0|2,0,1]=4 5048 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100009816328_100000210202 [0,1,0,0,0,0|2,0,1]=4 5049 B12R0.233 CCSCCN(C)CCCC(=O)O 269956a_100000719178_100000757381 [0,1,0,0,0,0|3,0,0]=4 5050 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [0,1,0,0,0,0|3,0,0]=4 5051 B12R0.233 CN(CCCCO)CCCC(=O)N 269982a_100000717598_100102525003 [0,1,0,0,0,0|3,0,0]=4 5052 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [0,1,0,0,0,0|3,0,0]=4 5053 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,1,0,0,0,0|1,0,1]=3 5054 B12R0.233 COCCCC(=O)CCCC(=O)N 1458a_100000741012_100102525003 [0,1,0,0,0,0|2,0,1]=4 5055 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000183196_100000740836 [0,1,0,0,0,0|2,0,1]=4 5056 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000741012_100000189650 [0,1,0,0,0,0|2,0,1]=4 5057 B12R0.233 COCCCC(=O)CCOC(=O)C 1458a_100000741012_100009814007 [0,1,0,0,0,0|2,0,1]=4 5058 B12R0.233 COCCCC(=O)CCSC(=O)C 1458a_100000048949_100000740836 [0,1,0,0,0,0|2,0,1]=4 5059 B12R0.233 COCCCC(C)OCCC(=O)C 7a_200011539412_100000053229 [0,1,0,0,0,0|2,0,0]=3 5060 B12R0.233 COCCCC(C)OCCC(=O)N 34a_200011539412_100000731001 [0,1,0,0,0,0|3,0,0]=4 5061 B12R0.233 COCCCC(C)OCCC(=O)N 7a_200011539412_100000744528 [0,1,0,0,0,0|3,0,0]=4 5062 B12R0.233 COCCCC(C)OCOC(=O)C 34a_200011539412_100009813279 [0,1,0,0,0,0|3,0,0]=4 5063 B12R0.233 COCCCN(C)CCCC(=O)C 269982a_100000224831_100011215641 [0,1,0,0,0,0|2,0,0]=3 5064 B12R0.233 COCCCN(C)CCCC(=O)N 269982a_100000224831_100102525003 [0,1,0,0,0,0|3,0,0]=4 5065 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [0,1,0,0,0,0|3,0,0]=4 5066 B12R0.233 COCCCN(C)CCNC(=O)C 2230a_100000224831_100000189650 [0,1,0,0,0,0|3,0,0]=4 5067 B12R0.233 COCCCN(C)CCNC(=O)C 269982a_100000224831_100000189650 [0,1,0,0,0,0|3,0,0]=4 5068 B12R0.233 COCCCN(C)CCOC(=O)C 269982a_100000224831_100009814007 [0,1,0,0,0,0|3,0,0]=4 5069 B12R0.233 COCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000233755 [0,1,0,0,0,0|3,0,0]=4 5070 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,1,0,0,0,0|1,0,1]=3 5071 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [0,1,0,0,0,0|2,0,1]=4 5072 B12R0.233 CSCCCC(=O)CCNC(=O)C 1458a_100000173376_100000189650 [0,1,0,0,0,0|2,0,1]=4 5073 B12R0.233 CSCCCC(=O)CCOC(=O)C 1458a_100000173376_100009814007 [0,1,0,0,0,0|2,0,1]=4 5074 B12R0.233 CSCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000212216 [0,1,0,0,0,0|3,0,0]=4 5075 B12R0.233 NC(=O)CCCC(=O)CCCCO 1458a_100000695505_100102525003 [0,1,0,0,0,0|2,0,1]=4 5076 B12R0.233 NCCCC[C@H](N)COCC(=O)N 34a_100016993712_100000187820 [0,1,0,0,0,0|3,0,0]=4 5077 B12R0.233 NCCCC[C@H](N)COCC(=O)[O-] 34a_100016993712_100020667443 [0,1,0,0,0,0|3,0,0]=4 5078 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,0,0,0,0|0,0,1]=2 5079 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,0,0,0,0|0,0,1]=2 5080 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,1,0,0,0,0|1,0,2]=4 5081 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,1,0,0,0,0|1,0,2]=4 5082 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100000210245_100012276617 [0,1,0,0,0,0|1,0,2]=4 5083 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100011217361_100000748629 [0,1,0,0,0,0|1,0,2]=4 5084 B12R0.234 C#CCCCCCCOCC(=C)C 7a_100011217361_100000748629 [0,1,0,0,0,0|1,0,2]=4 5085 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,1,0,0,0,0|0,0,2]=3 5086 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 5087 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 5088 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,1,0,0,0,0|1,0,2]=4 5089 B12R0.234 C#CCCCCCCSCC(=C)C 62a_100000748629_100012276617 [0,1,0,0,0,0|1,0,2]=4 5090 B12R0.234 C#CCCCCCCSCC(=C)C 62a_100012276617_100000211660 [0,1,0,0,0,0|1,0,2]=4 5091 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,1,0,0,0,0|1,0,2]=4 5092 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,1,0,0,0,0|1,0,2]=4 5093 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,1,0,0,0,0|1,0,2]=4 5094 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,1,0,0,0,0|1,0,2]=4 5095 B12R0.234 C#CCCCCCOCCC(=C)C 34a_100000764851_100012094781 [0,1,0,0,0,0|1,0,2]=4 5096 B12R0.234 C#CCCCCCOCCC(=C)C 34a_100000766912_100000730704 [0,1,0,0,0,0|1,0,2]=4 5097 B12R0.234 C#CCCCCCOCCC(=C)C 7a_100000766912_100000730704 [0,1,0,0,0,0|1,0,2]=4 5098 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,1,0,0,0,0|0,0,2]=3 5099 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,1,0,0,0,0|0,0,2]=3 5100 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,1,0,0,0,0|0,0,2]=3 5101 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 5102 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,1,0,0,0,0|1,0,2]=4 5103 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 5104 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,1,0,0,0,0|1,0,2]=4 5105 B12R0.234 C#CCCCCCOCOC(=O)C 34a_100000766912_100009813279 [0,1,0,0,0,0|1,0,2]=4 5106 B12R0.234 C#CCCCCCSCCC(=C)C 62a_100000730704_100012094781 [0,1,0,0,0,0|1,0,2]=4 5107 B12R0.234 C#CCCCCCSCCC(=C)C 62a_100012094781_100000730704 [0,1,0,0,0,0|1,0,2]=4 5108 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,1,0,0,0,0|0,0,2]=3 5109 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,1,0,0,0,0|0,0,2]=3 5110 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,1,0,0,0,0|1,0,2]=4 5111 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,1,0,0,0,0|1,0,2]=4 5112 B12R0.234 C#CCCCCCSCOC(=O)C 62a_100000076356_100012094781 [0,1,0,0,0,0|1,0,2]=4 5113 B12R0.234 C#CCCCCCSCOC(=O)C 62a_100012094781_100000076356 [0,1,0,0,0,0|1,0,2]=4 5114 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,1,0,0,0,0|0,0,2]=3 5115 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,1,0,0,0,0|1,0,2]=4 5116 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,1,0,0,0,0|1,0,2]=4 5117 B12R0.234 C#CCCCCNCCCS(=O)C 2230a_200000753449_100010269958 [0,1,0,0,0,0|1,0,2]=4 5118 B12R0.234 C#CCCCCNCCNC(=O)C 2230a_100000209853_100010269958 [0,1,0,0,0,0|1,0,2]=4 5119 B12R0.234 C#CCCCCNCCNC(=O)C 2230a_100000706060_100000189650 [0,1,0,0,0,0|1,0,2]=4 5120 B12R0.234 C#CCCCCNCCOC(=O)C 34a_100000706060_100009814007 [0,1,0,0,0,0|1,0,2]=4 5121 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,1,0,0,0,0|0,0,2]=3 5122 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,1,0,0,0,0|0,0,2]=3 5123 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,1,0,0,0,0|0,0,2]=3 5124 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,1,0,0,0,0|0,0,2]=3 5125 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 5126 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 5127 B12R0.234 C#CCCCCOCCNC(=O)C 34a_100000158858_100010269958 [0,1,0,0,0,0|1,0,2]=4 5128 B12R0.234 C#CCCCCOCCNC(=O)C 7a_100000766709_100000189650 [0,1,0,0,0,0|1,0,2]=4 5129 B12R0.234 C#CCCCCOCCOC(=O)C 34a_100000766709_100009814007 [0,1,0,0,0,0|1,0,2]=4 5130 B12R0.234 C#CCCCCOCCOC(=O)C 7a_100000766709_100009814007 [0,1,0,0,0,0|1,0,2]=4 5131 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,1,0,0,0,0|0,0,2]=3 5132 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,1,0,0,0,0|0,0,2]=3 5133 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,1,0,0,0,0|1,0,2]=4 5134 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,1,0,0,0,0|1,0,2]=4 5135 B12R0.234 C#CCCCCSCCNC(=O)C 62a_100000189650_100010269958 [0,1,0,0,0,0|1,0,2]=4 5136 B12R0.234 C#CCCCCSCCNC(=O)C 62a_100010269958_100000189650 [0,1,0,0,0,0|1,0,2]=4 5137 B12R0.234 C#CCCCCSCCOC(=O)C 62a_100009814007_100010269958 [0,1,0,0,0,0|1,0,2]=4 5138 B12R0.234 C#CCCCCSCCOC(=O)C 62a_100010269958_100009814007 [0,1,0,0,0,0|1,0,2]=4 5139 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,1,0,0,0,0|0,0,2]=3 5140 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,1,0,0,0,0|1,0,2]=4 5141 B12R0.234 C#CCCCNCCCNC(=O)C 34a_100000736810_100000695029 [0,1,0,0,0,0|1,0,2]=4 5142 B12R0.234 C#CCCCNCCCOC(=O)C 34a_100000718082_100000042594 [0,1,0,0,0,0|1,0,2]=4 5143 B12R0.234 C#CCCCNCCCSC(=O)C 34a_100000718082_100000038929 [0,1,0,0,0,0|1,0,2]=4 5144 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,1,0,0,0,0|0,0,2]=3 5145 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,1,0,0,0,0|0,0,2]=3 5146 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,1,0,0,0,0|1,0,2]=4 5147 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,1,0,0,0,0|1,0,2]=4 5148 B12R0.234 C#CCCCOCCCNC(=O)C 34a_100000752032_100000695029 [0,1,0,0,0,0|1,0,2]=4 5149 B12R0.234 C#CCCCOCCCOC(=O)C 34a_100000215630_100000042594 [0,1,0,0,0,0|1,0,2]=4 5150 B12R0.234 C#CCCCOCCCOC(=O)C 7a_100000215630_100000042594 [0,1,0,0,0,0|1,0,2]=4 5151 B12R0.234 C#CCCCOCCCSC(=O)C 34a_100000215630_100000038929 [0,1,0,0,0,0|1,0,2]=4 5152 B12R0.234 C#CCCCOCCCSC(=O)C 7a_100000215630_100000038929 [0,1,0,0,0,0|1,0,2]=4 5153 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,1,0,0,0,0|0,0,2]=3 5154 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,1,0,0,0,0|0,0,2]=3 5155 B12R0.234 C#CCCCSCCCOC(=O)C 62a_100000042594_100011215417 [0,1,0,0,0,0|1,0,2]=4 5156 B12R0.234 C#CCCCSCCCOC(=O)C 62a_100011215417_100000042594 [0,1,0,0,0,0|1,0,2]=4 5157 B12R0.234 C#CCCCSCCCSC(=O)C 62a_100000038929_100011215417 [0,1,0,0,0,0|1,0,2]=4 5158 B12R0.234 C#CCCCSCCCSC(=O)C 62a_100011215417_100000038929 [0,1,0,0,0,0|1,0,2]=4 5159 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,1,0,0,0,0|1,0,2]=4 5160 B12R0.234 C#CCCNCCCCNC(=O)C 2230a_200011368371_100000688953 [0,1,0,0,0,0|1,0,2]=4 5161 B12R0.234 C#CCCNCCCCNC(=O)C 34a_200011368371_100000688953 [0,1,0,0,0,0|1,0,2]=4 5162 B12R0.234 C#CCCNCCCCOC(=O)C 34a_100000755551_100000033659 [0,1,0,0,0,0|1,0,2]=4 5163 B12R0.234 C#CCCNCCCCSC(=O)C 34a_100000755551_200010402107 [0,1,0,0,0,0|1,0,2]=4 5164 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 5165 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,1,0,0,0,0|1,0,2]=4 5166 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 5167 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,1,0,0,0,0|1,0,2]=4 5168 B12R0.234 C#CCCOCCCCOC(=O)C 34a_100000073216_100000688953 [0,1,0,0,0,0|1,0,2]=4 5169 B12R0.234 C#CCCOCCCCOC(=O)C 34a_100011215631_100000033659 [0,1,0,0,0,0|1,0,2]=4 5170 B12R0.234 C#CCCOCCCCOC(=O)C 7a_100000073216_100000688953 [0,1,0,0,0,0|1,0,2]=4 5171 B12R0.234 C#CCCOCCCCSC(=O)C 34a_100011215631_200010402107 [0,1,0,0,0,0|1,0,2]=4 5172 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,1,0,0,0,0|1,0,2]=4 5173 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,1,0,0,0,0|1,0,2]=4 5174 B12R0.234 C#CCCSCCCCOC(=O)C 62a_100000033659_100000688953 [0,1,0,0,0,0|1,0,2]=4 5175 B12R0.234 C#CCCSCCCCOC(=O)C 62a_100000688953_100000033659 [0,1,0,0,0,0|1,0,2]=4 5176 B12R0.234 C#CCCSCCCCSC(=O)C 62a_100000688953_200010402107 [0,1,0,0,0,0|1,0,2]=4 5177 B12R0.234 C#CCCSCCCCSC(=O)C 62a_200010402107_100000688953 [0,1,0,0,0,0|1,0,2]=4 5178 B12R0.234 C#CCNCCCCCNC(=O)C 2230a_200012022750_100000038162 [0,1,0,0,0,0|1,0,2]=4 5179 B12R0.234 C#CCNCCCCCNC(=O)C 34a_200012022750_100000184674 [0,1,0,0,0,0|1,0,2]=4 5180 B12R0.234 C#CCNCCCCCOC(=O)C 34a_100000212058_100000033007 [0,1,0,0,0,0|1,0,2]=4 5181 B12R0.234 C#CCOCCCCCOC(=O)C 34a_100000210247_100000033007 [0,1,0,0,0,0|1,0,2]=4 5182 B12R0.234 C#CCOCCNCCCC(=O)C 34a_100000700922_100000685027 [0,1,0,0,0,0|1,0,2]=4 5183 B12R0.234 C#CCOCCOCCCC(=O)C 34a_100000054580_100000685027 [0,1,0,0,0,0|1,0,2]=4 5184 B12R0.234 C#CCOCCOCCCC(=O)C 34a_100000759063_100010402529 [0,1,0,0,0,0|1,0,2]=4 5185 B12R0.234 C#CCOCCOCCCC(=O)C 7a_100000054580_100011215641 [0,1,0,0,0,0|1,0,2]=4 5186 B12R0.234 C#CCOCCOCCCC(=O)C 7a_100000759063_100010402529 [0,1,0,0,0,0|1,0,2]=4 5187 B12R0.234 C#CCOCCSCCCC(=O)C 62a_100010402529_100011215641 [0,1,0,0,0,0|1,0,2]=4 5188 B12R0.234 C#CCOCCSCCCC(=O)C 62a_100011215641_100010402529 [0,1,0,0,0,0|1,0,2]=4 5189 B12R0.234 C#CCSCCCCCOC(=O)C 62a_100000038162_100000033007 [0,1,0,0,0,0|1,0,2]=4 5190 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,1,0,0,0,0|0,0,2]=3 5191 B12R0.234 C/C=C/CCOCCCOC(=O)C 34a_100016278192_100000042594 [0,1,0,0,0,0|1,0,2]=4 5192 B12R0.234 C/C=C/CCOCCCSC(=O)C 34a_100016278192_100000038929 [0,1,0,0,0,0|1,0,2]=4 5193 B12R0.234 C/C=C/CNCCCCNC(=O)C 34a_200011368371_100102629194 [0,1,0,0,0,0|1,0,2]=4 5194 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,1,0,0,0,0|1,0,2]=4 5195 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,1,0,0,0,0|1,0,2]=4 5196 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,1,0,0,0,0|1,0,2]=4 5197 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,1,0,0,0,0|1,0,2]=4 5198 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100000073216_100102629194 [0,1,0,0,0,0|1,0,2]=4 5199 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100016270725_100000033659 [0,1,0,0,0,0|1,0,2]=4 5200 B12R0.234 C/C=C/COCCCCOC(=O)C 7a_100000073216_100102629194 [0,1,0,0,0,0|1,0,2]=4 5201 B12R0.234 C/C=C/COCCCCSC(=O)C 34a_100016270725_200010402107 [0,1,0,0,0,0|1,0,2]=4 5202 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,1,0,0,0,0|1,0,2]=4 5203 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,1,0,0,0,0|1,0,2]=4 5204 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100000033659_100102629194 [0,1,0,0,0,0|1,0,2]=4 5205 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100102629194_100000033659 [0,1,0,0,0,0|1,0,2]=4 5206 B12R0.234 C/C=C/CSCCCCSC(=O)C 62a_100102629194_200010402107 [0,1,0,0,0,0|1,0,2]=4 5207 B12R0.234 C/C=C/CSCCCCSC(=O)C 62a_200010402107_100102629194 [0,1,0,0,0,0|1,0,2]=4 5208 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,1,0,0,0,0|1,0,1]=3 5209 B12R0.234 C=C(Br)CCOCCCCCCF 34a_100009813270_100015922095 [0,1,0,0,0,0|2,0,1]=4 5210 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,1,0,0,0,0|2,0,1]=4 5211 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,1,0,0,0,0|2,0,1]=4 5212 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,1,0,0,0,0|1,0,0]=2 5213 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,1,0,0,0,0|2,0,0]=3 5214 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,1,0,0,0,0|2,0,0]=3 5215 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,1,0,0,0,0|2,0,0]=3 5216 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,1,0,0,0,0|2,0,0]=3 5217 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,1,0,0,0,0|2,0,0]=3 5218 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,1,0,0,0,0|2,0,0]=3 5219 B12R0.234 C=C(C)CCNCCOCCOC 2230a_100000745349_100000730704 [0,1,0,0,0,0|3,0,0]=4 5220 B12R0.234 C=C(C)CCNCCOCCOC 34a_100000745349_100000730704 [0,1,0,0,0,0|3,0,0]=4 5221 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,1,0,0,0,0|2,0,0]=3 5222 B12R0.234 C=C(C)CCOC/C=C/CCCC 34a_200016272032_100000730704 [0,1,0,0,0,0|1,0,2]=4 5223 B12R0.234 C=C(C)CCOC/C=C/CCCC 7a_200016272032_100000730704 [0,1,0,0,0,0|1,0,2]=4 5224 B12R0.234 C=C(C)CCOCC#CCCCC 34a_200000034558_100000730704 [0,1,0,0,0,0|1,0,2]=4 5225 B12R0.234 C=C(C)CCOCC#CCCCC 7a_200000034558_100000730704 [0,1,0,0,0,0|1,0,2]=4 5226 B12R0.234 C=C(C)CCOCCC#CCCC 34a_100000042726_100000730704 [0,1,0,0,0,0|1,0,2]=4 5227 B12R0.234 C=C(C)CCOCCC#CCCC 7a_100000042726_100000730704 [0,1,0,0,0,0|1,0,2]=4 5228 B12R0.234 C=C(C)CCOCCC/C=C/CC 34a_100016287902_100000730704 [0,1,0,0,0,0|1,0,2]=4 5229 B12R0.234 C=C(C)CCOCCC/C=C/CC 7a_100016287902_100000730704 [0,1,0,0,0,0|1,0,2]=4 5230 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,1,0,0,0,0|2,0,0]=3 5231 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,1,0,0,0,0|2,0,0]=3 5232 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,0,0,0,0|1,0,0]=2 5233 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,0,0,0,0|1,0,0]=2 5234 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,0,0,0,0|1,0,0]=2 5235 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,1,0,0,0,0|2,0,0]=3 5236 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,1,0,0,0,0|2,0,0]=3 5237 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,1,0,0,0,0|2,0,0]=3 5238 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,1,0,0,0,0|2,0,0]=3 5239 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,1,0,0,0,0|2,0,0]=3 5240 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,1,0,0,0,0|2,0,0]=3 5241 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,1,0,0,0,0|2,0,0]=3 5242 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,1,0,0,0,0|2,0,0]=3 5243 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,1,0,0,0,0|2,0,0]=3 5244 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,1,0,0,0,0|2,0,0]=3 5245 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,1,0,0,0,0|2,0,0]=3 5246 B12R0.234 C=C(C)CCOCCOCCNC 34a_100000228057_100000730704 [0,1,0,0,0,0|3,0,0]=4 5247 B12R0.234 C=C(C)CCOCCOCCOC 34a_100000764851_100000695917 [0,1,0,0,0,0|3,0,0]=4 5248 B12R0.234 C=C(C)CCOCCOCCOC 34a_100011215163_100000730704 [0,1,0,0,0,0|3,0,0]=4 5249 B12R0.234 C=C(C)CCOCCOCCOC 7a_100011215163_100000730704 [0,1,0,0,0,0|3,0,0]=4 5250 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,1,0,0,0,0|2,0,0]=3 5251 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,1,0,0,0,0|2,0,0]=3 5252 B12R0.234 C=C(C)CCSCCCCCC#N 62a_100000730704_100009813376 [0,1,0,0,0,0|2,0,1]=4 5253 B12R0.234 C=C(C)CCSCCCCCC#N 62a_100009813376_100000730704 [0,1,0,0,0,0|2,0,1]=4 5254 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [0,1,0,0,0,0|2,0,1]=4 5255 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [0,1,0,0,0,0|2,0,1]=4 5256 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,1,0,0,0,0|1,0,0]=2 5257 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,1,0,0,0,0|1,0,0]=2 5258 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,1,0,0,0,0|2,0,0]=3 5259 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,1,0,0,0,0|2,0,0]=3 5260 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,1,0,0,0,0|2,0,0]=3 5261 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,1,0,0,0,0|2,0,0]=3 5262 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,1,0,0,0,0|2,0,0]=3 5263 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,1,0,0,0,0|2,0,0]=3 5264 B12R0.234 C=C(C)CCSCCOCCOC 62a_100000695917_100000730704 [0,1,0,0,0,0|3,0,0]=4 5265 B12R0.234 C=C(C)CCSCCOCCOC 62a_100000730704_100000695917 [0,1,0,0,0,0|3,0,0]=4 5266 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,1,0,0,0,0|1,0,0]=2 5267 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,1,0,0,0,0|1,0,0]=2 5268 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,1,0,0,0,0|2,0,0]=3 5269 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,1,0,0,0,0|2,0,0]=3 5270 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,1,0,0,0,0|2,0,0]=3 5271 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,1,0,0,0,0|2,0,0]=3 5272 B12R0.234 C=C(C)CNCCCOCCCO 2230a_100011310245_100000748629 [0,1,0,0,0,0|3,0,0]=4 5273 B12R0.234 C=C(C)CNCCCOCCCO 34a_100011310245_100000748629 [0,1,0,0,0,0|3,0,0]=4 5274 B12R0.234 C=C(C)CNCCCOCCOC 2230a_100000206027_100000748629 [0,1,0,0,0,0|3,0,0]=4 5275 B12R0.234 C=C(C)CNCCCOCCOC 34a_100000206027_100000748629 [0,1,0,0,0,0|3,0,0]=4 5276 B12R0.234 C=C(C)CNCCOCCOCC 2230a_100102712874_100000748629 [0,1,0,0,0,0|3,0,0]=4 5277 B12R0.234 C=C(C)CNCCOCCOCC 34a_100102712874_100000748629 [0,1,0,0,0,0|3,0,0]=4 5278 B12R0.234 C=C(C)COC/C=C/CCCCC 34a_100016258190_100000748629 [0,1,0,0,0,0|1,0,2]=4 5279 B12R0.234 C=C(C)COC/C=C/CCCCC 7a_100016258190_100000748629 [0,1,0,0,0,0|1,0,2]=4 5280 B12R0.234 C=C(C)COCC#CCCCCC 34a_100000210245_100009816472 [0,1,0,0,0,0|1,0,2]=4 5281 B12R0.234 C=C(C)COCC#CCCCCC 34a_200000033628_100000748629 [0,1,0,0,0,0|1,0,2]=4 5282 B12R0.234 C=C(C)COCC#CCCCCC 7a_200000033628_100000748629 [0,1,0,0,0,0|1,0,2]=4 5283 B12R0.234 C=C(C)COCC/C=C\CCCC 34a_200016286491_100000748629 [0,1,0,0,0,0|1,0,2]=4 5284 B12R0.234 C=C(C)COCC/C=C\CCCC 7a_200016286491_100000748629 [0,1,0,0,0,0|1,0,2]=4 5285 B12R0.234 C=C(C)COCCC#CCCCC 34a_100000037610_100000748629 [0,1,0,0,0,0|1,0,2]=4 5286 B12R0.234 C=C(C)COCCC#CCCCC 7a_100000037610_100000748629 [0,1,0,0,0,0|1,0,2]=4 5287 B12R0.234 C=C(C)COCCCC/C=C\CC 34a_100016287862_100000748629 [0,1,0,0,0,0|1,0,2]=4 5288 B12R0.234 C=C(C)COCCCC/C=C\CC 7a_100016287862_100000748629 [0,1,0,0,0,0|1,0,2]=4 5289 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,1,0,0,0,0|2,0,0]=3 5290 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,1,0,0,0,0|2,0,0]=3 5291 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,0,0,0,0|1,0,0]=2 5292 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,0,0,0,0|1,0,0]=2 5293 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,0,0,0,0|1,0,0]=2 5294 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,1,0,0,0,0|2,0,0]=3 5295 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,1,0,0,0,0|2,0,0]=3 5296 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,1,0,0,0,0|2,0,0]=3 5297 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,1,0,0,0,0|2,0,0]=3 5298 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,1,0,0,0,0|2,0,0]=3 5299 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,1,0,0,0,0|2,0,0]=3 5300 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,1,0,0,0,0|2,0,0]=3 5301 B12R0.234 C=C(C)COCCCOCCCN 34a_100011310245_100000748629 [0,1,0,0,0,0|3,0,0]=4 5302 B12R0.234 C=C(C)COCCCOCCOC 34a_100000210245_100011216529 [0,1,0,0,0,0|3,0,0]=4 5303 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,1,0,0,0,0|2,0,0]=3 5304 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,1,0,0,0,0|2,0,0]=3 5305 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,1,0,0,0,0|2,0,0]=3 5306 B12R0.234 C=C(C)COCCOCCOCC 34a_100000210240_100000748629 [0,1,0,0,0,0|3,0,0]=4 5307 B12R0.234 C=C(C)COCCOCCOCC 34a_100000210245_100011211534 [0,1,0,0,0,0|3,0,0]=4 5308 B12R0.234 C=C(C)COCCOCCOCC 7a_100000210240_100000748629 [0,1,0,0,0,0|3,0,0]=4 5309 B12R0.234 C=C(C)CSCC#CCCCCC 62a_100000748629_100009816472 [0,1,0,0,0,0|1,0,2]=4 5310 B12R0.234 C=C(C)CSCC#CCCCCC 62a_100009816472_100000211660 [0,1,0,0,0,0|1,0,2]=4 5311 B12R0.234 C=C(C)CSCCCCCCC#N 62a_100000748629_100009813337 [0,1,0,0,0,0|2,0,1]=4 5312 B12R0.234 C=C(C)CSCCCCCCC#N 62a_100009813337_100000211660 [0,1,0,0,0,0|2,0,1]=4 5313 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,1,0,0,0,0|1,0,0]=2 5314 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,1,0,0,0,0|1,0,0]=2 5315 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,1,0,0,0,0|2,0,0]=3 5316 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,1,0,0,0,0|2,0,0]=3 5317 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,1,0,0,0,0|2,0,0]=3 5318 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,1,0,0,0,0|2,0,0]=3 5319 B12R0.234 C=C(C)CSCCCOCCOC 62a_100000748629_100011216529 [0,1,0,0,0,0|3,0,0]=4 5320 B12R0.234 C=C(C)CSCCCOCCOC 62a_100011216529_100000211660 [0,1,0,0,0,0|3,0,0]=4 5321 B12R0.234 C=C(C)CSCCOCCOCC 62a_100000748629_100011211534 [0,1,0,0,0,0|3,0,0]=4 5322 B12R0.234 C=C(C)CSCCOCCOCC 62a_100011211534_100000211660 [0,1,0,0,0,0|3,0,0]=4 5323 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,1,0,0,0,0|1,0,1]=3 5324 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,1,0,0,0,0|1,0,1]=3 5325 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,1,0,0,0,0|2,0,1]=4 5326 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,1,0,0,0,0|2,0,1]=4 5327 B12R0.234 C=C(F)CNCCCOCCCC 2230a_200000211371_100009893438 [0,1,0,0,0,0|2,0,1]=4 5328 B12R0.234 C=C(F)CNCCCOCCCC 34a_200000211371_100009893438 [0,1,0,0,0,0|2,0,1]=4 5329 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,1,0,0,0,0|2,0,1]=4 5330 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,1,0,0,0,0|2,0,1]=4 5331 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,0,0,0,0|1,0,1]=3 5332 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,0,0,0,0|1,0,1]=3 5333 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,0,0,0,0|1,0,1]=3 5334 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,1,0,0,0,0|2,0,1]=4 5335 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,1,0,0,0,0|2,0,1]=4 5336 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,1,0,0,0,0|2,0,1]=4 5337 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,1,0,0,0,0|2,0,1]=4 5338 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,1,0,0,0,0|2,0,1]=4 5339 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,1,0,0,0,0|2,0,1]=4 5340 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,1,0,0,0,0|2,0,1]=4 5341 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,1,0,0,0,0|2,0,1]=4 5342 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,1,0,0,0,0|2,0,1]=4 5343 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,1,0,0,0,0|2,0,1]=4 5344 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,1,0,0,0,0|1,0,1]=3 5345 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,1,0,0,0,0|1,0,1]=3 5346 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,1,0,0,0,0|2,0,1]=4 5347 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,1,0,0,0,0|2,0,1]=4 5348 B12R0.234 C=C(F)CSCCCCCCOC 62a_100000042424_100011998445 [0,1,0,0,0,0|2,0,1]=4 5349 B12R0.234 C=C(F)CSCCCCCCOC 62a_100011998445_100000042424 [0,1,0,0,0,0|2,0,1]=4 5350 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,0,0,0,0|0,0,1]=2 5351 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,0,0,0,0|0,0,1]=2 5352 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,0,0,0,0|0,0,1]=2 5353 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,1,0,0,0,0|2,0,1]=4 5354 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,1,0,0,0,0|2,0,1]=4 5355 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,1,0,0,0,0|1,0,2]=4 5356 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,1,0,0,0,0|1,0,2]=4 5357 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,1,0,0,0,0|1,0,2]=4 5358 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,1,0,0,0,0|1,0,2]=4 5359 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,1,0,0,0,0|1,0,2]=4 5360 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,1,0,0,0,0|0,0,2]=3 5361 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 5362 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 5363 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,1,0,0,0,0|1,0,2]=4 5364 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100000748629_100011215473 [0,1,0,0,0,0|1,0,2]=4 5365 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100011215473_100000211660 [0,1,0,0,0,0|1,0,2]=4 5366 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,1,0,0,0,0|1,0,2]=4 5367 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,1,0,0,0,0|1,0,2]=4 5368 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,1,0,0,0,0|1,0,2]=4 5369 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,1,0,0,0,0|1,0,2]=4 5370 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [0,1,0,0,0,0|1,0,2]=4 5371 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [0,1,0,0,0,0|1,0,2]=4 5372 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [0,1,0,0,0,0|1,0,2]=4 5373 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,1,0,0,0,0|0,0,2]=3 5374 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,1,0,0,0,0|0,0,2]=3 5375 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,1,0,0,0,0|0,0,2]=3 5376 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,1,0,0,0,0|1,0,2]=4 5377 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,1,0,0,0,0|1,0,2]=4 5378 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,1,0,0,0,0|1,0,2]=4 5379 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,1,0,0,0,0|1,0,2]=4 5380 B12R0.234 C=CCCCCCOCOC(=O)C 34a_100011216702_100009813279 [0,1,0,0,0,0|1,0,2]=4 5381 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000700193_100000730704 [0,1,0,0,0,0|1,0,2]=4 5382 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000730704_100000700193 [0,1,0,0,0,0|1,0,2]=4 5383 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,1,0,0,0,0|0,0,2]=3 5384 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,1,0,0,0,0|0,0,2]=3 5385 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,1,0,0,0,0|1,0,2]=4 5386 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,1,0,0,0,0|1,0,2]=4 5387 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000076356_100000700193 [0,1,0,0,0,0|1,0,2]=4 5388 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000700193_100000076356 [0,1,0,0,0,0|1,0,2]=4 5389 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,1,0,0,0,0|0,0,2]=3 5390 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,1,0,0,0,0|1,0,2]=4 5391 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,1,0,0,0,0|1,0,2]=4 5392 B12R0.234 C=CCCCCNCCCS(=O)C 2230a_200000753449_100011215482 [0,1,0,0,0,0|1,0,2]=4 5393 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000209853_100011215482 [0,1,0,0,0,0|1,0,2]=4 5394 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000703577_100000189650 [0,1,0,0,0,0|1,0,2]=4 5395 B12R0.234 C=CCCCCNCCOC(=O)C 34a_100000703577_100009814007 [0,1,0,0,0,0|1,0,2]=4 5396 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,1,0,0,0,0|0,0,2]=3 5397 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,1,0,0,0,0|0,0,2]=3 5398 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,1,0,0,0,0|0,0,2]=3 5399 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,1,0,0,0,0|0,0,2]=3 5400 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,1,0,0,0,0|1,0,2]=4 5401 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,1,0,0,0,0|1,0,2]=4 5402 B12R0.234 C=CCCCCOCCNC(=O)C 34a_100000158858_100011215482 [0,1,0,0,0,0|1,0,2]=4 5403 B12R0.234 C=CCCCCOCCNC(=O)C 7a_100000766645_100000189650 [0,1,0,0,0,0|1,0,2]=4 5404 B12R0.234 C=CCCCCOCCOC(=O)C 34a_100000766645_100009814007 [0,1,0,0,0,0|1,0,2]=4 5405 B12R0.234 C=CCCCCOCCOC(=O)C 7a_100000766645_100009814007 [0,1,0,0,0,0|1,0,2]=4 5406 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,1,0,0,0,0|0,0,2]=3 5407 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,1,0,0,0,0|0,0,2]=3 5408 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,1,0,0,0,0|1,0,2]=4 5409 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,1,0,0,0,0|1,0,2]=4 5410 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100000189650_100011215482 [0,1,0,0,0,0|1,0,2]=4 5411 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100011215482_100000189650 [0,1,0,0,0,0|1,0,2]=4 5412 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100009814007_100011215482 [0,1,0,0,0,0|1,0,2]=4 5413 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100011215482_100009814007 [0,1,0,0,0,0|1,0,2]=4 5414 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,1,0,0,0,0|0,0,2]=3 5415 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,1,0,0,0,0|1,0,2]=4 5416 B12R0.234 C=CCCCNCCCNC(=O)C 34a_100000736810_100000757094 [0,1,0,0,0,0|1,0,2]=4 5417 B12R0.234 C=CCCCNCCCOC(=O)C 34a_100000700776_100000042594 [0,1,0,0,0,0|1,0,2]=4 5418 B12R0.234 C=CCCCNCCCSC(=O)C 2230a_100000700776_100000038929 [0,1,0,0,0,0|1,0,2]=4 5419 B12R0.234 C=CCCCNCCCSC(=O)C 34a_100000700776_100000038929 [0,1,0,0,0,0|1,0,2]=4 5420 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,1,0,0,0,0|0,0,2]=3 5421 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,1,0,0,0,0|0,0,2]=3 5422 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,1,0,0,0,0|1,0,2]=4 5423 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,1,0,0,0,0|1,0,2]=4 5424 B12R0.234 C=CCCCOCCCNC(=O)C 34a_100000752032_100000757094 [0,1,0,0,0,0|1,0,2]=4 5425 B12R0.234 C=CCCCOCCCOC(=O)C 34a_100000758997_100000042594 [0,1,0,0,0,0|1,0,2]=4 5426 B12R0.234 C=CCCCOCCCOC(=O)C 7a_100000758997_100000042594 [0,1,0,0,0,0|1,0,2]=4 5427 B12R0.234 C=CCCCOCCCSC(=O)C 34a_100000758997_100000038929 [0,1,0,0,0,0|1,0,2]=4 5428 B12R0.234 C=CCCCOCCCSC(=O)C 7a_100000758997_100000038929 [0,1,0,0,0,0|1,0,2]=4 5429 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,1,0,0,0,0|0,0,2]=3 5430 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,1,0,0,0,0|0,0,2]=3 5431 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100000042594_100000757094 [0,1,0,0,0,0|1,0,2]=4 5432 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100011713584_100000042594 [0,1,0,0,0,0|1,0,2]=4 5433 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100000038929_100000757094 [0,1,0,0,0,0|1,0,2]=4 5434 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100011713584_100000038929 [0,1,0,0,0,0|1,0,2]=4 5435 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,1,0,0,0,0|1,0,2]=4 5436 B12R0.234 C=CCCNCCCCNC(=O)C 2230a_200011368371_100000754431 [0,1,0,0,0,0|1,0,2]=4 5437 B12R0.234 C=CCCNCCCCNC(=O)C 34a_200011368371_100000754431 [0,1,0,0,0,0|1,0,2]=4 5438 B12R0.234 C=CCCNCCCCSC(=O)C 2230a_100015191253_200010402107 [0,1,0,0,0,0|1,0,2]=4 5439 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,1,0,0,0,0|1,0,2]=4 5440 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,1,0,0,0,0|1,0,2]=4 5441 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,1,0,0,0,0|1,0,2]=4 5442 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,1,0,0,0,0|1,0,2]=4 5443 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100000073216_100000754431 [0,1,0,0,0,0|1,0,2]=4 5444 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100011205117_100000033659 [0,1,0,0,0,0|1,0,2]=4 5445 B12R0.234 C=CCCOCCCCOC(=O)C 7a_100000073216_100000754431 [0,1,0,0,0,0|1,0,2]=4 5446 B12R0.234 C=CCCOCCCCSC(=O)C 34a_100011205117_200010402107 [0,1,0,0,0,0|1,0,2]=4 5447 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,1,0,0,0,0|1,0,2]=4 5448 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,1,0,0,0,0|1,0,2]=4 5449 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000033659_100000754431 [0,1,0,0,0,0|1,0,2]=4 5450 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000754431_100000033659 [0,1,0,0,0,0|1,0,2]=4 5451 B12R0.234 C=CCCSCCCCSC(=O)C 62a_100000754431_200010402107 [0,1,0,0,0,0|1,0,2]=4 5452 B12R0.234 C=CCCSCCCCSC(=O)C 62a_200010402107_100000754431 [0,1,0,0,0,0|1,0,2]=4 5453 B12R0.234 C=CCNCCCCCNC(=O)C 2230a_200012022750_100000210623 [0,1,0,0,0,0|1,0,2]=4 5454 B12R0.234 C=CCNCCCCCNC(=O)C 34a_200012022750_100015514636 [0,1,0,0,0,0|1,0,2]=4 5455 B12R0.234 C=CCNCCCCCOC(=O)C 2230a_100020586998_100009813381 [0,1,0,0,0,0|1,0,2]=4 5456 B12R0.234 C=CCOCCCCCOC(=O)C 34a_200000210373_100000033007 [0,1,0,0,0,0|1,0,2]=4 5457 B12R0.234 C=CCOCCOCCCC(=O)C 34a_100000037705_100000685027 [0,1,0,0,0,0|1,0,2]=4 5458 B12R0.234 C=CCOCCOCCCC(=O)C 7a_100000037705_100011215641 [0,1,0,0,0,0|1,0,2]=4 5459 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000033007_100000210623 [0,1,0,0,0,0|1,0,2]=4 5460 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000210623_100000033007 [0,1,0,0,0,0|1,0,2]=4 5461 B12R0.234 C=COCCCCOCCC(=O)C 7a_100000031558_100000053229 [0,1,0,0,0,0|1,0,2]=4 5462 B12R0.234 C=COCCCNCCCC(=O)C 34a_100000210767_100000685027 [0,1,0,0,0,0|1,0,2]=4 5463 B12R0.234 C=COCCOCCCCC(=O)C 34a_100000033082_100009817362 [0,1,0,0,0,0|1,0,2]=4 5464 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000039644_100000735457 [0,1,0,0,0,0|1,0,2]=4 5465 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000735457_100000039644 [0,1,0,0,0,0|1,0,2]=4 5466 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,1,0,0,0,0|0,0,1]=2 5467 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,1,0,0,0,0|0,0,1]=2 5468 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,1,0,0,0,0|0,0,2]=3 5469 B12R0.234 CC#CCCOCCCOC(=O)C 34a_100000750427_100000042594 [0,1,0,0,0,0|1,0,2]=4 5470 B12R0.234 CC#CCCOCCCSC(=O)C 34a_100000750427_100000038929 [0,1,0,0,0,0|1,0,2]=4 5471 B12R0.234 CC#CCNCCCCCC(=O)N 2230a_100000685387_100009817443 [0,1,0,0,0,0|1,0,2]=4 5472 B12R0.234 CC#CCNCCCCCC(=O)N 34a_100000685387_100009817443 [0,1,0,0,0,0|1,0,2]=4 5473 B12R0.234 CC#CCNCCCCNC(=O)C 2230a_200011368371_100000748600 [0,1,0,0,0,0|1,0,2]=4 5474 B12R0.234 CC#CCNCCCCNC(=O)C 34a_200011368371_100000748600 [0,1,0,0,0,0|1,0,2]=4 5475 B12R0.234 CC#CCNCCCCOC(=O)C 34a_100000685387_100000033659 [0,1,0,0,0,0|1,0,2]=4 5476 B12R0.234 CC#CCNCCCCSC(=O)C 2230a_100000685387_200010402107 [0,1,0,0,0,0|1,0,2]=4 5477 B12R0.234 CC#CCNCCCCSC(=O)C 34a_100000685387_200010402107 [0,1,0,0,0,0|1,0,2]=4 5478 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000123541_100000748600 [0,1,0,0,0,0|1,0,2]=4 5479 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000761923_100009817443 [0,1,0,0,0,0|1,0,2]=4 5480 B12R0.234 CC#CCOCCCCCC(=O)N 7a_100000123541_100000748600 [0,1,0,0,0,0|1,0,2]=4 5481 B12R0.234 CC#CCOCCCCCC(=O)[O-] 7a_100102619762_100000748600 [0,1,0,0,0,0|1,0,2]=4 5482 B12R0.234 CC#CCOCCCCOC(=O)C 34a_100000073216_100000748600 [0,1,0,0,0,0|1,0,2]=4 5483 B12R0.234 CC#CCOCCCCOC(=O)C 34a_100000761923_100000033659 [0,1,0,0,0,0|1,0,2]=4 5484 B12R0.234 CC#CCOCCCCOC(=O)C 7a_100000073216_100000748600 [0,1,0,0,0,0|1,0,2]=4 5485 B12R0.234 CC#CCOCCCCSC(=O)C 34a_100000761923_200010402107 [0,1,0,0,0,0|1,0,2]=4 5486 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100000748600_100009817443 [0,1,0,0,0,0|1,0,2]=4 5487 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100009817443_100000748600 [0,1,0,0,0,0|1,0,2]=4 5488 B12R0.234 CC#CCSCCCCOC(=O)C 62a_100000033659_100000748600 [0,1,0,0,0,0|1,0,2]=4 5489 B12R0.234 CC#CCSCCCCOC(=O)C 62a_100000748600_100000033659 [0,1,0,0,0,0|1,0,2]=4 5490 B12R0.234 CC#CCSCCCCSC(=O)C 62a_100000748600_200010402107 [0,1,0,0,0,0|1,0,2]=4 5491 B12R0.234 CC#CCSCCCCSC(=O)C 62a_200010402107_100000748600 [0,1,0,0,0,0|1,0,2]=4 5492 B12R0.234 CC(=CCCNCCCCCO)C 2230a_100000762737_100011217483 [0,1,0,0,0,0|2,0,1]=4 5493 B12R0.234 CC(=CCCNCCCCCO)C 34a_100000762737_100011217483 [0,1,0,0,0,0|2,0,1]=4 5494 B12R0.234 CC(=CCCOCCCCCBr)C 34a_100000746331_100011217483 [0,1,0,0,0,0|2,0,1]=4 5495 B12R0.234 CC(=CCCOCCCCCBr)C 7a_100000746331_100011217483 [0,1,0,0,0,0|2,0,1]=4 5496 B12R0.234 CC(=CCCOCCCCCCl)C 34a_100000746330_100011217483 [0,1,0,0,0,0|2,0,1]=4 5497 B12R0.234 CC(=CCCOCCCCCCl)C 7a_100000746330_100011217483 [0,1,0,0,0,0|2,0,1]=4 5498 B12R0.234 CC(=CCCOCCCCCI)C 34a_200012148887_100011217483 [0,1,0,0,0,0|2,0,1]=4 5499 B12R0.234 CC(=CCCOCCCCCI)C 7a_200012148887_100011217483 [0,1,0,0,0,0|2,0,1]=4 5500 B12R0.234 CC(=CCCOCCCCCN)C 34a_100000762737_100011217483 [0,1,0,0,0,0|2,0,1]=4 5501 B12R0.234 CC(=CCCSCCCCCF)C 62a_100000729378_100011217483 [0,1,0,0,0,0|2,0,1]=4 5502 B12R0.234 CC(=CCCSCCCCCF)C 62a_100011217483_100000729378 [0,1,0,0,0,0|2,0,1]=4 5503 B12R0.234 CC(=CCCSCCCCCO)C 62a_100000746330_100011217483 [0,1,0,0,0,0|2,0,1]=4 5504 B12R0.234 CC(=CCCSCCCCCO)C 62a_100011217483_100000746330 [0,1,0,0,0,0|2,0,1]=4 5505 B12R0.234 CC(=CCNCCCCCCF)C 34a_100000718196_100015922095 [0,1,0,0,0,0|2,0,1]=4 5506 B12R0.234 CC(=CCNCCCCCCO)C 2230a_100000686447_100000761012 [0,1,0,0,0,0|2,0,1]=4 5507 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000686447_100000761012 [0,1,0,0,0,0|2,0,1]=4 5508 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000718196_100000766143 [0,1,0,0,0,0|2,0,1]=4 5509 B12R0.234 CC(=CCOCCCCCCBr)C 34a_100011215345_100000761012 [0,1,0,0,0,0|2,0,1]=4 5510 B12R0.234 CC(=CCOCCCCCCBr)C 7a_100011215345_100000761012 [0,1,0,0,0,0|2,0,1]=4 5511 B12R0.234 CC(=CCOCCCCCCCl)C 34a_100000766143_100000761012 [0,1,0,0,0,0|2,0,1]=4 5512 B12R0.234 CC(=CCOCCCCCCCl)C 7a_100000766143_100000761012 [0,1,0,0,0,0|2,0,1]=4 5513 B12R0.234 CC(=CCOCCCCCCF)C 34a_100000732779_100000761012 [0,1,0,0,0,0|2,0,1]=4 5514 B12R0.234 CC(=CCOCCCCCCF)C 34a_100000753907_100015922095 [0,1,0,0,0,0|2,0,1]=4 5515 B12R0.234 CC(=CCOCCCCCCF)C 7a_100000732779_100000761012 [0,1,0,0,0,0|2,0,1]=4 5516 B12R0.234 CC(=CCOCCCCCCN)C 34a_100000686447_100000761012 [0,1,0,0,0,0|2,0,1]=4 5517 B12R0.234 CC(=CCOCCCCCCO)C 34a_100000753907_100000766143 [0,1,0,0,0,0|2,0,1]=4 5518 B12R0.234 CC(=CCSCCCCCCF)C 62a_100000761012_100015922095 [0,1,0,0,0,0|2,0,1]=4 5519 B12R0.234 CC(=CCSCCCCCCF)C 62a_100015922095_100000761012 [0,1,0,0,0,0|2,0,1]=4 5520 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000761012_100000766143 [0,1,0,0,0,0|2,0,1]=4 5521 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000766143_100000761012 [0,1,0,0,0,0|2,0,1]=4 5522 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|0,0,0]=1 5523 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|0,0,0]=1 5524 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,0,0,0,0|1,0,0]=2 5525 B12R0.234 CC(=O)CCCCOCC#CCCl 34a_200000047223_100009817362 [0,1,0,0,0,0|1,0,2]=4 5526 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,0,0,0,0|1,0,0]=2 5527 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,0,0,0,0|1,0,0]=2 5528 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,0,0,0,0|1,0,0]=2 5529 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,0,0,0,0|1,0,0]=2 5530 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,0,0,0,0|1,0,0]=2 5531 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,0,0,0,0|1,0,0]=2 5532 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,0,0,0,0|1,0,0]=2 5533 B12R0.234 CC(=O)CCCCSCC#CCO 62a_100000735457_200000047223 [0,1,0,0,0,0|1,0,2]=4 5534 B12R0.234 CC(=O)CCCCSCC#CCO 62a_200000047223_100000735457 [0,1,0,0,0,0|1,0,2]=4 5535 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,1,0,0,0,0|1,0,1]=3 5536 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,1,0,0,0,0|1,0,1]=3 5537 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,1,0,0,0,0|1,0,1]=3 5538 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,1,0,0,0,0|1,0,1]=3 5539 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,0,0,0,0|1,0,0]=2 5540 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,0,0,0,0|1,0,0]=2 5541 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,0,0,0,0|1,0,0]=2 5542 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,0,0,0,0|1,0,0]=2 5543 B12R0.234 CC(=O)CCCCSCCSC#N 62a_100000034367_100000735457 [0,1,0,0,0,0|2,0,1]=4 5544 B12R0.234 CC(=O)CCCCSCCSC#N 62a_100000735457_100000034367 [0,1,0,0,0,0|2,0,1]=4 5545 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|1,0,0]=2 5546 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,1,0,0,0,0|2,0,0]=3 5547 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,1,0,0,0,0|1,0,1]=3 5548 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,1,0,0,0,0|1,0,1]=3 5549 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|1,0,0]=2 5550 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|1,0,0]=2 5551 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|1,0,0]=2 5552 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|1,0,0]=2 5553 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|1,0,0]=2 5554 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|1,0,0]=2 5555 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|1,0,0]=2 5556 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|1,0,0]=2 5557 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|1,0,0]=2 5558 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|1,0,0]=2 5559 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|1,0,0]=2 5560 B12R0.234 CC(=O)CCCOCCOCC#N 7a_100000759063_200000047693 [0,1,0,0,0,0|2,0,1]=4 5561 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,1,0,0,0,0|2,0,0]=3 5562 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,1,0,0,0,0|2,0,0]=3 5563 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,1,0,0,0,0|2,0,0]=3 5564 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,1,0,0,0,0|2,0,0]=3 5565 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,1,0,0,0,0|2,0,0]=3 5566 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,1,0,0,0,0|2,0,0]=3 5567 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,1,0,0,0,0|2,0,0]=3 5568 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,1,0,0,0,0|2,0,0]=3 5569 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,1,0,0,0,0|2,0,0]=3 5570 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,1,0,0,0,0|2,0,0]=3 5571 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,1,0,0,0,0|2,0,0]=3 5572 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,1,0,0,0,0|1,0,1]=3 5573 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,1,0,0,0,0|1,0,1]=3 5574 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,1,0,0,0,0|1,0,1]=3 5575 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,1,0,0,0,0|1,0,1]=3 5576 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|1,0,0]=2 5577 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|1,0,0]=2 5578 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|1,0,0]=2 5579 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|1,0,0]=2 5580 B12R0.234 CC(=O)CCCSCCOCC#N 62a_100011215641_200000047693 [0,1,0,0,0,0|2,0,1]=4 5581 B12R0.234 CC(=O)CCCSCCOCC#N 62a_200000047693_100011215641 [0,1,0,0,0,0|2,0,1]=4 5582 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,1,0,0,0,0|2,0,0]=3 5583 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,1,0,0,0,0|2,0,0]=3 5584 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,1,0,0,0,0|1,0,1]=3 5585 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,1,0,0,0,0|1,0,1]=3 5586 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|1,0,0]=2 5587 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|1,0,0]=2 5588 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|1,0,0]=2 5589 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|1,0,0]=2 5590 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|1,0,0]=2 5591 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|1,0,0]=2 5592 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|1,0,0]=2 5593 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,1,0,0,0,0|1,0,1]=3 5594 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,1,0,0,0,0|1,0,1]=3 5595 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,1,0,0,0,0|1,0,1]=3 5596 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,1,0,0,0,0|1,0,1]=3 5597 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|1,0,0]=2 5598 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|1,0,0]=2 5599 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|1,0,0]=2 5600 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|1,0,0]=2 5601 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|1,0,0]=2 5602 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|1,0,0]=2 5603 B12R0.234 CC(=O)NCCCCCCN=[N+]=[N-] 240690a_200000049180_100015343762 [0,1,0,0,0,0|3,0,0]=4 5604 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,1,0,0,0,0|2,0,0]=3 5605 B12R0.234 CC(=O)NCCCCCNCC#N 2230a_200012022750_100011215382 [0,1,0,0,0,0|2,0,1]=4 5606 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [0,1,0,0,0,0|2,0,1]=4 5607 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [0,1,0,0,0,0|2,0,1]=4 5608 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,1,0,0,0,0|2,0,0]=3 5609 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,1,0,0,0,0|2,0,0]=3 5610 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,1,0,0,0,0|2,0,0]=3 5611 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,1,0,0,0,0|2,0,0]=3 5612 B12R0.234 CC(=O)NCCCCNCCC#N 2230a_200011368371_100011215226 [0,1,0,0,0,0|2,0,1]=4 5613 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,1,0,0,0,0|2,0,0]=3 5614 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,1,0,0,0,0|2,0,0]=3 5615 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,1,0,0,0,0|2,0,0]=3 5616 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,1,0,0,0,0|2,0,0]=3 5617 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,1,0,0,0,0|2,0,0]=3 5618 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,1,0,0,0,0|2,0,0]=3 5619 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,1,0,0,0,0|2,0,0]=3 5620 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,1,0,0,0,0|2,0,0]=3 5621 B12R0.234 CC(=O)NCCNCCCCC#N 2230a_100000209853_100000211819 [0,1,0,0,0,0|2,0,1]=4 5622 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [0,1,0,0,0,0|2,0,1]=4 5623 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,1,0,0,0,0|2,0,0]=3 5624 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,1,0,0,0,0|2,0,0]=3 5625 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,1,0,0,0,0|2,0,0]=3 5626 B12R0.234 CC(=O)NCCNCCOCCO 2230a_100000209853_100011215305 [0,1,0,0,0,0|3,0,0]=4 5627 B12R0.234 CC(=O)NCCNCCOCCO 2230a_100000211614_100000189650 [0,1,0,0,0,0|3,0,0]=4 5628 B12R0.234 CC(=O)NCCNCCSCCO 2230a_100011219999_100000189650 [0,1,0,0,0,0|3,0,0]=4 5629 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,1,0,0,0,0|2,0,0]=3 5630 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,1,0,0,0,0|2,0,0]=3 5631 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,1,0,0,0,0|2,0,0]=3 5632 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,1,0,0,0,0|2,0,0]=3 5633 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,1,0,0,0,0|2,0,0]=3 5634 B12R0.234 CC(=O)NCCOCCOCCBr 7a_100000692535_100000189650 [0,1,0,0,0,0|3,0,0]=4 5635 B12R0.234 CC(=O)NCCOCCOCCCl 7a_100011215305_100000189650 [0,1,0,0,0,0|3,0,0]=4 5636 B12R0.234 CC(=O)NCCOCCOCCF 7a_200015357709_100000189650 [0,1,0,0,0,0|3,0,0]=4 5637 B12R0.234 CC(=O)NCCOCCOCCI 7a_100012149058_100000189650 [0,1,0,0,0,0|3,0,0]=4 5638 B12R0.234 CC(=O)NCCOCCOCCO 240690a_100011998139_100015343762 [0,1,0,0,0,0|3,0,0]=4 5639 B12R0.234 CC(=O)NCCOCCOCCO 34a_100000158858_100000692535 [0,1,0,0,0,0|3,0,0]=4 5640 B12R0.234 CC(=O)NCCSCCCCC#N 62a_100000189650_100000211819 [0,1,0,0,0,0|2,0,1]=4 5641 B12R0.234 CC(=O)NCCSCCCCC#N 62a_100011219923_100000189650 [0,1,0,0,0,0|2,0,1]=4 5642 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [0,1,0,0,0,0|2,0,1]=4 5643 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [0,1,0,0,0,0|2,0,1]=4 5644 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,1,0,0,0,0|2,0,0]=3 5645 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,1,0,0,0,0|2,0,0]=3 5646 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,1,0,0,0,0|2,0,0]=3 5647 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,1,0,0,0,0|2,0,0]=3 5648 B12R0.234 CC(=O)NCCSCCOCCO 62a_100000189650_100011215305 [0,1,0,0,0,0|3,0,0]=4 5649 B12R0.234 CC(=O)NCCSCCOCCO 62a_100011215305_100000189650 [0,1,0,0,0,0|3,0,0]=4 5650 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,1,0,0,0,0|2,0,0]=3 5651 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,1,0,0,0,0|2,0,0]=3 5652 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,1,0,0,0,0|2,0,0]=3 5653 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,1,0,0,0,0|2,0,0]=3 5654 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,1,0,0,0,0|2,0,0]=3 5655 B12R0.234 CC(=O)OCCCCCSCC#N 62a_100000033007_100011215382 [0,1,0,0,0,0|2,0,1]=4 5656 B12R0.234 CC(=O)OCCCCCSCC#N 62a_100011215382_100000033007 [0,1,0,0,0,0|2,0,1]=4 5657 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [0,1,0,0,0,0|2,0,1]=4 5658 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [0,1,0,0,0,0|2,0,1]=4 5659 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,1,0,0,0,0|2,0,0]=3 5660 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,1,0,0,0,0|2,0,0]=3 5661 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,1,0,0,0,0|2,0,0]=3 5662 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,1,0,0,0,0|2,0,0]=3 5663 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,1,0,0,0,0|2,0,0]=3 5664 B12R0.234 CC(=O)OCCCCOCCC#N 7a_100000073216_100000184422 [0,1,0,0,0,0|2,0,1]=4 5665 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,1,0,0,0,0|2,0,0]=3 5666 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,1,0,0,0,0|2,0,0]=3 5667 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,1,0,0,0,0|2,0,0]=3 5668 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,1,0,0,0,0|2,0,0]=3 5669 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,1,0,0,0,0|2,0,0]=3 5670 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,1,0,0,0,0|2,0,0]=3 5671 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,1,0,0,0,0|2,0,0]=3 5672 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,1,0,0,0,0|2,0,0]=3 5673 B12R0.234 CC(=O)OCCCCOCCON 34a_100000700252_100000033659 [0,1,0,0,0,0|3,0,0]=4 5674 B12R0.234 CC(=O)OCCCCSCCC#N 62a_100000033659_100011215226 [0,1,0,0,0,0|2,0,1]=4 5675 B12R0.234 CC(=O)OCCCCSCCC#N 62a_100011215226_100000033659 [0,1,0,0,0,0|2,0,1]=4 5676 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,1,0,0,0,0|2,0,0]=3 5677 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,1,0,0,0,0|2,0,0]=3 5678 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,1,0,0,0,0|2,0,0]=3 5679 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,1,0,0,0,0|2,0,0]=3 5680 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,1,0,0,0,0|2,0,0]=3 5681 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,1,0,0,0,0|2,0,0]=3 5682 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,1,0,0,0,0|2,0,0]=3 5683 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,1,0,0,0,0|2,0,0]=3 5684 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,1,0,0,0,0|2,0,0]=3 5685 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,1,0,0,0,0|2,0,0]=3 5686 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,1,0,0,0,0|2,0,0]=3 5687 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,1,0,0,0,0|2,0,0]=3 5688 B12R0.234 CC(=O)OCCCSCCCC#N 62a_100000042594_100000687738 [0,1,0,0,0,0|2,0,1]=4 5689 B12R0.234 CC(=O)OCCCSCCCC#N 62a_100000687738_100000042594 [0,1,0,0,0,0|2,0,1]=4 5690 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [0,1,0,0,0,0|2,0,1]=4 5691 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [0,1,0,0,0,0|2,0,1]=4 5692 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,1,0,0,0,0|2,0,0]=3 5693 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,1,0,0,0,0|2,0,0]=3 5694 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,1,0,0,0,0|2,0,0]=3 5695 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,1,0,0,0,0|2,0,0]=3 5696 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,1,0,0,0,0|2,0,0]=3 5697 B12R0.234 CC(=O)OCCNCCOCCO 34a_100000211614_100009814007 [0,1,0,0,0,0|3,0,0]=4 5698 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,1,0,0,0,0|2,0,0]=3 5699 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,1,0,0,0,0|2,0,0]=3 5700 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,1,0,0,0,0|2,0,0]=3 5701 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,1,0,0,0,0|2,0,0]=3 5702 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,1,0,0,0,0|2,0,0]=3 5703 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,1,0,0,0,0|2,0,0]=3 5704 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,1,0,0,0,0|2,0,0]=3 5705 B12R0.234 CC(=O)OCCOCCNCCF 34a_100000724931_200000083610 [0,1,0,0,0,0|3,0,0]=4 5706 B12R0.234 CC(=O)OCCOCCNCCO 2230a_100016997473_200000083610 [0,1,0,0,0,0|3,0,0]=4 5707 B12R0.234 CC(=O)OCCOCCNCCO 34a_100016990907_200000083610 [0,1,0,0,0,0|3,0,0]=4 5708 B12R0.234 CC(=O)OCCOCCOCCBr 34a_100000211926_200000083610 [0,1,0,0,0,0|3,0,0]=4 5709 B12R0.234 CC(=O)OCCOCCOCCBr 34a_100000692535_100009814007 [0,1,0,0,0,0|3,0,0]=4 5710 B12R0.234 CC(=O)OCCOCCOCCBr 7a_100000692535_100009814007 [0,1,0,0,0,0|3,0,0]=4 5711 B12R0.234 CC(=O)OCCOCCOCCCl 34a_100011215305_100009814007 [0,1,0,0,0,0|3,0,0]=4 5712 B12R0.234 CC(=O)OCCOCCOCCCl 7a_100011215305_100009814007 [0,1,0,0,0,0|3,0,0]=4 5713 B12R0.234 CC(=O)OCCOCCOCCF 34a_200015357709_100009814007 [0,1,0,0,0,0|3,0,0]=4 5714 B12R0.234 CC(=O)OCCOCCOCCF 7a_200015357709_100009814007 [0,1,0,0,0,0|3,0,0]=4 5715 B12R0.234 CC(=O)OCCOCCOCCI 34a_100012149058_100009814007 [0,1,0,0,0,0|3,0,0]=4 5716 B12R0.234 CC(=O)OCCOCCOCCI 7a_100012149058_100009814007 [0,1,0,0,0,0|3,0,0]=4 5717 B12R0.234 CC(=O)OCCOCCOCCN 34a_100000210304_200000083610 [0,1,0,0,0,0|3,0,0]=4 5718 B12R0.234 CC(=O)OCCOCCOCCN 34a_100000211614_100009814007 [0,1,0,0,0,0|3,0,0]=4 5719 B12R0.234 CC(=O)OCCOCCSCCF 62a_100011217306_200000083610 [0,1,0,0,0,0|3,0,0]=4 5720 B12R0.234 CC(=O)OCCOCCSCCF 62a_200000083610_100011217306 [0,1,0,0,0,0|3,0,0]=4 5721 B12R0.234 CC(=O)OCCOCCSCCO 62a_100000211926_200000083610 [0,1,0,0,0,0|3,0,0]=4 5722 B12R0.234 CC(=O)OCCOCCSCCO 62a_200000083610_100000211926 [0,1,0,0,0,0|3,0,0]=4 5723 B12R0.234 CC(=O)OCCOCNCCCF 34a_100015189416_100000076355 [0,1,0,0,0,0|3,0,0]=4 5724 B12R0.234 CC(=O)OCCOCOCCCBr 34a_100011217188_100000076355 [0,1,0,0,0,0|3,0,0]=4 5725 B12R0.234 CC(=O)OCCOCOCCCCl 34a_100000230001_100000076355 [0,1,0,0,0,0|3,0,0]=4 5726 B12R0.234 CC(=O)OCCOCOCCCF 34a_100000759539_100000076355 [0,1,0,0,0,0|3,0,0]=4 5727 B12R0.234 CC(=O)OCCOCOCCCN 34a_100000182051_100000076355 [0,1,0,0,0,0|3,0,0]=4 5728 B12R0.234 CC(=O)OCCOCSCCCF 62a_100000076355_100011934791 [0,1,0,0,0,0|3,0,0]=4 5729 B12R0.234 CC(=O)OCCOCSCCCF 62a_100011934791_100000076355 [0,1,0,0,0,0|3,0,0]=4 5730 B12R0.234 CC(=O)OCCOCSCCCO 62a_100000076355_100011215043 [0,1,0,0,0,0|3,0,0]=4 5731 B12R0.234 CC(=O)OCCOCSCCCO 62a_100011215043_100000076355 [0,1,0,0,0,0|3,0,0]=4 5732 B12R0.234 CC(=O)OCCSCCCCC#N 62a_100009814007_100000211819 [0,1,0,0,0,0|2,0,1]=4 5733 B12R0.234 CC(=O)OCCSCCCCC#N 62a_100011219923_100009814007 [0,1,0,0,0,0|2,0,1]=4 5734 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [0,1,0,0,0,0|2,0,1]=4 5735 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [0,1,0,0,0,0|2,0,1]=4 5736 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,1,0,0,0,0|2,0,0]=3 5737 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,1,0,0,0,0|2,0,0]=3 5738 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,1,0,0,0,0|2,0,0]=3 5739 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,1,0,0,0,0|2,0,0]=3 5740 B12R0.234 CC(=O)OCCSCCOCCO 62a_100009814007_100011215305 [0,1,0,0,0,0|3,0,0]=4 5741 B12R0.234 CC(=O)OCCSCCOCCO 62a_100011215305_100009814007 [0,1,0,0,0,0|3,0,0]=4 5742 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,1,0,0,0,0|2,0,0]=3 5743 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,1,0,0,0,0|2,0,0]=3 5744 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,1,0,0,0,0|2,0,0]=3 5745 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,1,0,0,0,0|2,0,0]=3 5746 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,1,0,0,0,0|2,0,0]=3 5747 B12R0.234 CC(=O)OCSCCCCCC#N 62a_100000076356_100009813376 [0,1,0,0,0,0|2,0,1]=4 5748 B12R0.234 CC(=O)OCSCCCCCC#N 62a_100009813376_100000076356 [0,1,0,0,0,0|2,0,1]=4 5749 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [0,1,0,0,0,0|2,0,1]=4 5750 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [0,1,0,0,0,0|2,0,1]=4 5751 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,1,0,0,0,0|2,0,0]=3 5752 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,1,0,0,0,0|2,0,0]=3 5753 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,1,0,0,0,0|2,0,0]=3 5754 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,1,0,0,0,0|2,0,0]=3 5755 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,1,0,0,0,0|2,0,0]=3 5756 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,1,0,0,0,0|2,0,0]=3 5757 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,1,0,0,0,0|2,0,0]=3 5758 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,1,0,0,0,0|2,0,0]=3 5759 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,1,0,0,0,0|2,0,0]=3 5760 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,1,0,0,0,0|2,0,0]=3 5761 B12R0.234 CC(=O)SCCCCOCCON 34a_100000700252_200010402107 [0,1,0,0,0,0|3,0,0]=4 5762 B12R0.234 CC(=O)SCCCCSCCC#N 62a_100011215226_200010402107 [0,1,0,0,0,0|2,0,1]=4 5763 B12R0.234 CC(=O)SCCCCSCCC#N 62a_200010402107_100011215226 [0,1,0,0,0,0|2,0,1]=4 5764 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,1,0,0,0,0|2,0,0]=3 5765 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,1,0,0,0,0|2,0,0]=3 5766 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,1,0,0,0,0|2,0,0]=3 5767 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,1,0,0,0,0|2,0,0]=3 5768 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,1,0,0,0,0|2,0,0]=3 5769 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,1,0,0,0,0|2,0,0]=3 5770 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,1,0,0,0,0|2,0,0]=3 5771 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,1,0,0,0,0|2,0,0]=3 5772 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,1,0,0,0,0|2,0,0]=3 5773 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,1,0,0,0,0|2,0,0]=3 5774 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,1,0,0,0,0|2,0,0]=3 5775 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,1,0,0,0,0|2,0,0]=3 5776 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,1,0,0,0,0|2,0,0]=3 5777 B12R0.234 CC(=O)SCCCSCCCC#N 62a_100000038929_100000687738 [0,1,0,0,0,0|2,0,1]=4 5778 B12R0.234 CC(=O)SCCCSCCCC#N 62a_100000687738_100000038929 [0,1,0,0,0,0|2,0,1]=4 5779 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [0,1,0,0,0,0|2,0,1]=4 5780 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [0,1,0,0,0,0|2,0,1]=4 5781 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,1,0,0,0,0|2,0,0]=3 5782 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,1,0,0,0,0|2,0,0]=3 5783 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,1,0,0,0,0|2,0,0]=3 5784 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,1,0,0,0,0|2,0,0]=3 5785 B12R0.234 CC(=S)OCCCNCCCCO 2230a_100000750430_200135323944 [0,1,0,0,0,0|2,1,0]=4 5786 B12R0.234 CC(=S)OCCCNCCCCO 34a_100000750430_200135323944 [0,1,0,0,0,0|2,1,0]=4 5787 B12R0.234 CC(=S)OCCCOCCCCBr 34a_100011216708_200135323944 [0,1,0,0,0,0|2,1,0]=4 5788 B12R0.234 CC(=S)OCCCOCCCCCl 34a_100000210776_200135323944 [0,1,0,0,0,0|2,1,0]=4 5789 B12R0.234 CC(=S)OCCCOCCCCCl 7a_100000210776_200135323944 [0,1,0,0,0,0|2,1,0]=4 5790 B12R0.234 CC(=S)OCCCOCCCCF 34a_100011995726_200135323944 [0,1,0,0,0,0|2,1,0]=4 5791 B12R0.234 CC(=S)OCCCOCCCCF 7a_100011995726_200135323944 [0,1,0,0,0,0|2,1,0]=4 5792 B12R0.234 CC(=S)OCCCOCCCCI 34a_200012148704_200135323944 [0,1,0,0,0,0|2,1,0]=4 5793 B12R0.234 CC(=S)OCCCOCCCCN 34a_100000750430_200135323944 [0,1,0,0,0,0|2,1,0]=4 5794 B12R0.234 CC(=S)OCCCSCCCCF 62a_100000729493_200135323944 [0,1,0,0,0,0|2,1,0]=4 5795 B12R0.234 CC(=S)OCCCSCCCCF 62a_200135323944_100000729493 [0,1,0,0,0,0|2,1,0]=4 5796 B12R0.234 CC(=S)OCCCSCCCCO 62a_100000210776_200135323944 [0,1,0,0,0,0|2,1,0]=4 5797 B12R0.234 CC(=S)OCCCSCCCCO 62a_200135323944_100000210776 [0,1,0,0,0,0|2,1,0]=4 5798 B12R0.234 CC(Br)CCOCCCCCCF 34a_100009893172_100015922095 [0,1,0,0,0,0|2,0,1]=4 5799 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [0,1,0,0,0,0|2,0,1]=4 5800 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,1,0,0,0,0|2,0,1]=4 5801 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [0,1,0,0,0,0|2,0,1]=4 5802 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [0,1,0,0,0,0|2,0,1]=4 5803 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [0,1,0,0,0,0|2,0,1]=4 5804 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [0,1,0,0,0,0|2,0,1]=4 5805 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [0,1,0,0,0,0|2,0,1]=4 5806 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [0,1,0,0,0,0|2,0,1]=4 5807 B12R0.234 CC(C)CCCCCNCCCF 2230a_100011290863_100011934791 [0,1,0,0,0,0|2,0,1]=4 5808 B12R0.234 CC(C)CCCCCNCCCF 2230a_100015189416_100000210682 [0,1,0,0,0,0|2,0,1]=4 5809 B12R0.234 CC(C)CCCCCNCCCF 34a_100011290863_100011934791 [0,1,0,0,0,0|2,0,1]=4 5810 B12R0.234 CC(C)CCCCCNCCCF 34a_100015189416_100000210682 [0,1,0,0,0,0|2,0,1]=4 5811 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [0,1,0,0,0,0|2,0,1]=4 5812 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [0,1,0,0,0,0|2,0,1]=4 5813 B12R0.234 CC(C)CCCCCOCCCBr 34a_100011217188_100000210682 [0,1,0,0,0,0|2,0,1]=4 5814 B12R0.234 CC(C)CCCCCOCCCCl 34a_100000230001_100000210682 [0,1,0,0,0,0|2,0,1]=4 5815 B12R0.234 CC(C)CCCCCOCCCF 34a_100000759539_100000210682 [0,1,0,0,0,0|2,0,1]=4 5816 B12R0.234 CC(C)CCCCCOCCCF 34a_100011995859_100011934791 [0,1,0,0,0,0|2,0,1]=4 5817 B12R0.234 CC(C)CCCCCOCCCF 7a_100011995859_100011934791 [0,1,0,0,0,0|2,0,1]=4 5818 B12R0.234 CC(C)CCCCCOCCCN 34a_100000182051_100000210682 [0,1,0,0,0,0|2,0,1]=4 5819 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [0,1,0,0,0,0|2,0,1]=4 5820 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [0,1,0,0,0,0|2,0,1]=4 5821 B12R0.234 CC(C)CCCCCSCCCF 62a_100000210682_100011934791 [0,1,0,0,0,0|2,0,1]=4 5822 B12R0.234 CC(C)CCCCCSCCCF 62a_100011934791_100000210682 [0,1,0,0,0,0|2,0,1]=4 5823 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [0,1,0,0,0,0|2,0,1]=4 5824 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [0,1,0,0,0,0|2,0,1]=4 5825 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [0,1,0,0,0,0|2,0,1]=4 5826 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [0,1,0,0,0,0|2,0,1]=4 5827 B12R0.234 CC(C)CCCCOCCCCBr 34a_100011216708_100011216152 [0,1,0,0,0,0|2,0,1]=4 5828 B12R0.234 CC(C)CCCCOCCCCCl 34a_100000210776_100011216152 [0,1,0,0,0,0|2,0,1]=4 5829 B12R0.234 CC(C)CCCCOCCCCCl 7a_100000210776_100011216152 [0,1,0,0,0,0|2,0,1]=4 5830 B12R0.234 CC(C)CCCCOCCCCF 34a_100011214890_100000729493 [0,1,0,0,0,0|2,0,1]=4 5831 B12R0.234 CC(C)CCCCOCCCCF 34a_100011995726_100011216152 [0,1,0,0,0,0|2,0,1]=4 5832 B12R0.234 CC(C)CCCCOCCCCF 7a_100011214890_100000729493 [0,1,0,0,0,0|2,0,1]=4 5833 B12R0.234 CC(C)CCCCOCCCCF 7a_100011995726_100011216152 [0,1,0,0,0,0|2,0,1]=4 5834 B12R0.234 CC(C)CCCCOCCCCI 34a_200012148704_100011216152 [0,1,0,0,0,0|2,0,1]=4 5835 B12R0.234 CC(C)CCCCOCCCCN 34a_100000750430_100011216152 [0,1,0,0,0,0|2,0,1]=4 5836 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [0,1,0,0,0,0|2,0,1]=4 5837 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [0,1,0,0,0,0|2,0,1]=4 5838 B12R0.234 CC(C)CCCCSCCCCF 62a_100000729493_100011216152 [0,1,0,0,0,0|2,0,1]=4 5839 B12R0.234 CC(C)CCCCSCCCCF 62a_100011216152_100000729493 [0,1,0,0,0,0|2,0,1]=4 5840 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [0,1,0,0,0,0|2,0,1]=4 5841 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [0,1,0,0,0,0|2,0,1]=4 5842 B12R0.234 CC(C)CCCNCCCCCF 2230a_200000737386_100000729378 [0,1,0,0,0,0|2,0,1]=4 5843 B12R0.234 CC(C)CCCNCCCCCF 34a_200000737386_100000729378 [0,1,0,0,0,0|2,0,1]=4 5844 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [0,1,0,0,0,0|2,0,1]=4 5845 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [0,1,0,0,0,0|2,0,1]=4 5846 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [0,1,0,0,0,0|2,0,1]=4 5847 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [0,1,0,0,0,0|2,0,1]=4 5848 B12R0.234 CC(C)CCCOCCCCCBr 34a_100000746331_100011214892 [0,1,0,0,0,0|2,0,1]=4 5849 B12R0.234 CC(C)CCCOCCCCCBr 7a_100000746331_100011214892 [0,1,0,0,0,0|2,0,1]=4 5850 B12R0.234 CC(C)CCCOCCCCCCl 34a_100000746330_100011214892 [0,1,0,0,0,0|2,0,1]=4 5851 B12R0.234 CC(C)CCCOCCCCCCl 7a_100000746330_100011214892 [0,1,0,0,0,0|2,0,1]=4 5852 B12R0.234 CC(C)CCCOCCCCCF 34a_100000210774_100000729378 [0,1,0,0,0,0|2,0,1]=4 5853 B12R0.234 CC(C)CCCOCCCCCF 7a_100000210774_100000729378 [0,1,0,0,0,0|2,0,1]=4 5854 B12R0.234 CC(C)CCCOCCCCCI 34a_200012148887_100011214892 [0,1,0,0,0,0|2,0,1]=4 5855 B12R0.234 CC(C)CCCOCCCCCI 7a_200012148887_100011214892 [0,1,0,0,0,0|2,0,1]=4 5856 B12R0.234 CC(C)CCCOCCCCCN 34a_100000762737_100011214892 [0,1,0,0,0,0|2,0,1]=4 5857 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [0,1,0,0,0,0|2,0,1]=4 5858 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [0,1,0,0,0,0|2,0,1]=4 5859 B12R0.234 CC(C)CCCSCCCCCF 62a_100000729378_100011214892 [0,1,0,0,0,0|2,0,1]=4 5860 B12R0.234 CC(C)CCCSCCCCCF 62a_100011214892_100000729378 [0,1,0,0,0,0|2,0,1]=4 5861 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [0,1,0,0,0,0|2,0,1]=4 5862 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [0,1,0,0,0,0|2,0,1]=4 5863 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [0,1,0,0,0,0|2,0,1]=4 5864 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [0,1,0,0,0,0|2,0,1]=4 5865 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [0,1,0,0,0,0|2,0,1]=4 5866 B12R0.234 CC(C)CCOCCCCCCBr 34a_100011215345_100000210312 [0,1,0,0,0,0|2,0,1]=4 5867 B12R0.234 CC(C)CCOCCCCCCBr 7a_100011215345_100000210626 [0,1,0,0,0,0|2,0,1]=4 5868 B12R0.234 CC(C)CCOCCCCCCCl 34a_100000766143_100000210312 [0,1,0,0,0,0|2,0,1]=4 5869 B12R0.234 CC(C)CCOCCCCCCCl 7a_100000766143_100000210626 [0,1,0,0,0,0|2,0,1]=4 5870 B12R0.234 CC(C)CCOCCCCCCF 34a_100000210254_100015922095 [0,1,0,0,0,0|2,0,1]=4 5871 B12R0.234 CC(C)CCOCCCCCCF 34a_100000732779_100000210312 [0,1,0,0,0,0|2,0,1]=4 5872 B12R0.234 CC(C)CCOCCCCCCF 7a_100000210254_100015922095 [0,1,0,0,0,0|2,0,1]=4 5873 B12R0.234 CC(C)CCOCCCCCCF 7a_100000732779_100000210626 [0,1,0,0,0,0|2,0,1]=4 5874 B12R0.234 CC(C)CCOCCCCCCN 34a_100000686447_100000210312 [0,1,0,0,0,0|2,0,1]=4 5875 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [0,1,0,0,0,0|2,0,1]=4 5876 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [0,1,0,0,0,0|2,0,1]=4 5877 B12R0.234 CC(C)CCSCCCCCCF 62a_100000210312_100015922095 [0,1,0,0,0,0|2,0,1]=4 5878 B12R0.234 CC(C)CCSCCCCCCF 62a_100015922095_100000210312 [0,1,0,0,0,0|2,0,1]=4 5879 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [0,1,0,0,0,0|2,0,1]=4 5880 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [0,1,0,0,0,0|2,0,1]=4 5881 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [0,1,0,0,0,0|2,0,1]=4 5882 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [0,1,0,0,0,0|2,0,1]=4 5883 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [0,1,0,0,0,0|2,0,1]=4 5884 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [0,1,0,0,0,0|2,0,1]=4 5885 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [0,1,0,0,0,0|2,0,1]=4 5886 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [0,1,0,0,0,0|2,0,1]=4 5887 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [0,1,0,0,0,0|2,0,1]=4 5888 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,1,0,0,0,0|2,0,1]=4 5889 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,1,0,0,0,0|2,0,1]=4 5890 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [0,1,0,0,0,0|2,0,1]=4 5891 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [0,1,0,0,0,0|2,0,1]=4 5892 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,1,0,0,0,0|2,0,1]=4 5893 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,1,0,0,0,0|2,0,1]=4 5894 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,1,0,0,0,0|2,0,1]=4 5895 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,1,0,0,0,0|2,0,1]=4 5896 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [0,1,0,0,0,0|2,0,1]=4 5897 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [0,1,0,0,0,0|2,0,1]=4 5898 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [0,1,0,0,0,0|2,0,1]=4 5899 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [0,1,0,0,0,0|2,0,1]=4 5900 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,1,0,0,0,0|2,0,1]=4 5901 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,1,0,0,0,0|2,0,1]=4 5902 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,1,0,0,0,0|2,0,1]=4 5903 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,1,0,0,0,0|2,0,1]=4 5904 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,1,0,0,0,0|2,0,1]=4 5905 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 5906 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 5907 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,1,0,0,0,0|1,0,2]=4 5908 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,1,0,0,0,0|1,0,2]=4 5909 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,1,0,0,0,0|1,0,2]=4 5910 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,1,0,0,0,0|1,0,2]=4 5911 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,1,0,0,0,0|1,0,2]=4 5912 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,1,0,0,0,0|1,0,2]=4 5913 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 5914 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,1,0,0,0,0|1,0,2]=4 5915 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,1,0,0,0,0|1,0,2]=4 5916 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,1,0,0,0,0|1,0,2]=4 5917 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,1,0,0,0,0|1,0,2]=4 5918 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,1,0,0,0,0|1,0,2]=4 5919 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 5920 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,1,0,0,0,0|1,0,2]=4 5921 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 5922 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,1,0,0,0,0|1,0,2]=4 5923 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,1,0,0,0,0|1,0,2]=4 5924 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,1,0,0,0,0|1,0,2]=4 5925 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,1,0,0,0,0|1,0,2]=4 5926 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,1,0,0,0,0|1,0,2]=4 5927 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,1,0,0,0,0|1,0,2]=4 5928 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 5929 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,1,0,0,0,0|1,0,2]=4 5930 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,1,0,0,0,0|1,0,2]=4 5931 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,1,0,0,0,0|1,0,2]=4 5932 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,1,0,0,0,0|1,0,2]=4 5933 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,1,0,0,0,0|1,0,2]=4 5934 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 5935 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|1,0,2]=4 5936 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 5937 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,1,0,0,0,0|1,0,2]=4 5938 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,1,0,0,0,0|1,0,2]=4 5939 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 5940 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,1,0,0,0,0|1,0,2]=4 5941 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,1,0,0,0,0|1,0,2]=4 5942 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,1,0,0,0,0|0,0,2]=3 5943 B12R0.234 CC/C=C/CCCOCCC(=O)N 34a_100016287902_100000731001 [0,1,0,0,0,0|1,0,2]=4 5944 B12R0.234 CC/C=C/CCCOCCC(=O)N 7a_100016287902_100000744528 [0,1,0,0,0,0|1,0,2]=4 5945 B12R0.234 CC/C=C/CCCOCOC(=O)C 34a_100016287902_100009813279 [0,1,0,0,0,0|1,0,2]=4 5946 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,1,0,0,0,0|1,0,2]=4 5947 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,1,0,0,0,0|1,0,2]=4 5948 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,1,0,0,0,0|1,0,2]=4 5949 B12R0.234 CC/C=C\CCNCCCC(=O)N 34a_100000739312_100015370543 [0,1,0,0,0,0|1,0,2]=4 5950 B12R0.234 CC/C=C\CCNCCCS(=O)C 2230a_200000753449_100015370543 [0,1,0,0,0,0|1,0,2]=4 5951 B12R0.234 CC/C=C\CCNCCNC(=O)C 2230a_100000209853_100015370543 [0,1,0,0,0,0|1,0,2]=4 5952 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,1,0,0,0,0|0,0,2]=3 5953 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,1,0,0,0,0|0,0,2]=3 5954 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,1,0,0,0,0|0,0,2]=3 5955 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,1,0,0,0,0|0,0,2]=3 5956 B12R0.234 CC/C=C\CCOCCCC(=O)N 34a_100016288707_100102525003 [0,1,0,0,0,0|1,0,2]=4 5957 B12R0.234 CC/C=C\CCOCCCC(=O)N 7a_100016288707_100102525003 [0,1,0,0,0,0|1,0,2]=4 5958 B12R0.234 CC/C=C\CCOCCNC(=O)C 34a_100000158858_100015370543 [0,1,0,0,0,0|1,0,2]=4 5959 B12R0.234 CC/C=C\CCOCCNC(=O)C 7a_100016288707_100000189650 [0,1,0,0,0,0|1,0,2]=4 5960 B12R0.234 CC/C=C\CCOCCOC(=O)C 34a_100016288707_100009814007 [0,1,0,0,0,0|1,0,2]=4 5961 B12R0.234 CC/C=C\CCOCCOC(=O)C 7a_100016288707_100009814007 [0,1,0,0,0,0|1,0,2]=4 5962 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,1,0,0,0,0|0,0,2]=3 5963 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,1,0,0,0,0|0,0,2]=3 5964 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100015370543_100102525003 [0,1,0,0,0,0|1,0,2]=4 5965 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100102525003_100015370543 [0,1,0,0,0,0|1,0,2]=4 5966 B12R0.234 CC/C=C\CCSCCNC(=O)C 62a_100000189650_100015370543 [0,1,0,0,0,0|1,0,2]=4 5967 B12R0.234 CC/C=C\CCSCCNC(=O)C 62a_100015370543_100000189650 [0,1,0,0,0,0|1,0,2]=4 5968 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100009814007_100015370543 [0,1,0,0,0,0|1,0,2]=4 5969 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100015370543_100009814007 [0,1,0,0,0,0|1,0,2]=4 5970 B12R0.234 CC/C=C\CNCCCCC(=O)N 34a_100000696515_100103147603 [0,1,0,0,0,0|1,0,2]=4 5971 B12R0.234 CC/C=C\CNCCCNC(=O)C 34a_100000736810_100103147603 [0,1,0,0,0,0|1,0,2]=4 5972 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,1,0,0,0,0|0,0,2]=3 5973 B12R0.234 CC/C=C\COCCCCC(=O)N 34a_100012022536_100103147603 [0,1,0,0,0,0|1,0,2]=4 5974 B12R0.234 CC/C=C\COCCCCC(=O)N 7a_100012022536_100103147603 [0,1,0,0,0,0|1,0,2]=4 5975 B12R0.234 CC/C=C\COCCCNC(=O)C 34a_100000752032_100103147603 [0,1,0,0,0,0|1,0,2]=4 5976 B12R0.234 CC/C=C\COCCCOC(=O)C 34a_100016268518_100000042594 [0,1,0,0,0,0|1,0,2]=4 5977 B12R0.234 CC/C=C\COCCCSC(=O)C 34a_100016268518_100000038929 [0,1,0,0,0,0|1,0,2]=4 5978 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,1,0,0,0,0|0,0,2]=3 5979 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,1,0,0,0,0|0,0,2]=3 5980 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100000042594_100103147603 [0,1,0,0,0,0|1,0,2]=4 5981 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100103147603_100000042594 [0,1,0,0,0,0|1,0,2]=4 5982 B12R0.234 CC/C=C\CSCCCSC(=O)C 62a_100000038929_100103147603 [0,1,0,0,0,0|1,0,2]=4 5983 B12R0.234 CC/C=C\CSCCCSC(=O)C 62a_100103147603_100000038929 [0,1,0,0,0,0|1,0,2]=4 5984 B12R0.234 CC=C=CCCOCCCC(=O)C 34a_100011020354_100000685027 [0,1,0,0,0,0|0,0,3]=4 5985 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,1,0,0,0,0|0,0,2]=3 5986 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,1,0,0,0,0|1,0,2]=4 5987 B12R0.234 CC=CCCCOCCOC(=O)C 34a_100020645299_100009814007 [0,1,0,0,0,0|1,0,2]=4 5988 B12R0.234 CC=CCNCCCCNC(=O)C 2230a_200011368371_100000070051 [0,1,0,0,0,0|1,0,2]=4 5989 B12R0.234 CC=CCNCCCCNC(=O)C 34a_200011368371_100000070051 [0,1,0,0,0,0|1,0,2]=4 5990 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,1,0,0,0,0|1,0,2]=4 5991 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,1,0,0,0,0|1,0,2]=4 5992 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,1,0,0,0,0|1,0,2]=4 5993 B12R0.234 CC=CCOCCCCOC(=O)C 34a_100000073216_100000070051 [0,1,0,0,0,0|1,0,2]=4 5994 B12R0.234 CC=CCOCCCCOC(=O)C 7a_100000073216_100000070051 [0,1,0,0,0,0|1,0,2]=4 5995 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,1,0,0,0,0|1,0,2]=4 5996 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,1,0,0,0,0|1,0,2]=4 5997 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000033659_100000070051 [0,1,0,0,0,0|1,0,2]=4 5998 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000070051_100000033659 [0,1,0,0,0,0|1,0,2]=4 5999 B12R0.234 CC=CCSCCCCSC(=O)C 62a_100000070051_200010402107 [0,1,0,0,0,0|1,0,2]=4 6000 B12R0.234 CC=CCSCCCCSC(=O)C 62a_200010402107_100000070051 [0,1,0,0,0,0|1,0,2]=4 6001 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,1,0,0,0,0|0,0,1]=2 6002 B12R0.234 CCC#CCCCCCCN(C)C 2230a_100102631434_200000036426 [0,1,0,0,0,0|2,0,1]=4 6003 B12R0.234 CCC#CCCCCCCN(C)C 269982a_100102631434_200000036426 [0,1,0,0,0,0|2,0,1]=4 6004 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,1,0,0,0,0|0,0,2]=3 6005 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,1,0,0,0,0|0,0,2]=3 6006 B12R0.234 CCC#CCCOCCCC(=O)N 34a_100000036655_100102525003 [0,1,0,0,0,0|1,0,2]=4 6007 B12R0.234 CCC#CCCOCCCC(=O)N 7a_100000036655_100102525003 [0,1,0,0,0,0|1,0,2]=4 6008 B12R0.234 CCC#CCCOCCNC(=O)C 7a_100000036655_100000189650 [0,1,0,0,0,0|1,0,2]=4 6009 B12R0.234 CCC#CCCOCCOC(=O)C 34a_100000036655_100009814007 [0,1,0,0,0,0|1,0,2]=4 6010 B12R0.234 CCC#CCCOCCOC(=O)C 7a_100000036655_100009814007 [0,1,0,0,0,0|1,0,2]=4 6011 B12R0.234 CCC#CCNCCCCC(=O)N 34a_100000696515_100009813939 [0,1,0,0,0,0|1,0,2]=4 6012 B12R0.234 CCC#CCNCCCNC(=O)C 34a_100000736810_100009813939 [0,1,0,0,0,0|1,0,2]=4 6013 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,1,0,0,0,0|0,0,2]=3 6014 B12R0.234 CCC#CCOCCCCC(=O)N 34a_100012022536_100009813939 [0,1,0,0,0,0|1,0,2]=4 6015 B12R0.234 CCC#CCOCCCCC(=O)N 7a_100012022536_100009813939 [0,1,0,0,0,0|1,0,2]=4 6016 B12R0.234 CCC#CCOCCCNC(=O)C 34a_100000752032_100009813939 [0,1,0,0,0,0|1,0,2]=4 6017 B12R0.234 CCC#CCOCCCOC(=O)C 34a_100000032950_100000042594 [0,1,0,0,0,0|1,0,2]=4 6018 B12R0.234 CCC#CCOCCCSC(=O)C 34a_100000032950_100000038929 [0,1,0,0,0,0|1,0,2]=4 6019 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [0,1,0,0,0,0|0,0,2]=3 6020 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [0,1,0,0,0,0|0,0,2]=3 6021 B12R0.234 CCC#CCSCCCOC(=O)C 62a_100000042594_100009813939 [0,1,0,0,0,0|1,0,2]=4 6022 B12R0.234 CCC#CCSCCCOC(=O)C 62a_100009813939_100000042594 [0,1,0,0,0,0|1,0,2]=4 6023 B12R0.234 CCC#CCSCCCSC(=O)C 62a_100000038929_100009813939 [0,1,0,0,0,0|1,0,2]=4 6024 B12R0.234 CCC#CCSCCCSC(=O)C 62a_100009813939_100000038929 [0,1,0,0,0,0|1,0,2]=4 6025 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,1,0,0,0,0|0,0,2]=3 6026 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,1,0,0,0,0|0,0,2]=3 6027 B12R0.234 CCC/C=C/COCCCC(=O)N 34a_100016278788_100102525003 [0,1,0,0,0,0|1,0,2]=4 6028 B12R0.234 CCC/C=C/COCCCC(=O)N 7a_100016278788_100102525003 [0,1,0,0,0,0|1,0,2]=4 6029 B12R0.234 CCC/C=C/COCCNC(=O)C 7a_100016278788_100000189650 [0,1,0,0,0,0|1,0,2]=4 6030 B12R0.234 CCC/C=C/COCCOC(=O)C 34a_100016278788_100009814007 [0,1,0,0,0,0|1,0,2]=4 6031 B12R0.234 CCC/C=C/COCCOC(=O)C 7a_100016278788_100009814007 [0,1,0,0,0,0|1,0,2]=4 6032 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,1,0,0,0,0|0,0,2]=3 6033 B12R0.234 CCCC#CCCOCCC(=O)N 34a_100000042726_100000731001 [0,1,0,0,0,0|1,0,2]=4 6034 B12R0.234 CCCC#CCCOCCC(=O)N 7a_100000042726_100000744528 [0,1,0,0,0,0|1,0,2]=4 6035 B12R0.234 CCCC#CCCOCOC(=O)C 34a_100000042726_100009813279 [0,1,0,0,0,0|1,0,2]=4 6036 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,1,0,0,0,0|0,0,2]=3 6037 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,1,0,0,0,0|0,0,2]=3 6038 B12R0.234 CCCC#CCOCCCC(=O)N 34a_100000034806_100102525003 [0,1,0,0,0,0|1,0,2]=4 6039 B12R0.234 CCCC#CCOCCCC(=O)N 7a_100000034806_100102525003 [0,1,0,0,0,0|1,0,2]=4 6040 B12R0.234 CCCC#CCOCCNC(=O)C 7a_100000034806_100000189650 [0,1,0,0,0,0|1,0,2]=4 6041 B12R0.234 CCCC#CCOCCOC(=O)C 34a_100000034806_100009814007 [0,1,0,0,0,0|1,0,2]=4 6042 B12R0.234 CCCC#CCOCCOC(=O)C 7a_100000034806_100009814007 [0,1,0,0,0,0|1,0,2]=4 6043 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,1,0,0,0,0|0,0,2]=3 6044 B12R0.234 CCCC/C=C/COCCC(=O)N 34a_200016272032_100000731001 [0,1,0,0,0,0|1,0,2]=4 6045 B12R0.234 CCCC/C=C/COCCC(=O)N 7a_200016272032_100000744528 [0,1,0,0,0,0|1,0,2]=4 6046 B12R0.234 CCCC/C=C/COCOC(=O)C 34a_200016272032_100009813279 [0,1,0,0,0,0|1,0,2]=4 6047 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 6048 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 6049 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,1,0,0,0,0|1,0,2]=4 6050 B12R0.234 CCCCC#CCCOCC(=O)N 34a_100000037610_100000187820 [0,1,0,0,0,0|1,0,2]=4 6051 B12R0.234 CCCCC#CCCOCC(=O)N 7a_100000037610_100000187820 [0,1,0,0,0,0|1,0,2]=4 6052 B12R0.234 CCCCC#CCCOCC(=O)[O-] 34a_100000037610_100020667443 [0,1,0,0,0,0|1,0,2]=4 6053 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,1,0,0,0,0|0,0,2]=3 6054 B12R0.234 CCCCC#CCOCCC(=O)N 34a_200000034558_100000731001 [0,1,0,0,0,0|1,0,2]=4 6055 B12R0.234 CCCCC#CCOCCC(=O)N 7a_200000034558_100000744528 [0,1,0,0,0,0|1,0,2]=4 6056 B12R0.234 CCCCC#CCOCOC(=O)C 34a_200000034558_100009813279 [0,1,0,0,0,0|1,0,2]=4 6057 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,1,0,0,0,0|1,0,2]=4 6058 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,1,0,0,0,0|1,0,2]=4 6059 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,1,0,0,0,0|1,0,2]=4 6060 B12R0.234 CCCCCC#CCNCC(=O)N 2230a_100000711301_100009816472 [0,1,0,0,0,0|1,0,2]=4 6061 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,1,0,0,0,0|1,0,2]=4 6062 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,1,0,0,0,0|0,0,2]=3 6063 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 6064 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 6065 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,1,0,0,0,0|1,0,2]=4 6066 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100000747473_100009816472 [0,1,0,0,0,0|1,0,2]=4 6067 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100009816472_100000747473 [0,1,0,0,0,0|1,0,2]=4 6068 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100009816472_100020667443 [0,1,0,0,0,0|1,0,2]=4 6069 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100020667443_100009816472 [0,1,0,0,0,0|1,0,2]=4 6070 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,1,0,0,0,0|1,0,1]=3 6071 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,0,0,0,0|0,0,1]=2 6072 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,0,0,0,0|0,0,1]=2 6073 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|0,0,0]=1 6074 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|0,0,0]=1 6075 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|0,0,0]=1 6076 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,1,0,0,0,0|2,0,0]=3 6077 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,1,0,0,0,0|2,0,0]=3 6078 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,1,0,0,0,0|2,0,0]=3 6079 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,1,0,0,0,0|2,0,0]=3 6080 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,1,0,0,0,0|2,0,0]=3 6081 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,1,0,0,0,0|2,0,0]=3 6082 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|0,0,0]=1 6083 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|0,0,0]=1 6084 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|0,0,0]=1 6085 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|0,0,0]=1 6086 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,1,0,0,0,0|1,0,1]=3 6087 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,1,0,0,0,0|1,0,1]=3 6088 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,1,0,0,0,0|1,0,1]=3 6089 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,1,0,0,0,0|1,0,1]=3 6090 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,1,0,0,0,0|1,0,1]=3 6091 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,1,0,0,0,0|1,0,1]=3 6092 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,1,0,0,0,0|1,0,1]=3 6093 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,1,0,0,0,0|1,0,1]=3 6094 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|1,0,0]=2 6095 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|1,0,0]=2 6096 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|1,0,0]=2 6097 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|1,0,0]=2 6098 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|1,0,0]=2 6099 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,1,0,0,0,0|1,0,1]=3 6100 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,1,0,0,0,0|1,0,1]=3 6101 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,1,0,0,0,0|1,0,1]=3 6102 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,1,0,0,0,0|1,0,1]=3 6103 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,1,0,0,0,0|1,0,1]=3 6104 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,1,0,0,0,0|0,0,2]=3 6105 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,1,0,0,0,0|0,0,2]=3 6106 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,1,0,0,0,0|0,0,2]=3 6107 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,1,0,0,0,0|0,0,2]=3 6108 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,1,0,0,0,0|2,0,1]=4 6109 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,1,0,0,0,0|2,0,1]=4 6110 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,1,0,0,0,0|2,0,1]=4 6111 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,1,0,0,0,0|0,0,2]=3 6112 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,1,0,0,0,0|0,0,2]=3 6113 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,1,0,0,0,0|2,0,0]=3 6114 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|0,0,0]=1 6115 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|0,0,0]=1 6116 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,0]=2 6117 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,0]=2 6118 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|0,0,0]=1 6119 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|1,0,0]=2 6120 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,1,0,0,0,0|1,0,1]=3 6121 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,1,0,0,0,0|1,0,1]=3 6122 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,1,0,0,0,0|1,0,1]=3 6123 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,1,0,0,0,0|1,0,1]=3 6124 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,1,0,0,0,0|1,0,1]=3 6125 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,1,0,0,0,0|0,0,2]=3 6126 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,1,0,0,0,0|0,0,2]=3 6127 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 6128 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,1,0,0,0,0|2,0,1]=4 6129 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 6130 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,1,0,0,0,0|1,0,1]=3 6131 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,1,0,0,0,0|1,0,1]=3 6132 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,1,0,0,0,0|0,0,2]=3 6133 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,1,0,0,0,0|0,0,2]=3 6134 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,1,0,0,0,0|2,0,0]=3 6135 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,0,0]=2 6136 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,0,0]=2 6137 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|1,0,0]=2 6138 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|1,0,0]=2 6139 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,1,0,0,0,0|1,0,1]=3 6140 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,1,0,0,0,0|1,0,1]=3 6141 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,1,0,0,0,0|0,0,2]=3 6142 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,1,0,0,0,0|0,0,2]=3 6143 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,1,0,0,0,0|2,0,1]=4 6144 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,1,0,0,0,0|2,0,1]=4 6145 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,1,0,0,0,0|0,0,2]=3 6146 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,1,0,0,0,0|0,0,2]=3 6147 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,1,0,0,0,0|2,0,0]=3 6148 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,1,0,0,0,0|1,0,1]=3 6149 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,1,0,0,0,0|1,0,1]=3 6150 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|1,0,0]=2 6151 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,1,0,0,0,0|1,0,1]=3 6152 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,1,0,0,0,0|1,0,1]=3 6153 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,1,0,0,0,0|0,0,2]=3 6154 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,1,0,0,0,0|0,0,2]=3 6155 B12R0.234 CCCCCCCNCOC(C)C 2230a_100000229938_100000709892 [0,1,0,0,0,0|2,0,1]=4 6156 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,0,0,0,0|2,0,0]=3 6157 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,1,0,0,0,0|1,0,1]=3 6158 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,1,0,0,0,0|1,0,1]=3 6159 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,1,0,0,0,0|1,0,1]=3 6160 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|0,0,0]=1 6161 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|0,0,0]=1 6162 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|0,0,0]=1 6163 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|1,0,0]=2 6164 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|1,0,0]=2 6165 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|1,0,0]=2 6166 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|1,0,0]=2 6167 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,1,0,0,0,0|1,0,1]=3 6168 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,1,0,0,0,0|1,0,1]=3 6169 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,1,0,0,0,0|1,0,1]=3 6170 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,1,0,0,0,0|1,0,1]=3 6171 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,1,0,0,0,0|1,0,1]=3 6172 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,0,0,0,0|0,0,2]=3 6173 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,0,0,0,0|0,0,2]=3 6174 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [0,1,0,0,0,0|2,0,1]=4 6175 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,1,0,0,0,0|2,0,0]=3 6176 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,1,0,0,0,0|1,0,1]=3 6177 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,1,0,0,0,0|1,0,0]=2 6178 B12R0.234 CCCCCCCOCOC(C)C 34a_100000210272_100000709892 [0,1,0,0,0,0|2,0,1]=4 6179 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,1,0,0,0,0|1,0,1]=3 6180 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,1,0,0,0,0|1,0,1]=3 6181 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|0,0,0]=1 6182 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|0,0,0]=1 6183 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|1,0,0]=2 6184 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|1,0,0]=2 6185 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,1,0,0,0,0|1,0,1]=3 6186 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,1,0,0,0,0|1,0,1]=3 6187 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,1,0,0,0,0|0,0,2]=3 6188 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,1,0,0,0,0|0,0,2]=3 6189 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,1,0,0,0,0|2,0,0]=3 6190 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,1,0,0,0,0|1,0,0]=2 6191 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,1,0,0,0,0|1,0,0]=2 6192 B12R0.234 CCCCCCCSCOC(C)C 62a_100000210614_100000709892 [0,1,0,0,0,0|2,0,1]=4 6193 B12R0.234 CCCCCCCSCOC(C)C 62a_100000709892_100000210316 [0,1,0,0,0,0|2,0,1]=4 6194 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,1,0,0,0,0|1,0,1]=3 6195 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,1,0,0,0,0|2,0,1]=4 6196 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|1,0,0]=2 6197 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,1,0,0,0,0|1,0,1]=3 6198 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,1,0,0,0,0|1,0,1]=3 6199 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,1,0,0,0,0|1,0,1]=3 6200 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,1,0,0,0,0|0,0,2]=3 6201 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,1,0,0,0,0|1,0,0]=2 6202 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,1,0,0,0,0|1,0,0]=2 6203 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,1,0,0,0,0|1,0,0]=2 6204 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,1,0,0,0,0|2,0,0]=3 6205 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,1,0,0,0,0|2,0,0]=3 6206 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000210581_100000211751 [0,1,0,0,0,0|2,0,1]=4 6207 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000701111_100000210314 [0,1,0,0,0,0|2,0,1]=4 6208 B12R0.234 CCCCCCNCCOC(C)C 34a_100000701111_100000210314 [0,1,0,0,0,0|2,0,1]=4 6209 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000210581_100000730970 [0,1,0,0,0,0|2,0,1]=4 6210 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000731138_100000210314 [0,1,0,0,0,0|2,0,1]=4 6211 B12R0.234 CCCCCCNCCSC(C)C 34a_100000731138_100000210314 [0,1,0,0,0,0|2,0,1]=4 6212 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,1,0,0,0,0|1,0,1]=3 6213 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,1,0,0,0,0|1,0,1]=3 6214 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,1,0,0,0,0|2,0,1]=4 6215 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,1,0,0,0,0|2,0,1]=4 6216 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|0,0,0]=1 6217 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|0,0,0]=1 6218 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|0,0,0]=1 6219 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|0,0,0]=1 6220 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|1,0,0]=2 6221 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|1,0,0]=2 6222 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,1,0,0,0,0|1,0,1]=3 6223 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,1,0,0,0,0|1,0,1]=3 6224 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,1,0,0,0,0|1,0,1]=3 6225 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,1,0,0,0,0|1,0,1]=3 6226 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,1,0,0,0,0|0,0,2]=3 6227 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,1,0,0,0,0|0,0,2]=3 6228 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,1,0,0,0,0|2,0,0]=3 6229 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,1,0,0,0,0|2,0,0]=3 6230 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,1,0,0,0,0|1,0,0]=2 6231 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,1,0,0,0,0|1,0,0]=2 6232 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,1,0,0,0,0|2,0,0]=3 6233 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,1,0,0,0,0|2,0,0]=3 6234 B12R0.234 CCCCCCOCCNC(C)C 34a_100000224655_100000210314 [0,1,0,0,0,0|2,0,1]=4 6235 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,1,0,0,0,0|1,0,0]=2 6236 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,1,0,0,0,0|1,0,0]=2 6237 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,1,0,0,0,0|2,0,0]=3 6238 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,1,0,0,0,0|2,0,0]=3 6239 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,1,0,0,0,0|2,0,0]=3 6240 B12R0.234 CCCCCCOCCOC(C)C 34a_100000210259_100000211751 [0,1,0,0,0,0|2,0,1]=4 6241 B12R0.234 CCCCCCOCCOC(C)C 34a_100000211219_100000210314 [0,1,0,0,0,0|2,0,1]=4 6242 B12R0.234 CCCCCCOCCOC(C)C 34a_100000691444_100000210206 [0,1,0,0,0,0|2,0,1]=4 6243 B12R0.234 CCCCCCOCCOC(C)C 7a_100000210259_100000211751 [0,1,0,0,0,0|2,0,1]=4 6244 B12R0.234 CCCCCCOCCOC(C)C 7a_100000211219_100000210314 [0,1,0,0,0,0|2,0,1]=4 6245 B12R0.234 CCCCCCOCCOC(C)C 7a_100000691444_100000210206 [0,1,0,0,0,0|2,0,1]=4 6246 B12R0.234 CCCCCCOCCSC(C)C 34a_100000210259_100000730970 [0,1,0,0,0,0|2,0,1]=4 6247 B12R0.234 CCCCCCOCCSC(C)C 34a_200011212901_100000210314 [0,1,0,0,0,0|2,0,1]=4 6248 B12R0.234 CCCCCCOCCSC(C)C 7a_100000210259_100000730970 [0,1,0,0,0,0|2,0,1]=4 6249 B12R0.234 CCCCCCOCCSC(C)C 7a_200011212901_100000210314 [0,1,0,0,0,0|2,0,1]=4 6250 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,1,0,0,0,0|1,0,1]=3 6251 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,1,0,0,0,0|1,0,1]=3 6252 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,1,0,0,0,0|2,0,1]=4 6253 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,1,0,0,0,0|2,0,1]=4 6254 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|0,0,0]=1 6255 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|0,0,0]=1 6256 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|1,0,0]=2 6257 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|1,0,0]=2 6258 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,1,0,0,0,0|1,0,1]=3 6259 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,1,0,0,0,0|1,0,1]=3 6260 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,1,0,0,0,0|0,0,2]=3 6261 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,1,0,0,0,0|0,0,2]=3 6262 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,1,0,0,0,0|2,0,0]=3 6263 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,1,0,0,0,0|1,0,0]=2 6264 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,1,0,0,0,0|1,0,0]=2 6265 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,1,0,0,0,0|2,0,0]=3 6266 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,1,0,0,0,0|2,0,0]=3 6267 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,1,0,0,0,0|1,0,0]=2 6268 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,1,0,0,0,0|1,0,0]=2 6269 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,1,0,0,0,0|2,0,0]=3 6270 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,1,0,0,0,0|2,0,0]=3 6271 B12R0.234 CCCCCCSCCOC(C)C 62a_100000210314_100000211751 [0,1,0,0,0,0|2,0,1]=4 6272 B12R0.234 CCCCCCSCCOC(C)C 62a_100000211751_100000210757 [0,1,0,0,0,0|2,0,1]=4 6273 B12R0.234 CCCCCCSCCSC(C)C 62a_100000210314_100000730970 [0,1,0,0,0,0|2,0,1]=4 6274 B12R0.234 CCCCCCSCCSC(C)C 62a_100000730970_100000210757 [0,1,0,0,0,0|2,0,1]=4 6275 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,1,0,0,0,0|2,0,1]=4 6276 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|1,0,0]=2 6277 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,1,0,0,0,0|1,0,1]=3 6278 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,1,0,0,0,0|1,0,0]=2 6279 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,1,0,0,0,0|1,1,0]=3 6280 B12R0.234 CCCCCNCCCOC(C)C 2230a_100000737246_100000210326 [0,1,0,0,0,0|2,0,1]=4 6281 B12R0.234 CCCCCNCCCOC(C)C 34a_100000737246_100000718602 [0,1,0,0,0,0|2,0,1]=4 6282 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,1,0,0,0,0|1,0,0]=2 6283 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,1,0,0,0,0|2,0,0]=3 6284 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,1,0,0,0,0|2,0,0]=3 6285 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,0,0,0,0|2,0,0]=3 6286 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,1,0,0,0,0|2,0,0]=3 6287 B12R0.234 CCCCCNCCOCC(C)C 34a_100000224656_100000210624 [0,1,0,0,0,0|2,0,1]=4 6288 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,1,0,0,0,0|1,0,2]=4 6289 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,1,0,0,0,0|1,0,2]=4 6290 B12R0.234 CCCCCNCCOC[N+](=O)[O-] 34a_100000224656_100000761209 [0,1,0,0,0,0|3,0,0]=4 6291 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,1,0,0,0,0|2,0,1]=4 6292 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,1,0,0,0,0|2,0,1]=4 6293 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|0,0,0]=1 6294 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|0,0,0]=1 6295 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|1,0,0]=2 6296 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|1,0,0]=2 6297 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,1,0,0,0,0|1,0,1]=3 6298 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,1,0,0,0,0|1,0,1]=3 6299 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,1,0,0,0,0|1,0,1]=3 6300 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,1,0,0,0,0|1,0,1]=3 6301 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,1,0,0,0,0|2,0,0]=3 6302 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,1,0,0,0,0|2,0,0]=3 6303 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,1,0,0,0,0|1,0,0]=2 6304 B12R0.234 CCCCCOCCCNC(C)C 34a_100000182298_100000718602 [0,1,0,0,0,0|2,0,1]=4 6305 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,1,0,0,0,0|1,0,0]=2 6306 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,1,0,0,0,0|1,0,0]=2 6307 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,1,0,0,0,0|1,1,0]=3 6308 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,1,0,0,0,0|1,1,0]=3 6309 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,1,0,0,0,0|1,0,0]=2 6310 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,1,0,0,0,0|1,0,0]=2 6311 B12R0.234 CCCCCOCCNCC(C)C 34a_100015185251_100000718602 [0,1,0,0,0,0|2,0,1]=4 6312 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,1,0,0,0,0|2,0,0]=3 6313 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,1,0,0,0,0|2,0,0]=3 6314 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,1,0,0,0,0|2,0,0]=3 6315 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,1,0,0,0,0|2,0,0]=3 6316 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,1,0,0,0,0|2,0,0]=3 6317 B12R0.234 CCCCCOCCOCC(C)C 34a_100000703358_100000718602 [0,1,0,0,0,0|2,0,1]=4 6318 B12R0.234 CCCCCOCCOCC(C)C 34a_100011215259_100000210624 [0,1,0,0,0,0|2,0,1]=4 6319 B12R0.234 CCCCCOCCOCC(C)C 7a_100000703358_100000210326 [0,1,0,0,0,0|2,0,1]=4 6320 B12R0.234 CCCCCOCCOCC(C)C 7a_100011215259_100000210760 [0,1,0,0,0,0|2,0,1]=4 6321 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,1,0,0,0,0|1,0,2]=4 6322 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,1,0,0,0,0|1,0,2]=4 6323 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,1,0,0,0,0|1,0,2]=4 6324 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,1,0,0,0,0|1,0,2]=4 6325 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,1,0,0,0,0|3,0,0]=4 6326 B12R0.234 CCCCCOCCSCC(C)C 34a_200000230437_100000718602 [0,1,0,0,0,0|2,0,1]=4 6327 B12R0.234 CCCCCOCCSCC(C)C 7a_200000230437_100000210326 [0,1,0,0,0,0|2,0,1]=4 6328 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,1,0,0,0,0|2,0,1]=4 6329 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,1,0,0,0,0|2,0,1]=4 6330 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|0,0,0]=1 6331 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|0,0,0]=1 6332 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,1,0,0,0,0|1,0,1]=3 6333 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,1,0,0,0,0|1,0,1]=3 6334 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,1,0,0,0,0|2,0,0]=3 6335 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,1,0,0,0,0|1,0,0]=2 6336 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,1,0,0,0,0|1,0,0]=2 6337 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,1,0,0,0,0|1,1,0]=3 6338 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,1,0,0,0,0|1,1,0]=3 6339 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,1,0,0,0,0|1,0,0]=2 6340 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,1,0,0,0,0|1,0,0]=2 6341 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,1,0,0,0,0|2,0,0]=3 6342 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,1,0,0,0,0|2,0,0]=3 6343 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,1,0,0,0,0|2,0,1]=4 6344 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,1,0,0,0,0|2,0,1]=4 6345 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|1,0,0]=2 6346 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|1,0,0]=2 6347 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,1,0,0,0,0|1,0,1]=3 6348 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,1,0,0,0,0|1,0,1]=3 6349 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,1,0,0,0,0|1,0,1]=3 6350 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,1,0,0,0,0|1,0,1]=3 6351 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,1,0,0,0,0|1,0,0]=2 6352 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,1,0,0,0,0|1,0,0]=2 6353 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,1,0,0,0,0|1,0,0]=2 6354 B12R0.234 CCCCNCCCCOC(C)C 34a_200011216965_100000210206 [0,1,0,0,0,0|2,0,1]=4 6355 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [0,1,0,0,0,0|3,0,0]=4 6356 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,1,0,0,0,0|1,0,0]=2 6357 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,1,0,0,0,0|1,0,0]=2 6358 B12R0.234 CCCCNCCCOCC(C)C 2230a_100000205972_100000210211 [0,1,0,0,0,0|2,0,1]=4 6359 B12R0.234 CCCCNCCCOCC(C)C 34a_100000205972_100000210210 [0,1,0,0,0,0|2,0,1]=4 6360 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,1,0,0,0,0|2,0,1]=4 6361 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,1,0,0,0,0|2,0,1]=4 6362 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|1,0,0]=2 6363 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|1,0,0]=2 6364 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|1,0,0]=2 6365 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|1,0,0]=2 6366 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|1,0,0]=2 6367 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,1,0,0,0,0|1,0,1]=3 6368 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,1,0,0,0,0|1,0,1]=3 6369 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,1,0,0,0,0|1,0,1]=3 6370 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,1,0,0,0,0|1,0,1]=3 6371 B12R0.234 CCCCOCCCCNC(C)C 34a_100011521146_100000210210 [0,1,0,0,0,0|2,0,1]=4 6372 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,1,0,0,0,0|1,0,0]=2 6373 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,1,0,0,0,0|1,0,0]=2 6374 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,1,0,0,0,0|1,0,0]=2 6375 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,1,0,0,0,0|1,0,0]=2 6376 B12R0.234 CCCCOCCCCOC(C)C 34a_200000760531_100000210206 [0,1,0,0,0,0|2,0,1]=4 6377 B12R0.234 CCCCOCCCCOC(C)C 7a_200000760531_100000210206 [0,1,0,0,0,0|2,0,1]=4 6378 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,1,0,0,0,0|3,0,0]=4 6379 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,1,0,0,0,0|3,0,0]=4 6380 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,1,0,0,0,0|1,0,0]=2 6381 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,1,0,0,0,0|1,0,0]=2 6382 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,1,0,0,0,0|2,0,0]=3 6383 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,1,0,0,0,0|2,0,0]=3 6384 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,1,0,0,0,0|2,0,0]=3 6385 B12R0.234 CCCCOCCCNCC(C)C 2230a_200000211371_100000210760 [0,1,0,0,0,0|2,0,1]=4 6386 B12R0.234 CCCCOCCCNCC(C)C 270004a_200000211371_100000210432 [0,1,0,0,0,0|2,0,1]=4 6387 B12R0.234 CCCCOCCCNCC(C)C 34a_200000211371_100000210624 [0,1,0,0,0,0|2,0,1]=4 6388 B12R0.234 CCCCOCCCNCC(C)O 2230a_200000211371_100011218427 [0,1,0,0,0,0|1,0,2]=4 6389 B12R0.234 CCCCOCCCNCC(C)O 34a_200000211371_100011218427 [0,1,0,0,0,0|1,0,2]=4 6390 B12R0.234 CCCCOCCCNC[C@@H](C)O 2230a_200000211371_100009817552 [0,1,0,0,0,0|1,0,2]=4 6391 B12R0.234 CCCCOCCCNC[C@@H](C)O 34a_200000211371_100009817552 [0,1,0,0,0,0|1,0,2]=4 6392 B12R0.234 CCCCOCCCNC[N+](=O)[O-] 34a_200000211371_100000761209 [0,1,0,0,0,0|3,0,0]=4 6393 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,1,0,0,0,0|2,0,0]=3 6394 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,1,0,0,0,0|2,0,0]=3 6395 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,1,0,0,0,0|2,0,0]=3 6396 B12R0.234 CCCCOCCCOCC(C)C 34a_200011215613_100000210624 [0,1,0,0,0,0|2,0,1]=4 6397 B12R0.234 CCCCOCCCOCC(C)C 7a_200011215613_100000210760 [0,1,0,0,0,0|2,0,1]=4 6398 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,1,0,0,0,0|1,0,2]=4 6399 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,1,0,0,0,0|1,0,2]=4 6400 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,1,0,0,0,0|1,0,2]=4 6401 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,1,0,0,0,0|1,0,2]=4 6402 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,1,0,0,0,0|3,0,0]=4 6403 B12R0.234 CCCCOCCNCC=C(C)C 34a_100000718196_100000743108 [0,1,0,0,0,0|2,0,1]=4 6404 B12R0.234 CCCCOCCNCCC(C)O 2230a_200000755665_100000743108 [0,1,0,0,0,0|1,0,2]=4 6405 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,1,0,0,0,0|3,0,0]=4 6406 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000210238_100000761012 [0,1,0,0,0,0|2,0,1]=4 6407 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000753907_100000743108 [0,1,0,0,0,0|2,0,1]=4 6408 B12R0.234 CCCCOCCOCC=C(C)C 7a_100000210238_100000761012 [0,1,0,0,0,0|2,0,1]=4 6409 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,1,0,0,0,0|1,0,0]=2 6410 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,1,0,0,0,0|1,0,0]=2 6411 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,1,0,0,0,0|1,0,0]=2 6412 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,1,0,0,0,0|2,0,0]=3 6413 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,1,0,0,0,0|2,0,0]=3 6414 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,1,0,0,0,0|2,0,0]=3 6415 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,1,0,0,0,0|2,0,0]=3 6416 B12R0.234 CCCCOCCOCCC(C)Br 34a_100009893172_100000743108 [0,1,0,0,0,0|2,0,1]=4 6417 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210238_100000210312 [0,1,0,0,0,0|2,0,1]=4 6418 B12R0.234 CCCCOCCOCCC(C)C 34a_100000210254_100000743108 [0,1,0,0,0,0|2,0,1]=4 6419 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210238_100000210626 [0,1,0,0,0,0|2,0,1]=4 6420 B12R0.234 CCCCOCCOCCC(C)C 7a_100000210254_100000743108 [0,1,0,0,0,0|2,0,1]=4 6421 B12R0.234 CCCCOCCOCCC(C)O 34a_100000210238_100012276601 [0,1,0,0,0,0|1,0,2]=4 6422 B12R0.234 CCCCOCCOCCC(C)O 7a_100000210238_100012276601 [0,1,0,0,0,0|1,0,2]=4 6423 B12R0.234 CCCCOCCOCCN(C)C 7a_100000210238_100000755713 [0,1,0,0,0,0|3,0,0]=4 6424 B12R0.234 CCCCOCCOCC[C@@H](C)N 34a_100000706166_100000743108 [0,1,0,0,0,0|2,0,1]=4 6425 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,1,0,0,0,0|2,0,0]=3 6426 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000743108_100000761012 [0,1,0,0,0,0|2,0,1]=4 6427 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000761012_100000743108 [0,1,0,0,0,0|2,0,1]=4 6428 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,1,0,0,0,0|1,0,0]=2 6429 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,1,0,0,0,0|1,0,0]=2 6430 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,1,0,0,0,0|2,0,0]=3 6431 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,1,0,0,0,0|2,0,0]=3 6432 B12R0.234 CCCCOCCSCCC(C)C 62a_100000210312_100000743108 [0,1,0,0,0,0|2,0,1]=4 6433 B12R0.234 CCCCOCCSCCC(C)C 62a_100000743108_100000210312 [0,1,0,0,0,0|2,0,1]=4 6434 B12R0.234 CCCCOCCSCCC(C)O 62a_100000743108_100012276601 [0,1,0,0,0,0|1,0,2]=4 6435 B12R0.234 CCCCOCCSCCC(C)O 62a_100012276601_100000743108 [0,1,0,0,0,0|1,0,2]=4 6436 B12R0.234 CCCCOCCSCCN(C)C 62a_100000743108_100000755713 [0,1,0,0,0,0|3,0,0]=4 6437 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,1,0,0,0,0|2,0,0]=3 6438 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,1,0,0,0,0|2,0,0]=3 6439 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,1,0,0,0,0|2,0,0]=3 6440 B12R0.234 CCCCOCNCCCC(C)C 2230a_200000737386_100011995733 [0,1,0,0,0,0|2,0,1]=4 6441 B12R0.234 CCCCOCNCCCC(C)C 34a_200000737386_100011995733 [0,1,0,0,0,0|2,0,1]=4 6442 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,1,0,0,0,0|2,0,0]=3 6443 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,1,0,0,0,0|2,0,0]=3 6444 B12R0.234 CCCCOCNCCNC(=O)N 34a_100020590234_100011995733 [0,1,0,0,0,0|3,0,0]=4 6445 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,1,0,0,0,0|1,0,0]=2 6446 B12R0.234 CCCCOCOCCCC(C)C 34a_100000210774_100011995733 [0,1,0,0,0,0|2,0,1]=4 6447 B12R0.234 CCCCOCOCCC[N+](=O)[O-] 34a_200000037920_100011995733 [0,1,0,0,0,0|3,0,0]=4 6448 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,1,0,0,0,0|2,0,0]=3 6449 B12R0.234 CCCCOCOCCNC(=O)N 34a_100000181757_100011995733 [0,1,0,0,0,0|3,0,0]=4 6450 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,1,0,0,0,0|2,0,0]=3 6451 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011217483_100011995733 [0,1,0,0,0,0|2,0,1]=4 6452 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011995733_100011217483 [0,1,0,0,0,0|2,0,1]=4 6453 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,1,0,0,0,0|1,0,0]=2 6454 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,1,0,0,0,0|1,0,0]=2 6455 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,1,0,0,0,0|2,0,0]=3 6456 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,1,0,0,0,0|2,0,0]=3 6457 B12R0.234 CCCCOCSCCCC(C)C 62a_100011214892_100011995733 [0,1,0,0,0,0|2,0,1]=4 6458 B12R0.234 CCCCOCSCCCC(C)C 62a_100011995733_100011214892 [0,1,0,0,0,0|2,0,1]=4 6459 B12R0.234 CCCCOCSCCCC(C)O 62a_100011995733_200000718107 [0,1,0,0,0,0|1,0,2]=4 6460 B12R0.234 CCCCOCSCCCC(C)O 62a_200000718107_100011995733 [0,1,0,0,0,0|1,0,2]=4 6461 B12R0.234 CCCCOCSCCCN(C)C 62a_100011995733_100000757444 [0,1,0,0,0,0|3,0,0]=4 6462 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,1,0,0,0,0|2,0,0]=3 6463 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,1,0,0,0,0|2,0,0]=3 6464 B12R0.234 CCCCOCSCCNC(=O)N 62a_100011995733_200000034859 [0,1,0,0,0,0|3,0,0]=4 6465 B12R0.234 CCCCOCSCCNC(=O)N 62a_200000034859_100011995733 [0,1,0,0,0,0|3,0,0]=4 6466 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,1,0,0,0,0|2,0,0]=3 6467 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,1,0,0,0,0|2,0,0]=3 6468 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [0,1,0,0,0,0|3,0,0]=4 6469 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [0,1,0,0,0,0|3,0,0]=4 6470 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,1,0,0,0,0|2,0,1]=4 6471 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,1,0,0,0,0|2,0,1]=4 6472 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|1,0,0]=2 6473 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|1,0,0]=2 6474 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,1,0,0,0,0|1,0,1]=3 6475 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,1,0,0,0,0|1,0,1]=3 6476 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,1,0,0,0,0|1,0,0]=2 6477 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,1,0,0,0,0|1,0,0]=2 6478 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [0,1,0,0,0,0|3,0,0]=4 6479 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,1,0,0,0,0|1,0,0]=2 6480 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,1,0,0,0,0|1,0,0]=2 6481 B12R0.234 CCCCSCCNCC=C(C)C 2230a_100025743550_100000761012 [0,1,0,0,0,0|2,0,1]=4 6482 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,1,0,0,0,0|2,0,0]=3 6483 B12R0.234 CCCCSCCNCCC(C)C 2230a_100025743550_100000210312 [0,1,0,0,0,0|2,0,1]=4 6484 B12R0.234 CCCCSCCNCCC(C)C 269862a_100025743550_100000185833 [0,1,0,0,0,0|2,0,1]=4 6485 B12R0.234 CCCCSCCNCCC(C)O 2230a_100025743550_100012276601 [0,1,0,0,0,0|1,0,2]=4 6486 B12R0.234 CCCCSCCOCC=C(C)C 34a_200000230436_100000761012 [0,1,0,0,0,0|2,0,1]=4 6487 B12R0.234 CCCCSCCOCC=C(C)C 7a_200000230436_100000761012 [0,1,0,0,0,0|2,0,1]=4 6488 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,1,0,0,0,0|1,0,0]=2 6489 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,1,0,0,0,0|2,0,0]=3 6490 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,1,0,0,0,0|2,0,0]=3 6491 B12R0.234 CCCCSCCOCCC(C)C 34a_200000230436_100000210312 [0,1,0,0,0,0|2,0,1]=4 6492 B12R0.234 CCCCSCCOCCC(C)C 7a_200000230436_100000210626 [0,1,0,0,0,0|2,0,1]=4 6493 B12R0.234 CCCCSCCOCCC(C)O 34a_200000230436_100012276601 [0,1,0,0,0,0|1,0,2]=4 6494 B12R0.234 CCCCSCCOCCC(C)O 7a_200000230436_100012276601 [0,1,0,0,0,0|1,0,2]=4 6495 B12R0.234 CCCCSCCOCCN(C)C 7a_200000230436_100000755713 [0,1,0,0,0,0|3,0,0]=4 6496 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,1,0,0,0,0|2,0,0]=3 6497 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,1,0,0,0,0|2,0,0]=3 6498 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,1,0,0,0,0|2,0,0]=3 6499 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,1,0,0,0,0|1,0,1]=3 6500 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,1,0,0,0,0|1,0,1]=3 6501 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,1,0,0,0,0|1,0,0]=2 6502 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,1,0,0,0,0|1,0,0]=2 6503 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,1,0,0,0,0|2,0,1]=4 6504 B12R0.234 CCCOCCCCCNC(C)C 34a_100011629493_100000210303 [0,1,0,0,0,0|2,0,1]=4 6505 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,1,0,0,0,0|1,0,0]=2 6506 B12R0.234 CCCOCCCNCC=C(C)C 2230a_100011217757_100000761012 [0,1,0,0,0,0|2,0,1]=4 6507 B12R0.234 CCCOCCCNCC=C(C)C 34a_100011217757_100000761012 [0,1,0,0,0,0|2,0,1]=4 6508 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,1,0,0,0,0|2,0,0]=3 6509 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,1,0,0,0,0|2,0,0]=3 6510 B12R0.234 CCCOCCCNCCC(C)C 2230a_100011217757_100000210312 [0,1,0,0,0,0|2,0,1]=4 6511 B12R0.234 CCCOCCCNCCC(C)C 269862a_100011217757_100000185833 [0,1,0,0,0,0|2,0,1]=4 6512 B12R0.234 CCCOCCCNCCC(C)C 34a_100011217757_100000210312 [0,1,0,0,0,0|2,0,1]=4 6513 B12R0.234 CCCOCCCNCCC(C)O 2230a_100011217757_100012276601 [0,1,0,0,0,0|1,0,2]=4 6514 B12R0.234 CCCOCCCNCCC(C)O 34a_100011217757_100012276601 [0,1,0,0,0,0|1,0,2]=4 6515 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,1,0,0,0,0|2,0,0]=3 6516 B12R0.234 CCCOCCNCCC=C(C)C 2230a_100161115042_100011217483 [0,1,0,0,0,0|2,0,1]=4 6517 B12R0.234 CCCOCCNCCC=C(C)C 34a_100161115042_100011217483 [0,1,0,0,0,0|2,0,1]=4 6518 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,1,0,0,0,0|1,0,0]=2 6519 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,1,0,0,0,0|2,0,0]=3 6520 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,1,0,0,0,0|2,0,0]=3 6521 B12R0.234 CCCOCCNCCCC(C)C 2230a_100161115042_100011214892 [0,1,0,0,0,0|2,0,1]=4 6522 B12R0.234 CCCOCCNCCCC(C)C 2230a_200000737386_100011215938 [0,1,0,0,0,0|2,0,1]=4 6523 B12R0.234 CCCOCCNCCCC(C)C 34a_100161115042_100011214892 [0,1,0,0,0,0|2,0,1]=4 6524 B12R0.234 CCCOCCNCCCC(C)C 34a_200000737386_100011215938 [0,1,0,0,0,0|2,0,1]=4 6525 B12R0.234 CCCOCCNCCCC(C)O 2230a_100161115042_200000718107 [0,1,0,0,0,0|1,0,2]=4 6526 B12R0.234 CCCOCCNCCCC(C)O 34a_100161115042_200000718107 [0,1,0,0,0,0|1,0,2]=4 6527 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,1,0,0,0,0|2,0,0]=3 6528 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,1,0,0,0,0|2,0,0]=3 6529 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,1,0,0,0,0|2,0,0]=3 6530 B12R0.234 CCCOCCNCCNC(=O)N 2230a_100161115042_200000034859 [0,1,0,0,0,0|3,0,0]=4 6531 B12R0.234 CCCOCCNCCNC(=O)N 34a_100020590234_100011215938 [0,1,0,0,0,0|3,0,0]=4 6532 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,1,0,0,0,0|2,0,0]=3 6533 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [0,1,0,0,0,0|3,0,0]=4 6534 B12R0.234 CCCOCCOCCC=C(C)C 34a_100000752267_100011217483 [0,1,0,0,0,0|2,0,1]=4 6535 B12R0.234 CCCOCCOCCC=C(C)C 7a_100000752267_100011217483 [0,1,0,0,0,0|2,0,1]=4 6536 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,1,0,0,0,0|1,0,0]=2 6537 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,1,0,0,0,0|1,0,0]=2 6538 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,1,0,0,0,0|1,0,0]=2 6539 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,1,0,0,0,0|1,0,0]=2 6540 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,1,0,0,0,0|2,0,0]=3 6541 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,1,0,0,0,0|2,0,0]=3 6542 B12R0.234 CCCOCCOCCCC(C)C 34a_100000210774_100011215938 [0,1,0,0,0,0|2,0,1]=4 6543 B12R0.234 CCCOCCOCCCC(C)C 34a_100000752267_100011214892 [0,1,0,0,0,0|2,0,1]=4 6544 B12R0.234 CCCOCCOCCCC(C)C 7a_100000210774_100011215938 [0,1,0,0,0,0|2,0,1]=4 6545 B12R0.234 CCCOCCOCCCC(C)C 7a_100000752267_100011214892 [0,1,0,0,0,0|2,0,1]=4 6546 B12R0.234 CCCOCCOCCCC(C)O 34a_100000752267_200000718107 [0,1,0,0,0,0|1,0,2]=4 6547 B12R0.234 CCCOCCOCCCC(C)O 7a_100000752267_200000718107 [0,1,0,0,0,0|1,0,2]=4 6548 B12R0.234 CCCOCCOCCCN(C)C 7a_100000752267_100000757444 [0,1,0,0,0,0|3,0,0]=4 6549 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100011215938 [0,1,0,0,0,0|3,0,0]=4 6550 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,1,0,0,0,0|2,0,0]=3 6551 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,1,0,0,0,0|2,0,0]=3 6552 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,1,0,0,0,0|2,0,0]=3 6553 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,1,0,0,0,0|2,0,0]=3 6554 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,1,0,0,0,0|2,0,0]=3 6555 B12R0.234 CCCOCCOCCNC(=O)N 34a_100000181757_100011215938 [0,1,0,0,0,0|3,0,0]=4 6556 B12R0.234 CCCOCCOCCNC(=O)N 7a_100000752267_200000034859 [0,1,0,0,0,0|3,0,0]=4 6557 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,1,0,0,0,0|2,0,0]=3 6558 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,1,0,0,0,0|2,0,0]=3 6559 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,1,0,0,0,0|2,0,0]=3 6560 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [0,1,0,0,0,0|3,0,0]=4 6561 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [0,1,0,0,0,0|3,0,0]=4 6562 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [0,1,0,0,0,0|3,0,0]=4 6563 B12R0.234 CCCOCCSCCC=C(C)C 62a_100011215938_100011217483 [0,1,0,0,0,0|2,0,1]=4 6564 B12R0.234 CCCOCCSCCC=C(C)C 62a_100011217483_100011215938 [0,1,0,0,0,0|2,0,1]=4 6565 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,1,0,0,0,0|1,0,0]=2 6566 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,1,0,0,0,0|1,0,0]=2 6567 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,1,0,0,0,0|2,0,0]=3 6568 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,1,0,0,0,0|2,0,0]=3 6569 B12R0.234 CCCOCCSCCCC(C)C 62a_100011214892_100011215938 [0,1,0,0,0,0|2,0,1]=4 6570 B12R0.234 CCCOCCSCCCC(C)C 62a_100011215938_100011214892 [0,1,0,0,0,0|2,0,1]=4 6571 B12R0.234 CCCOCCSCCCC(C)O 62a_100011215938_200000718107 [0,1,0,0,0,0|1,0,2]=4 6572 B12R0.234 CCCOCCSCCCC(C)O 62a_200000718107_100011215938 [0,1,0,0,0,0|1,0,2]=4 6573 B12R0.234 CCCOCCSCCCN(C)C 62a_100011215938_100000757444 [0,1,0,0,0,0|3,0,0]=4 6574 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,1,0,0,0,0|2,0,0]=3 6575 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,1,0,0,0,0|2,0,0]=3 6576 B12R0.234 CCCOCCSCCNC(=O)N 62a_100011215938_200000034859 [0,1,0,0,0,0|3,0,0]=4 6577 B12R0.234 CCCOCCSCCNC(=O)N 62a_200000034859_100011215938 [0,1,0,0,0,0|3,0,0]=4 6578 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,1,0,0,0,0|2,0,0]=3 6579 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,1,0,0,0,0|2,0,0]=3 6580 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [0,1,0,0,0,0|3,0,0]=4 6581 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [0,1,0,0,0,0|3,0,0]=4 6582 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,1,0,0,0,0|2,0,1]=4 6583 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,1,0,0,0,0|2,0,1]=4 6584 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,1,0,0,0,0|1,0,0]=2 6585 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,1,0,0,0,0|1,0,0]=2 6586 B12R0.234 CCCSCCNCCC=C(C)C 2230a_100020603323_100011217483 [0,1,0,0,0,0|2,0,1]=4 6587 B12R0.234 CCCSCCNCCCC(C)C 2230a_100020603323_100011214892 [0,1,0,0,0,0|2,0,1]=4 6588 B12R0.234 CCCSCCNCCCC(C)O 2230a_100020603323_200000718107 [0,1,0,0,0,0|1,0,2]=4 6589 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,1,0,0,0,0|2,0,0]=3 6590 B12R0.234 CCCSCCNCCNC(=O)N 2230a_100020603323_200000034859 [0,1,0,0,0,0|3,0,0]=4 6591 B12R0.234 CCCSCCOCCC=C(C)C 34a_200000230433_100011217483 [0,1,0,0,0,0|2,0,1]=4 6592 B12R0.234 CCCSCCOCCC=C(C)C 7a_200000230433_100011217483 [0,1,0,0,0,0|2,0,1]=4 6593 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,1,0,0,0,0|1,0,0]=2 6594 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,1,0,0,0,0|1,0,0]=2 6595 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,1,0,0,0,0|2,0,0]=3 6596 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,1,0,0,0,0|2,0,0]=3 6597 B12R0.234 CCCSCCOCCCC(C)C 34a_200000230433_100011214892 [0,1,0,0,0,0|2,0,1]=4 6598 B12R0.234 CCCSCCOCCCC(C)C 7a_200000230433_100011214892 [0,1,0,0,0,0|2,0,1]=4 6599 B12R0.234 CCCSCCOCCCC(C)O 34a_200000230433_200000718107 [0,1,0,0,0,0|1,0,2]=4 6600 B12R0.234 CCCSCCOCCCC(C)O 7a_200000230433_200000718107 [0,1,0,0,0,0|1,0,2]=4 6601 B12R0.234 CCCSCCOCCCN(C)C 7a_200000230433_100000757444 [0,1,0,0,0,0|3,0,0]=4 6602 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,1,0,0,0,0|2,0,0]=3 6603 B12R0.234 CCCSCCOCCNC(=O)N 7a_200000230433_200000034859 [0,1,0,0,0,0|3,0,0]=4 6604 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,1,0,0,0,0|2,0,0]=3 6605 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,1,0,0,0,0|2,0,0]=3 6606 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,1,0,0,0,0|2,0,0]=3 6607 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,1,0,0,0,0|2,0,0]=3 6608 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [0,1,0,0,0,0|3,0,0]=4 6609 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [0,1,0,0,0,0|3,0,0]=4 6610 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,1,0,0,0,0|1,0,0]=2 6611 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,1,0,0,0,0|1,0,0]=2 6612 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,1,0,0,0,0|3,0,0]=4 6613 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,1,0,0,0,0|1,0,1]=3 6614 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,1,0,0,0,0|1,0,1]=3 6615 B12R0.234 CCOCCCNCCC=C(C)C 2230a_100000210961_100011217483 [0,1,0,0,0,0|2,0,1]=4 6616 B12R0.234 CCOCCCNCCC=C(C)C 34a_100000210961_100011217483 [0,1,0,0,0,0|2,0,1]=4 6617 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,1,0,0,0,0|1,0,0]=2 6618 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,1,0,0,0,0|2,0,0]=3 6619 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,1,0,0,0,0|2,0,0]=3 6620 B12R0.234 CCOCCCNCCCC(C)C 2230a_100000210961_100011214892 [0,1,0,0,0,0|2,0,1]=4 6621 B12R0.234 CCOCCCNCCCC(C)C 2230a_200000737386_100012232248 [0,1,0,0,0,0|2,0,1]=4 6622 B12R0.234 CCOCCCNCCCC(C)C 34a_100000210961_100011214892 [0,1,0,0,0,0|2,0,1]=4 6623 B12R0.234 CCOCCCNCCCC(C)C 34a_200000737386_100012232248 [0,1,0,0,0,0|2,0,1]=4 6624 B12R0.234 CCOCCCNCCCC(C)O 2230a_100000210961_200000718107 [0,1,0,0,0,0|1,0,2]=4 6625 B12R0.234 CCOCCCNCCCC(C)O 34a_100000210961_200000718107 [0,1,0,0,0,0|1,0,2]=4 6626 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,1,0,0,0,0|2,0,0]=3 6627 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,1,0,0,0,0|2,0,0]=3 6628 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,1,0,0,0,0|2,0,0]=3 6629 B12R0.234 CCOCCCNCCNC(=O)N 2230a_100000210961_200000034859 [0,1,0,0,0,0|3,0,0]=4 6630 B12R0.234 CCOCCCNCCNC(=O)N 34a_100020590234_100012232248 [0,1,0,0,0,0|3,0,0]=4 6631 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,1,0,0,0,0|2,0,0]=3 6632 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [0,1,0,0,0,0|3,0,0]=4 6633 B12R0.234 CCOCCCOCCC=C(C)C 34a_100000757476_100011217483 [0,1,0,0,0,0|2,0,1]=4 6634 B12R0.234 CCOCCCOCCC=C(C)C 7a_100000757476_100011217483 [0,1,0,0,0,0|2,0,1]=4 6635 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,1,0,0,0,0|1,0,0]=2 6636 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,1,0,0,0,0|1,0,0]=2 6637 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,1,0,0,0,0|1,0,0]=2 6638 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,1,0,0,0,0|1,0,0]=2 6639 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,1,0,0,0,0|2,0,0]=3 6640 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,1,0,0,0,0|2,0,0]=3 6641 B12R0.234 CCOCCCOCCCC(C)C 34a_100000210774_100012232248 [0,1,0,0,0,0|2,0,1]=4 6642 B12R0.234 CCOCCCOCCCC(C)C 34a_100000757476_100011214892 [0,1,0,0,0,0|2,0,1]=4 6643 B12R0.234 CCOCCCOCCCC(C)C 7a_100000210774_100012232248 [0,1,0,0,0,0|2,0,1]=4 6644 B12R0.234 CCOCCCOCCCC(C)C 7a_100000757476_100011214892 [0,1,0,0,0,0|2,0,1]=4 6645 B12R0.234 CCOCCCOCCCC(C)O 34a_100000757476_200000718107 [0,1,0,0,0,0|1,0,2]=4 6646 B12R0.234 CCOCCCOCCCC(C)O 7a_100000757476_200000718107 [0,1,0,0,0,0|1,0,2]=4 6647 B12R0.234 CCOCCCOCCCN(C)C 7a_100000757476_100000757444 [0,1,0,0,0,0|3,0,0]=4 6648 B12R0.234 CCOCCCOCCC[N+](=O)[O-] 34a_200000037920_100012232248 [0,1,0,0,0,0|3,0,0]=4 6649 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,1,0,0,0,0|2,0,0]=3 6650 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,1,0,0,0,0|2,0,0]=3 6651 B12R0.234 CCOCCCOCCNC(=O)N 34a_100000181757_100012232248 [0,1,0,0,0,0|3,0,0]=4 6652 B12R0.234 CCOCCCOCCNC(=O)N 7a_100000757476_200000034859 [0,1,0,0,0,0|3,0,0]=4 6653 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,1,0,0,0,0|2,0,0]=3 6654 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,1,0,0,0,0|2,0,0]=3 6655 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [0,1,0,0,0,0|3,0,0]=4 6656 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [0,1,0,0,0,0|3,0,0]=4 6657 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [0,1,0,0,0,0|3,0,0]=4 6658 B12R0.234 CCOCCCSCCC=C(C)C 62a_100011217483_100012232248 [0,1,0,0,0,0|2,0,1]=4 6659 B12R0.234 CCOCCCSCCC=C(C)C 62a_100012232248_100011217483 [0,1,0,0,0,0|2,0,1]=4 6660 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,1,0,0,0,0|1,0,0]=2 6661 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,1,0,0,0,0|1,0,0]=2 6662 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,1,0,0,0,0|2,0,0]=3 6663 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,1,0,0,0,0|2,0,0]=3 6664 B12R0.234 CCOCCCSCCCC(C)C 62a_100011214892_100012232248 [0,1,0,0,0,0|2,0,1]=4 6665 B12R0.234 CCOCCCSCCCC(C)C 62a_100012232248_100011214892 [0,1,0,0,0,0|2,0,1]=4 6666 B12R0.234 CCOCCCSCCCC(C)O 62a_100012232248_200000718107 [0,1,0,0,0,0|1,0,2]=4 6667 B12R0.234 CCOCCCSCCCC(C)O 62a_200000718107_100012232248 [0,1,0,0,0,0|1,0,2]=4 6668 B12R0.234 CCOCCCSCCCN(C)C 62a_100012232248_100000757444 [0,1,0,0,0,0|3,0,0]=4 6669 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,1,0,0,0,0|2,0,0]=3 6670 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,1,0,0,0,0|2,0,0]=3 6671 B12R0.234 CCOCCCSCCNC(=O)N 62a_100012232248_200000034859 [0,1,0,0,0,0|3,0,0]=4 6672 B12R0.234 CCOCCCSCCNC(=O)N 62a_200000034859_100012232248 [0,1,0,0,0,0|3,0,0]=4 6673 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,1,0,0,0,0|2,0,0]=3 6674 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,1,0,0,0,0|2,0,0]=3 6675 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [0,1,0,0,0,0|3,0,0]=4 6676 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [0,1,0,0,0,0|3,0,0]=4 6677 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,1,0,0,0,0|1,0,0]=2 6678 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,1,0,0,0,0|2,0,0]=3 6679 B12R0.234 CCOCCNCCCCC(C)C 2230a_102516460346_100011216152 [0,1,0,0,0,0|2,0,1]=4 6680 B12R0.234 CCOCCNCCCCC(C)C 34a_102516460346_100011216152 [0,1,0,0,0,0|2,0,1]=4 6681 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,1,0,0,0,0|2,0,0]=3 6682 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,1,0,0,0,0|2,0,0]=3 6683 B12R0.234 CCOCCNCCCOC(=S)C 2230a_102516460346_200135323944 [0,1,0,0,0,0|2,1,0]=4 6684 B12R0.234 CCOCCNCCCOC(=S)C 34a_102516460346_200135323944 [0,1,0,0,0,0|2,1,0]=4 6685 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,1,0,0,0,0|2,0,0]=3 6686 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,1,0,0,0,0|2,0,0]=3 6687 B12R0.234 CCOCCNCCOCC(=O)N 2230a_102516460346_100000076697 [0,1,0,0,0,0|3,0,0]=4 6688 B12R0.234 CCOCCNCCOCC(=O)N 34a_102516460346_100000076697 [0,1,0,0,0,0|3,0,0]=4 6689 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,1,0,0,0,0|3,0,0]=4 6690 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,1,0,0,0,0|1,0,0]=2 6691 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,1,0,0,0,0|1,0,0]=2 6692 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,1,0,0,0,0|2,0,0]=3 6693 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,1,0,0,0,0|2,0,0]=3 6694 B12R0.234 CCOCCOCCCCC(C)C 34a_100000210136_100011216152 [0,1,0,0,0,0|2,0,1]=4 6695 B12R0.234 CCOCCOCCCCC(C)C 34a_100011214890_100000210147 [0,1,0,0,0,0|2,0,1]=4 6696 B12R0.234 CCOCCOCCCCC(C)C 7a_100000210136_100011216152 [0,1,0,0,0,0|2,0,1]=4 6697 B12R0.234 CCOCCOCCCCC(C)C 7a_100011214890_100011215890 [0,1,0,0,0,0|2,0,1]=4 6698 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210147 [0,1,0,0,0,0|3,0,0]=4 6699 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215890 [0,1,0,0,0,0|3,0,0]=4 6700 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,1,0,0,0,0|2,0,0]=3 6701 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,1,0,0,0,0|2,0,0]=3 6702 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,1,0,0,0,0|2,0,0]=3 6703 B12R0.234 CCOCCOCCCOC(=S)C 34a_100000210136_200135323944 [0,1,0,0,0,0|2,1,0]=4 6704 B12R0.234 CCOCCOCCCOC(=S)C 7a_100000210136_200135323944 [0,1,0,0,0,0|2,1,0]=4 6705 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,1,0,0,0,0|2,0,0]=3 6706 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,1,0,0,0,0|2,0,0]=3 6707 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100000711301_100011211534 [0,1,0,0,0,0|3,0,0]=4 6708 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100102712874_100000747473 [0,1,0,0,0,0|3,0,0]=4 6709 B12R0.234 CCOCCOCCNCC(=O)N 34a_100102712874_100000187820 [0,1,0,0,0,0|3,0,0]=4 6710 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,1,0,0,0,0|3,0,0]=4 6711 B12R0.234 CCOCCOCCNCC(=O)[O-] 34a_100102712874_100020667443 [0,1,0,0,0,0|3,0,0]=4 6712 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,1,0,0,0,0|2,0,0]=3 6713 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210136_100000076697 [0,1,0,0,0,0|3,0,0]=4 6714 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210240_100000187820 [0,1,0,0,0,0|3,0,0]=4 6715 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210136_100000076697 [0,1,0,0,0,0|3,0,0]=4 6716 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210240_100000187820 [0,1,0,0,0,0|3,0,0]=4 6717 B12R0.234 CCOCCOCCOCC(=O)[O-] 34a_100000210240_100020667443 [0,1,0,0,0,0|3,0,0]=4 6718 B12R0.234 CCOCCOCCSCC(=O)N 62a_100000747473_100011211534 [0,1,0,0,0,0|3,0,0]=4 6719 B12R0.234 CCOCCOCCSCC(=O)N 62a_100011211534_100000747473 [0,1,0,0,0,0|3,0,0]=4 6720 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100011211534_100020667443 [0,1,0,0,0,0|3,0,0]=4 6721 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100020667443_100011211534 [0,1,0,0,0,0|3,0,0]=4 6722 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,1,0,0,0,0|1,0,0]=2 6723 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,1,0,0,0,0|1,0,0]=2 6724 B12R0.234 CCOCCSCCCCC(C)C 62a_100000210147_100011216152 [0,1,0,0,0,0|2,0,1]=4 6725 B12R0.234 CCOCCSCCCCC(C)C 62a_100011216152_100011215890 [0,1,0,0,0,0|2,0,1]=4 6726 B12R0.234 CCOCCSCCCCN(C)C 62a_100000210147_100000690147 [0,1,0,0,0,0|3,0,0]=4 6727 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,1,0,0,0,0|2,0,0]=3 6728 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,1,0,0,0,0|2,0,0]=3 6729 B12R0.234 CCOCCSCCCOC(=S)C 62a_100000210147_200135323944 [0,1,0,0,0,0|2,1,0]=4 6730 B12R0.234 CCOCCSCCCOC(=S)C 62a_200135323944_100011215890 [0,1,0,0,0,0|2,1,0]=4 6731 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,1,0,0,0,0|2,0,0]=3 6732 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,1,0,0,0,0|2,0,0]=3 6733 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000076697_100011215890 [0,1,0,0,0,0|3,0,0]=4 6734 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000210147_100000076697 [0,1,0,0,0,0|3,0,0]=4 6735 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,1,0,0,0,0|2,0,0]=3 6736 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,1,0,0,0,0|2,0,0]=3 6737 B12R0.234 CCOCSCCCCCC(C)C 62a_100000210682_100000739092 [0,1,0,0,0,0|2,0,1]=4 6738 B12R0.234 CCOCSCCCCCC(C)C 62a_100000739092_100000210682 [0,1,0,0,0,0|2,0,1]=4 6739 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,1,0,0,0,0|2,0,0]=3 6740 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,1,0,0,0,0|2,0,0]=3 6741 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,1,0,0,0,0|2,0,0]=3 6742 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,1,0,0,0,0|2,0,0]=3 6743 B12R0.234 CCOCSCOCCOC(=O)C 62a_100000076355_100000739092 [0,1,0,0,0,0|3,0,0]=4 6744 B12R0.234 CCOCSCOCCOC(=O)C 62a_100000739092_100000076355 [0,1,0,0,0,0|3,0,0]=4 6745 B12R0.234 CCSCCCOCCC=C(C)C 34a_100011216438_100011217483 [0,1,0,0,0,0|2,0,1]=4 6746 B12R0.234 CCSCCCOCCC=C(C)C 7a_100011216438_100011217483 [0,1,0,0,0,0|2,0,1]=4 6747 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,1,0,0,0,0|1,0,0]=2 6748 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,1,0,0,0,0|1,0,0]=2 6749 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,1,0,0,0,0|2,0,0]=3 6750 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,1,0,0,0,0|2,0,0]=3 6751 B12R0.234 CCSCCCOCCCC(C)C 34a_100011216438_100011214892 [0,1,0,0,0,0|2,0,1]=4 6752 B12R0.234 CCSCCCOCCCC(C)C 7a_100011216438_100011214892 [0,1,0,0,0,0|2,0,1]=4 6753 B12R0.234 CCSCCCOCCCC(C)O 34a_100011216438_200000718107 [0,1,0,0,0,0|1,0,2]=4 6754 B12R0.234 CCSCCCOCCCC(C)O 7a_100011216438_200000718107 [0,1,0,0,0,0|1,0,2]=4 6755 B12R0.234 CCSCCCOCCCN(C)C 7a_100011216438_100000757444 [0,1,0,0,0,0|3,0,0]=4 6756 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,1,0,0,0,0|2,0,0]=3 6757 B12R0.234 CCSCCCOCCNC(=O)N 7a_100011216438_200000034859 [0,1,0,0,0,0|3,0,0]=4 6758 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,1,0,0,0,0|2,0,0]=3 6759 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,1,0,0,0,0|2,0,0]=3 6760 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [0,1,0,0,0,0|3,0,0]=4 6761 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [0,1,0,0,0,0|3,0,0]=4 6762 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,1,0,0,0,0|2,0,0]=3 6763 B12R0.234 CCSCCNCCCCC(C)C 2230a_100000106463_100011216152 [0,1,0,0,0,0|2,0,1]=4 6764 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,1,0,0,0,0|2,0,0]=3 6765 B12R0.234 CCSCCNCCCOC(=S)C 2230a_100000106463_200135323944 [0,1,0,0,0,0|2,1,0]=4 6766 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,1,0,0,0,0|2,0,0]=3 6767 B12R0.234 CCSCCNCCOCC(=O)N 2230a_100000106463_100000076697 [0,1,0,0,0,0|3,0,0]=4 6768 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,1,0,0,0,0|3,0,0]=4 6769 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,1,0,0,0,0|1,0,0]=2 6770 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,1,0,0,0,0|1,0,0]=2 6771 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,1,0,0,0,0|2,0,0]=3 6772 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,1,0,0,0,0|2,0,0]=3 6773 B12R0.234 CCSCCOCCCCC(C)C 34a_100000212035_100011216152 [0,1,0,0,0,0|2,0,1]=4 6774 B12R0.234 CCSCCOCCCCC(C)C 34a_100011214890_100000757381 [0,1,0,0,0,0|2,0,1]=4 6775 B12R0.234 CCSCCOCCCCC(C)C 7a_100000212035_100011216152 [0,1,0,0,0,0|2,0,1]=4 6776 B12R0.234 CCSCCOCCCCC(C)C 7a_100011214890_100000757381 [0,1,0,0,0,0|2,0,1]=4 6777 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757381 [0,1,0,0,0,0|3,0,0]=4 6778 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757381 [0,1,0,0,0,0|3,0,0]=4 6779 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,1,0,0,0,0|2,0,0]=3 6780 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,1,0,0,0,0|2,0,0]=3 6781 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,1,0,0,0,0|2,0,0]=3 6782 B12R0.234 CCSCCOCCCOC(=S)C 34a_100000212035_200135323944 [0,1,0,0,0,0|2,1,0]=4 6783 B12R0.234 CCSCCOCCCOC(=S)C 7a_100000212035_200135323944 [0,1,0,0,0,0|2,1,0]=4 6784 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,1,0,0,0,0|2,0,0]=3 6785 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,1,0,0,0,0|2,0,0]=3 6786 B12R0.234 CCSCCOCCOCC(=O)N 34a_100000212035_100000076697 [0,1,0,0,0,0|3,0,0]=4 6787 B12R0.234 CCSCCOCCOCC(=O)N 7a_100000212035_100000076697 [0,1,0,0,0,0|3,0,0]=4 6788 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,1,0,0,0,0|1,0,0]=2 6789 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,1,0,0,0,0|1,0,0]=2 6790 B12R0.234 CCSCCSCCCCC(C)C 62a_100000757381_100011216152 [0,1,0,0,0,0|2,0,1]=4 6791 B12R0.234 CCSCCSCCCCC(C)C 62a_100011216152_100000757381 [0,1,0,0,0,0|2,0,1]=4 6792 B12R0.234 CCSCCSCCCCN(C)C 62a_100000757381_100000690147 [0,1,0,0,0,0|3,0,0]=4 6793 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,1,0,0,0,0|2,0,0]=3 6794 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,1,0,0,0,0|2,0,0]=3 6795 B12R0.234 CCSCCSCCCOC(=S)C 62a_100000757381_200135323944 [0,1,0,0,0,0|2,1,0]=4 6796 B12R0.234 CCSCCSCCCOC(=S)C 62a_200135323944_100000757381 [0,1,0,0,0,0|2,1,0]=4 6797 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,1,0,0,0,0|2,0,0]=3 6798 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,1,0,0,0,0|2,0,0]=3 6799 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000076697_100000757381 [0,1,0,0,0,0|3,0,0]=4 6800 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000757381_100000076697 [0,1,0,0,0,0|3,0,0]=4 6801 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,1,0,0,0,0|2,0,0]=3 6802 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,1,0,0,0,0|2,0,0]=3 6803 B12R0.234 CN(C)CCCCSCCCCF 62a_100000729493_100000690147 [0,1,0,0,0,0|3,0,0]=4 6804 B12R0.234 CN(C)CCCCSCCCCO 62a_100000210776_100000690147 [0,1,0,0,0,0|3,0,0]=4 6805 B12R0.234 CN(C)CCCOCCCCCBr 7a_100000746331_100000757444 [0,1,0,0,0,0|3,0,0]=4 6806 B12R0.234 CN(C)CCCOCCCCCCl 7a_100000746330_100000757444 [0,1,0,0,0,0|3,0,0]=4 6807 B12R0.234 CN(C)CCCOCCCCCI 7a_200012148887_100000757444 [0,1,0,0,0,0|3,0,0]=4 6808 B12R0.234 CN(C)CCCSCCCCCF 62a_100000729378_100000757444 [0,1,0,0,0,0|3,0,0]=4 6809 B12R0.234 CN(C)CCCSCCCCCO 62a_100000746330_100000757444 [0,1,0,0,0,0|3,0,0]=4 6810 B12R0.234 CN(C)CCOCCCCCCBr 7a_100011215345_100000755713 [0,1,0,0,0,0|3,0,0]=4 6811 B12R0.234 CN(C)CCOCCCCCCCl 7a_100000766143_100000755713 [0,1,0,0,0,0|3,0,0]=4 6812 B12R0.234 CN(C)CCOCCCCCCF 7a_100000732779_100000755713 [0,1,0,0,0,0|3,0,0]=4 6813 B12R0.234 CN(C)CCSCCCCCCF 62a_100015922095_100000755713 [0,1,0,0,0,0|3,0,0]=4 6814 B12R0.234 CN(C)CCSCCCCCCO 62a_100000766143_100000755713 [0,1,0,0,0,0|3,0,0]=4 6815 B12R0.234 CNCCCCCOCC=C(C)C 34a_100000722520_100000761012 [0,1,0,0,0,0|2,0,1]=4 6816 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,1,0,0,0,0|2,0,0]=3 6817 B12R0.234 CNCCCCCOCCC(C)C 34a_100000722520_100000210312 [0,1,0,0,0,0|2,0,1]=4 6818 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,1,0,0,0,0|1,0,2]=4 6819 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,1,0,0,0,0|2,0,0]=3 6820 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,1,0,0,0,0|1,0,0]=2 6821 B12R0.234 CNCCCOCCCCC(C)C 34a_100000213112_100011216152 [0,1,0,0,0,0|2,0,1]=4 6822 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,1,0,0,0,0|2,0,0]=3 6823 B12R0.234 CNCCCOCCCOC(=S)C 34a_100000213112_200135323944 [0,1,0,0,0,0|2,1,0]=4 6824 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,1,0,0,0,0|2,0,0]=3 6825 B12R0.234 CNCCCOCCOCC(=O)N 34a_100000213112_100000076697 [0,1,0,0,0,0|3,0,0]=4 6826 B12R0.234 CNCCOCCOCCC(=O)N 34a_100000228057_100000731001 [0,1,0,0,0,0|3,0,0]=4 6827 B12R0.234 CNCCOCCOCOC(=O)C 34a_100000228057_100009813279 [0,1,0,0,0,0|3,0,0]=4 6828 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,1,0,0,0,0|2,0,0]=3 6829 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|2,0,0]=3 6830 B12R0.234 COCCCCCCNCC(C)C 2230a_100000210953_100011998445 [0,1,0,0,0,0|2,0,1]=4 6831 B12R0.234 COCCCCCCNCC(C)C 34a_100000210953_100011998445 [0,1,0,0,0,0|2,0,1]=4 6832 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,1,0,0,0,0|1,0,2]=4 6833 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,1,0,0,0,0|1,0,2]=4 6834 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,1,0,0,0,0|1,0,0]=2 6835 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,1,0,0,0,0|2,0,0]=3 6836 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,1,0,0,0,0|2,0,0]=3 6837 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,1,0,0,0,0|2,0,0]=3 6838 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [0,1,0,0,0,0|2,0,1]=4 6839 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [0,1,0,0,0,0|2,0,1]=4 6840 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [0,1,0,0,0,0|2,0,1]=4 6841 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [0,1,0,0,0,0|2,0,1]=4 6842 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [0,1,0,0,0,0|2,0,1]=4 6843 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,1,0,0,0,0|1,0,2]=4 6844 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,1,0,0,0,0|1,0,2]=4 6845 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [0,1,0,0,0,0|2,0,1]=4 6846 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [0,1,0,0,0,0|2,0,1]=4 6847 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,1,0,0,0,0|1,0,2]=4 6848 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,1,0,0,0,0|1,0,2]=4 6849 B12R0.234 COCCCCCCOC[N+](=O)[O-] 34a_200012092642_100000761209 [0,1,0,0,0,0|3,0,0]=4 6850 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,1,0,0,0,0|2,0,0]=3 6851 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,1,0,0,0,0|2,0,0]=3 6852 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,1,0,0,0,0|2,0,0]=3 6853 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,1,0,0,0,0|2,0,0]=3 6854 B12R0.234 COCCCCCCSCC(C)C 62a_100000210624_100011998445 [0,1,0,0,0,0|2,0,1]=4 6855 B12R0.234 COCCCCCCSCC(C)C 62a_100011998445_100000210760 [0,1,0,0,0,0|2,0,1]=4 6856 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,1,0,0,0,0|1,0,2]=4 6857 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,1,0,0,0,0|1,0,2]=4 6858 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,1,0,0,0,0|1,0,2]=4 6859 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,1,0,0,0,0|1,0,2]=4 6860 B12R0.234 COCCCCCCSC[N+](=O)[O-] 62a_100011998445_100000761209 [0,1,0,0,0,0|3,0,0]=4 6861 B12R0.234 COCCCCCNCC=C(C)C 2230a_100000747528_100000761012 [0,1,0,0,0,0|2,0,1]=4 6862 B12R0.234 COCCCCCNCC=C(C)C 34a_100000747528_100000761012 [0,1,0,0,0,0|2,0,1]=4 6863 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,1,0,0,0,0|2,0,0]=3 6864 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,1,0,0,0,0|2,0,0]=3 6865 B12R0.234 COCCCCCNCCC(C)C 2230a_100000747528_100000210312 [0,1,0,0,0,0|2,0,1]=4 6866 B12R0.234 COCCCCCNCCC(C)C 269862a_100000747528_100000185833 [0,1,0,0,0,0|2,0,1]=4 6867 B12R0.234 COCCCCCNCCC(C)C 34a_100000747528_100000210312 [0,1,0,0,0,0|2,0,1]=4 6868 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,1,0,0,0,0|1,0,2]=4 6869 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,1,0,0,0,0|1,0,2]=4 6870 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,1,0,0,0,0|2,0,0]=3 6871 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,1,0,0,0,0|2,0,0]=3 6872 B12R0.234 COCCCCNCCCC(C)C 2230a_200000737386_100000730899 [0,1,0,0,0,0|2,0,1]=4 6873 B12R0.234 COCCCCNCCCC(C)C 34a_200000737386_100000755781 [0,1,0,0,0,0|2,0,1]=4 6874 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,1,0,0,0,0|2,0,0]=3 6875 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,1,0,0,0,0|2,0,0]=3 6876 B12R0.234 COCCCCNCCNC(=O)N 34a_100020590234_100000755781 [0,1,0,0,0,0|3,0,0]=4 6877 B12R0.234 COCCCCOCCC=C(C)C 34a_100000740925_100011217483 [0,1,0,0,0,0|2,0,1]=4 6878 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,1,0,0,0,0|1,0,0]=2 6879 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,1,0,0,0,0|1,0,0]=2 6880 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,1,0,0,0,0|1,0,0]=2 6881 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,1,0,0,0,0|2,0,0]=3 6882 B12R0.234 COCCCCOCCCC(C)C 34a_100000210774_100000755781 [0,1,0,0,0,0|2,0,1]=4 6883 B12R0.234 COCCCCOCCCC(C)C 34a_100000740925_100011214892 [0,1,0,0,0,0|2,0,1]=4 6884 B12R0.234 COCCCCOCCCC(C)C 7a_100000210774_100000730899 [0,1,0,0,0,0|2,0,1]=4 6885 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,1,0,0,0,0|1,0,2]=4 6886 B12R0.234 COCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000755781 [0,1,0,0,0,0|3,0,0]=4 6887 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,1,0,0,0,0|2,0,0]=3 6888 B12R0.234 COCCCCOCCNC(=O)N 34a_100000181757_100000755781 [0,1,0,0,0,0|3,0,0]=4 6889 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,1,0,0,0,0|2,0,0]=3 6890 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [0,1,0,0,0,0|3,0,0]=4 6891 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [0,1,0,0,0,0|3,0,0]=4 6892 B12R0.234 COCCCCSCCC=C(C)C 62a_100000730899_100011217483 [0,1,0,0,0,0|2,0,1]=4 6893 B12R0.234 COCCCCSCCC=C(C)C 62a_100011217483_100000730899 [0,1,0,0,0,0|2,0,1]=4 6894 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,1,0,0,0,0|1,0,0]=2 6895 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,1,0,0,0,0|1,0,0]=2 6896 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,1,0,0,0,0|2,0,0]=3 6897 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,1,0,0,0,0|2,0,0]=3 6898 B12R0.234 COCCCCSCCCC(C)C 62a_100000730899_100011214892 [0,1,0,0,0,0|2,0,1]=4 6899 B12R0.234 COCCCCSCCCC(C)C 62a_100011214892_100000730899 [0,1,0,0,0,0|2,0,1]=4 6900 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,1,0,0,0,0|1,0,2]=4 6901 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,1,0,0,0,0|1,0,2]=4 6902 B12R0.234 COCCCCSCCCN(C)C 62a_100000730899_100000757444 [0,1,0,0,0,0|3,0,0]=4 6903 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,1,0,0,0,0|2,0,0]=3 6904 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,1,0,0,0,0|2,0,0]=3 6905 B12R0.234 COCCCCSCCNC(=O)N 62a_100000730899_200000034859 [0,1,0,0,0,0|3,0,0]=4 6906 B12R0.234 COCCCCSCCNC(=O)N 62a_200000034859_100000730899 [0,1,0,0,0,0|3,0,0]=4 6907 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,1,0,0,0,0|2,0,0]=3 6908 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,1,0,0,0,0|2,0,0]=3 6909 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [0,1,0,0,0,0|3,0,0]=4 6910 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [0,1,0,0,0,0|3,0,0]=4 6911 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,1,0,0,0,0|1,0,0]=2 6912 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,1,0,0,0,0|2,0,0]=3 6913 B12R0.234 COCCCNCCCCC(C)C 34a_100150723488_100011216152 [0,1,0,0,0,0|2,0,1]=4 6914 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,1,0,0,0,0|2,0,0]=3 6915 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,1,0,0,0,0|2,0,0]=3 6916 B12R0.234 COCCCNCCCOC(=S)C 34a_100150723488_200135323944 [0,1,0,0,0,0|2,1,0]=4 6917 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,1,0,0,0,0|2,0,0]=3 6918 B12R0.234 COCCCNCCOCC(=O)N 34a_100150723488_100000076697 [0,1,0,0,0,0|3,0,0]=4 6919 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,1,0,0,0,0|3,0,0]=4 6920 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,1,0,0,0,0|1,0,0]=2 6921 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,1,0,0,0,0|2,0,0]=3 6922 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,1,0,0,0,0|2,0,0]=3 6923 B12R0.234 COCCCOCCCCC(C)C 34a_100000740835_100011216152 [0,1,0,0,0,0|2,0,1]=4 6924 B12R0.234 COCCCOCCCCC(C)C 34a_100011214890_100000740836 [0,1,0,0,0,0|2,0,1]=4 6925 B12R0.234 COCCCOCCCCC(C)C 7a_100011214890_100000740836 [0,1,0,0,0,0|2,0,1]=4 6926 B12R0.234 COCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000740836 [0,1,0,0,0,0|3,0,0]=4 6927 B12R0.234 COCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000740836 [0,1,0,0,0,0|3,0,0]=4 6928 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,1,0,0,0,0|2,0,0]=3 6929 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,1,0,0,0,0|2,0,0]=3 6930 B12R0.234 COCCCOCCCOC(=S)C 34a_100000740835_200135323944 [0,1,0,0,0,0|2,1,0]=4 6931 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,1,0,0,0,0|2,0,0]=3 6932 B12R0.234 COCCCOCCOCC(=O)N 34a_100000740835_100000076697 [0,1,0,0,0,0|3,0,0]=4 6933 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,1,0,0,0,0|1,0,0]=2 6934 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,1,0,0,0,0|1,0,0]=2 6935 B12R0.234 COCCCSCCCCC(C)C 62a_100000709357_100011216152 [0,1,0,0,0,0|2,0,1]=4 6936 B12R0.234 COCCCSCCCCC(C)C 62a_100011216152_100000709357 [0,1,0,0,0,0|2,0,1]=4 6937 B12R0.234 COCCCSCCCCN(C)C 62a_100000709357_100000690147 [0,1,0,0,0,0|3,0,0]=4 6938 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,1,0,0,0,0|2,0,0]=3 6939 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,1,0,0,0,0|2,0,0]=3 6940 B12R0.234 COCCCSCCCOC(=S)C 62a_100000709357_200135323944 [0,1,0,0,0,0|2,1,0]=4 6941 B12R0.234 COCCCSCCCOC(=S)C 62a_200135323944_100000709357 [0,1,0,0,0,0|2,1,0]=4 6942 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,1,0,0,0,0|2,0,0]=3 6943 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,1,0,0,0,0|2,0,0]=3 6944 B12R0.234 COCCCSCCOCC(=O)N 62a_100000076697_100000709357 [0,1,0,0,0,0|3,0,0]=4 6945 B12R0.234 COCCCSCCOCC(=O)N 62a_100000709357_100000076697 [0,1,0,0,0,0|3,0,0]=4 6946 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,1,0,0,0,0|2,0,0]=3 6947 B12R0.234 COCCNCCCCCC(C)C 2230a_100000209980_100000210682 [0,1,0,0,0,0|2,0,1]=4 6948 B12R0.234 COCCNCCCCCC(C)C 2230a_100011290863_100011201679 [0,1,0,0,0,0|2,0,1]=4 6949 B12R0.234 COCCNCCCCCC(C)C 34a_100011290863_100011201679 [0,1,0,0,0,0|2,0,1]=4 6950 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,1,0,0,0,0|2,0,0]=3 6951 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,1,0,0,0,0|2,0,0]=3 6952 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,1,0,0,0,0|2,0,0]=3 6953 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,1,0,0,0,0|2,0,0]=3 6954 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,1,0,0,0,0|2,0,0]=3 6955 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,1,0,0,0,0|2,0,0]=3 6956 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,1,0,0,0,0|2,0,0]=3 6957 B12R0.234 COCCOCCCCCC(C)C 34a_100000210237_100000210682 [0,1,0,0,0,0|2,0,1]=4 6958 B12R0.234 COCCOCCCCCC(C)C 34a_100011995859_100011201679 [0,1,0,0,0,0|2,0,1]=4 6959 B12R0.234 COCCOCCCCCC(C)C 7a_100011995859_100000233755 [0,1,0,0,0,0|2,0,1]=4 6960 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,1,0,0,0,0|2,0,0]=3 6961 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,1,0,0,0,0|2,0,0]=3 6962 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,1,0,0,0,0|2,0,0]=3 6963 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,1,0,0,0,0|2,0,0]=3 6964 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000206027_100000747473 [0,1,0,0,0,0|3,0,0]=4 6965 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000711301_100011216529 [0,1,0,0,0,0|3,0,0]=4 6966 B12R0.234 COCCOCCCNCC(=O)N 34a_100000206027_100000187820 [0,1,0,0,0,0|3,0,0]=4 6967 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,1,0,0,0,0|3,0,0]=4 6968 B12R0.234 COCCOCCCNCC(=O)[O-] 34a_100000206027_100020667443 [0,1,0,0,0,0|3,0,0]=4 6969 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,1,0,0,0,0|2,0,0]=3 6970 B12R0.234 COCCOCCCSCC(=O)N 62a_100000747473_100011216529 [0,1,0,0,0,0|3,0,0]=4 6971 B12R0.234 COCCOCCCSCC(=O)N 62a_100011216529_100000747473 [0,1,0,0,0,0|3,0,0]=4 6972 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100011216529_100020667443 [0,1,0,0,0,0|3,0,0]=4 6973 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100020667443_100011216529 [0,1,0,0,0,0|3,0,0]=4 6974 B12R0.234 COCCOCCNCCC(=O)N 2230a_100000745349_100000744528 [0,1,0,0,0,0|3,0,0]=4 6975 B12R0.234 COCCOCCNCCC(=O)N 34a_100000745349_100000731001 [0,1,0,0,0,0|3,0,0]=4 6976 B12R0.234 COCCOCCNCOC(=O)C 34a_100000745349_100009813279 [0,1,0,0,0,0|3,0,0]=4 6977 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,1,0,0,0,0|2,0,0]=3 6978 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,1,0,0,0,0|2,0,0]=3 6979 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,1,0,0,0,0|2,0,0]=3 6980 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,1,0,0,0,0|2,0,0]=3 6981 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,1,0,0,0,0|2,0,0]=3 6982 B12R0.234 COCCOCCOCCC(=O)N 34a_100000757172_100000695917 [0,1,0,0,0,0|3,0,0]=4 6983 B12R0.234 COCCOCCOCCC(=O)N 34a_100011215163_100000731001 [0,1,0,0,0,0|3,0,0]=4 6984 B12R0.234 COCCOCCOCCC(=O)N 7a_100000757172_100000695917 [0,1,0,0,0,0|3,0,0]=4 6985 B12R0.234 COCCOCCOCCC(=O)N 7a_100011215163_100000744528 [0,1,0,0,0,0|3,0,0]=4 6986 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,1,0,0,0,0|2,0,0]=3 6987 B12R0.234 COCCOCCOCOC(=O)C 34a_100011215163_100009813279 [0,1,0,0,0,0|3,0,0]=4 6988 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,1,0,0,0,0|2,0,0]=3 6989 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,1,0,0,0,0|2,0,0]=3 6990 B12R0.234 COCCOCCSCCC(=O)N 62a_100000695917_100000744528 [0,1,0,0,0,0|3,0,0]=4 6991 B12R0.234 COCCOCCSCCC(=O)N 62a_100000744528_100000695917 [0,1,0,0,0,0|3,0,0]=4 6992 B12R0.234 COCCOCCSCOC(=O)C 62a_100000076356_100000695917 [0,1,0,0,0,0|3,0,0]=4 6993 B12R0.234 COCCOCCSCOC(=O)C 62a_100000695917_100000076356 [0,1,0,0,0,0|3,0,0]=4 6994 B12R0.234 COCCOCNCCCS(=O)C 2230a_200000753449_100000231047 [0,1,0,0,0,0|3,0,0]=4 6995 B12R0.234 COCCOCNCCNC(=O)C 2230a_100000209853_100000231047 [0,1,0,0,0,0|3,0,0]=4 6996 B12R0.234 COCCOCOCCOC(=O)C 34a_100000210237_100000076355 [0,1,0,0,0,0|3,0,0]=4 6997 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,1,0,0,0,0|2,0,0]=3 6998 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,1,0,0,0,0|2,0,0]=3 6999 B12R0.234 COCCOCSCCCC(=O)N 62a_100000231047_100102525003 [0,1,0,0,0,0|3,0,0]=4 7000 B12R0.234 COCCOCSCCCC(=O)N 62a_100102525003_100000231047 [0,1,0,0,0,0|3,0,0]=4 7001 B12R0.234 COCCOCSCCNC(=O)C 62a_100000189650_100000231047 [0,1,0,0,0,0|3,0,0]=4 7002 B12R0.234 COCCOCSCCNC(=O)C 62a_100000231047_100000189650 [0,1,0,0,0,0|3,0,0]=4 7003 B12R0.234 COCCOCSCCOC(=O)C 62a_100000231047_100009814007 [0,1,0,0,0,0|3,0,0]=4 7004 B12R0.234 COCCOCSCCOC(=O)C 62a_100009814007_100000231047 [0,1,0,0,0,0|3,0,0]=4 7005 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,1,0,0,0,0|2,0,0]=3 7006 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,1,0,0,0,0|2,0,0]=3 7007 B12R0.234 COCCSCCCCCC(C)C 62a_100000210682_100000233755 [0,1,0,0,0,0|2,0,1]=4 7008 B12R0.234 COCCSCCCCCC(C)C 62a_100000233755_100000210682 [0,1,0,0,0,0|2,0,1]=4 7009 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,1,0,0,0,0|2,0,0]=3 7010 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,1,0,0,0,0|2,0,0]=3 7011 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,1,0,0,0,0|2,0,0]=3 7012 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,1,0,0,0,0|2,0,0]=3 7013 B12R0.234 COCCSCOCCOC(=O)C 62a_100000076355_100000233755 [0,1,0,0,0,0|3,0,0]=4 7014 B12R0.234 COCCSCOCCOC(=O)C 62a_100000233755_100000076355 [0,1,0,0,0,0|3,0,0]=4 7015 B12R0.234 COCNCCCCCCC(C)C 2230a_100000211014_100000766300 [0,1,0,0,0,0|2,0,1]=4 7016 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,1,0,0,0,0|2,0,0]=3 7017 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,1,0,0,0,0|2,0,0]=3 7018 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,1,0,0,0,0|2,0,0]=3 7019 B12R0.234 COCSCCOCCOC(=O)C 62a_100000766300_200000083610 [0,1,0,0,0,0|3,0,0]=4 7020 B12R0.234 COCSCCOCCOC(=O)C 62a_200000083610_100000766300 [0,1,0,0,0,0|3,0,0]=4 7021 B12R0.234 CS(=O)CCCNCCCCC#N 2230a_200000753449_100000211819 [0,1,0,0,0,0|2,0,1]=4 7022 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [0,1,0,0,0,0|2,0,1]=4 7023 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,1,0,0,0,0|2,0,0]=3 7024 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,1,0,0,0,0|2,0,0]=3 7025 B12R0.234 CS(=O)CCCNCCOCCO 2230a_200000753449_100011215305 [0,1,0,0,0,0|3,0,0]=4 7026 B12R0.234 CSCCCCOCCC=C(C)C 34a_100011217163_100011217483 [0,1,0,0,0,0|2,0,1]=4 7027 B12R0.234 CSCCCCOCCC=C(C)C 7a_100011217163_100011217483 [0,1,0,0,0,0|2,0,1]=4 7028 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,1,0,0,0,0|1,0,0]=2 7029 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,1,0,0,0,0|1,0,0]=2 7030 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,1,0,0,0,0|2,0,0]=3 7031 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,1,0,0,0,0|2,0,0]=3 7032 B12R0.234 CSCCCCOCCCC(C)C 34a_100011217163_100011214892 [0,1,0,0,0,0|2,0,1]=4 7033 B12R0.234 CSCCCCOCCCC(C)C 7a_100011217163_100011214892 [0,1,0,0,0,0|2,0,1]=4 7034 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,1,0,0,0,0|1,0,2]=4 7035 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,1,0,0,0,0|1,0,2]=4 7036 B12R0.234 CSCCCCOCCCN(C)C 7a_100011217163_100000757444 [0,1,0,0,0,0|3,0,0]=4 7037 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,1,0,0,0,0|2,0,0]=3 7038 B12R0.234 CSCCCCOCCNC(=O)N 7a_100011217163_200000034859 [0,1,0,0,0,0|3,0,0]=4 7039 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,1,0,0,0,0|2,0,0]=3 7040 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,1,0,0,0,0|2,0,0]=3 7041 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [0,1,0,0,0,0|3,0,0]=4 7042 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [0,1,0,0,0,0|3,0,0]=4 7043 B12R0.234 CSCCCNCCCCC(C)C 2230a_100000749238_100011216152 [0,1,0,0,0,0|2,0,1]=4 7044 B12R0.234 CSCCCNCCCOC(=S)C 2230a_100000749238_200135323944 [0,1,0,0,0,0|2,1,0]=4 7045 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,1,0,0,0,0|2,0,0]=3 7046 B12R0.234 CSCCCNCCOCC(=O)N 2230a_100000749238_100000076697 [0,1,0,0,0,0|3,0,0]=4 7047 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,1,0,0,0,0|1,0,0]=2 7048 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,1,0,0,0,0|1,0,0]=2 7049 B12R0.234 CSCCCOCCCCC(C)C 34a_100000690336_100011216152 [0,1,0,0,0,0|2,0,1]=4 7050 B12R0.234 CSCCCOCCCCC(C)C 7a_100000690336_100011216152 [0,1,0,0,0,0|2,0,1]=4 7051 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,1,0,0,0,0|2,0,0]=3 7052 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,1,0,0,0,0|2,0,0]=3 7053 B12R0.234 CSCCCOCCCOC(=S)C 34a_100000690336_200135323944 [0,1,0,0,0,0|2,1,0]=4 7054 B12R0.234 CSCCCOCCCOC(=S)C 7a_100000690336_200135323944 [0,1,0,0,0,0|2,1,0]=4 7055 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,1,0,0,0,0|2,0,0]=3 7056 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,1,0,0,0,0|2,0,0]=3 7057 B12R0.234 CSCCCOCCOCC(=O)N 34a_100000690336_100000076697 [0,1,0,0,0,0|3,0,0]=4 7058 B12R0.234 CSCCCOCCOCC(=O)N 7a_100000690336_100000076697 [0,1,0,0,0,0|3,0,0]=4 7059 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,1,0,0,0,0|2,0,0]=3 7060 B12R0.234 CSCCNCCCCCC(C)C 2230a_100011290863_100000751147 [0,1,0,0,0,0|2,0,1]=4 7061 B12R0.234 CSCCNCCCCCC(C)C 2230a_100020590264_100000210682 [0,1,0,0,0,0|2,0,1]=4 7062 B12R0.234 CSCCNCCCCCC(C)C 34a_100011290863_100000212216 [0,1,0,0,0,0|2,0,1]=4 7063 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,1,0,0,0,0|2,0,0]=3 7064 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,1,0,0,0,0|2,0,0]=3 7065 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,1,0,0,0,0|2,0,0]=3 7066 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,1,0,0,0,0|2,0,0]=3 7067 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,1,0,0,0,0|2,0,0]=3 7068 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,1,0,0,0,0|2,0,0]=3 7069 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,1,0,0,0,0|2,0,0]=3 7070 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,1,0,0,0,0|2,0,0]=3 7071 B12R0.234 CSCCOCCCCCC(C)C 34a_100000230434_100000210682 [0,1,0,0,0,0|2,0,1]=4 7072 B12R0.234 CSCCOCCCCCC(C)C 34a_100011995859_100000212216 [0,1,0,0,0,0|2,0,1]=4 7073 B12R0.234 CSCCOCCCCCC(C)C 7a_100000230434_100000210682 [0,1,0,0,0,0|2,0,1]=4 7074 B12R0.234 CSCCOCCCCCC(C)C 7a_100011995859_100000212216 [0,1,0,0,0,0|2,0,1]=4 7075 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,1,0,0,0,0|2,0,0]=3 7076 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,1,0,0,0,0|2,0,0]=3 7077 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,1,0,0,0,0|2,0,0]=3 7078 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,1,0,0,0,0|2,0,0]=3 7079 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,1,0,0,0,0|2,0,0]=3 7080 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,1,0,0,0,0|2,0,0]=3 7081 B12R0.234 CSCCOCOCCOC(=O)C 34a_100000230434_100000076355 [0,1,0,0,0,0|3,0,0]=4 7082 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,1,0,0,0,0|2,0,0]=3 7083 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,1,0,0,0,0|2,0,0]=3 7084 B12R0.234 CSCCSCCCCCC(C)C 62a_100000210682_100000751147 [0,1,0,0,0,0|2,0,1]=4 7085 B12R0.234 CSCCSCCCCCC(C)C 62a_100000212216_100000210682 [0,1,0,0,0,0|2,0,1]=4 7086 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,1,0,0,0,0|2,0,0]=3 7087 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,1,0,0,0,0|2,0,0]=3 7088 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,1,0,0,0,0|2,0,0]=3 7089 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,1,0,0,0,0|2,0,0]=3 7090 B12R0.234 CSCCSCOCCOC(=O)C 62a_100000076355_100000751147 [0,1,0,0,0,0|3,0,0]=4 7091 B12R0.234 CSCCSCOCCOC(=O)C 62a_100000212216_100000076355 [0,1,0,0,0,0|3,0,0]=4 7092 B12R0.234 CSCNCCCCCCC(C)C 2230a_100000211014_100011218213 [0,1,0,0,0,0|2,0,1]=4 7093 B12R0.234 CSCNCCCCCCC(C)C 34a_100000211014_100011218213 [0,1,0,0,0,0|2,0,1]=4 7094 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,1,0,0,0,0|2,0,0]=3 7095 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,1,0,0,0,0|2,0,0]=3 7096 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,1,0,0,0,0|2,0,0]=3 7097 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,1,0,0,0,0|2,0,0]=3 7098 B12R0.234 CSCSCCOCCOC(=O)C 62a_100011218213_200000083610 [0,1,0,0,0,0|3,0,0]=4 7099 B12R0.234 CSCSCCOCCOC(=O)C 62a_200000083610_100011218213 [0,1,0,0,0,0|3,0,0]=4 7100 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,1,0,0,0,0|2,0,1]=4 7101 B12R0.234 C[C@@H](N)CCOCCCCCCF 34a_100000706166_100015922095 [0,1,0,0,0,0|2,0,1]=4 7102 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [0,1,0,0,0,0|2,0,1]=4 7103 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,1,0,0,0,0|2,0,1]=4 7104 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 7105 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 7106 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,1,0,0,0,0|1,0,2]=4 7107 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,1,0,0,0,0|1,0,2]=4 7108 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 7109 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,1,0,0,0,0|1,0,2]=4 7110 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,1,0,0,0,0|1,0,2]=4 7111 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,1,0,0,0,0|2,0,1]=4 7112 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,1,0,0,0,0|2,0,1]=4 7113 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,1,0,0,0,0|2,0,1]=4 7114 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,1,0,0,0,0|2,0,1]=4 7115 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,1,0,0,0,0|2,0,1]=4 7116 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,1,0,0,0,0|2,0,1]=4 7117 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,1,0,0,0,0|2,0,1]=4 7118 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,1,0,0,0,0|2,0,1]=4 7119 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,1,0,0,0,0|2,0,1]=4 7120 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,1,0,0,0,0|2,0,1]=4 7121 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,1,0,0,0,0|2,0,1]=4 7122 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,1,0,0,0,0|2,0,1]=4 7123 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,1,0,0,0,0|2,0,1]=4 7124 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,1,0,0,0,0|2,0,1]=4 7125 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,1,0,0,0,0|2,0,1]=4 7126 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,1,0,0,0,0|2,0,1]=4 7127 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,1,0,0,0,0|2,0,0]=3 7128 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,1,0,0,0,0|2,0,0]=3 7129 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,1,0,0,0,0|2,0,0]=3 7130 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,1,0,0,0,0|2,0,0]=3 7131 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,1,0,0,0,0|2,0,0]=3 7132 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,1,0,0,0,0|2,0,0]=3 7133 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,1,0,0,0,0|2,0,0]=3 7134 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,0,0,0,0|2,0,0]=3 7135 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,0,0,0,0|2,0,0]=3 7136 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,1,0,0,0,0|2,0,0]=3 7137 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,1,0,0,0,0|2,0,0]=3 7138 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,0,0,0,0|2,0,0]=3 7139 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,0,0,0,0|2,0,0]=3 7140 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,1,0,0,0,0|2,0,0]=3 7141 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,0,0,0,0|2,0,0]=3 7142 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,1,0,0,0,0|2,0,1]=4 7143 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,1,0,0,0,0|2,0,0]=3 7144 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,1,0,0,0,0|2,0,0]=3 7145 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,0,0,0,0|2,0,0]=3 7146 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,0,0,0,0|2,0,0]=3 7147 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,0,0,0,0|2,0,0]=3 7148 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|2,0,0]=3 7149 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,0]=3 7150 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000211614_100102525003 [0,1,0,0,0,0|3,0,0]=4 7151 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000739312_100000692535 [0,1,0,0,0,0|3,0,0]=4 7152 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,0,0,0,0|2,0,0]=3 7153 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,0,0,0,0|2,0,0]=3 7154 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 7155 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 7156 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,0,0,0,0|2,0,0]=3 7157 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,0,0,0,0|2,0,0]=3 7158 B12R0.234 NC(=O)CCCOCCOCCBr 34a_100000692535_100102525003 [0,1,0,0,0,0|3,0,0]=4 7159 B12R0.234 NC(=O)CCCOCCOCCBr 7a_100000692535_100102525003 [0,1,0,0,0,0|3,0,0]=4 7160 B12R0.234 NC(=O)CCCOCCOCCCl 34a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 7161 B12R0.234 NC(=O)CCCOCCOCCCl 7a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 7162 B12R0.234 NC(=O)CCCOCCOCCF 34a_200015357709_100102525003 [0,1,0,0,0,0|3,0,0]=4 7163 B12R0.234 NC(=O)CCCOCCOCCF 7a_200015357709_100102525003 [0,1,0,0,0,0|3,0,0]=4 7164 B12R0.234 NC(=O)CCCOCCOCCI 34a_100012149058_100102525003 [0,1,0,0,0,0|3,0,0]=4 7165 B12R0.234 NC(=O)CCCOCCOCCI 7a_100012149058_100102525003 [0,1,0,0,0,0|3,0,0]=4 7166 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,1,0,0,0,0|2,0,1]=4 7167 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,1,0,0,0,0|2,0,1]=4 7168 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,0,0,0,0|2,0,0]=3 7169 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,0,0,0,0|2,0,0]=3 7170 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 7171 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|2,0,0]=3 7172 B12R0.234 NC(=O)CCCSCCOCCO 62a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 7173 B12R0.234 NC(=O)CCCSCCOCCO 62a_100102525003_100011215305 [0,1,0,0,0,0|3,0,0]=4 7174 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|2,0,0]=3 7175 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,0]=3 7176 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,1,0,0,0,0|2,0,1]=4 7177 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,0,0,0,0|2,0,0]=3 7178 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,0,0,0,0|2,0,0]=3 7179 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,0,0,0,0|2,0,0]=3 7180 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,0,0,0,0|2,0,0]=3 7181 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,0,0,0,0|2,0,0]=3 7182 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,0,0,0,0|2,0,0]=3 7183 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,0,0,0,0|2,0,0]=3 7184 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,0,0,0,0|2,0,0]=3 7185 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|2,0,0]=3 7186 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|2,0,0]=3 7187 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,1,0,0,0,0|2,0,1]=4 7188 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,1,0,0,0,0|2,0,1]=4 7189 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,0,0,0,0|2,0,0]=3 7190 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,0,0,0,0|2,0,0]=3 7191 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|2,0,0]=3 7192 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|2,0,0]=3 7193 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|2,0,0]=3 7194 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|2,0,0]=3 7195 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,0]=3 7196 B12R0.234 NC(=O)CNCCCOCCCO 2230a_100011310245_100000747473 [0,1,0,0,0,0|3,0,0]=4 7197 B12R0.234 NC(=O)CNCCCOCCCO 34a_100011310245_100000187820 [0,1,0,0,0,0|3,0,0]=4 7198 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,0,0,0,0|2,0,0]=3 7199 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,0,0,0,0|2,0,0]=3 7200 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 7201 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 7202 B12R0.234 NC(=O)COCCOCCCCBr 34a_100011216708_100000076697 [0,1,0,0,0,0|3,0,0]=4 7203 B12R0.234 NC(=O)COCCOCCCCCl 34a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 7204 B12R0.234 NC(=O)COCCOCCCCCl 7a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 7205 B12R0.234 NC(=O)COCCOCCCCF 34a_100011995726_100000076697 [0,1,0,0,0,0|3,0,0]=4 7206 B12R0.234 NC(=O)COCCOCCCCF 7a_100011995726_100000076697 [0,1,0,0,0,0|3,0,0]=4 7207 B12R0.234 NC(=O)COCCOCCCCI 34a_200012148704_100000076697 [0,1,0,0,0,0|3,0,0]=4 7208 B12R0.234 NC(=O)COCCSCCCCF 62a_100000076697_100000729493 [0,1,0,0,0,0|3,0,0]=4 7209 B12R0.234 NC(=O)COCCSCCCCF 62a_100000729493_100000076697 [0,1,0,0,0,0|3,0,0]=4 7210 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,1,0,0,0,0|3,0,0]=4 7211 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 7212 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,0,0]=3 7213 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,0,0]=3 7214 B12R0.234 NC(=O)NCCNCCCCCF 34a_100020590234_100000729378 [0,1,0,0,0,0|3,0,0]=4 7215 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,1,0,0,0,0|3,0,0]=4 7216 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,1,0,0,0,0|3,0,0]=4 7217 B12R0.234 NC(=O)NCCOCCCCCBr 7a_100000746331_200000034859 [0,1,0,0,0,0|3,0,0]=4 7218 B12R0.234 NC(=O)NCCOCCCCCCl 7a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 7219 B12R0.234 NC(=O)NCCOCCCCCF 34a_100000181757_100000729378 [0,1,0,0,0,0|3,0,0]=4 7220 B12R0.234 NC(=O)NCCOCCCCCI 7a_200012148887_200000034859 [0,1,0,0,0,0|3,0,0]=4 7221 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,1,0,0,0,0|3,0,0]=4 7222 B12R0.234 NC(=O)NCCSCCCCCF 62a_100000729378_200000034859 [0,1,0,0,0,0|3,0,0]=4 7223 B12R0.234 NC(=O)NCCSCCCCCF 62a_200000034859_100000729378 [0,1,0,0,0,0|3,0,0]=4 7224 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 7225 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,1,0,0,0,0|3,0,0]=4 7226 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,1,0,0,0,0|3,0,0]=4 7227 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [0,1,0,0,0,0|3,0,0]=4 7228 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [0,1,0,0,0,0|3,0,0]=4 7229 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 7230 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 7231 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [0,1,0,0,0,0|3,0,0]=4 7232 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [0,1,0,0,0,0|3,0,0]=4 7233 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [0,1,0,0,0,0|3,0,0]=4 7234 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,1,0,0,0,0|3,0,0]=4 7235 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [0,1,0,0,0,0|3,0,0]=4 7236 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [0,1,0,0,0,0|3,0,0]=4 7237 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 7238 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,1,0,0,0,0|3,0,0]=4 7239 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,0]=3 7240 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,0]=3 7241 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,1,0,0,0,0|3,0,0]=4 7242 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,0]=3 7243 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,0]=3 7244 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [0,1,0,0,0,0|3,0,0]=4 7245 B12R0.234 NCCCCOCCOCC(=O)N 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 7246 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,1,0,0,0,0|2,0,0]=3 7247 B12R0.234 NCCCOCCCOCC(=O)N 34a_100011310245_100000187820 [0,1,0,0,0,0|3,0,0]=4 7248 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,1,0,0,0,0|3,0,0]=4 7249 B12R0.234 NCCOCCOCCCC(=O)N 34a_100000211614_100102525003 [0,1,0,0,0,0|3,0,0]=4 7250 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,1,0,0,0,0|3,0,0]=4 7251 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|2,0,0]=3 7252 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,1,0,0,0,0|3,0,0]=4 7253 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,0,0,0,0|3,0,0]=4 7254 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,1,0,0,0,0|3,0,0]=4 7255 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,0,0,0,0|3,0,0]=4 7256 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,1,0,0,0,0|2,0,0]=3 7257 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,0,0,0,0|2,0,0]=3 7258 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,0]=3 7259 B12R0.234 O=C([O-])CNCCCOCCCO 34a_100011310245_100020667443 [0,1,0,0,0,0|3,0,0]=4 7260 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,0,0,0,0|2,0,0]=3 7261 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|2,0,0]=3 7262 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|2,0,0]=3 7263 B12R0.234 O=[N+]([O-])CCCCOCCCCF 34a_200015379883_100000729493 [0,1,0,0,0,0|3,0,0]=4 7264 B12R0.234 O=[N+]([O-])CCCCOCCCCF 7a_200015379883_100000729493 [0,1,0,0,0,0|3,0,0]=4 7265 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,1,0,0,0,0|3,0,0]=4 7266 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,1,0,0,0,0|3,0,0]=4 7267 B12R0.234 O=[N+]([O-])CCCOCCCCCF 34a_200000037920_100000729378 [0,1,0,0,0,0|3,0,0]=4 7268 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,1,0,0,0,0|3,0,0]=4 7269 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,1,0,0,0,0|3,0,0]=4 7270 B12R0.234 O=[N+]([O-])COCCCCCCCBr 34a_100000760002_100000761209 [0,1,0,0,0,0|3,0,0]=4 7271 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,1,0,0,0,0|3,0,0]=4 7272 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|0,0,0]=1 7273 B12R0.248 C#C/C(=C\COCCCCCC)/C 34a_100016990848_100000210314 [0,1,0,0,0,0|2,0,1]=4 7274 B12R0.248 C#CC(=O)CCCC#CCCCC 1458a_100000211873_200000047210 [0,1,0,0,0,0|0,0,3]=4 7275 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,1,0,0,0,0|0,0,3]=4 7276 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|0,0,1]=2 7277 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,1,0,0,0,0|1,0,1]=3 7278 B12R0.248 C#CC(C)NCCCCCCCC 2230a_100000707721_100000210759 [0,1,0,0,0,0|2,0,1]=4 7279 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000229939_200000035995 [0,1,0,0,0,0|2,0,1]=4 7280 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000707721_100000210759 [0,1,0,0,0,0|2,0,1]=4 7281 B12R0.248 C#CC(C)OCCCCCCCC 34a_100000210232_200000035995 [0,1,0,0,0,0|2,0,1]=4 7282 B12R0.248 C#CC(C)SCCCCCCCC 62a_200000035995_100000210317 [0,1,0,0,0,0|2,0,1]=4 7283 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,1,0,0,0,0|0,0,3]=4 7284 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,1,0,0,0,0|0,0,3]=4 7285 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,1,0,0,0,0|0,0,2]=3 7286 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,1,0,0,0,0|0,0,2]=3 7287 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,1,0,0,0,0|0,0,2]=3 7288 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,0,0,0,0|0,0,2]=3 7289 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,1,0,0,0,0|0,0,2]=3 7290 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,1,0,0,0,0|0,0,2]=3 7291 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,1,0,0,0,0|0,0,2]=3 7292 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,1,0,0,0,0|0,0,2]=3 7293 B12R0.248 C#CCCCCCNCC(=O)NC 2230a_100000693194_100012094781 [0,1,0,0,0,0|1,0,2]=4 7294 B12R0.248 C#CCCCCCOCC(=O)CC 34a_100000725409_100012094781 [0,1,0,0,0,0|1,0,2]=4 7295 B12R0.248 C#CCCCCCOCC(=O)CC 7a_100000766912_100000747405 [0,1,0,0,0,0|1,0,2]=4 7296 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000750040_100012094781 [0,1,0,0,0,0|1,0,2]=4 7297 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000766912_100000183359 [0,1,0,0,0,0|1,0,2]=4 7298 B12R0.248 C#CCCCCCOCC(=O)NC 7a_100000766912_100000183359 [0,1,0,0,0,0|1,0,2]=4 7299 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,1,0,0,0,0|1,0,2]=4 7300 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,1,0,0,0,0|1,0,2]=4 7301 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100000747405_100012094781 [0,1,0,0,0,0|1,0,2]=4 7302 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100012094781_100000747405 [0,1,0,0,0,0|1,0,2]=4 7303 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100000183359_100012094781 [0,1,0,0,0,0|1,0,2]=4 7304 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100012094781_100000183359 [0,1,0,0,0,0|1,0,2]=4 7305 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,1,0,0,0,0|1,0,2]=4 7306 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,1,0,0,0,0|1,0,2]=4 7307 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000706060_100000737683 [0,1,0,0,0,0|1,0,2]=4 7308 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000738227_100010269958 [0,1,0,0,0,0|1,0,2]=4 7309 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000706060_100012179268 [0,1,0,0,0,0|1,0,2]=4 7310 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000738227_100010269958 [0,1,0,0,0,0|1,0,2]=4 7311 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [0,1,0,0,0,0|1,0,2]=4 7312 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [0,1,0,0,0,0|1,0,2]=4 7313 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000754576_100010269958 [0,1,0,0,0,0|1,0,2]=4 7314 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000766709_100012179268 [0,1,0,0,0,0|1,0,2]=4 7315 B12R0.248 C#CCCCCOCCC(=O)NC 7a_100000766709_100000737683 [0,1,0,0,0,0|1,0,2]=4 7316 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [0,1,0,0,0,0|1,0,2]=4 7317 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [0,1,0,0,0,0|1,0,2]=4 7318 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100000737683_100010269958 [0,1,0,0,0,0|1,0,2]=4 7319 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100010269958_100000737683 [0,1,0,0,0,0|1,0,2]=4 7320 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [0,1,0,0,0,0|1,0,2]=4 7321 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [0,1,0,0,0,0|1,0,2]=4 7322 B12R0.248 C#CCCCNCCCC(=O)NC 2230a_100000740002_100000731252 [0,1,0,0,0,0|1,0,2]=4 7323 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000718082_100000741757 [0,1,0,0,0,0|1,0,2]=4 7324 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000740002_100000695029 [0,1,0,0,0,0|1,0,2]=4 7325 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [0,1,0,0,0,0|1,0,2]=4 7326 B12R0.248 C#CCCCOCCCC(=O)NC 34a_100000215630_100000741757 [0,1,0,0,0,0|1,0,2]=4 7327 B12R0.248 C#CCCCOCCCC(=O)NC 7a_100000215630_100000741757 [0,1,0,0,0,0|1,0,2]=4 7328 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [0,1,0,0,0,0|1,0,2]=4 7329 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [0,1,0,0,0,0|1,0,2]=4 7330 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100000741757_100011215417 [0,1,0,0,0,0|1,0,2]=4 7331 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100011215417_100000741757 [0,1,0,0,0,0|1,0,2]=4 7332 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [0,1,0,0,0,0|1,0,2]=4 7333 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [0,1,0,0,0,0|1,0,2]=4 7334 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [0,1,0,0,0,0|1,0,2]=4 7335 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [0,1,0,0,0,0|1,0,2]=4 7336 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [0,1,0,0,0,0|1,0,2]=4 7337 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [0,1,0,0,0,0|1,0,2]=4 7338 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [0,1,0,0,0,0|1,0,2]=4 7339 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [0,1,0,0,0,0|1,0,2]=4 7340 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [0,1,0,0,0,0|1,0,2]=4 7341 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [0,1,0,0,0,0|1,0,2]=4 7342 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [0,1,0,0,0,0|1,0,2]=4 7343 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [0,1,0,0,0,0|1,0,2]=4 7344 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [0,1,0,0,0,0|1,0,2]=4 7345 B12R0.248 C#C[C@@H](C)OCCCCCCCC 34a_100009815206_100000210759 [0,1,0,0,0,0|2,0,1]=4 7346 B12R0.248 C#C[C@@H](C)OCCCCCCCC 7a_100009815206_100000210759 [0,1,0,0,0,0|2,0,1]=4 7347 B12R0.248 C/C=C/CCOCCCC(=O)NC 34a_100016278192_100000741757 [0,1,0,0,0,0|1,0,2]=4 7348 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [0,1,0,0,0,0|1,0,2]=4 7349 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [0,1,0,0,0,0|1,0,2]=4 7350 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [0,1,0,0,0,0|1,0,2]=4 7351 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [0,1,0,0,0,0|1,0,2]=4 7352 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [0,1,0,0,0,0|1,0,2]=4 7353 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [0,1,0,0,0,0|1,0,2]=4 7354 B12R0.248 C=C(C#N)CNCCCCCCC 2230a_100000229938_100000694840 [0,1,0,0,0,0|2,0,1]=4 7355 B12R0.248 C=C(C#N)COCCCCCCC 34a_100000210272_100000694840 [0,1,0,0,0,0|2,0,1]=4 7356 B12R0.248 C=C(C#N)CSCCCCCCC 62a_100000210614_100000694840 [0,1,0,0,0,0|2,0,1]=4 7357 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,1,0,0,0,0|0,0,3]=4 7358 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|0,0,1]=2 7359 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|1,0,1]=3 7360 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,0,0,0,0|1,0,1]=3 7361 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,0,0,0,0|1,0,1]=3 7362 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,1,0,0,0,0|2,0,1]=4 7363 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,1,0,0,0,0|2,0,1]=4 7364 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,1,0,0,0,0|2,0,1]=4 7365 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,1,0,0,0,0|2,0,1]=4 7366 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,1,0,0,0,0|2,0,1]=4 7367 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,1,0,0,0,0|2,0,1]=4 7368 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,1,0,0,0,0|2,0,1]=4 7369 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,1,0,0,0,0|2,0,1]=4 7370 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,1,0,0,0,0|2,0,1]=4 7371 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,1,0,0,0,0|2,0,1]=4 7372 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,1,0,0,0,0|2,0,1]=4 7373 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,1,0,0,0,0|2,0,1]=4 7374 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,1,0,0,0,0|2,0,1]=4 7375 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,1,0,0,0,0|2,0,1]=4 7376 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,1,0,0,0,0|2,0,1]=4 7377 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,1,0,0,0,0|2,0,1]=4 7378 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,1,0,0,0,0|2,0,1]=4 7379 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,1,0,0,0,0|2,0,1]=4 7380 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,1,0,0,0,0|2,0,1]=4 7381 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,1,0,0,0,0|2,0,1]=4 7382 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,1,0,0,0,0|2,0,1]=4 7383 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,1,0,0,0,0|2,0,1]=4 7384 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,1,0,0,0,0|2,0,1]=4 7385 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,1,0,0,0,0|2,0,1]=4 7386 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,1,0,0,0,0|0,0,3]=4 7387 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|0,0,2]=3 7388 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|0,0,2]=3 7389 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,1,0,0,0,0|0,0,2]=3 7390 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|0,0,2]=3 7391 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,1,0,0,0,0|0,0,2]=3 7392 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,1,0,0,0,0|0,0,2]=3 7393 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,1,0,0,0,0|0,0,2]=3 7394 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,1,0,0,0,0|0,0,2]=3 7395 B12R0.248 C=CCCCCCNCC(=O)NC 2230a_100000693194_100000700193 [0,1,0,0,0,0|1,0,2]=4 7396 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,1,0,0,0,0|1,0,2]=4 7397 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,1,0,0,0,0|1,0,2]=4 7398 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100000750040_100000700193 [0,1,0,0,0,0|1,0,2]=4 7399 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100011216702_100000183359 [0,1,0,0,0,0|1,0,2]=4 7400 B12R0.248 C=CCCCCCOCC(=O)NC 7a_100011216702_100000183359 [0,1,0,0,0,0|1,0,2]=4 7401 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,1,0,0,0,0|1,0,2]=4 7402 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,1,0,0,0,0|1,0,2]=4 7403 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [0,1,0,0,0,0|1,0,2]=4 7404 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [0,1,0,0,0,0|1,0,2]=4 7405 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000183359_100000700193 [0,1,0,0,0,0|1,0,2]=4 7406 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000700193_100000183359 [0,1,0,0,0,0|1,0,2]=4 7407 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,1,0,0,0,0|1,0,2]=4 7408 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,1,0,0,0,0|1,0,2]=4 7409 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000703577_100000737683 [0,1,0,0,0,0|1,0,2]=4 7410 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000738227_100011215482 [0,1,0,0,0,0|1,0,2]=4 7411 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000703577_100012179268 [0,1,0,0,0,0|1,0,2]=4 7412 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000738227_100011215482 [0,1,0,0,0,0|1,0,2]=4 7413 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [0,1,0,0,0,0|1,0,2]=4 7414 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [0,1,0,0,0,0|1,0,2]=4 7415 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000754576_100011215482 [0,1,0,0,0,0|1,0,2]=4 7416 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000766645_100012179268 [0,1,0,0,0,0|1,0,2]=4 7417 B12R0.248 C=CCCCCOCCC(=O)NC 7a_100000766645_100000737683 [0,1,0,0,0,0|1,0,2]=4 7418 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [0,1,0,0,0,0|1,0,2]=4 7419 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [0,1,0,0,0,0|1,0,2]=4 7420 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100000737683_100011215482 [0,1,0,0,0,0|1,0,2]=4 7421 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100011215482_100000737683 [0,1,0,0,0,0|1,0,2]=4 7422 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [0,1,0,0,0,0|1,0,2]=4 7423 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [0,1,0,0,0,0|1,0,2]=4 7424 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000700776_100000741757 [0,1,0,0,0,0|1,0,2]=4 7425 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000740002_100011713584 [0,1,0,0,0,0|1,0,2]=4 7426 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000700776_100000741757 [0,1,0,0,0,0|1,0,2]=4 7427 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000740002_100000757094 [0,1,0,0,0,0|1,0,2]=4 7428 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [0,1,0,0,0,0|1,0,2]=4 7429 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [0,1,0,0,0,0|1,0,2]=4 7430 B12R0.248 C=CCCCOCCCC(=O)NC 34a_100000758997_100000741757 [0,1,0,0,0,0|1,0,2]=4 7431 B12R0.248 C=CCCCOCCCC(=O)NC 7a_100000758997_100000741757 [0,1,0,0,0,0|1,0,2]=4 7432 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [0,1,0,0,0,0|1,0,2]=4 7433 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [0,1,0,0,0,0|1,0,2]=4 7434 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100000741757_100000757094 [0,1,0,0,0,0|1,0,2]=4 7435 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100011713584_100000741757 [0,1,0,0,0,0|1,0,2]=4 7436 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [0,1,0,0,0,0|1,0,2]=4 7437 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [0,1,0,0,0,0|1,0,2]=4 7438 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [0,1,0,0,0,0|1,0,2]=4 7439 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [0,1,0,0,0,0|1,0,2]=4 7440 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [0,1,0,0,0,0|1,0,2]=4 7441 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [0,1,0,0,0,0|1,0,2]=4 7442 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [0,1,0,0,0,0|1,0,2]=4 7443 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [0,1,0,0,0,0|1,0,2]=4 7444 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [0,1,0,0,0,0|1,0,2]=4 7445 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [0,1,0,0,0,0|1,0,2]=4 7446 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [0,1,0,0,0,0|1,0,2]=4 7447 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [0,1,0,0,0,0|1,0,2]=4 7448 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [0,1,0,0,0,0|1,0,2]=4 7449 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [0,1,0,0,0,0|1,0,2]=4 7450 B12R0.248 CC#CCCOCCCC(=O)NC 34a_100000750427_100000741757 [0,1,0,0,0,0|1,0,2]=4 7451 B12R0.248 CC#CCCOCCCC(=O)OC 34a_100000750427_100000742333 [0,1,0,0,0,0|1,0,2]=4 7452 B12R0.248 CC#CCNCCCCC(=O)OC 2230a_100000685387_100000204269 [0,1,0,0,0,0|1,0,2]=4 7453 B12R0.248 CC#CCNCCCCC(=O)OC 34a_100000685387_100000204269 [0,1,0,0,0,0|1,0,2]=4 7454 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000059025_100000748600 [0,1,0,0,0,0|1,0,2]=4 7455 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000761923_100000204269 [0,1,0,0,0,0|1,0,2]=4 7456 B12R0.248 CC#CCOCCCCC(=O)OC 7a_100000059025_100000748600 [0,1,0,0,0,0|1,0,2]=4 7457 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000204269_100000748600 [0,1,0,0,0,0|1,0,2]=4 7458 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000748600_100000204269 [0,1,0,0,0,0|1,0,2]=4 7459 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [0,1,0,0,0,0|1,0,2]=4 7460 B12R0.248 CC/C=C/CCCOCC(=O)NC 34a_100016287902_100000183359 [0,1,0,0,0,0|1,0,2]=4 7461 B12R0.248 CC/C=C/CCCOCC(=O)NC 7a_100016287902_100000183359 [0,1,0,0,0,0|1,0,2]=4 7462 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,1,0,0,0,0|1,0,2]=4 7463 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,1,0,0,0,0|1,0,2]=4 7464 B12R0.248 CC/C=C\CCNCCC(=O)NC 2230a_100000738227_100015370543 [0,1,0,0,0,0|1,0,2]=4 7465 B12R0.248 CC/C=C\CCNCCC(=O)NC 34a_100000738227_100015370543 [0,1,0,0,0,0|1,0,2]=4 7466 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100000754576_100015370543 [0,1,0,0,0,0|1,0,2]=4 7467 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100016288707_100012179268 [0,1,0,0,0,0|1,0,2]=4 7468 B12R0.248 CC/C=C\CCOCCC(=O)NC 7a_100016288707_100000737683 [0,1,0,0,0,0|1,0,2]=4 7469 B12R0.248 CC/C=C\CCOCCC(=O)OC 34a_100016288707_100000742370 [0,1,0,0,0,0|1,0,2]=4 7470 B12R0.248 CC/C=C\CCOCCC(=O)OC 7a_100016288707_100000204255 [0,1,0,0,0,0|1,0,2]=4 7471 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100000737683_100015370543 [0,1,0,0,0,0|1,0,2]=4 7472 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100015370543_100000737683 [0,1,0,0,0,0|1,0,2]=4 7473 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [0,1,0,0,0,0|1,0,2]=4 7474 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [0,1,0,0,0,0|1,0,2]=4 7475 B12R0.248 CC/C=C\CNCCCC(=O)NC 2230a_100000740002_100103147603 [0,1,0,0,0,0|1,0,2]=4 7476 B12R0.248 CC/C=C\CNCCCC(=O)NC 34a_100000740002_100103147603 [0,1,0,0,0,0|1,0,2]=4 7477 B12R0.248 CC/C=C\COCCCC(=O)NC 34a_100016268518_100000741757 [0,1,0,0,0,0|1,0,2]=4 7478 B12R0.248 CC/C=C\COCCCC(=O)OC 34a_100016268518_100000742333 [0,1,0,0,0,0|1,0,2]=4 7479 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100000741757_100103147603 [0,1,0,0,0,0|1,0,2]=4 7480 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100103147603_100000741757 [0,1,0,0,0,0|1,0,2]=4 7481 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100011218270_100103147603 [0,1,0,0,0,0|1,0,2]=4 7482 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100103147603_100011218270 [0,1,0,0,0,0|1,0,2]=4 7483 B12R0.248 CC=CCCCOCCC(=O)NC 34a_100020645299_100012179268 [0,1,0,0,0,0|1,0,2]=4 7484 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [0,1,0,0,0,0|1,0,2]=4 7485 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [0,1,0,0,0,0|1,0,2]=4 7486 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [0,1,0,0,0,0|1,0,2]=4 7487 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [0,1,0,0,0,0|1,0,2]=4 7488 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [0,1,0,0,0,0|1,0,2]=4 7489 B12R0.248 CCC#CCCOCCC(=O)NC 34a_100000036655_100012179268 [0,1,0,0,0,0|1,0,2]=4 7490 B12R0.248 CCC#CCCOCCC(=O)NC 7a_100000036655_100000737683 [0,1,0,0,0,0|1,0,2]=4 7491 B12R0.248 CCC#CCCOCCC(=O)OC 34a_100000036655_100000742370 [0,1,0,0,0,0|1,0,2]=4 7492 B12R0.248 CCC#CCCOCCC(=O)OC 7a_100000036655_100000204255 [0,1,0,0,0,0|1,0,2]=4 7493 B12R0.248 CCC#CCNCCCC(=O)NC 2230a_100000740002_100009813939 [0,1,0,0,0,0|1,0,2]=4 7494 B12R0.248 CCC#CCNCCCC(=O)NC 34a_100000740002_100009813939 [0,1,0,0,0,0|1,0,2]=4 7495 B12R0.248 CCC#CCOCCCC(=O)NC 34a_100000032950_100000741757 [0,1,0,0,0,0|1,0,2]=4 7496 B12R0.248 CCC#CCOCCCC(=O)OC 34a_100000032950_100000742333 [0,1,0,0,0,0|1,0,2]=4 7497 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100000741757_100009813939 [0,1,0,0,0,0|1,0,2]=4 7498 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100009813939_100000741757 [0,1,0,0,0,0|1,0,2]=4 7499 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100009813939_100011218270 [0,1,0,0,0,0|1,0,2]=4 7500 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100011218270_100009813939 [0,1,0,0,0,0|1,0,2]=4 7501 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|1,0,0]=2 7502 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100000210414_100000032323 [0,1,0,0,0,0|3,0,0]=4 7503 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100009915118_100000210202 [0,1,0,0,0,0|3,0,0]=4 7504 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,1,0,0,0,0|2,0,0]=3 7505 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,1,0,0,0,0|2,0,0]=3 7506 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,1,0,0,0,0|2,0,0]=3 7507 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,1,0,0,0,0|2,0,0]=3 7508 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,1,0,0,0,0|2,0,0]=3 7509 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [0,1,0,0,0,0|3,0,0]=4 7510 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [0,1,0,0,0,0|3,0,0]=4 7511 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [0,1,0,0,0,0|3,0,0]=4 7512 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100000747405_100009813376 [0,1,0,0,0,0|2,0,1]=4 7513 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100009813376_100000747405 [0,1,0,0,0,0|2,0,1]=4 7514 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [0,1,0,0,0,0|2,0,1]=4 7515 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [0,1,0,0,0,0|2,0,1]=4 7516 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,1,0,0,0,0|2,0,0]=3 7517 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,1,0,0,0,0|2,0,0]=3 7518 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,1,0,0,0,0|2,0,0]=3 7519 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,1,0,0,0,0|2,0,0]=3 7520 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000695917_100000747405 [0,1,0,0,0,0|3,0,0]=4 7521 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000747405_100000695917 [0,1,0,0,0,0|3,0,0]=4 7522 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,1,0,0,0,0|2,0,0]=3 7523 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,1,0,0,0,0|3,0,0]=4 7524 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [0,1,0,0,0,0|3,0,0]=4 7525 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [0,1,0,0,0,0|3,0,0]=4 7526 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [0,1,0,0,0,0|3,0,0]=4 7527 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,1,0,0,0,0|3,0,0]=4 7528 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [0,1,0,0,0,0|3,0,0]=4 7529 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [0,1,0,0,0,0|3,0,0]=4 7530 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [0,1,0,0,0,0|3,0,0]=4 7531 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,1,0,0,0,0|3,0,0]=4 7532 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,1,0,0,0,0|3,0,0]=4 7533 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [0,1,0,0,0,0|3,0,0]=4 7534 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [0,1,0,0,0,0|3,0,0]=4 7535 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,1,0,0,0,0|3,0,0]=4 7536 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,1,0,0,0,0|3,0,0]=4 7537 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,1,0,0,0,0|3,0,0]=4 7538 B12R0.248 CCC/C=C/COCCC(=O)NC 34a_100016278788_100012179268 [0,1,0,0,0,0|1,0,2]=4 7539 B12R0.248 CCC/C=C/COCCC(=O)NC 7a_100016278788_100000737683 [0,1,0,0,0,0|1,0,2]=4 7540 B12R0.248 CCC/C=C/COCCC(=O)OC 34a_100016278788_100000742370 [0,1,0,0,0,0|1,0,2]=4 7541 B12R0.248 CCC/C=C/COCCC(=O)OC 7a_100016278788_100000204255 [0,1,0,0,0,0|1,0,2]=4 7542 B12R0.248 CCCC#CCCOCC(=O)CC 7a_100000042726_100000747405 [0,1,0,0,0,0|1,0,2]=4 7543 B12R0.248 CCCC#CCCOCC(=O)NC 34a_100000042726_100000183359 [0,1,0,0,0,0|1,0,2]=4 7544 B12R0.248 CCCC#CCCOCC(=O)NC 7a_100000042726_100000183359 [0,1,0,0,0,0|1,0,2]=4 7545 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,1,0,0,0,0|1,0,2]=4 7546 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,1,0,0,0,0|1,0,2]=4 7547 B12R0.248 CCCC#CCOCCC(=O)NC 34a_100000034806_100012179268 [0,1,0,0,0,0|1,0,2]=4 7548 B12R0.248 CCCC#CCOCCC(=O)NC 7a_100000034806_100000737683 [0,1,0,0,0,0|1,0,2]=4 7549 B12R0.248 CCCC#CCOCCC(=O)OC 34a_100000034806_100000742370 [0,1,0,0,0,0|1,0,2]=4 7550 B12R0.248 CCCC#CCOCCC(=O)OC 7a_100000034806_100000204255 [0,1,0,0,0,0|1,0,2]=4 7551 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [0,1,0,0,0,0|1,0,2]=4 7552 B12R0.248 CCCC/C=C/COCC(=O)NC 34a_200016272032_100000183359 [0,1,0,0,0,0|1,0,2]=4 7553 B12R0.248 CCCC/C=C/COCC(=O)NC 7a_200016272032_100000183359 [0,1,0,0,0,0|1,0,2]=4 7554 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,1,0,0,0,0|1,0,2]=4 7555 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,1,0,0,0,0|1,0,2]=4 7556 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,1,0,0,0,0|0,0,2]=3 7557 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,1,0,0,0,0|0,0,2]=3 7558 B12R0.248 CCCCC#CCOCC(=O)CC 7a_200000034558_100000747405 [0,1,0,0,0,0|1,0,2]=4 7559 B12R0.248 CCCCC#CCOCC(=O)NC 34a_200000034558_100000183359 [0,1,0,0,0,0|1,0,2]=4 7560 B12R0.248 CCCCC#CCOCC(=O)NC 7a_200000034558_100000183359 [0,1,0,0,0,0|1,0,2]=4 7561 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,1,0,0,0,0|1,0,2]=4 7562 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,1,0,0,0,0|1,0,2]=4 7563 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,1,0,0,0,0|0,0,2]=3 7564 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,1,0,0,0,0|0,0,2]=3 7565 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,1,0,0,0,0|0,0,2]=3 7566 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,1,0,0,0,0|0,0,2]=3 7567 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,1,0,0,0,0|0,0,2]=3 7568 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,1,0,0,0,0|0,0,2]=3 7569 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,1,0,0,0,0|0,0,2]=3 7570 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,1,0,0,0,0|0,0,2]=3 7571 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,1,0,0,0,0|0,0,2]=3 7572 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,1,0,0,0,0|0,0,2]=3 7573 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,1,0,0,0,0|0,0,2]=3 7574 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,1,0,0,0,0|2,0,1]=4 7575 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,0,0,0,0|0,0,2]=3 7576 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,0,0,0,0|0,0,2]=3 7577 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,0,0,0,0|0,0,2]=3 7578 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,0,0,0,0|0,0,2]=3 7579 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,0,0,0,0|0,0,2]=3 7580 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|0,0,0]=1 7581 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|0,0,0]=1 7582 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|0,0,0]=1 7583 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,0]=1 7584 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|0,0,0]=1 7585 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|0,0,0]=1 7586 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|0,0,0]=1 7587 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|0,0,0]=1 7588 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,1,0,0,0,0|1,0,1]=3 7589 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,0,0,0,0|0,0,2]=3 7590 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,0,0,0,0|0,0,2]=3 7591 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,0,0,0,0|0,0,2]=3 7592 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,0,0,0,0|0,0,2]=3 7593 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,1,0,0,0,0|2,0,0]=3 7594 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,1,0,0,0,0|2,0,0]=3 7595 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,1,0,0,0,0|2,0,0]=3 7596 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,1,0,0,0,0|2,0,0]=3 7597 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,1,0,0,0,0|2,0,0]=3 7598 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 7599 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 7600 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 7601 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 7602 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|1,0,0]=2 7603 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|1,0,0]=2 7604 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,1,0,0,0,0|1,0,0]=2 7605 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,1,0,0,0,0|1,0,0]=2 7606 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,1,0,0,0,0|1,0,0]=2 7607 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,1,0,0,0,0|1,0,0]=2 7608 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,1,0,0,0,0|1,0,0]=2 7609 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,1,0,0,0,0|1,0,0]=2 7610 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000229939_100000184139 [0,1,0,0,0,0|2,0,1]=4 7611 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000737613_100000210759 [0,1,0,0,0,0|2,0,1]=4 7612 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,1,0,0,0,0|2,0,1]=4 7613 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,1,0,0,0,0|2,0,1]=4 7614 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,1,0,0,0,0|2,0,1]=4 7615 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,1,0,0,0,0|1,0,2]=4 7616 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,1,0,0,0,0|1,0,2]=4 7617 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,1,0,0,0,0|1,0,2]=4 7618 B12R0.248 CCCCCCCCOC(C)C#N 34a_100011218135_100000210759 [0,1,0,0,0,0|2,0,1]=4 7619 B12R0.248 CCCCCCCCOC(C)C#N 7a_100000210232_100000703298 [0,1,0,0,0,0|2,0,1]=4 7620 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,1,0,0,0,0|2,0,1]=4 7621 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,1,0,0,0,0|2,0,1]=4 7622 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,1,0,0,0,0|2,0,1]=4 7623 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,1,0,0,0,0|2,0,1]=4 7624 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,1,0,0,0,0|2,0,1]=4 7625 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,1,0,0,0,0|2,0,1]=4 7626 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,1,0,0,0,0|1,0,2]=4 7627 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,1,0,0,0,0|1,0,2]=4 7628 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000210759_100000703298 [0,1,0,0,0,0|2,0,1]=4 7629 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000703298_100000210317 [0,1,0,0,0,0|2,0,1]=4 7630 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,1,0,0,0,0|2,0,1]=4 7631 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,1,0,0,0,0|2,0,1]=4 7632 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,1,0,0,0,0|1,0,2]=4 7633 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,1,0,0,0,0|1,0,2]=4 7634 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,1,0,0,0,0|1,0,2]=4 7635 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,1,0,0,0,0|1,0,2]=4 7636 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,1,0,0,0,0|1,0,2]=4 7637 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,1,0,0,0,0|1,0,0]=2 7638 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,1,0,0,0,0|1,0,0]=2 7639 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,0,0,0,0|1,0,0]=2 7640 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,1,0,0,0,0|2,0,1]=4 7641 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,1,0,0,0,0|2,0,1]=4 7642 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,1,0,0,0,0|2,0,1]=4 7643 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,1,0,0,0,0|1,0,2]=4 7644 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,1,0,0,0,0|1,0,2]=4 7645 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,1,0,0,0,0|1,0,2]=4 7646 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,1,0,0,0,0|1,0,2]=4 7647 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,1,0,0,0,0|2,0,1]=4 7648 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,1,0,0,0,0|1,0,2]=4 7649 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,1,0,0,0,0|1,0,2]=4 7650 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,1,0,0,0,0|2,0,1]=4 7651 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,1,0,0,0,0|1,0,2]=4 7652 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,1,0,0,0,0|1,0,2]=4 7653 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,1,0,0,0,0|1,0,2]=4 7654 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,0,0,0,0|1,0,0]=2 7655 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,0,0,0,0|1,0,0]=2 7656 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,1,0,0,0,0|1,0,0]=2 7657 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,1,0,0,0,0|1,0,0]=2 7658 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,1,0,0,0,0|1,0,0]=2 7659 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|1,0,0]=2 7660 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|1,0,0]=2 7661 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,1,0,0,0,0|2,0,1]=4 7662 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,1,0,0,0,0|2,0,1]=4 7663 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [0,1,0,0,0,0|2,0,1]=4 7664 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,1,0,0,0,0|1,0,2]=4 7665 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [0,1,0,0,0,0|2,0,1]=4 7666 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,1,0,0,0,0|1,0,2]=4 7667 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,1,0,0,0,0|1,0,2]=4 7668 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 7669 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 7670 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,1,0,0,0,0|2,0,1]=4 7671 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,1,0,0,0,0|2,0,1]=4 7672 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,1,0,0,0,0|2,0,1]=4 7673 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,1,0,0,0,0|1,0,2]=4 7674 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,1,0,0,0,0|1,0,2]=4 7675 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,1,0,0,0,0|1,0,2]=4 7676 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,1,0,0,0,0|1,0,2]=4 7677 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 7678 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 7679 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [0,1,0,0,0,0|2,0,1]=4 7680 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,0,0,0,0|1,0,0]=2 7681 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,0,0,0,0|1,0,0]=2 7682 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,1,0,0,0,0|1,0,0]=2 7683 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,1,0,0,0,0|1,0,0]=2 7684 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,0,0,0,0|1,0,0]=2 7685 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,0,0,0,0|1,0,0]=2 7686 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,1,0,0,0,0|2,0,1]=4 7687 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,1,0,0,0,0|2,0,1]=4 7688 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,1,0,0,0,0|1,0,2]=4 7689 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,1,0,0,0,0|1,0,2]=4 7690 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,1,0,0,0,0|1,0,2]=4 7691 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,1,0,0,0,0|1,0,2]=4 7692 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,1,0,0,0,0|2,0,1]=4 7693 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,1,0,0,0,0|2,0,1]=4 7694 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,1,0,0,0,0|1,0,2]=4 7695 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,1,0,0,0,0|1,0,2]=4 7696 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,1,0,0,0,0|1,0,2]=4 7697 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,1,0,0,0,0|1,0,2]=4 7698 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,1,0,0,0,0|1,0,2]=4 7699 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,1,0,0,0,0|1,0,2]=4 7700 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,1,0,0,0,0|1,0,0]=2 7701 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,1,0,0,0,0|1,0,0]=2 7702 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,1,0,0,0,0|1,0,0]=2 7703 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,0,0,0,0|1,0,0]=2 7704 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,1,0,0,0,0|2,0,1]=4 7705 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,1,0,0,0,0|1,0,2]=4 7706 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,1,0,0,0,0|1,0,2]=4 7707 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,1,0,0,0,0|2,0,1]=4 7708 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,1,0,0,0,0|1,0,0]=2 7709 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,1,0,0,0,0|1,0,0]=2 7710 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,1,0,0,0,0|1,0,0]=2 7711 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,0,0,0,0|1,0,0]=2 7712 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,0,0,0,0|1,0,0]=2 7713 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,1,0,0,0,0|2,0,1]=4 7714 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,1,0,0,0,0|1,0,2]=4 7715 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,1,0,0,0,0|1,0,0]=2 7716 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,1,0,0,0,0|1,0,0]=2 7717 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,0,0,0,0|1,0,0]=2 7718 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,0,0,0,0|1,0,0]=2 7719 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,1,0,0,0,0|2,0,0]=3 7720 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,1,0,0,0,0|1,0,2]=4 7721 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,1,0,0,0,0|1,0,0]=2 7722 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,1,0,0,0,0|1,0,0]=2 7723 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,1,0,0,0,0|1,0,0]=2 7724 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,0,0,0,0|1,0,0]=2 7725 B12R0.248 CCCCCNCCCN(C)CC 2230a_100000209983_100015186262 [0,1,0,0,0,0|3,0,0]=4 7726 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,1,0,0,0,0|2,0,0]=3 7727 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,1,0,0,0,0|2,0,0]=3 7728 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,1,0,0,0,0|2,0,1]=4 7729 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,1,0,0,0,0|1,0,2]=4 7730 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,1,0,0,0,0|1,0,2]=4 7731 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,1,0,0,0,0|1,0,0]=2 7732 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,1,0,0,0,0|1,0,0]=2 7733 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,1,0,0,0,0|2,0,0]=3 7734 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,0,0,0,0|1,0,0]=2 7735 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,0,0,0,0|1,0,0]=2 7736 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,1,0,0,0,0|2,0,1]=4 7737 B12R0.248 CCCCCOCCCN(C)CC 7a_100000210253_100015186262 [0,1,0,0,0,0|3,0,0]=4 7738 B12R0.248 CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000718602 [0,1,0,0,0,0|2,0,1]=4 7739 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,1,0,0,0,0|2,0,0]=3 7740 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,1,0,0,0,0|2,0,0]=3 7741 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,1,0,0,0,0|2,0,0]=3 7742 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,1,0,0,0,0|2,0,0]=3 7743 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,1,0,0,0,0|2,0,0]=3 7744 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,1,0,0,0,0|2,0,0]=3 7745 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,1,0,0,0,0|2,0,0]=3 7746 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,1,0,0,0,0|1,0,2]=4 7747 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,1,0,0,0,0|1,0,2]=4 7748 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,1,0,0,0,0|1,0,0]=2 7749 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,1,0,0,0,0|1,0,0]=2 7750 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,0,0,0,0|1,0,0]=2 7751 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,0,0,0,0|1,0,0]=2 7752 B12R0.248 CCCCCSCCCN(C)CC 62a_100000210326_100015186262 [0,1,0,0,0,0|3,0,0]=4 7753 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,1,0,0,0,0|2,0,0]=3 7754 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,1,0,0,0,0|2,0,0]=3 7755 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,0,0,0,0|1,0,0]=2 7756 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,0,0,0,0|1,0,0]=2 7757 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,1,0,0,0,0|2,0,0]=3 7758 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,1,0,0,0,0|2,0,0]=3 7759 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,1,0,0,0,0|2,0,1]=4 7760 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|1,0,0]=2 7761 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|1,0,0]=2 7762 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|1,0,0]=2 7763 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|1,0,0]=2 7764 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 7765 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 7766 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 7767 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,1,0,0,0,0|2,0,0]=3 7768 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,1,0,0,0,0|2,0,0]=3 7769 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,1,0,0,0,0|2,0,0]=3 7770 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,1,0,0,0,0|2,0,0]=3 7771 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,1,0,0,0,0|2,0,0]=3 7772 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,1,0,0,0,0|2,0,0]=3 7773 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,1,0,0,0,0|2,0,0]=3 7774 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,1,0,0,0,0|2,0,0]=3 7775 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,1,0,0,0,0|2,0,0]=3 7776 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,1,0,0,0,0|2,0,0]=3 7777 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,1,0,0,0,0|2,0,0]=3 7778 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,1,0,0,0,0|2,0,0]=3 7779 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,1,0,0,0,0|2,0,0]=3 7780 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,1,0,0,0,0|2,0,0]=3 7781 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,1,0,0,0,0|2,0,0]=3 7782 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,1,0,0,0,0|2,0,0]=3 7783 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,1,0,0,0,0|2,0,0]=3 7784 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,1,0,0,0,0|2,0,0]=3 7785 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,1,0,0,0,0|2,0,0]=3 7786 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,1,0,0,0,0|2,0,0]=3 7787 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,1,0,0,0,0|2,0,0]=3 7788 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,1,0,0,0,0|2,0,0]=3 7789 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,1,0,0,0,0|2,0,0]=3 7790 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,1,0,0,0,0|2,0,0]=3 7791 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,1,0,0,0,0|2,0,0]=3 7792 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,1,0,0,0,0|2,0,0]=3 7793 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,1,0,0,0,0|2,0,0]=3 7794 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,1,0,0,0,0|2,0,0]=3 7795 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,1,0,0,0,0|2,0,0]=3 7796 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,1,0,0,0,0|2,0,0]=3 7797 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,1,0,0,0,0|2,0,0]=3 7798 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,1,0,0,0,0|2,0,0]=3 7799 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,1,0,0,0,0|2,0,0]=3 7800 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,1,0,0,0,0|2,0,0]=3 7801 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,1,0,0,0,0|2,0,0]=3 7802 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,1,0,0,0,0|2,0,0]=3 7803 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,1,0,0,0,0|2,0,0]=3 7804 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,1,0,0,0,0|3,0,0]=4 7805 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,0,0,0,0|1,0,0]=2 7806 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,0,0,0,0|1,0,0]=2 7807 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,1,0,0,0,0|2,0,0]=3 7808 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,1,0,0,0,0|2,0,0]=3 7809 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,1,0,0,0,0|2,0,0]=3 7810 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,1,0,0,0,0|2,0,0]=3 7811 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,1,0,0,0,0|2,0,0]=3 7812 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,1,0,0,0,0|2,0,0]=3 7813 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,1,0,0,0,0|2,0,0]=3 7814 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,1,0,0,0,0|2,0,0]=3 7815 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,1,0,0,0,0|2,0,0]=3 7816 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [0,1,0,0,0,0|2,0,1]=4 7817 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,0,0,0,0|1,0,0]=2 7818 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,0,0,0,0|1,0,0]=2 7819 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,0,0,0,0|1,0,0]=2 7820 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,1,0,0,0,0|2,0,1]=4 7821 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,1,0,0,0,0|2,0,0]=3 7822 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,1,0,0,0,0|2,0,0]=3 7823 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,1,0,0,0,0|2,0,0]=3 7824 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,1,0,0,0,0|2,0,0]=3 7825 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,1,0,0,0,0|2,0,0]=3 7826 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,1,0,0,0,0|2,0,0]=3 7827 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,1,0,0,0,0|2,0,0]=3 7828 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,1,0,0,0,0|2,0,0]=3 7829 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,1,0,0,0,0|2,0,0]=3 7830 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,1,0,0,0,0|2,0,0]=3 7831 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,1,0,0,0,0|2,0,0]=3 7832 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,1,0,0,0,0|2,0,0]=3 7833 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,1,0,0,0,0|2,0,0]=3 7834 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,1,0,0,0,0|2,0,0]=3 7835 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,1,0,0,0,0|2,0,0]=3 7836 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,1,0,0,0,0|2,0,0]=3 7837 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,1,0,0,0,0|2,0,0]=3 7838 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,1,0,0,0,0|2,0,0]=3 7839 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,1,0,0,0,0|2,0,0]=3 7840 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,1,0,0,0,0|3,0,0]=4 7841 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,0,0,0,0|1,0,0]=2 7842 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,0,0,0,0|1,0,0]=2 7843 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,1,0,0,0,0|2,0,0]=3 7844 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,1,0,0,0,0|2,0,0]=3 7845 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,1,0,0,0,0|2,0,0]=3 7846 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,1,0,0,0,0|2,0,0]=3 7847 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,1,0,0,0,0|2,0,0]=3 7848 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,1,0,0,0,0|2,0,0]=3 7849 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,1,0,0,0,0|3,0,0]=4 7850 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,1,0,0,0,0|3,0,0]=4 7851 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,0,0,0,0|1,0,0]=2 7852 B12R0.248 CCNN=CCCCCC(=O)OC 4a_100000756455_100000052768 [0,1,0,0,0,0|2,0,1]=4 7853 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,0,0,0,0|1,0,0]=2 7854 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,0,0,0,0|1,0,0]=2 7855 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,0,0,0,0|1,0,0]=2 7856 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,1,0,0,0,0|2,0,0]=3 7857 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,1,0,0,0,0|2,0,0]=3 7858 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,1,0,0,0,0|2,0,0]=3 7859 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,1,0,0,0,0|2,0,0]=3 7860 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,1,0,0,0,0|2,0,0]=3 7861 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,1,0,0,0,0|2,0,0]=3 7862 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,1,0,0,0,0|2,0,0]=3 7863 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,1,0,0,0,0|2,0,0]=3 7864 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,1,0,0,0,0|2,0,0]=3 7865 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,1,0,0,0,0|2,0,0]=3 7866 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,1,0,0,0,0|2,0,0]=3 7867 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,1,0,0,0,0|2,0,0]=3 7868 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,1,0,0,0,0|2,0,0]=3 7869 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,1,0,0,0,0|2,0,0]=3 7870 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,1,0,0,0,0|2,0,0]=3 7871 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,1,0,0,0,0|3,0,0]=4 7872 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,1,0,0,0,0|2,0,0]=3 7873 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,1,0,0,0,0|2,0,0]=3 7874 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,1,0,0,0,0|2,0,0]=3 7875 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,1,0,0,0,0|2,0,0]=3 7876 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,1,0,0,0,0|2,0,0]=3 7877 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,1,0,0,0,0|2,0,0]=3 7878 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [0,1,0,0,0,0|3,0,0]=4 7879 B12R0.248 CCOCCNCCNC(=O)NC 34a_100015205895_100000210147 [0,1,0,0,0,0|3,0,0]=4 7880 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [0,1,0,0,0,0|3,0,0]=4 7881 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,1,0,0,0,0|2,0,0]=3 7882 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,1,0,0,0,0|2,0,0]=3 7883 B12R0.248 CCOCCOCCCC(=O)NN 34a_100000211488_100000210147 [0,1,0,0,0,0|3,0,0]=4 7884 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,1,0,0,0,0|2,0,0]=3 7885 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,1,0,0,0,0|2,0,0]=3 7886 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 7887 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 7888 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 7889 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [0,1,0,0,0,0|3,0,0]=4 7890 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 7891 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [0,1,0,0,0,0|3,0,0]=4 7892 B12R0.248 CCOCCOCCNC(=O)CO 240690a_100102712874_100000210174 [0,1,0,0,0,0|3,0,0]=4 7893 B12R0.248 CCOCCOCCNC(=O)CO 527a_100102712874_100000210174 [0,1,0,0,0,0|3,0,0]=4 7894 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102657272_100102712874 [0,1,0,0,0,0|3,0,0]=4 7895 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102712874_106832991635 [0,1,0,0,0,0|3,0,0]=4 7896 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102657272_100102712874 [0,1,0,0,0,0|3,0,0]=4 7897 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102712874_100102657272 [0,1,0,0,0,0|3,0,0]=4 7898 B12R0.248 CCOCCOCCNC(=O)NC 512a_100102712874_100102657272 [0,1,0,0,0,0|3,0,0]=4 7899 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,1,0,0,0,0|3,0,0]=4 7900 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,1,0,0,0,0|3,0,0]=4 7901 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [0,1,0,0,0,0|3,0,0]=4 7902 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [0,1,0,0,0,0|3,0,0]=4 7903 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,1,0,0,0,0|3,0,0]=4 7904 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,1,0,0,0,0|2,0,0]=3 7905 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,1,0,0,0,0|2,0,0]=3 7906 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,1,0,0,0,0|2,0,0]=3 7907 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,1,0,0,0,0|2,0,0]=3 7908 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [0,1,0,0,0,0|3,0,0]=4 7909 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [0,1,0,0,0,0|3,0,0]=4 7910 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,1,0,0,0,0|2,0,0]=3 7911 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,1,0,0,0,0|2,0,0]=3 7912 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,1,0,0,0,0|3,0,0]=4 7913 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,1,0,0,0,0|3,0,0]=4 7914 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,0,0,0,0|1,0,0]=2 7915 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,0,0,0,0|1,0,0]=2 7916 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,1,0,0,0,0|2,0,0]=3 7917 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,1,0,0,0,0|2,0,0]=3 7918 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,1,0,0,0,0|2,0,0]=3 7919 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,1,0,0,0,0|2,0,0]=3 7920 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,1,0,0,0,0|2,0,0]=3 7921 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,1,0,0,0,0|2,0,0]=3 7922 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,1,0,0,0,0|2,0,0]=3 7923 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,1,0,0,0,0|2,0,0]=3 7924 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [0,1,0,0,0,0|3,0,0]=4 7925 B12R0.248 CCSCCNCCNC(=O)NC 34a_100015205895_100000757381 [0,1,0,0,0,0|3,0,0]=4 7926 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,1,0,0,0,0|2,0,0]=3 7927 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,1,0,0,0,0|2,0,0]=3 7928 B12R0.248 CCSCCOCCCC(=O)NN 34a_100000211488_100000757381 [0,1,0,0,0,0|3,0,0]=4 7929 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,1,0,0,0,0|2,0,0]=3 7930 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,1,0,0,0,0|2,0,0]=3 7931 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [0,1,0,0,0,0|3,0,0]=4 7932 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [0,1,0,0,0,0|3,0,0]=4 7933 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,1,0,0,0,0|3,0,0]=4 7934 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,1,0,0,0,0|3,0,0]=4 7935 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [0,1,0,0,0,0|3,0,0]=4 7936 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [0,1,0,0,0,0|3,0,0]=4 7937 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,1,0,0,0,0|3,0,0]=4 7938 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,1,0,0,0,0|2,0,0]=3 7939 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,1,0,0,0,0|2,0,0]=3 7940 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,1,0,0,0,0|2,0,0]=3 7941 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,1,0,0,0,0|2,0,0]=3 7942 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [0,1,0,0,0,0|3,0,0]=4 7943 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [0,1,0,0,0,0|3,0,0]=4 7944 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,0,0,0,0|1,0,0]=2 7945 B12R0.248 CNC(=O)CCCNCCCC#N 2230a_100000740002_100000687738 [0,1,0,0,0,0|2,0,1]=4 7946 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [0,1,0,0,0,0|2,0,1]=4 7947 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,1,0,0,0,0|2,0,0]=3 7948 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,1,0,0,0,0|2,0,0]=3 7949 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,1,0,0,0,0|2,0,0]=3 7950 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,1,0,0,0,0|2,0,0]=3 7951 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,1,0,0,0,0|2,0,0]=3 7952 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,1,0,0,0,0|2,0,0]=3 7953 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,1,0,0,0,0|2,0,0]=3 7954 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,1,0,0,0,0|2,0,0]=3 7955 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,1,0,0,0,0|2,0,0]=3 7956 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,1,0,0,0,0|2,0,0]=3 7957 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,1,0,0,0,0|2,0,0]=3 7958 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,1,0,0,0,0|2,0,0]=3 7959 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,1,0,0,0,0|2,0,0]=3 7960 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,1,0,0,0,0|2,0,0]=3 7961 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,1,0,0,0,0|2,0,0]=3 7962 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,1,0,0,0,0|2,0,0]=3 7963 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,1,0,0,0,0|2,0,0]=3 7964 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,1,0,0,0,0|2,0,0]=3 7965 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,1,0,0,0,0|2,0,0]=3 7966 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,1,0,0,0,0|2,0,0]=3 7967 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000687738_100000741757 [0,1,0,0,0,0|2,0,1]=4 7968 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000741757_100000687738 [0,1,0,0,0,0|2,0,1]=4 7969 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [0,1,0,0,0,0|2,0,1]=4 7970 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [0,1,0,0,0,0|2,0,1]=4 7971 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,1,0,0,0,0|2,0,0]=3 7972 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,1,0,0,0,0|2,0,0]=3 7973 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,1,0,0,0,0|2,0,0]=3 7974 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,1,0,0,0,0|2,0,0]=3 7975 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,1,0,0,0,0|2,0,0]=3 7976 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,1,0,0,0,0|2,0,0]=3 7977 B12R0.248 CNC(=O)CCNCCCCC#N 2230a_100000738227_100000211819 [0,1,0,0,0,0|2,0,1]=4 7978 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [0,1,0,0,0,0|2,0,1]=4 7979 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,1,0,0,0,0|2,0,0]=3 7980 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,1,0,0,0,0|2,0,0]=3 7981 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,1,0,0,0,0|2,0,0]=3 7982 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,1,0,0,0,0|2,0,0]=3 7983 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,1,0,0,0,0|2,0,0]=3 7984 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,1,0,0,0,0|2,0,0]=3 7985 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,1,0,0,0,0|2,0,0]=3 7986 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,1,0,0,0,0|2,0,0]=3 7987 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000211614_100000737683 [0,1,0,0,0,0|3,0,0]=4 7988 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000738227_100011215305 [0,1,0,0,0,0|3,0,0]=4 7989 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000211614_100012179268 [0,1,0,0,0,0|3,0,0]=4 7990 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000738227_100000692535 [0,1,0,0,0,0|3,0,0]=4 7991 B12R0.248 CNC(=O)CCNCCSCCO 2230a_100011219999_100000737683 [0,1,0,0,0,0|3,0,0]=4 7992 B12R0.248 CNC(=O)CCNCOCCOC 2230a_100000738227_100000231047 [0,1,0,0,0,0|3,0,0]=4 7993 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,1,0,0,0,0|2,0,0]=3 7994 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,1,0,0,0,0|2,0,0]=3 7995 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,1,0,0,0,0|2,0,0]=3 7996 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,1,0,0,0,0|2,0,0]=3 7997 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,1,0,0,0,0|2,0,0]=3 7998 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,1,0,0,0,0|2,0,0]=3 7999 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,1,0,0,0,0|2,0,0]=3 8000 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,1,0,0,0,0|2,0,0]=3 8001 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,1,0,0,0,0|2,0,0]=3 8002 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,1,0,0,0,0|2,0,0]=3 8003 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,1,0,0,0,0|2,0,0]=3 8004 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,1,0,0,0,0|2,0,0]=3 8005 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,1,0,0,0,0|2,0,0]=3 8006 B12R0.248 CNC(=O)CCOCCOCCBr 34a_100000692535_100012179268 [0,1,0,0,0,0|3,0,0]=4 8007 B12R0.248 CNC(=O)CCOCCOCCBr 7a_100000692535_100000737683 [0,1,0,0,0,0|3,0,0]=4 8008 B12R0.248 CNC(=O)CCOCCOCCCl 34a_100011215305_100012179268 [0,1,0,0,0,0|3,0,0]=4 8009 B12R0.248 CNC(=O)CCOCCOCCCl 7a_100011215305_100000737683 [0,1,0,0,0,0|3,0,0]=4 8010 B12R0.248 CNC(=O)CCOCCOCCF 34a_200015357709_100012179268 [0,1,0,0,0,0|3,0,0]=4 8011 B12R0.248 CNC(=O)CCOCCOCCF 7a_200015357709_100000737683 [0,1,0,0,0,0|3,0,0]=4 8012 B12R0.248 CNC(=O)CCOCCOCCI 34a_100012149058_100012179268 [0,1,0,0,0,0|3,0,0]=4 8013 B12R0.248 CNC(=O)CCOCCOCCI 7a_100012149058_100000737683 [0,1,0,0,0,0|3,0,0]=4 8014 B12R0.248 CNC(=O)CCOCCOCCN 34a_100000211614_100012179268 [0,1,0,0,0,0|3,0,0]=4 8015 B12R0.248 CNC(=O)CCOCCOCCO 1626a_100102657272_100009915118 [0,1,0,0,0,0|3,0,0]=4 8016 B12R0.248 CNC(=O)CCOCCOCCO 240690a_100102657272_100009915118 [0,1,0,0,0,0|3,0,0]=4 8017 B12R0.248 CNC(=O)CCOCCOCCO 34a_100000754576_100000692535 [0,1,0,0,0,0|3,0,0]=4 8018 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100000737683_100000211819 [0,1,0,0,0,0|2,0,1]=4 8019 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100011219923_100000737683 [0,1,0,0,0,0|2,0,1]=4 8020 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [0,1,0,0,0,0|2,0,1]=4 8021 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [0,1,0,0,0,0|2,0,1]=4 8022 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,1,0,0,0,0|2,0,0]=3 8023 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,1,0,0,0,0|2,0,0]=3 8024 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,1,0,0,0,0|2,0,0]=3 8025 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,1,0,0,0,0|2,0,0]=3 8026 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,1,0,0,0,0|2,0,0]=3 8027 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,1,0,0,0,0|2,0,0]=3 8028 B12R0.248 CNC(=O)CCSCCOCCO 62a_100000737683_100011215305 [0,1,0,0,0,0|3,0,0]=4 8029 B12R0.248 CNC(=O)CCSCCOCCO 62a_100011215305_100000737683 [0,1,0,0,0,0|3,0,0]=4 8030 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000231047_100000737683 [0,1,0,0,0,0|3,0,0]=4 8031 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000737683_100000231047 [0,1,0,0,0,0|3,0,0]=4 8032 B12R0.248 CNC(=O)CNCCCCCC#N 2230a_100000693194_100009813376 [0,1,0,0,0,0|2,0,1]=4 8033 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [0,1,0,0,0,0|2,0,1]=4 8034 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,1,0,0,0,0|2,0,0]=3 8035 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,1,0,0,0,0|2,0,0]=3 8036 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,1,0,0,0,0|2,0,0]=3 8037 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,1,0,0,0,0|2,0,0]=3 8038 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,1,0,0,0,0|2,0,0]=3 8039 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,1,0,0,0,0|2,0,0]=3 8040 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000693194_100000695917 [0,1,0,0,0,0|3,0,0]=4 8041 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000745349_100000183359 [0,1,0,0,0,0|3,0,0]=4 8042 B12R0.248 CNC(=O)CNCCOCCOC 34a_100000745349_100000183359 [0,1,0,0,0,0|3,0,0]=4 8043 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,1,0,0,0,0|2,0,0]=3 8044 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,1,0,0,0,0|2,0,0]=3 8045 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,1,0,0,0,0|2,0,0]=3 8046 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,1,0,0,0,0|2,0,0]=3 8047 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,1,0,0,0,0|2,0,0]=3 8048 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,1,0,0,0,0|2,0,0]=3 8049 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,1,0,0,0,0|2,0,0]=3 8050 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,1,0,0,0,0|2,0,0]=3 8051 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,1,0,0,0,0|2,0,0]=3 8052 B12R0.248 CNC(=O)COCCOCCOC 11a_106832991635_100011214951 [0,1,0,0,0,0|3,0,0]=4 8053 B12R0.248 CNC(=O)COCCOCCOC 1626a_100102657272_100011214951 [0,1,0,0,0,0|3,0,0]=4 8054 B12R0.248 CNC(=O)COCCOCCOC 240690a_100102657272_100011214951 [0,1,0,0,0,0|3,0,0]=4 8055 B12R0.248 CNC(=O)COCCOCCOC 34a_100000750040_100000695917 [0,1,0,0,0,0|3,0,0]=4 8056 B12R0.248 CNC(=O)COCCOCCOC 34a_100011215163_100000183359 [0,1,0,0,0,0|3,0,0]=4 8057 B12R0.248 CNC(=O)COCCOCCOC 527a_100102657272_100011214951 [0,1,0,0,0,0|3,0,0]=4 8058 B12R0.248 CNC(=O)COCCOCCOC 7a_100011215163_100000183359 [0,1,0,0,0,0|3,0,0]=4 8059 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100000183359_100009813376 [0,1,0,0,0,0|2,0,1]=4 8060 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100009813376_100000183359 [0,1,0,0,0,0|2,0,1]=4 8061 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [0,1,0,0,0,0|2,0,1]=4 8062 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [0,1,0,0,0,0|2,0,1]=4 8063 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,1,0,0,0,0|2,0,0]=3 8064 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,1,0,0,0,0|2,0,0]=3 8065 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,1,0,0,0,0|2,0,0]=3 8066 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,1,0,0,0,0|2,0,0]=3 8067 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000183359_100000695917 [0,1,0,0,0,0|3,0,0]=4 8068 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000695917_100000183359 [0,1,0,0,0,0|3,0,0]=4 8069 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,1,0,0,0,0|2,0,0]=3 8070 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,1,0,0,0,0|2,0,0]=3 8071 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,1,0,0,0,0|2,0,0]=3 8072 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,1,0,0,0,0|2,0,0]=3 8073 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,1,0,0,0,0|2,0,0]=3 8074 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,1,0,0,0,0|2,0,0]=3 8075 B12R0.248 CNC(=O)NCCCOCCCO 2708a_100102657272_100011310245 [0,1,0,0,0,0|3,0,0]=4 8076 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100011310245_100102657272 [0,1,0,0,0,0|3,0,0]=4 8077 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100102657272_100011310245 [0,1,0,0,0,0|3,0,0]=4 8078 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100000206027_106832991635 [0,1,0,0,0,0|3,0,0]=4 8079 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100102657272_100000206027 [0,1,0,0,0,0|3,0,0]=4 8080 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100000206027_100102657272 [0,1,0,0,0,0|3,0,0]=4 8081 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100102657272_100000206027 [0,1,0,0,0,0|3,0,0]=4 8082 B12R0.248 CNC(=O)NCCNCCCCF 34a_100015205895_100000729493 [0,1,0,0,0,0|3,0,0]=4 8083 B12R0.248 CNC(=O)NCCNCCCCO 34a_100015205895_100011216708 [0,1,0,0,0,0|3,0,0]=4 8084 B12R0.248 CNC(=O)NCCNCCCOC 34a_100015205895_100000740836 [0,1,0,0,0,0|3,0,0]=4 8085 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [0,1,0,0,0,0|3,0,0]=4 8086 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [0,1,0,0,0,0|3,0,0]=4 8087 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [0,1,0,0,0,0|3,0,0]=4 8088 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [0,1,0,0,0,0|3,0,0]=4 8089 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [0,1,0,0,0,0|3,0,0]=4 8090 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [0,1,0,0,0,0|3,0,0]=4 8091 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [0,1,0,0,0,0|3,0,0]=4 8092 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [0,1,0,0,0,0|3,0,0]=4 8093 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [0,1,0,0,0,0|3,0,0]=4 8094 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [0,1,0,0,0,0|3,0,0]=4 8095 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [0,1,0,0,0,0|3,0,0]=4 8096 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [0,1,0,0,0,0|3,0,0]=4 8097 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [0,1,0,0,0,0|3,0,0]=4 8098 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [0,1,0,0,0,0|3,0,0]=4 8099 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [0,1,0,0,0,0|3,0,0]=4 8100 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [0,1,0,0,0,0|3,0,0]=4 8101 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [0,1,0,0,0,0|3,0,0]=4 8102 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [0,1,0,0,0,0|3,0,0]=4 8103 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,0,0,0,0|1,0,0]=2 8104 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,0,0,0,0|1,0,0]=2 8105 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,0,0,0,0|1,0,0]=2 8106 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,1,0,0,0,0|2,0,0]=3 8107 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,0,0,0,0|2,0,0]=3 8108 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,1,0,0,0,0|2,0,0]=3 8109 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,1,0,0,0,0|2,0,0]=3 8110 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [0,1,0,0,0,0|3,0,0]=4 8111 B12R0.248 CNCCOCCOCC(=O)NC 34a_100000228057_100000183359 [0,1,0,0,0,0|3,0,0]=4 8112 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,1,0,0,0,0|3,0,0]=4 8113 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|1,0,0]=2 8114 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|1,0,0]=2 8115 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,0,0,0,0|1,0,0]=2 8116 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,0,0,0,0|1,0,0]=2 8117 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,0,0,0,0|1,0,0]=2 8118 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,0,0,0,0|1,0,0]=2 8119 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,1,0,0,0,0|2,0,0]=3 8120 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,1,0,0,0,0|2,0,0]=3 8121 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,1,0,0,0,0|2,0,0]=3 8122 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,1,0,0,0,0|2,0,0]=3 8123 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,1,0,0,0,0|2,0,0]=3 8124 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,1,0,0,0,0|2,0,0]=3 8125 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,1,0,0,0,0|2,0,0]=3 8126 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [0,1,0,0,0,0|2,0,1]=4 8127 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,1,0,0,0,0|2,0,1]=4 8128 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,1,0,0,0,0|2,0,1]=4 8129 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,1,0,0,0,0|2,0,0]=3 8130 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,1,0,0,0,0|2,0,0]=3 8131 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,1,0,0,0,0|2,0,0]=3 8132 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,1,0,0,0,0|2,0,0]=3 8133 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,1,0,0,0,0|2,0,0]=3 8134 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,1,0,0,0,0|2,0,0]=3 8135 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,1,0,0,0,0|2,0,0]=3 8136 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [0,1,0,0,0,0|2,0,1]=4 8137 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [0,1,0,0,0,0|2,0,1]=4 8138 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,1,0,0,0,0|2,0,1]=4 8139 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,1,0,0,0,0|2,0,1]=4 8140 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,1,0,0,0,0|2,0,0]=3 8141 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,1,0,0,0,0|2,0,0]=3 8142 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,1,0,0,0,0|2,0,0]=3 8143 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,1,0,0,0,0|2,0,0]=3 8144 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,1,0,0,0,0|2,0,0]=3 8145 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,1,0,0,0,0|2,0,0]=3 8146 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,1,0,0,0,0|2,0,0]=3 8147 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,1,0,0,0,0|2,0,0]=3 8148 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,1,0,0,0,0|2,0,0]=3 8149 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [0,1,0,0,0,0|2,0,1]=4 8150 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,1,0,0,0,0|2,0,0]=3 8151 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,1,0,0,0,0|2,0,0]=3 8152 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,1,0,0,0,0|2,0,0]=3 8153 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,1,0,0,0,0|2,0,0]=3 8154 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,1,0,0,0,0|2,0,0]=3 8155 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,1,0,0,0,0|2,0,0]=3 8156 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,1,0,0,0,0|2,0,0]=3 8157 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,1,0,0,0,0|2,0,0]=3 8158 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [0,1,0,0,0,0|3,0,0]=4 8159 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,1,0,0,0,0|2,0,0]=3 8160 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,1,0,0,0,0|2,0,0]=3 8161 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,1,0,0,0,0|2,0,0]=3 8162 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,1,0,0,0,0|2,0,0]=3 8163 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [0,1,0,0,0,0|2,0,1]=4 8164 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [0,1,0,0,0,0|2,0,1]=4 8165 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,1,0,0,0,0|2,0,0]=3 8166 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,1,0,0,0,0|2,0,0]=3 8167 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,1,0,0,0,0|2,0,0]=3 8168 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,1,0,0,0,0|2,0,0]=3 8169 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,1,0,0,0,0|2,0,0]=3 8170 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,1,0,0,0,0|2,0,0]=3 8171 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,0,0,0,0|2,0,0]=3 8172 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,0]=3 8173 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,1,0,0,0,0|2,0,0]=3 8174 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,1,0,0,0,0|2,0,0]=3 8175 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,1,0,0,0,0|2,0,0]=3 8176 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,1,0,0,0,0|2,0,0]=3 8177 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,1,0,0,0,0|2,0,0]=3 8178 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,1,0,0,0,0|2,0,0]=3 8179 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,1,0,0,0,0|2,0,0]=3 8180 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,1,0,0,0,0|2,0,0]=3 8181 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,1,0,0,0,0|2,0,0]=3 8182 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,1,0,0,0,0|2,0,0]=3 8183 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [0,1,0,0,0,0|2,0,1]=4 8184 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [0,1,0,0,0,0|2,0,1]=4 8185 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,1,0,0,0,0|2,0,1]=4 8186 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,1,0,0,0,0|2,0,1]=4 8187 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,1,0,0,0,0|2,0,0]=3 8188 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,1,0,0,0,0|2,0,0]=3 8189 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,0,0,0,0|2,0,0]=3 8190 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,0,0,0,0|2,0,0]=3 8191 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,0,0,0,0|2,0,0]=3 8192 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,0]=3 8193 B12R0.248 COC(=O)CCNCCOCCO 2230a_100000211614_100000204255 [0,1,0,0,0,0|3,0,0]=4 8194 B12R0.248 COC(=O)CCNCCOCCO 34a_100000211614_100000742370 [0,1,0,0,0,0|3,0,0]=4 8195 B12R0.248 COC(=O)CCNCCSCCO 2230a_100011219999_100000204255 [0,1,0,0,0,0|3,0,0]=4 8196 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,1,0,0,0,0|2,0,0]=3 8197 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,1,0,0,0,0|2,0,0]=3 8198 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,1,0,0,0,0|2,0,0]=3 8199 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,1,0,0,0,0|2,0,0]=3 8200 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,1,0,0,0,0|2,0,0]=3 8201 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,1,0,0,0,0|2,0,0]=3 8202 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,1,0,0,0,0|2,0,0]=3 8203 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,1,0,0,0,0|2,0,0]=3 8204 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,1,0,0,0,0|2,0,0]=3 8205 B12R0.248 COC(=O)CCOCCOCCBr 34a_100000692535_100000742370 [0,1,0,0,0,0|3,0,0]=4 8206 B12R0.248 COC(=O)CCOCCOCCBr 7a_100000692535_100000204255 [0,1,0,0,0,0|3,0,0]=4 8207 B12R0.248 COC(=O)CCOCCOCCCl 34a_100011215305_100000742370 [0,1,0,0,0,0|3,0,0]=4 8208 B12R0.248 COC(=O)CCOCCOCCCl 7a_100011215305_100000204255 [0,1,0,0,0,0|3,0,0]=4 8209 B12R0.248 COC(=O)CCOCCOCCF 34a_200015357709_100000742370 [0,1,0,0,0,0|3,0,0]=4 8210 B12R0.248 COC(=O)CCOCCOCCF 7a_200015357709_100000204255 [0,1,0,0,0,0|3,0,0]=4 8211 B12R0.248 COC(=O)CCOCCOCCI 34a_100012149058_100000742370 [0,1,0,0,0,0|3,0,0]=4 8212 B12R0.248 COC(=O)CCOCCOCCI 7a_100012149058_100000204255 [0,1,0,0,0,0|3,0,0]=4 8213 B12R0.248 COC(=O)CCOCCOCCN 34a_100000211614_100000742370 [0,1,0,0,0,0|3,0,0]=4 8214 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [0,1,0,0,0,0|2,0,1]=4 8215 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [0,1,0,0,0,0|2,0,1]=4 8216 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,1,0,0,0,0|2,0,1]=4 8217 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,1,0,0,0,0|2,0,1]=4 8218 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,1,0,0,0,0|2,0,0]=3 8219 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,1,0,0,0,0|2,0,0]=3 8220 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,0,0,0,0|2,0,0]=3 8221 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,0,0,0,0|2,0,0]=3 8222 B12R0.248 COC(=O)CCSCCOCCO 62a_100000204255_100011215305 [0,1,0,0,0,0|3,0,0]=4 8223 B12R0.248 COC(=O)CCSCCOCCO 62a_100011215305_100000204255 [0,1,0,0,0,0|3,0,0]=4 8224 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,0,0,0,0|2,0,0]=3 8225 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,0]=3 8226 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,1,0,0,0,0|2,0,0]=3 8227 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,1,0,0,0,0|2,0,0]=3 8228 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,1,0,0,0,0|2,0,0]=3 8229 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,1,0,0,0,0|2,0,0]=3 8230 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,1,0,0,0,0|2,0,0]=3 8231 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,1,0,0,0,0|2,0,0]=3 8232 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,1,0,0,0,0|2,0,0]=3 8233 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,1,0,0,0,0|3,0,0]=4 8234 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,1,0,0,0,0|3,0,0]=4 8235 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,1,0,0,0,0|3,0,0]=4 8236 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,1,0,0,0,0|3,0,0]=4 8237 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,1,0,0,0,0|3,0,0]=4 8238 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,1,0,0,0,0|3,0,0]=4 8239 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,1,0,0,0,0|3,0,0]=4 8240 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,1,0,0,0,0|3,0,0]=4 8241 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,1,0,0,0,0|3,0,0]=4 8242 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,1,0,0,0,0|3,0,0]=4 8243 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,1,0,0,0,0|3,0,0]=4 8244 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,1,0,0,0,0|3,0,0]=4 8245 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,1,0,0,0,0|3,0,0]=4 8246 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,1,0,0,0,0|3,0,0]=4 8247 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,1,0,0,0,0|3,0,0]=4 8248 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,1,0,0,0,0|3,0,0]=4 8249 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,1,0,0,0,0|3,0,0]=4 8250 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,1,0,0,0,0|2,0,1]=4 8251 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,1,0,0,0,0|2,0,1]=4 8252 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,1,0,0,0,0|2,0,1]=4 8253 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,1,0,0,0,0|2,0,1]=4 8254 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,1,0,0,0,0|2,0,0]=3 8255 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,1,0,0,0,0|2,0,0]=3 8256 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,0,0,0,0|2,0,0]=3 8257 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,0,0,0,0|2,0,0]=3 8258 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,1,0,0,0,0|3,0,0]=4 8259 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,1,0,0,0,0|3,0,0]=4 8260 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,1,0,0,0,0|3,0,0]=4 8261 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,1,0,0,0,0|3,0,0]=4 8262 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,1,0,0,0,0|3,0,0]=4 8263 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,1,0,0,0,0|3,0,0]=4 8264 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|1,0,0]=2 8265 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|1,0,0]=2 8266 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|1,0,0]=2 8267 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,0,0,0,0|2,0,0]=3 8268 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,0,0,0,0|2,0,0]=3 8269 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,1,0,0,0,0|2,0,0]=3 8270 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,1,0,0,0,0|2,0,0]=3 8271 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,1,0,0,0,0|2,0,0]=3 8272 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,1,0,0,0,0|3,0,0]=4 8273 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,1,0,0,0,0|2,0,0]=3 8274 B12R0.248 COCCCOCCCC(=O)NN 34a_100000211488_100000740836 [0,1,0,0,0,0|3,0,0]=4 8275 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,1,0,0,0,0|2,0,0]=3 8276 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,1,0,0,0,0|3,0,0]=4 8277 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,1,0,0,0,0|3,0,0]=4 8278 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,1,0,0,0,0|2,0,0]=3 8279 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,1,0,0,0,0|2,0,0]=3 8280 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,1,0,0,0,0|2,0,0]=3 8281 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,1,0,0,0,0|3,0,0]=4 8282 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,1,0,0,0,0|2,0,0]=3 8283 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,1,0,0,0,0|2,0,0]=3 8284 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,1,0,0,0,0|2,0,0]=3 8285 B12R0.248 COCCOCCCNC(=O)CO 240690a_100000206027_100000210174 [0,1,0,0,0,0|3,0,0]=4 8286 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,1,0,0,0,0|3,0,0]=4 8287 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,1,0,0,0,0|3,0,0]=4 8288 B12R0.248 COCCOCCOCC(=O)CF 1458a_100011214951_100015361967 [0,1,0,0,0,0|3,0,0]=4 8289 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,1,0,0,0,0|3,0,0]=4 8290 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,1,0,0,0,0|3,0,0]=4 8291 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,1,0,0,0,0|3,0,0]=4 8292 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,1,0,0,0,0|3,0,0]=4 8293 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,1,0,0,0,0|3,0,0]=4 8294 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,1,0,0,0,0|3,0,0]=4 8295 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,1,0,0,0,0|3,0,0]=4 8296 B12R0.248 COCCOCSCCC(=O)OC 62a_100000204255_100000231047 [0,1,0,0,0,0|3,0,0]=4 8297 B12R0.248 COCCOCSCCC(=O)OC 62a_100000231047_100000204255 [0,1,0,0,0,0|3,0,0]=4 8298 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,1,0,0,0,0|2,0,0]=3 8299 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,1,0,0,0,0|2,0,0]=3 8300 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,1,0,0,0,0|3,0,0]=4 8301 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,1,0,0,0,0|3,0,0]=4 8302 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,1,0,0,0,0|2,0,0]=3 8303 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,1,0,0,0,0|2,0,0]=3 8304 B12R0.248 NNC(=O)CCCOCCCCF 34a_100000211488_100000729493 [0,1,0,0,0,0|3,0,0]=4 8305 B12R0.248 NNC(=O)CCCOCCCCO 34a_100000211488_100011216708 [0,1,0,0,0,0|3,0,0]=4 8306 B12R0.248 O=C(CF)CCOCCOCCO 1458a_100009915118_100015361967 [0,1,0,0,0,0|3,0,0]=4 8307 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|1,0,0]=2 8308 B12R0.248 O=C(CO)CCOCCOCCO 1458a_100000210174_100000032323 [0,1,0,0,0,0|3,0,0]=4 8309 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,0,0,0,0|2,0,0]=3 8310 B12R0.248 O=C(CO)NCCCOCCCO 240690a_100011310245_100000210174 [0,1,0,0,0,0|3,0,0]=4 8311 B12R0.251 C#CCCCCCOC(C)C(=O)C 34a_100000212229_100012094781 [0,1,0,0,0,0|1,0,2]=4 8312 B12R0.251 C#CCCCCCOC(C)C(=O)C 7a_100000766912_100000179758 [0,1,0,0,0,0|1,0,2]=4 8313 B12R0.251 C#CCCCCCSC(C)C(=O)C 62a_100009814033_100012094781 [0,1,0,0,0,0|1,0,2]=4 8314 B12R0.251 C#CCCCCCSC(C)C(=O)C 62a_100012094781_100009814033 [0,1,0,0,0,0|1,0,2]=4 8315 B12R0.251 C#CCCCCOCC(C)C(=O)C 34a_100000032740_100010269958 [0,1,0,0,0,0|1,0,2]=4 8316 B12R0.251 C#CCCCCOCC(C)C(=O)C 7a_100000032740_100010269958 [0,1,0,0,0,0|1,0,2]=4 8317 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,1,0,0,0,0|1,0,1]=3 8318 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,1,0,0,0,0|2,0,1]=4 8319 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,1,0,0,0,0|2,0,1]=4 8320 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,1,0,0,0,0|2,0,1]=4 8321 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,1,0,0,0,0|2,0,1]=4 8322 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,1,0,0,0,0|2,0,0]=3 8323 B12R0.251 C=C(C)C(C)NCCCCCCO 269862a_100000686447_100011216138 [0,1,0,0,0,0|3,0,0]=4 8324 B12R0.251 C=C(C)C(C)NCCCCCOC 269862a_100000747528_100011216138 [0,1,0,0,0,0|3,0,0]=4 8325 B12R0.251 C=C(C)C(C)NCCCOCCC 269862a_100011217757_100011216138 [0,1,0,0,0,0|3,0,0]=4 8326 B12R0.251 C=C(C)C(C)NCCSCCCC 269862a_100025743550_100011216138 [0,1,0,0,0,0|3,0,0]=4 8327 B12R0.251 C=CCCCCCOC(C)C(=O)C 34a_100000212229_100000700193 [0,1,0,0,0,0|1,0,2]=4 8328 B12R0.251 C=CCCCCCOC(C)C(=O)C 7a_100011216702_100000179758 [0,1,0,0,0,0|1,0,2]=4 8329 B12R0.251 C=CCCCCCSC(C)C(=O)C 62a_100000700193_100009814033 [0,1,0,0,0,0|1,0,2]=4 8330 B12R0.251 C=CCCCCCSC(C)C(=O)C 62a_100009814033_100000700193 [0,1,0,0,0,0|1,0,2]=4 8331 B12R0.251 C=CCCCCOCC(C)C(=O)C 34a_100000032740_100011215482 [0,1,0,0,0,0|1,0,2]=4 8332 B12R0.251 C=CCCCCOCC(C)C(=O)C 7a_100000032740_100011215482 [0,1,0,0,0,0|1,0,2]=4 8333 B12R0.251 CC(=O)C(=O)CNCCCCCO 34a_100000762737_100011261029 [0,1,0,0,0,0|2,0,1]=4 8334 B12R0.251 CC(=O)C(=O)COCCCCCBr 34a_100000746331_100011261029 [0,1,0,0,0,0|2,0,1]=4 8335 B12R0.251 CC(=O)C(=O)COCCCCCCl 34a_100000746330_100011261029 [0,1,0,0,0,0|2,0,1]=4 8336 B12R0.251 CC(=O)C(=O)COCCCCCI 34a_200012148887_100011261029 [0,1,0,0,0,0|2,0,1]=4 8337 B12R0.251 CC(=O)C(=O)COCCCCCN 34a_100000762737_100011261029 [0,1,0,0,0,0|2,0,1]=4 8338 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100000729378_100011261029 [0,1,0,0,0,0|2,0,1]=4 8339 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100011261029_100000729378 [0,1,0,0,0,0|2,0,1]=4 8340 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100000746330_100011261029 [0,1,0,0,0,0|2,0,1]=4 8341 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100011261029_100000746330 [0,1,0,0,0,0|2,0,1]=4 8342 B12R0.251 CC(=O)C(C)COCCCCC#N 7a_100000032740_100000211819 [0,1,0,0,0,0|2,0,1]=4 8343 B12R0.251 CC(=O)C(C)COCCCCC=O 7a_100000032740_100000139335 [0,1,0,0,0,0|2,0,1]=4 8344 B12R0.251 CC(=O)C(C)COCCCCCF 34a_100000032740_100000729378 [0,1,0,0,0,0|2,0,0]=3 8345 B12R0.251 CC(=O)C(C)COCCCCCF 7a_100000032740_100000729378 [0,1,0,0,0,0|2,0,0]=3 8346 B12R0.251 CC(=O)C(C)COCCCCCO 34a_100000032740_100000746330 [0,1,0,0,0,0|2,0,0]=3 8347 B12R0.251 CC(=O)C(C)COCCCCCO 7a_100000032740_100000746330 [0,1,0,0,0,0|2,0,0]=3 8348 B12R0.251 CC(=O)C(C)COCCOCCO 34a_100000032740_100000692535 [0,1,0,0,0,0|3,0,0]=4 8349 B12R0.251 CC(=O)C(C)COCCOCCO 7a_100000032740_100011215305 [0,1,0,0,0,0|3,0,0]=4 8350 B12R0.251 CC(=O)C(C)NCCCCCCO 2230a_100000686447_100009814033 [0,1,0,0,0,0|2,0,0]=3 8351 B12R0.251 CC(=O)C(C)OCCCCCCBr 7a_100011215345_100000179758 [0,1,0,0,0,0|2,0,0]=3 8352 B12R0.251 CC(=O)C(C)OCCCCCCCl 7a_100000766143_100000179758 [0,1,0,0,0,0|2,0,0]=3 8353 B12R0.251 CC(=O)C(C)OCCCCCCF 34a_100000212229_100015922095 [0,1,0,0,0,0|2,0,0]=3 8354 B12R0.251 CC(=O)C(C)OCCCCCCF 7a_100000732779_100000179758 [0,1,0,0,0,0|2,0,0]=3 8355 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,1,0,0,0,0|2,0,0]=3 8356 B12R0.251 CC(=O)C(C)SCCCCCC#N 62a_100009813376_100009814033 [0,1,0,0,0,0|2,0,1]=4 8357 B12R0.251 CC(=O)C(C)SCCCCCC#N 62a_100009814033_100009813376 [0,1,0,0,0,0|2,0,1]=4 8358 B12R0.251 CC(=O)C(C)SCCCCCC=O 62a_100000139337_100009814033 [0,1,0,0,0,0|2,0,1]=4 8359 B12R0.251 CC(=O)C(C)SCCCCCC=O 62a_100009814033_100000139337 [0,1,0,0,0,0|2,0,1]=4 8360 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100009814033_100015922095 [0,1,0,0,0,0|2,0,0]=3 8361 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100015922095_100009814033 [0,1,0,0,0,0|2,0,0]=3 8362 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100000766143_100009814033 [0,1,0,0,0,0|2,0,0]=3 8363 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100009814033_100000766143 [0,1,0,0,0,0|2,0,0]=3 8364 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,1,0,0,0,0|3,0,0]=4 8365 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,1,0,0,0,0|3,0,0]=4 8366 B12R0.251 CC(NCCCCCCO)C(=O)N 2230a_100000686447_100000702099 [0,1,0,0,0,0|3,0,0]=4 8367 B12R0.251 CC(NCCCCCCO)C(=O)N 34a_100000686447_100000702099 [0,1,0,0,0,0|3,0,0]=4 8368 B12R0.251 CC(OCCCCCCBr)C(=O)N 34a_100011215345_100000702099 [0,1,0,0,0,0|3,0,0]=4 8369 B12R0.251 CC(OCCCCCCBr)C(=O)N 7a_100011215345_100000702099 [0,1,0,0,0,0|3,0,0]=4 8370 B12R0.251 CC(OCCCCCCCl)C(=O)N 34a_100000766143_100000702099 [0,1,0,0,0,0|3,0,0]=4 8371 B12R0.251 CC(OCCCCCCCl)C(=O)N 7a_100000766143_100000702099 [0,1,0,0,0,0|3,0,0]=4 8372 B12R0.251 CC(OCCCCCCF)C(=O)N 34a_100000732779_100000702099 [0,1,0,0,0,0|3,0,0]=4 8373 B12R0.251 CC(OCCCCCCF)C(=O)N 7a_100000732779_100000702099 [0,1,0,0,0,0|3,0,0]=4 8374 B12R0.251 CC(OCCCCCCN)C(=O)N 34a_100000686447_100000702099 [0,1,0,0,0,0|3,0,0]=4 8375 B12R0.251 CC(SCCCCCCF)C(=O)N 62a_100000702099_100015922095 [0,1,0,0,0,0|3,0,0]=4 8376 B12R0.251 CC(SCCCCCCF)C(=O)N 62a_100015922095_100000702099 [0,1,0,0,0,0|3,0,0]=4 8377 B12R0.251 CC(SCCCCCCO)C(=O)N 62a_100000702099_100000766143 [0,1,0,0,0,0|3,0,0]=4 8378 B12R0.251 CC(SCCCCCCO)C(=O)N 62a_100000766143_100000702099 [0,1,0,0,0,0|3,0,0]=4 8379 B12R0.251 CC/C=C/CCCOC(C)C(=O)C 7a_100016287902_100000179758 [0,1,0,0,0,0|1,0,2]=4 8380 B12R0.251 CC/C=C\CCOCC(C)C(=O)C 34a_100000032740_100015370543 [0,1,0,0,0,0|1,0,2]=4 8381 B12R0.251 CC/C=C\CCOCC(C)C(=O)C 7a_100000032740_100015370543 [0,1,0,0,0,0|1,0,2]=4 8382 B12R0.251 CCCC#CCCOC(C)C(=O)C 7a_100000042726_100000179758 [0,1,0,0,0,0|1,0,2]=4 8383 B12R0.251 CCCC/C=C/COC(C)C(=O)C 7a_200016272032_100000179758 [0,1,0,0,0,0|1,0,2]=4 8384 B12R0.251 CCCCC#CCOC(C)C(=O)C 7a_200000034558_100000179758 [0,1,0,0,0,0|1,0,2]=4 8385 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,1,0,0,0,0|1,0,2]=4 8386 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,1,0,0,0,0|1,0,2]=4 8387 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,1,0,0,0,0|1,0,2]=4 8388 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,1,0,0,0,0|2,0,1]=4 8389 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,1,0,0,0,0|2,0,1]=4 8390 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,1,0,0,0,0|2,0,1]=4 8391 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,1,0,0,0,0|2,0,1]=4 8392 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,1,0,0,0,0|0,0,3]=4 8393 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,1,0,0,0,0|0,0,3]=4 8394 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,1,0,0,0,0|2,0,0]=3 8395 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,0,0,0,0|0,0,0]=1 8396 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,0,0,0,0|0,0,0]=1 8397 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,1,0,0,0,0|1,0,0]=2 8398 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,1,0,0,0,0|1,0,0]=2 8399 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,1,0,0,0,0|1,0,0]=2 8400 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,1,0,0,0,0|1,0,0]=2 8401 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [0,1,0,0,0,0|2,0,1]=4 8402 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [0,1,0,0,0,0|2,0,1]=4 8403 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [0,1,0,0,0,0|2,0,1]=4 8404 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,1,0,0,0,0|2,0,1]=4 8405 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,1,0,0,0,0|1,0,0]=2 8406 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,1,0,0,0,0|2,0,0]=3 8407 B12R0.251 CCCCCCCNC(C)C(C)C 2230a_100000211541_100000210681 [0,1,0,0,0,0|2,0,1]=4 8408 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,1,0,0,0,0|2,0,0]=3 8409 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,1,0,0,0,0|2,0,0]=3 8410 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,1,0,0,0,0|2,0,0]=3 8411 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,1,0,0,0,0|2,0,0]=3 8412 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,1,0,0,0,0|1,0,0]=2 8413 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,1,0,0,0,0|1,0,0]=2 8414 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,1,0,0,0,0|2,0,0]=3 8415 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,1,0,0,0,0|2,0,0]=3 8416 B12R0.251 CCCCCCCOC(C)C(C)C 7a_100000748068_100000210614 [0,1,0,0,0,0|2,0,1]=4 8417 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,1,0,0,0,0|2,0,0]=3 8418 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,1,0,0,0,0|2,0,0]=3 8419 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,1,0,0,0,0|2,0,0]=3 8420 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,1,0,0,0,0|2,0,0]=3 8421 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,1,0,0,0,0|2,0,0]=3 8422 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,1,0,0,0,0|2,0,0]=3 8423 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,1,0,0,0,0|1,0,0]=2 8424 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,1,0,0,0,0|1,0,0]=2 8425 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,1,0,0,0,0|2,0,0]=3 8426 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,1,0,0,0,0|2,0,0]=3 8427 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,1,0,0,0,0|2,0,0]=3 8428 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,1,0,0,0,0|2,0,0]=3 8429 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,1,0,0,0,0|2,0,0]=3 8430 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,1,0,0,0,0|2,0,0]=3 8431 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,1,0,0,0,0|2,0,0]=3 8432 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,1,0,0,0,0|2,0,0]=3 8433 B12R0.251 CCCCCCNCC(O)C(C)C 2230a_100000759067_100000210314 [0,1,0,0,0,0|2,0,1]=4 8434 B12R0.251 CCCCCCNCC(O)C(C)C 34a_100000759067_100000210314 [0,1,0,0,0,0|2,0,1]=4 8435 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,1,0,0,0,0|1,0,1]=3 8436 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,1,0,0,0,0|1,0,0]=2 8437 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,1,0,0,0,0|1,0,0]=2 8438 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210314 [0,1,0,0,0,0|3,0,0]=4 8439 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210314 [0,1,0,0,0,0|3,0,0]=4 8440 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,1,0,0,0,0|2,0,0]=3 8441 B12R0.251 CCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000210314 [0,1,0,0,0,0|2,0,1]=4 8442 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,1,0,0,0,0|1,0,1]=3 8443 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,1,0,0,0,0|1,0,1]=3 8444 B12R0.251 CCCCCOCCC(N)C(C)C 34a_100161115045_100000718602 [0,1,0,0,0,0|2,0,1]=4 8445 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,1,0,0,0,0|3,0,0]=4 8446 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100000743108 [0,1,0,0,0,0|3,0,0]=4 8447 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 34a_100000119354_100000743108 [0,1,0,0,0,0|3,0,0]=4 8448 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,1,0,0,0,0|2,0,0]=3 8449 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,1,0,0,0,0|2,0,0]=3 8450 B12R0.251 CCCCOCCOC(C)C(=O)N 34a_100000210238_100000702099 [0,1,0,0,0,0|3,0,0]=4 8451 B12R0.251 CCCCOCCOC(C)C(=O)N 7a_100000210238_100000702099 [0,1,0,0,0,0|3,0,0]=4 8452 B12R0.251 CCCCOCCOC(F)C(=O)N 34a_100000210238_100009813875 [0,1,0,0,0,0|3,0,0]=4 8453 B12R0.251 CCCCOCCOC(F)C(=O)N 7a_100000210238_100009813875 [0,1,0,0,0,0|3,0,0]=4 8454 B12R0.251 CCCCOCCOC(F)C(=O)[O-] 34a_100000210238_100020610796 [0,1,0,0,0,0|3,0,0]=4 8455 B12R0.251 CCCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000743108 [0,1,0,0,0,0|3,0,0]=4 8456 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 34a_100000731257_100000743108 [0,1,0,0,0,0|3,0,0]=4 8457 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 7a_100000731257_100000743108 [0,1,0,0,0,0|3,0,0]=4 8458 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100000743108_100009814033 [0,1,0,0,0,0|2,0,0]=3 8459 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100009814033_100000743108 [0,1,0,0,0,0|2,0,0]=3 8460 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000702099_100000743108 [0,1,0,0,0,0|3,0,0]=4 8461 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000743108_100000702099 [0,1,0,0,0,0|3,0,0]=4 8462 B12R0.251 CCCCOCCSC(F)C(=O)N 62a_100000743108_100009813875 [0,1,0,0,0,0|3,0,0]=4 8463 B12R0.251 CCCCOCCSC(F)C(=O)N 62a_100009813875_100000743108 [0,1,0,0,0,0|3,0,0]=4 8464 B12R0.251 CCCCOCCSC(F)C(=O)[O-] 62a_100000743108_100020610796 [0,1,0,0,0,0|3,0,0]=4 8465 B12R0.251 CCCCOCCSC(F)C(=O)[O-] 62a_100020610796_100000743108 [0,1,0,0,0,0|3,0,0]=4 8466 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,1,0,0,0,0|3,0,0]=4 8467 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [0,1,0,0,0,0|3,0,0]=4 8468 B12R0.251 CCCCOCOCC(C)C(=O)C 34a_100000032740_100011995733 [0,1,0,0,0,0|2,0,0]=3 8469 B12R0.251 CCCCOCOC[C@H](N)C(=O)N 34a_100000729942_100011995733 [0,1,0,0,0,0|3,0,0]=4 8470 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011261029_100011995733 [0,1,0,0,0,0|2,0,1]=4 8471 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011995733_100011261029 [0,1,0,0,0,0|2,0,1]=4 8472 B12R0.251 CCCCSCCNC(C)C(=O)C 2230a_100025743550_100009814033 [0,1,0,0,0,0|2,0,0]=3 8473 B12R0.251 CCCCSCCNC(C)C(=O)N 2230a_100025743550_100000702099 [0,1,0,0,0,0|3,0,0]=4 8474 B12R0.251 CCCCSCCNC(F)C(=O)N 2230a_100025743550_100009813875 [0,1,0,0,0,0|3,0,0]=4 8475 B12R0.251 CCCCSCCOC(C)C(=O)C 7a_200000230436_100000179758 [0,1,0,0,0,0|2,0,0]=3 8476 B12R0.251 CCCCSCCOC(C)C(=O)N 34a_200000230436_100000702099 [0,1,0,0,0,0|3,0,0]=4 8477 B12R0.251 CCCCSCCOC(C)C(=O)N 7a_200000230436_100000702099 [0,1,0,0,0,0|3,0,0]=4 8478 B12R0.251 CCCCSCCOC(F)C(=O)N 34a_200000230436_100009813875 [0,1,0,0,0,0|3,0,0]=4 8479 B12R0.251 CCCCSCCOC(F)C(=O)N 7a_200000230436_100009813875 [0,1,0,0,0,0|3,0,0]=4 8480 B12R0.251 CCCCSCCOC(F)C(=O)[O-] 34a_200000230436_100020610796 [0,1,0,0,0,0|3,0,0]=4 8481 B12R0.251 CCCOCCCNC(C)C(=O)C 2230a_100011217757_100009814033 [0,1,0,0,0,0|2,0,0]=3 8482 B12R0.251 CCCOCCCNC(C)C(=O)N 2230a_100011217757_100000702099 [0,1,0,0,0,0|3,0,0]=4 8483 B12R0.251 CCCOCCCNC(C)C(=O)N 34a_100011217757_100000702099 [0,1,0,0,0,0|3,0,0]=4 8484 B12R0.251 CCCOCCCNC(F)C(=O)N 2230a_100011217757_100009813875 [0,1,0,0,0,0|3,0,0]=4 8485 B12R0.251 CCCOCCCNC(F)C(=O)N 34a_100011217757_100009813875 [0,1,0,0,0,0|3,0,0]=4 8486 B12R0.251 CCCOCCCNC(F)C(=O)[O-] 34a_100011217757_100020610796 [0,1,0,0,0,0|3,0,0]=4 8487 B12R0.251 CCCOCCNCC(=O)C(=O)C 34a_100161115042_100011261029 [0,1,0,0,0,0|2,0,1]=4 8488 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [0,1,0,0,0,0|3,0,0]=4 8489 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [0,1,0,0,0,0|3,0,0]=4 8490 B12R0.251 CCCOCCOCC(=O)C(=O)C 34a_100000752267_100011261029 [0,1,0,0,0,0|2,0,1]=4 8491 B12R0.251 CCCOCCOCC(C)C(=O)C 34a_100000032740_100011215938 [0,1,0,0,0,0|2,0,0]=3 8492 B12R0.251 CCCOCCOCC(C)C(=O)C 7a_100000032740_100011215938 [0,1,0,0,0,0|2,0,0]=3 8493 B12R0.251 CCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100011215938 [0,1,0,0,0,0|3,0,0]=4 8494 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011215938_100011261029 [0,1,0,0,0,0|2,0,1]=4 8495 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011261029_100011215938 [0,1,0,0,0,0|2,0,1]=4 8496 B12R0.251 CCCSCCOCC(=O)C(=O)C 34a_200000230433_100011261029 [0,1,0,0,0,0|2,0,1]=4 8497 B12R0.251 CCOCCCNCC(=O)C(=O)C 34a_100000210961_100011261029 [0,1,0,0,0,0|2,0,1]=4 8498 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [0,1,0,0,0,0|3,0,0]=4 8499 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [0,1,0,0,0,0|3,0,0]=4 8500 B12R0.251 CCOCCCOCC(=O)C(=O)C 34a_100000757476_100011261029 [0,1,0,0,0,0|2,0,1]=4 8501 B12R0.251 CCOCCCOCC(C)C(=O)C 34a_100000032740_100012232248 [0,1,0,0,0,0|2,0,0]=3 8502 B12R0.251 CCOCCCOCC(C)C(=O)C 7a_100000032740_100012232248 [0,1,0,0,0,0|2,0,0]=3 8503 B12R0.251 CCOCCCOC[C@H](N)C(=O)N 34a_100000729942_100012232248 [0,1,0,0,0,0|3,0,0]=4 8504 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100011261029_100012232248 [0,1,0,0,0,0|2,0,1]=4 8505 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100012232248_100011261029 [0,1,0,0,0,0|2,0,1]=4 8506 B12R0.251 CCSCCCOCC(=O)C(=O)C 34a_100011216438_100011261029 [0,1,0,0,0,0|2,0,1]=4 8507 B12R0.251 CNCCCCCOC(C)C(=O)N 34a_100000722520_100000702099 [0,1,0,0,0,0|3,0,0]=4 8508 B12R0.251 CNCCCCCOC(F)C(=O)N 34a_100000722520_100009813875 [0,1,0,0,0,0|3,0,0]=4 8509 B12R0.251 CNCCCCCOC(F)C(=O)[O-] 34a_100000722520_100020610796 [0,1,0,0,0,0|3,0,0]=4 8510 B12R0.251 COCCCCCNC(C)C(=O)C 2230a_100000747528_100009814033 [0,1,0,0,0,0|2,0,0]=3 8511 B12R0.251 COCCCCCNC(C)C(=O)N 2230a_100000747528_100000702099 [0,1,0,0,0,0|3,0,0]=4 8512 B12R0.251 COCCCCCNC(C)C(=O)N 34a_100000747528_100000702099 [0,1,0,0,0,0|3,0,0]=4 8513 B12R0.251 COCCCCCNC(F)C(=O)N 2230a_100000747528_100009813875 [0,1,0,0,0,0|3,0,0]=4 8514 B12R0.251 COCCCCCNC(F)C(=O)N 34a_100000747528_100009813875 [0,1,0,0,0,0|3,0,0]=4 8515 B12R0.251 COCCCCCNC(F)C(=O)[O-] 34a_100000747528_100020610796 [0,1,0,0,0,0|3,0,0]=4 8516 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,1,0,0,0,0|3,0,0]=4 8517 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,1,0,0,0,0|3,0,0]=4 8518 B12R0.251 COCCCCOCC(=O)C(=O)C 34a_100000740925_100011261029 [0,1,0,0,0,0|2,0,1]=4 8519 B12R0.251 COCCCCOCC(C)C(=O)C 34a_100000032740_100000755781 [0,1,0,0,0,0|2,0,0]=3 8520 B12R0.251 COCCCCOCC(C)C(=O)C 7a_100000032740_100000730899 [0,1,0,0,0,0|2,0,0]=3 8521 B12R0.251 COCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000755781 [0,1,0,0,0,0|3,0,0]=4 8522 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100000730899_100011261029 [0,1,0,0,0,0|2,0,1]=4 8523 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100011261029_100000730899 [0,1,0,0,0,0|2,0,1]=4 8524 B12R0.251 COCCOCCNC(C)C(=O)C 2230a_100000745349_100009814033 [0,1,0,0,0,0|3,0,0]=4 8525 B12R0.251 COCCOCCOC(C)C(=O)C 34a_100000212229_100000695917 [0,1,0,0,0,0|3,0,0]=4 8526 B12R0.251 COCCOCCOC(C)C(=O)C 7a_100011215163_100000179758 [0,1,0,0,0,0|3,0,0]=4 8527 B12R0.251 COCCOCCSC(C)C(=O)C 62a_100000695917_100009814033 [0,1,0,0,0,0|3,0,0]=4 8528 B12R0.251 COCCOCCSC(C)C(=O)C 62a_100009814033_100000695917 [0,1,0,0,0,0|3,0,0]=4 8529 B12R0.251 CSCCCCOCC(=O)C(=O)C 34a_100011217163_100011261029 [0,1,0,0,0,0|2,0,1]=4 8530 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 2230a_100000119354_100015922095 [0,1,0,0,0,0|3,0,0]=4 8531 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 34a_100000119354_100015922095 [0,1,0,0,0,0|3,0,0]=4 8532 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N 2230a_100000119354_100000766143 [0,1,0,0,0,0|3,0,0]=4 8533 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N 34a_100000119354_100000766143 [0,1,0,0,0,0|3,0,0]=4 8534 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 34a_100000731257_100015922095 [0,1,0,0,0,0|3,0,0]=4 8535 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 7a_100000731257_100015922095 [0,1,0,0,0,0|3,0,0]=4 8536 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 34a_100000731257_100000766143 [0,1,0,0,0,0|3,0,0]=4 8537 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 7a_100000731257_100000766143 [0,1,0,0,0,0|3,0,0]=4 8538 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,1,0,0,0,0|3,0,0]=4 8539 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,1,0,0,0,0|3,0,0]=4 8540 B12R0.251 C[C@H](OCCCCCCF)C(=O)[O-] 7a_217856618621_100015922095 [0,1,0,0,0,0|3,0,0]=4 8541 B12R0.251 C[C@H](OCCCCCCO)C(=O)[O-] 7a_217856618621_100000766143 [0,1,0,0,0,0|3,0,0]=4 8542 B12R0.251 NC(=O)C(F)NCCCCCCO 2230a_100000686447_100009813875 [0,1,0,0,0,0|3,0,0]=4 8543 B12R0.251 NC(=O)C(F)NCCCCCCO 34a_100000686447_100009813875 [0,1,0,0,0,0|3,0,0]=4 8544 B12R0.251 NC(=O)C(F)OCCCCCCBr 34a_100011215345_100009813875 [0,1,0,0,0,0|3,0,0]=4 8545 B12R0.251 NC(=O)C(F)OCCCCCCBr 7a_100011215345_100009813875 [0,1,0,0,0,0|3,0,0]=4 8546 B12R0.251 NC(=O)C(F)OCCCCCCCl 34a_100000766143_100009813875 [0,1,0,0,0,0|3,0,0]=4 8547 B12R0.251 NC(=O)C(F)OCCCCCCCl 7a_100000766143_100009813875 [0,1,0,0,0,0|3,0,0]=4 8548 B12R0.251 NC(=O)C(F)OCCCCCCF 34a_100000732779_100009813875 [0,1,0,0,0,0|3,0,0]=4 8549 B12R0.251 NC(=O)C(F)OCCCCCCF 7a_100000732779_100009813875 [0,1,0,0,0,0|3,0,0]=4 8550 B12R0.251 NC(=O)C(F)SCCCCCCF 62a_100009813875_100015922095 [0,1,0,0,0,0|3,0,0]=4 8551 B12R0.251 NC(=O)C(F)SCCCCCCF 62a_100015922095_100009813875 [0,1,0,0,0,0|3,0,0]=4 8552 B12R0.251 NC(=O)C(F)SCCCCCCO 62a_100000766143_100009813875 [0,1,0,0,0,0|3,0,0]=4 8553 B12R0.251 NC(=O)C(F)SCCCCCCO 62a_100009813875_100000766143 [0,1,0,0,0,0|3,0,0]=4 8554 B12R0.251 NC(=O)[C@@H](N)COCCCCCF 34a_100000729942_100000729378 [0,1,0,0,0,0|3,0,0]=4 8555 B12R0.251 NC(=O)[C@@H](N)COCCCCCO 34a_100000729942_100000746330 [0,1,0,0,0,0|3,0,0]=4 8556 B12R0.251 NCCCCCCOC(F)C(=O)N 34a_100000686447_100009813875 [0,1,0,0,0,0|3,0,0]=4 8557 B12R0.251 NCCCCCCOC(F)C(=O)[O-] 34a_100000686447_100020610796 [0,1,0,0,0,0|3,0,0]=4 8558 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,1,0,0,0,0|3,0,0]=4 8559 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,1,0,0,0,0|3,0,0]=4 8560 B12R0.251 O=C([O-])C(F)NCCCCCCO 34a_100000686447_100020610796 [0,1,0,0,0,0|3,0,0]=4 8561 B12R0.251 O=C([O-])C(F)OCCCCCCBr 34a_100011215345_100020610796 [0,1,0,0,0,0|3,0,0]=4 8562 B12R0.251 O=C([O-])C(F)OCCCCCCCl 34a_100000766143_100020610796 [0,1,0,0,0,0|3,0,0]=4 8563 B12R0.251 O=C([O-])C(F)OCCCCCCF 34a_100000732779_100020610796 [0,1,0,0,0,0|3,0,0]=4 8564 B12R0.251 O=C([O-])C(F)SCCCCCCF 62a_100015922095_100020610796 [0,1,0,0,0,0|3,0,0]=4 8565 B12R0.251 O=C([O-])C(F)SCCCCCCF 62a_100020610796_100015922095 [0,1,0,0,0,0|3,0,0]=4 8566 B12R0.251 O=C([O-])C(F)SCCCCCCO 62a_100000766143_100020610796 [0,1,0,0,0,0|3,0,0]=4 8567 B12R0.251 O=C([O-])C(F)SCCCCCCO 62a_100020610796_100000766143 [0,1,0,0,0,0|3,0,0]=4 8568 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,1,0,0,0,0|1,0,1]=3 8569 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,1,0,0,0,0|1,0,1]=3 8570 B12R0.255 C=C(C)CCC(=O)CCCCCF 1458a_200000688413_100000729378 [0,1,0,0,0,0|2,0,1]=4 8571 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,1,0,0,0,0|2,0,1]=4 8572 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,1,0,0,0,0|2,0,1]=4 8573 B12R0.255 C=C(C)CCC(=O)CCCCOC 1458a_200000688413_100000755781 [0,1,0,0,0,0|2,0,1]=4 8574 B12R0.255 C=C(C)CCC(=O)CCCOCC 1458a_200000688413_100012232248 [0,1,0,0,0,0|2,0,1]=4 8575 B12R0.255 C=C(C)CCC(=O)CCOCCC 1458a_200000688413_100011215938 [0,1,0,0,0,0|2,0,1]=4 8576 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,1,0,0,0,0|2,0,1]=4 8577 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,1,0,0,0,0|2,0,1]=4 8578 B12R0.255 C=C(C)CCC(=O)CSCCCC 1458a_100000191162_100000730704 [0,1,0,0,0,0|2,0,1]=4 8579 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,1,0,0,0,0|2,0,1]=4 8580 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,1,0,0,0,0|2,0,1]=4 8581 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,1,0,0,0,0|2,0,1]=4 8582 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,1,0,0,0,0|2,0,1]=4 8583 B12R0.255 C=C(C)CCC(C)NCCCCC 270004a_100000209983_100011215600 [0,1,0,0,0,0|2,0,0]=3 8584 B12R0.255 C=C(C)CCC(C)NCCCCO 270004a_100000750430_100011215600 [0,1,0,0,0,0|3,0,0]=4 8585 B12R0.255 C=C(C)CCC(C)NCCCOC 270004a_100150723488_100011215600 [0,1,0,0,0,0|3,0,0]=4 8586 B12R0.255 C=C(C)CCC(C)NCCCSC 270004a_100000749238_100011215600 [0,1,0,0,0,0|3,0,0]=4 8587 B12R0.255 C=C(C)CCC(C)NCCOCC 270004a_102516460346_100011215600 [0,1,0,0,0,0|3,0,0]=4 8588 B12R0.255 C=C(C)CCC(C)NCCSCC 270004a_100000106463_100011215600 [0,1,0,0,0,0|3,0,0]=4 8589 B12R0.255 C=C(C)CCN(C)CCCCCC 2230a_106256046315_100000730704 [0,1,0,0,0,0|2,0,0]=3 8590 B12R0.255 C=C(C)CCN(C)CCCCCC 269982a_106256046315_100000730704 [0,1,0,0,0,0|2,0,0]=3 8591 B12R0.255 C=C(C)CCN(C)CCCCCO 2230a_100000722520_100000730704 [0,1,0,0,0,0|3,0,0]=4 8592 B12R0.255 C=C(C)CCN(C)CCCCCO 269982a_100000722520_100000730704 [0,1,0,0,0,0|3,0,0]=4 8593 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,1,0,0,0,0|2,0,1]=4 8594 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,1,0,0,0,0|2,0,1]=4 8595 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,1,0,0,0,0|2,0,1]=4 8596 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,1,0,0,0,0|2,0,1]=4 8597 B12R0.255 C=C(C)CNC(C)CCCCCC 2230a_100000210919_100000748629 [0,1,0,0,0,0|2,0,0]=3 8598 B12R0.255 C=C(C)CNC(C)CCCCCC 34a_100000210919_100000748629 [0,1,0,0,0,0|2,0,0]=3 8599 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,1,0,0,0,0|2,0,0]=3 8600 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,1,0,0,0,0|2,0,0]=3 8601 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,1,0,0,0,0|2,0,0]=3 8602 B12R0.255 C=C(C)COC(C)COCCCC 34a_100011217071_100000748629 [0,1,0,0,0,0|3,0,0]=4 8603 B12R0.255 C=C(C)COC(C)COCCCC 7a_100011217071_100000748629 [0,1,0,0,0,0|3,0,0]=4 8604 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100000748629_100011215978 [0,1,0,0,0,0|2,0,0]=3 8605 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100011215978_100000211660 [0,1,0,0,0,0|2,0,0]=3 8606 B12R0.255 C=C(F)CNC(C)CCCCCC 2230a_100000210919_100009893438 [0,1,0,0,0,0|2,0,1]=4 8607 B12R0.255 C=C(F)CNC(C)CCCCCC 34a_100000210919_100009893438 [0,1,0,0,0,0|2,0,1]=4 8608 B12R0.255 C=C(F)COC(C)CCCCCC 34a_100000210265_100009893438 [0,1,0,0,0,0|2,0,1]=4 8609 B12R0.255 C=C(F)COC(C)CCCCCC 34a_200010262243_100011215978 [0,1,0,0,0,0|2,0,1]=4 8610 B12R0.255 C=C(F)COC(C)CCCCCC 7a_100000210265_100000042424 [0,1,0,0,0,0|2,0,1]=4 8611 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100000042424_100011215978 [0,1,0,0,0,0|2,0,1]=4 8612 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100011215978_100000042424 [0,1,0,0,0,0|2,0,1]=4 8613 B12R0.255 C=CCCCCN(C)CCC(=O)C 269982a_100012000471_100000053229 [0,1,0,0,0,0|1,0,2]=4 8614 B12R0.255 CC(=O)CCC(=O)OCCCCO 1458a_200009914559_200000210301 [0,1,0,0,0,0|2,0,1]=4 8615 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [0,1,0,0,0,0|2,0,0]=3 8616 B12R0.255 CC(=O)CCN(C)CCOCCO 269982a_100000228057_100000053229 [0,1,0,0,0,0|3,0,0]=4 8617 B12R0.255 CC(=O)NCC(=O)CCCCCF 1458a_100000194580_100000729378 [0,1,0,0,0,0|2,0,1]=4 8618 B12R0.255 CC(=O)NCC(=O)CCCCCO 1458a_100000194580_100000746330 [0,1,0,0,0,0|2,0,1]=4 8619 B12R0.255 CC(=O)OCC(=O)CCCCCF 1458a_100000183556_100000729378 [0,1,0,0,0,0|2,0,1]=4 8620 B12R0.255 CC(=O)OCC(=O)CCCCCO 1458a_100000183556_100000746330 [0,1,0,0,0,0|2,0,1]=4 8621 B12R0.255 CC(=O)OCC(C)NCCCCO 270004a_100000750430_100000000629 [0,1,0,0,0,0|3,0,0]=4 8622 B12R0.255 CC(=O)OCC(O)CNCCCF 34a_100015189416_200000139349 [0,1,0,0,0,0|3,0,0]=4 8623 B12R0.255 CC(=O)OCC(O)COCCCBr 34a_100011217188_200000139349 [0,1,0,0,0,0|3,0,0]=4 8624 B12R0.255 CC(=O)OCC(O)COCCCCl 34a_100000230001_200000139349 [0,1,0,0,0,0|3,0,0]=4 8625 B12R0.255 CC(=O)OCC(O)COCCCF 34a_100000759539_200000139349 [0,1,0,0,0,0|3,0,0]=4 8626 B12R0.255 CC(=O)OCC(O)COCCCN 34a_100000182051_200000139349 [0,1,0,0,0,0|3,0,0]=4 8627 B12R0.255 CC(=O)OCC(O)CSCCCF 62a_100011934791_200000139349 [0,1,0,0,0,0|3,0,0]=4 8628 B12R0.255 CC(=O)OCC(O)CSCCCF 62a_200000139349_100011934791 [0,1,0,0,0,0|3,0,0]=4 8629 B12R0.255 CC(=O)OCC(O)CSCCCO 62a_100011215043_200000139349 [0,1,0,0,0,0|3,0,0]=4 8630 B12R0.255 CC(=O)OCC(O)CSCCCO 62a_200000139349_100011215043 [0,1,0,0,0,0|3,0,0]=4 8631 B12R0.255 CC(=O)OCN(C)CCCCCO 269982a_100000722520_100000076356 [0,1,0,0,0,0|3,0,0]=4 8632 B12R0.255 CC(=O)SCC(=O)CCCCCF 1458a_100000049016_100000729378 [0,1,0,0,0,0|2,0,1]=4 8633 B12R0.255 CC(=O)SCC(=O)CCCCCO 1458a_100000049016_100000746330 [0,1,0,0,0,0|2,0,1]=4 8634 B12R0.255 CC(=O)SCC(C)CNCCCF 2230a_100015189416_200000116872 [0,1,0,0,0,0|3,0,0]=4 8635 B12R0.255 CC(=O)SCC(C)CNCCCF 34a_100015189416_200000116872 [0,1,0,0,0,0|3,0,0]=4 8636 B12R0.255 CC(=O)SCC(C)COCCCBr 34a_100011217188_200000116872 [0,1,0,0,0,0|3,0,0]=4 8637 B12R0.255 CC(=O)SCC(C)COCCCCl 34a_100000230001_200000116872 [0,1,0,0,0,0|3,0,0]=4 8638 B12R0.255 CC(=O)SCC(C)COCCCF 34a_100000759539_200000116872 [0,1,0,0,0,0|3,0,0]=4 8639 B12R0.255 CC(=O)SCC(C)COCCCN 34a_100000182051_200000116872 [0,1,0,0,0,0|3,0,0]=4 8640 B12R0.255 CC(=O)SCC(C)CSCCCF 62a_100011934791_200000116872 [0,1,0,0,0,0|3,0,0]=4 8641 B12R0.255 CC(=O)SCC(C)CSCCCF 62a_200000116872_100011934791 [0,1,0,0,0,0|3,0,0]=4 8642 B12R0.255 CC(=O)SCC(C)CSCCCO 62a_100011215043_200000116872 [0,1,0,0,0,0|3,0,0]=4 8643 B12R0.255 CC(=O)SCC(C)CSCCCO 62a_200000116872_100011215043 [0,1,0,0,0,0|3,0,0]=4 8644 B12R0.255 CCCCCCC(=NNC(=O)C)C 4a_100000189765_100000210826 [0,1,0,0,0,0|2,0,1]=4 8645 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,1,0,0,0,0|1,0,2]=4 8646 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,1,0,0,0,0|1,0,2]=4 8647 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,1,0,0,0,0|1,0,1]=3 8648 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,1,0,0,0,0|1,0,2]=4 8649 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,1,0,0,0,0|1,0,2]=4 8650 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,1,0,0,0,0|0,0,3]=4 8651 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,1,0,0,0,0|2,0,1]=4 8652 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,1,0,0,0,0|2,0,1]=4 8653 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,1,0,0,0,0|1,0,1]=3 8654 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,1,0,0,0,0|2,0,1]=4 8655 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,1,0,0,0,0|1,0,1]=3 8656 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,1,0,0,0,0|1,0,1]=3 8657 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 8658 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 8659 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,1,0,0,0,0|2,0,1]=4 8660 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100000189765_100102632555 [0,1,0,0,0,0|2,0,1]=4 8661 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100011221127_100000070787 [0,1,0,0,0,0|2,0,1]=4 8662 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [0,1,0,0,0,0|2,0,0]=3 8663 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [0,1,0,0,0,0|2,0,0]=3 8664 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [0,1,0,0,0,0|2,0,0]=3 8665 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,1,0,0,0,0|2,0,0]=3 8666 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [0,1,0,0,0,0|2,0,0]=3 8667 B12R0.255 CCCCCCC(C)NCC(C)C 2230a_100000210919_100000210760 [0,1,0,0,0,0|2,0,1]=4 8668 B12R0.255 CCCCCCC(C)NCC(C)C 2230a_100000210953_100011215978 [0,1,0,0,0,0|2,0,1]=4 8669 B12R0.255 CCCCCCC(C)NCC(C)C 270004a_100000210919_100000210432 [0,1,0,0,0,0|2,0,1]=4 8670 B12R0.255 CCCCCCC(C)NCC(C)C 270004a_100000210953_100000210826 [0,1,0,0,0,0|2,0,1]=4 8671 B12R0.255 CCCCCCC(C)NCC(C)C 34a_100000210919_100000210624 [0,1,0,0,0,0|2,0,1]=4 8672 B12R0.255 CCCCCCC(C)NCC(C)C 34a_100000210953_100011215978 [0,1,0,0,0,0|2,0,1]=4 8673 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210904_100011215978 [0,1,0,0,0,0|1,0,2]=4 8674 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210919_100011218427 [0,1,0,0,0,0|1,0,2]=4 8675 B12R0.255 CCCCCCC(C)NCC(C)O 270004a_100000210904_100000210826 [0,1,0,0,0,0|1,0,2]=4 8676 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210904_100011215978 [0,1,0,0,0,0|1,0,2]=4 8677 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210919_100011218427 [0,1,0,0,0,0|1,0,2]=4 8678 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 2230a_100000210919_100009817552 [0,1,0,0,0,0|1,0,2]=4 8679 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 34a_100000210919_100009817552 [0,1,0,0,0,0|1,0,2]=4 8680 B12R0.255 CCCCCCC(C)NC[N+](=O)[O-] 34a_100000210919_100000761209 [0,1,0,0,0,0|3,0,0]=4 8681 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,1,0,0,0,0|1,0,0]=2 8682 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,1,0,0,0,0|2,0,0]=3 8683 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,1,0,0,0,0|2,0,0]=3 8684 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,1,0,0,0,0|2,0,0]=3 8685 B12R0.255 CCCCCCC(C)OCC(C)Br 34a_100012180447_100011215978 [0,1,0,0,0,0|2,0,1]=4 8686 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210257_100011215978 [0,1,0,0,0,0|2,0,1]=4 8687 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210265_100000210624 [0,1,0,0,0,0|2,0,1]=4 8688 B12R0.255 CCCCCCC(C)OCC(C)C 7a_100000210265_100000210760 [0,1,0,0,0,0|2,0,1]=4 8689 B12R0.255 CCCCCCC(C)OCC(C)F 34a_100015925927_100011215978 [0,1,0,0,0,0|2,0,1]=4 8690 B12R0.255 CCCCCCC(C)OCC(C)O 34a_100000210265_100011218427 [0,1,0,0,0,0|1,0,2]=4 8691 B12R0.255 CCCCCCC(C)OCC(C)O 7a_100000210265_100011218427 [0,1,0,0,0,0|1,0,2]=4 8692 B12R0.255 CCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215978 [0,1,0,0,0,0|2,0,1]=4 8693 B12R0.255 CCCCCCC(C)OC[C@@H](C)N 34a_100000737577_100011215978 [0,1,0,0,0,0|2,0,1]=4 8694 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 34a_100000210265_100009817552 [0,1,0,0,0,0|1,0,2]=4 8695 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 7a_100000210265_100009817552 [0,1,0,0,0,0|1,0,2]=4 8696 B12R0.255 CCCCCCC(C)OC[N+](=O)[O-] 34a_100000210265_100000761209 [0,1,0,0,0,0|3,0,0]=4 8697 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [0,1,0,0,0,0|2,0,0]=3 8698 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [0,1,0,0,0,0|2,0,0]=3 8699 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [0,1,0,0,0,0|2,0,0]=3 8700 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [0,1,0,0,0,0|2,0,0]=3 8701 B12R0.255 CCCCCCC(C)SCC(C)C 62a_100000210624_100011215978 [0,1,0,0,0,0|2,0,1]=4 8702 B12R0.255 CCCCCCC(C)SCC(C)C 62a_100011215978_100000210760 [0,1,0,0,0,0|2,0,1]=4 8703 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011215978_100011218427 [0,1,0,0,0,0|1,0,2]=4 8704 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011218427_100011215978 [0,1,0,0,0,0|1,0,2]=4 8705 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100009817552_100011215978 [0,1,0,0,0,0|1,0,2]=4 8706 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100011215978_100009817552 [0,1,0,0,0,0|1,0,2]=4 8707 B12R0.255 CCCCCCC(C)SC[N+](=O)[O-] 62a_100011215978_100000761209 [0,1,0,0,0,0|3,0,0]=4 8708 B12R0.255 CCCCCCN(C)CC=C(C)C 2230a_106256046315_100000761012 [0,1,0,0,0,0|2,0,1]=4 8709 B12R0.255 CCCCCCN(C)CC=C(C)C 269982a_106256046315_100000761012 [0,1,0,0,0,0|2,0,1]=4 8710 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,1,0,0,0,0|1,0,0]=2 8711 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,1,0,0,0,0|2,0,0]=3 8712 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,1,0,0,0,0|2,0,0]=3 8713 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,1,0,0,0,0|2,0,0]=3 8714 B12R0.255 CCCCCCN(C)CCC(C)C 2230a_100000742789_100000210314 [0,1,0,0,0,0|2,0,1]=4 8715 B12R0.255 CCCCCCN(C)CCC(C)C 2230a_106256046315_100000210312 [0,1,0,0,0,0|2,0,1]=4 8716 B12R0.255 CCCCCCN(C)CCC(C)C 269982a_100000742789_100000210757 [0,1,0,0,0,0|2,0,1]=4 8717 B12R0.255 CCCCCCN(C)CCC(C)C 269982a_106256046315_100000210312 [0,1,0,0,0,0|2,0,1]=4 8718 B12R0.255 CCCCCCN(C)CCC(C)O 2230a_106256046315_100012276601 [0,1,0,0,0,0|1,0,2]=4 8719 B12R0.255 CCCCCCN(C)CCC(C)O 269982a_106256046315_100012276601 [0,1,0,0,0,0|1,0,2]=4 8720 B12R0.255 CCCCCCN(C)CCN(C)C 269982a_100000225618_100000210757 [0,1,0,0,0,0|3,0,0]=4 8721 B12R0.255 CCCCCCN(C)CCN(C)C 269982a_106256046315_100000755713 [0,1,0,0,0,0|3,0,0]=4 8722 B12R0.255 CCCCCCN(C)COC(=O)C 269982a_106256046315_100000076356 [0,1,0,0,0,0|2,0,0]=3 8723 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,1,0,0,0,0|2,0,1]=4 8724 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,1,0,0,0,0|2,0,1]=4 8725 B12R0.255 CCCCCNC(=O)CNC(=O)C 11a_100000209983_100000194580 [0,1,0,0,0,0|2,0,1]=4 8726 B12R0.255 CCCCCNC(=O)CNC(=O)C 1626a_100000209983_100000194580 [0,1,0,0,0,0|2,0,1]=4 8727 B12R0.255 CCCCCNC(=O)CNC(=O)C 240690a_100000209983_100000194580 [0,1,0,0,0,0|2,0,1]=4 8728 B12R0.255 CCCCCNC(=O)CNC(=O)C 527a_100000209983_100000194580 [0,1,0,0,0,0|2,0,1]=4 8729 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,1,0,0,0,0|2,0,1]=4 8730 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,1,0,0,0,0|2,0,1]=4 8731 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,1,0,0,0,0|2,0,1]=4 8732 B12R0.255 CCCCCNC(=O)CSC(=O)C 11a_100000209983_100000049016 [0,1,0,0,0,0|2,0,1]=4 8733 B12R0.255 CCCCCNC(=O)CSC(=O)C 1626a_100000209983_100000049016 [0,1,0,0,0,0|2,0,1]=4 8734 B12R0.255 CCCCCNC(=O)CSC(=O)C 240690a_100000209983_100000049016 [0,1,0,0,0,0|2,0,1]=4 8735 B12R0.255 CCCCCNC(C)CCC(C)C 2230a_100000209983_100011261404 [0,1,0,0,0,0|2,0,1]=4 8736 B12R0.255 CCCCCNC(C)CCC(C)C 2230a_100138410893_100000210326 [0,1,0,0,0,0|2,0,1]=4 8737 B12R0.255 CCCCCNC(C)CCC(C)C 270004a_100000209983_100000210476 [0,1,0,0,0,0|2,0,1]=4 8738 B12R0.255 CCCCCNC(C)COC(=O)C 270004a_100000209983_100000000629 [0,1,0,0,0,0|2,0,0]=3 8739 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100000210253_100011261404 [0,1,0,0,0,0|2,0,1]=4 8740 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100011215350_100000718602 [0,1,0,0,0,0|2,0,1]=4 8741 B12R0.255 CCCCCOC(C)CCC(C)C 7a_100011215350_100000210326 [0,1,0,0,0,0|2,0,1]=4 8742 B12R0.255 CCCCCSC(C)CCC(C)C 62a_100000210326_100011261404 [0,1,0,0,0,0|2,0,1]=4 8743 B12R0.255 CCCCCSC(C)CCC(C)C 62a_100011261404_100000210326 [0,1,0,0,0,0|2,0,1]=4 8744 B12R0.255 CCCCNCC(C)CSC(=O)C 2230a_100000102301_200000116872 [0,1,0,0,0,0|2,0,0]=3 8745 B12R0.255 CCCCNCC(C)CSC(=O)C 7a_106832991798_200000116872 [0,1,0,0,0,0|2,0,0]=3 8746 B12R0.255 CCCCNCC(O)COC(=O)C 7a_106832991798_200000139349 [0,1,0,0,0,0|2,0,0]=3 8747 B12R0.255 CCCCOCC(=O)CCC(=O)N 1458a_100011215257_100011995733 [0,1,0,0,0,0|2,0,1]=4 8748 B12R0.255 CCCCOCC(=O)CNC(=O)C 1458a_100000194580_100011995733 [0,1,0,0,0,0|2,0,1]=4 8749 B12R0.255 CCCCOCC(=O)COC(=O)C 1458a_100000183556_100011995733 [0,1,0,0,0,0|2,0,1]=4 8750 B12R0.255 CCCCOCC(=O)COC(=O)C 34a_100000210227_100000036994 [0,1,0,0,0,0|2,0,1]=4 8751 B12R0.255 CCCCOCC(=O)CSC(=O)C 1458a_100000049016_100011995733 [0,1,0,0,0,0|2,0,1]=4 8752 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,1,0,0,0,0|2,0,0]=3 8753 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,1,0,0,0,0|2,0,0]=3 8754 B12R0.255 CCCCOCC(C)OCC(=O)N 34a_100011217071_100000187820 [0,1,0,0,0,0|3,0,0]=4 8755 B12R0.255 CCCCOCC(C)OCC(=O)N 7a_100011217071_100000187820 [0,1,0,0,0,0|3,0,0]=4 8756 B12R0.255 CCCCOCC(C)OCC(=O)[O-] 34a_100011217071_100020667443 [0,1,0,0,0,0|3,0,0]=4 8757 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,1,0,0,0,0|2,0,0]=3 8758 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,1,0,0,0,0|2,0,0]=3 8759 B12R0.255 CCCCOCN(C)CCC(=O)N 2230a_100000730477_100011995733 [0,1,0,0,0,0|3,0,0]=4 8760 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000036994_100000210210 [0,1,0,0,0,0|2,0,1]=4 8761 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000210211_100000036994 [0,1,0,0,0,0|2,0,1]=4 8762 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_100000210211_200000116872 [0,1,0,0,0,0|2,0,0]=3 8763 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_200000116872_100000210210 [0,1,0,0,0,0|2,0,0]=3 8764 B12R0.255 CCCCSCC(O)COC(=O)C 62a_100000210211_200000139349 [0,1,0,0,0,0|2,0,0]=3 8765 B12R0.255 CCCCSCC(O)COC(=O)C 62a_200000139349_100000210210 [0,1,0,0,0,0|2,0,0]=3 8766 B12R0.255 CCCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215938 [0,1,0,0,0,0|2,0,1]=4 8767 B12R0.255 CCCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215938 [0,1,0,0,0,0|2,0,1]=4 8768 B12R0.255 CCCOCCC(=O)COC(=O)C 1458a_100000183556_100011215938 [0,1,0,0,0,0|2,0,1]=4 8769 B12R0.255 CCCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215938 [0,1,0,0,0,0|2,0,1]=4 8770 B12R0.255 CCCOCCN(C)CCC(=O)N 2230a_100000730477_100011215938 [0,1,0,0,0,0|3,0,0]=4 8771 B12R0.255 CCOCCCC(=O)CCC(=O)N 1458a_100011215257_100012232248 [0,1,0,0,0,0|2,0,1]=4 8772 B12R0.255 CCOCCCC(=O)CNC(=O)C 1458a_100000194580_100012232248 [0,1,0,0,0,0|2,0,1]=4 8773 B12R0.255 CCOCCCC(=O)COC(=O)C 1458a_100000183556_100012232248 [0,1,0,0,0,0|2,0,1]=4 8774 B12R0.255 CCOCCCC(=O)CSC(=O)C 1458a_100000049016_100012232248 [0,1,0,0,0,0|2,0,1]=4 8775 B12R0.255 CCOCCCN(C)CCC(=O)N 2230a_100000730477_100012232248 [0,1,0,0,0,0|3,0,0]=4 8776 B12R0.255 CCOCCNC(C)COC(=O)C 270004a_102516460346_100000000629 [0,1,0,0,0,0|3,0,0]=4 8777 B12R0.255 CCOCSCC(C)CSC(=O)C 62a_100000739092_200000116872 [0,1,0,0,0,0|3,0,0]=4 8778 B12R0.255 CCOCSCC(C)CSC(=O)C 62a_200000116872_100000739092 [0,1,0,0,0,0|3,0,0]=4 8779 B12R0.255 CCOCSCC(O)COC(=O)C 62a_100000739092_200000139349 [0,1,0,0,0,0|3,0,0]=4 8780 B12R0.255 CCOCSCC(O)COC(=O)C 62a_200000139349_100000739092 [0,1,0,0,0,0|3,0,0]=4 8781 B12R0.255 CCSCCNC(C)COC(=O)C 270004a_100000106463_100000000629 [0,1,0,0,0,0|3,0,0]=4 8782 B12R0.255 CN(CCCCCF)CCC(=O)N 2230a_100000730477_100000729378 [0,1,0,0,0,0|3,0,0]=4 8783 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000722520_100000744528 [0,1,0,0,0,0|3,0,0]=4 8784 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000730477_100000746330 [0,1,0,0,0,0|3,0,0]=4 8785 B12R0.255 CN(CCCCCO)CCC(=O)N 269982a_100000722520_100000744528 [0,1,0,0,0,0|3,0,0]=4 8786 B12R0.255 COCCCCC(=O)CCC(=O)N 1458a_100011215257_100000755781 [0,1,0,0,0,0|2,0,1]=4 8787 B12R0.255 COCCCCC(=O)CNC(=O)C 1458a_100000194580_100000755781 [0,1,0,0,0,0|2,0,1]=4 8788 B12R0.255 COCCCCC(=O)COC(=O)C 1458a_100000183556_100000755781 [0,1,0,0,0,0|2,0,1]=4 8789 B12R0.255 COCCCCC(=O)CSC(=O)C 1458a_100000049016_100000755781 [0,1,0,0,0,0|2,0,1]=4 8790 B12R0.255 COCCCCN(C)CCC(=O)N 2230a_100000730477_100000730899 [0,1,0,0,0,0|3,0,0]=4 8791 B12R0.255 COCCCNC(C)COC(=O)C 270004a_100150723488_100000000629 [0,1,0,0,0,0|3,0,0]=4 8792 B12R0.255 COCCNCC(C)CSC(=O)C 2230a_100000209980_200000116872 [0,1,0,0,0,0|3,0,0]=4 8793 B12R0.255 COCCOCC(C)CSC(=O)C 34a_100000210237_200000116872 [0,1,0,0,0,0|3,0,0]=4 8794 B12R0.255 COCCOCC(O)COC(=O)C 34a_100000210237_200000139349 [0,1,0,0,0,0|3,0,0]=4 8795 B12R0.255 COCCSCC(C)CSC(=O)C 62a_100000233755_200000116872 [0,1,0,0,0,0|3,0,0]=4 8796 B12R0.255 COCCSCC(C)CSC(=O)C 62a_200000116872_100000233755 [0,1,0,0,0,0|3,0,0]=4 8797 B12R0.255 COCCSCC(O)COC(=O)C 62a_100000233755_200000139349 [0,1,0,0,0,0|3,0,0]=4 8798 B12R0.255 COCCSCC(O)COC(=O)C 62a_200000139349_100000233755 [0,1,0,0,0,0|3,0,0]=4 8799 B12R0.255 CSCCCNC(C)COC(=O)C 270004a_100000749238_100000000629 [0,1,0,0,0,0|3,0,0]=4 8800 B12R0.255 CSCCNCC(C)CSC(=O)C 2230a_100020590264_200000116872 [0,1,0,0,0,0|3,0,0]=4 8801 B12R0.255 CSCCOCC(C)CSC(=O)C 34a_100000230434_200000116872 [0,1,0,0,0,0|3,0,0]=4 8802 B12R0.255 CSCCOCC(C)CSC(=O)C 7a_100000230434_200000116872 [0,1,0,0,0,0|3,0,0]=4 8803 B12R0.255 CSCCOCC(O)COC(=O)C 34a_100000230434_200000139349 [0,1,0,0,0,0|3,0,0]=4 8804 B12R0.255 CSCCOCC(O)COC(=O)C 7a_100000230434_200000139349 [0,1,0,0,0,0|3,0,0]=4 8805 B12R0.255 CSCCSCC(C)CSC(=O)C 62a_100000212216_200000116872 [0,1,0,0,0,0|3,0,0]=4 8806 B12R0.255 CSCCSCC(C)CSC(=O)C 62a_200000116872_100000751147 [0,1,0,0,0,0|3,0,0]=4 8807 B12R0.255 CSCCSCC(O)COC(=O)C 62a_100000212216_200000139349 [0,1,0,0,0,0|3,0,0]=4 8808 B12R0.255 CSCCSCC(O)COC(=O)C 62a_200000139349_100000751147 [0,1,0,0,0,0|3,0,0]=4 8809 B12R0.255 NC(=O)CCC(=O)CCCCCF 1458a_100011215257_100000729378 [0,1,0,0,0,0|2,0,1]=4 8810 B12R0.255 NC(=O)CCC(=O)CCCCCO 1458a_100011215257_100000746330 [0,1,0,0,0,0|2,0,1]=4 8811 B12R0.255 [13CH3]C(=O)CCC(=O)OCCCCO 1458a_200009914559_200025704644 [0,1,0,0,0,0|2,0,1]=4 8812 B12R0.268 C=C(Br)CCOCCCCC(=O)C 34a_100009813270_100009817362 [0,1,0,0,0,0|1,0,2]=4 8813 B12R0.268 C=C(Br)CCOCCCCC(C)C 34a_100009813270_100011216152 [0,1,0,0,0,0|2,0,1]=4 8814 B12R0.268 C=C(C)CCNCCCCC(=O)N 34a_100000696515_100000730704 [0,1,0,0,0,0|2,0,1]=4 8815 B12R0.268 C=C(C)CCNCCCNC(=O)C 34a_100000736810_100000730704 [0,1,0,0,0,0|2,0,1]=4 8816 B12R0.268 C=C(C)CCNCCCOC(C)C 2230a_100000737246_100000730704 [0,1,0,0,0,0|3,0,0]=4 8817 B12R0.268 C=C(C)CCNCCCOC(C)C 34a_100000737246_100000730704 [0,1,0,0,0,0|3,0,0]=4 8818 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,1,0,0,0,0|1,0,1]=3 8819 B12R0.268 C=C(C)CCOCCCCC(=O)N 34a_100012022536_100000730704 [0,1,0,0,0,0|2,0,1]=4 8820 B12R0.268 C=C(C)CCOCCCCC(=O)N 7a_100012022536_100000730704 [0,1,0,0,0,0|2,0,1]=4 8821 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100000764851_100011216152 [0,1,0,0,0,0|2,0,0]=3 8822 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100011214890_100000730704 [0,1,0,0,0,0|2,0,0]=3 8823 B12R0.268 C=C(C)CCOCCCCC(C)C 7a_100011214890_100000730704 [0,1,0,0,0,0|2,0,0]=3 8824 B12R0.268 C=C(C)CCOCCCNC(=O)C 34a_100000752032_100000730704 [0,1,0,0,0,0|2,0,1]=4 8825 B12R0.268 C=C(C)CCOCCCNC(C)C 34a_100000182298_100000730704 [0,1,0,0,0,0|3,0,0]=4 8826 B12R0.268 C=C(C)CCOCCCOC(=O)C 34a_100000764851_100000042594 [0,1,0,0,0,0|2,0,1]=4 8827 B12R0.268 C=C(C)CCOCCCSC(=O)C 34a_100000764851_100000038929 [0,1,0,0,0,0|2,0,1]=4 8828 B12R0.268 C=C(C)CCOCCNCC(C)C 34a_100015185251_100000730704 [0,1,0,0,0,0|3,0,0]=4 8829 B12R0.268 C=C(C)CCOCCOCC(C)C 34a_100000703358_100000730704 [0,1,0,0,0,0|3,0,0]=4 8830 B12R0.268 C=C(C)CCOCCOCC(C)C 7a_100000703358_100000730704 [0,1,0,0,0,0|3,0,0]=4 8831 B12R0.268 C=C(C)CCOCCSCC(C)C 34a_200000230437_100000730704 [0,1,0,0,0,0|3,0,0]=4 8832 B12R0.268 C=C(C)CCOCCSCC(C)C 7a_200000230437_100000730704 [0,1,0,0,0,0|3,0,0]=4 8833 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [0,1,0,0,0,0|1,0,1]=3 8834 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [0,1,0,0,0,0|1,0,1]=3 8835 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100000730704_100011216152 [0,1,0,0,0,0|2,0,0]=3 8836 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100011216152_100000730704 [0,1,0,0,0,0|2,0,0]=3 8837 B12R0.268 C=C(C)CCSCCCCN(C)C 62a_100000730704_100000690147 [0,1,0,0,0,0|3,0,0]=4 8838 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000042594_100000730704 [0,1,0,0,0,0|2,0,1]=4 8839 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000730704_100000042594 [0,1,0,0,0,0|2,0,1]=4 8840 B12R0.268 C=C(C)CCSCCCSC(=O)C 62a_100000038929_100000730704 [0,1,0,0,0,0|2,0,1]=4 8841 B12R0.268 C=C(C)CCSCCCSC(=O)C 62a_100000730704_100000038929 [0,1,0,0,0,0|2,0,1]=4 8842 B12R0.268 C=C(C)CNCCCCCC(C)C 2230a_100011290863_100000748629 [0,1,0,0,0,0|2,0,0]=3 8843 B12R0.268 C=C(C)CNCCCCCC(C)C 34a_100011290863_100000748629 [0,1,0,0,0,0|2,0,0]=3 8844 B12R0.268 C=C(C)CNCCCCNC(=O)C 2230a_200011368371_100000748629 [0,1,0,0,0,0|2,0,1]=4 8845 B12R0.268 C=C(C)CNCCCCNC(=O)C 34a_200011368371_100000748629 [0,1,0,0,0,0|2,0,1]=4 8846 B12R0.268 C=C(C)CNCCCOCC(C)C 2230a_100000205972_100000748629 [0,1,0,0,0,0|3,0,0]=4 8847 B12R0.268 C=C(C)CNCCCOCC(C)C 34a_100000205972_100000748629 [0,1,0,0,0,0|3,0,0]=4 8848 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000123541_100000748629 [0,1,0,0,0,0|2,0,1]=4 8849 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000210245_100009817443 [0,1,0,0,0,0|2,0,1]=4 8850 B12R0.268 C=C(C)COCCCCCC(=O)N 7a_100000123541_100000748629 [0,1,0,0,0,0|2,0,1]=4 8851 B12R0.268 C=C(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748629 [0,1,0,0,0,0|2,0,1]=4 8852 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100000210245_100000210682 [0,1,0,0,0,0|2,0,0]=3 8853 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100011995859_100000748629 [0,1,0,0,0,0|2,0,0]=3 8854 B12R0.268 C=C(C)COCCCCCC(C)C 7a_100011995859_100000748629 [0,1,0,0,0,0|2,0,0]=3 8855 B12R0.268 C=C(C)COCCCCNC(C)C 34a_100011521146_100000748629 [0,1,0,0,0,0|3,0,0]=4 8856 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000073216_100000748629 [0,1,0,0,0,0|2,0,1]=4 8857 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000210245_100000033659 [0,1,0,0,0,0|2,0,1]=4 8858 B12R0.268 C=C(C)COCCCCOC(=O)C 7a_100000073216_100000748629 [0,1,0,0,0,0|2,0,1]=4 8859 B12R0.268 C=C(C)COCCCCSC(=O)C 34a_100000210245_200010402107 [0,1,0,0,0,0|2,0,1]=4 8860 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100000748629_100009817443 [0,1,0,0,0,0|2,0,1]=4 8861 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100009817443_100000211660 [0,1,0,0,0,0|2,0,1]=4 8862 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000210682_100000211660 [0,1,0,0,0,0|2,0,0]=3 8863 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000748629_100000210682 [0,1,0,0,0,0|2,0,0]=3 8864 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000033659_100000211660 [0,1,0,0,0,0|2,0,1]=4 8865 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000748629_100000033659 [0,1,0,0,0,0|2,0,1]=4 8866 B12R0.268 C=C(C)CSCCCCSC(=O)C 62a_100000748629_200010402107 [0,1,0,0,0,0|2,0,1]=4 8867 B12R0.268 C=C(C)CSCCCCSC(=O)C 62a_200010402107_100000211660 [0,1,0,0,0,0|2,0,1]=4 8868 B12R0.268 C=C(F)CNCCCCCC(C)C 2230a_100011290863_100009893438 [0,1,0,0,0,0|2,0,1]=4 8869 B12R0.268 C=C(F)CNCCCCCC(C)C 34a_100011290863_100009893438 [0,1,0,0,0,0|2,0,1]=4 8870 B12R0.268 C=C(F)COCCCCCC(C)C 34a_100011995859_100009893438 [0,1,0,0,0,0|2,0,1]=4 8871 B12R0.268 C=C(F)COCCCCCC(C)C 34a_200010262243_100000210682 [0,1,0,0,0,0|2,0,1]=4 8872 B12R0.268 C=C(F)COCCCCCC(C)C 7a_100011995859_100000042424 [0,1,0,0,0,0|2,0,1]=4 8873 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000042424_100000210682 [0,1,0,0,0,0|2,0,1]=4 8874 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000210682_100000042424 [0,1,0,0,0,0|2,0,1]=4 8875 B12R0.268 CC(=CCCNCCCC(C)C)C 2230a_200000737386_100011217483 [0,1,0,0,0,0|2,0,1]=4 8876 B12R0.268 CC(=CCCNCCCC(C)C)C 34a_200000737386_100011217483 [0,1,0,0,0,0|2,0,1]=4 8877 B12R0.268 CC(=CCCOCCCC(C)C)C 34a_100000210774_100011217483 [0,1,0,0,0,0|2,0,1]=4 8878 B12R0.268 CC(=CCCOCCCC(C)C)C 7a_100000210774_100011217483 [0,1,0,0,0,0|2,0,1]=4 8879 B12R0.268 CC(=CCCSCCCC(C)C)C 62a_100011214892_100011217483 [0,1,0,0,0,0|2,0,1]=4 8880 B12R0.268 CC(=CCCSCCCC(C)C)C 62a_100011217483_100011214892 [0,1,0,0,0,0|2,0,1]=4 8881 B12R0.268 CC(=CCCSCCCC(C)O)C 62a_100011217483_200000718107 [0,1,0,0,0,0|2,0,1]=4 8882 B12R0.268 CC(=CCCSCCCC(C)O)C 62a_200000718107_100011217483 [0,1,0,0,0,0|2,0,1]=4 8883 B12R0.268 CC(=CCNCCCCC(C)C)C 34a_100000718196_100011216152 [0,1,0,0,0,0|2,0,1]=4 8884 B12R0.268 CC(=CCOCCCCC(C)C)C 34a_100000753907_100011216152 [0,1,0,0,0,0|2,0,1]=4 8885 B12R0.268 CC(=CCOCCCCC(C)C)C 34a_100011214890_100000761012 [0,1,0,0,0,0|2,0,1]=4 8886 B12R0.268 CC(=CCOCCCCC(C)C)C 7a_100011214890_100000761012 [0,1,0,0,0,0|2,0,1]=4 8887 B12R0.268 CC(=CCSCCCCC(C)C)C 62a_100000761012_100011216152 [0,1,0,0,0,0|2,0,1]=4 8888 B12R0.268 CC(=CCSCCCCC(C)C)C 62a_100011216152_100000761012 [0,1,0,0,0,0|2,0,1]=4 8889 B12R0.268 CC(=O)CCCCNCC=C(C)C 34a_100000718196_100009817362 [0,1,0,0,0,0|1,0,2]=4 8890 B12R0.268 CC(=O)CCCCOCC=C(C)C 34a_100000753907_100009817362 [0,1,0,0,0,0|1,0,2]=4 8891 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,1,0,0,0,0|1,0,1]=3 8892 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,1,0,0,0,0|1,0,1]=3 8893 B12R0.268 CC(=O)CCCCOCCC(=O)N 34a_100000757172_100009817362 [0,1,0,0,0,0|2,0,1]=4 8894 B12R0.268 CC(=O)CCCCOCCC(=O)N 7a_100000757172_100000735457 [0,1,0,0,0,0|2,0,1]=4 8895 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,1,0,0,0,0|1,0,0]=2 8896 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,1,0,0,0,0|1,0,0]=2 8897 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,1,0,0,0,0|1,0,0]=2 8898 B12R0.268 CC(=O)CCCCOCCC(F)F 34a_100103093639_100009817362 [0,1,0,0,0,0|2,0,0]=3 8899 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,1,0,0,0,0|1,0,0]=2 8900 B12R0.268 CC(=O)CCCCSCC=C(C)C 62a_100000735457_100000761012 [0,1,0,0,0,0|1,0,2]=4 8901 B12R0.268 CC(=O)CCCCSCC=C(C)C 62a_100000761012_100000735457 [0,1,0,0,0,0|1,0,2]=4 8902 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,1,0,0,0,0|1,0,1]=3 8903 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,1,0,0,0,0|1,0,1]=3 8904 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,1,0,0,0,0|2,0,1]=4 8905 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,1,0,0,0,0|2,0,1]=4 8906 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,1,0,0,0,0|1,0,0]=2 8907 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,1,0,0,0,0|1,0,0]=2 8908 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,1,0,0,0,0|1,0,0]=2 8909 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,1,0,0,0,0|1,0,0]=2 8910 B12R0.268 CC(=O)CCCCSCCN(C)C 62a_100000735457_100000755713 [0,1,0,0,0,0|2,0,0]=3 8911 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000076356_100000735457 [0,1,0,0,0,0|2,0,1]=4 8912 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000735457_100000076356 [0,1,0,0,0,0|2,0,1]=4 8913 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000709892_100000735457 [0,1,0,0,0,0|2,0,0]=3 8914 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000735457_100000709892 [0,1,0,0,0,0|2,0,0]=3 8915 B12R0.268 CC(=O)CCCNCCCC(=O)N 34a_100000739312_100000685027 [0,1,0,0,0,0|2,0,1]=4 8916 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,1,0,0,0,0|1,0,0]=2 8917 B12R0.268 CC(=O)CCCNCCOC(C)C 34a_100000701111_100000685027 [0,1,0,0,0,0|2,0,0]=3 8918 B12R0.268 CC(=O)CCCNCCSC(C)C 34a_100000731138_100000685027 [0,1,0,0,0,0|2,0,0]=3 8919 B12R0.268 CC(=O)CCCOCCC=C(C)C 34a_100000759063_100011217483 [0,1,0,0,0,0|1,0,2]=4 8920 B12R0.268 CC(=O)CCCOCCC=C(C)C 7a_100000759063_100011217483 [0,1,0,0,0,0|1,0,2]=4 8921 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,1,0,0,0,0|1,0,1]=3 8922 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,1,0,0,0,0|1,0,1]=3 8923 B12R0.268 CC(=O)CCCOCCCC(=O)N 34a_100000759063_100102525003 [0,1,0,0,0,0|2,0,1]=4 8924 B12R0.268 CC(=O)CCCOCCCC(=O)N 7a_100000759063_100102525003 [0,1,0,0,0,0|2,0,1]=4 8925 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,1,0,0,0,0|1,0,0]=2 8926 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,1,0,0,0,0|1,0,0]=2 8927 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,1,0,0,0,0|1,0,0]=2 8928 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,1,0,0,0,0|1,0,0]=2 8929 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,1,0,0,0,0|1,0,0]=2 8930 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,1,0,0,0,0|1,0,0]=2 8931 B12R0.268 CC(=O)CCCOCCCN(C)C 7a_100000759063_100000757444 [0,1,0,0,0,0|2,0,0]=3 8932 B12R0.268 CC(=O)CCCOCCC[N+](=O)[O-] 34a_200000037920_100000685027 [0,1,0,0,0,0|3,0,0]=4 8933 B12R0.268 CC(=O)CCCOCCNC(=O)C 34a_100000158858_100000685027 [0,1,0,0,0,0|2,0,1]=4 8934 B12R0.268 CC(=O)CCCOCCNC(=O)C 7a_100000759063_100000189650 [0,1,0,0,0,0|2,0,1]=4 8935 B12R0.268 CC(=O)CCCOCCNC(C)C 34a_100000224655_100000685027 [0,1,0,0,0,0|2,0,0]=3 8936 B12R0.268 CC(=O)CCCOCCOC(=O)C 34a_100000759063_100009814007 [0,1,0,0,0,0|2,0,1]=4 8937 B12R0.268 CC(=O)CCCOCCOC(=O)C 7a_100000759063_100009814007 [0,1,0,0,0,0|2,0,1]=4 8938 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000211219_100000685027 [0,1,0,0,0,0|2,0,0]=3 8939 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000759063_100000211751 [0,1,0,0,0,0|2,0,0]=3 8940 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000211219_100011215641 [0,1,0,0,0,0|2,0,0]=3 8941 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000759063_100000211751 [0,1,0,0,0,0|2,0,0]=3 8942 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_100000759063_100000730970 [0,1,0,0,0,0|2,0,0]=3 8943 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_200011212901_100000685027 [0,1,0,0,0,0|2,0,0]=3 8944 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_100000759063_100000730970 [0,1,0,0,0,0|2,0,0]=3 8945 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_200011212901_100011215641 [0,1,0,0,0,0|2,0,0]=3 8946 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011215641_100011217483 [0,1,0,0,0,0|1,0,2]=4 8947 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011217483_100011215641 [0,1,0,0,0,0|1,0,2]=4 8948 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,1,0,0,0,0|1,0,1]=3 8949 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,1,0,0,0,0|2,0,1]=4 8950 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,1,0,0,0,0|2,0,1]=4 8951 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,1,0,0,0,0|1,0,0]=2 8952 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,1,0,0,0,0|1,0,0]=2 8953 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,1,0,0,0,0|1,0,0]=2 8954 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,1,0,0,0,0|1,0,0]=2 8955 B12R0.268 CC(=O)CCCSCCCN(C)C 62a_100011215641_100000757444 [0,1,0,0,0,0|2,0,0]=3 8956 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100000189650_100011215641 [0,1,0,0,0,0|2,0,1]=4 8957 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100011215641_100000189650 [0,1,0,0,0,0|2,0,1]=4 8958 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100009814007_100011215641 [0,1,0,0,0,0|2,0,1]=4 8959 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100011215641_100009814007 [0,1,0,0,0,0|2,0,1]=4 8960 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100000211751_100011215641 [0,1,0,0,0,0|2,0,0]=3 8961 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100011215641_100000211751 [0,1,0,0,0,0|2,0,0]=3 8962 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100000730970_100011215641 [0,1,0,0,0,0|2,0,0]=3 8963 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100011215641_100000730970 [0,1,0,0,0,0|2,0,0]=3 8964 B12R0.268 CC(=O)CCOCCCCB(O)O 34a_100000759926_200009817182 [0,1,0,0,0,0|3,0,0]=4 8965 B12R0.268 CC(=O)CCOCCCCB(O)O 7a_100000759926_200009817182 [0,1,0,0,0,0|3,0,0]=4 8966 B12R0.268 CC(=O)CCOCCCCC(=O)N 7a_100012022536_100000053229 [0,1,0,0,0,0|2,0,1]=4 8967 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,1,0,0,0,0|1,0,0]=2 8968 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,1,0,0,0,0|1,0,0]=2 8969 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,1,0,0,0,0|1,0,0]=2 8970 B12R0.268 CC(=O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000053229 [0,1,0,0,0,0|3,0,0]=4 8971 B12R0.268 CC(=O)CCOCCCOC(=O)C 34a_100000759926_100000042594 [0,1,0,0,0,0|2,0,1]=4 8972 B12R0.268 CC(=O)CCOCCCOC(=O)C 7a_100000759926_100000042594 [0,1,0,0,0,0|2,0,1]=4 8973 B12R0.268 CC(=O)CCOCCCOC(=S)C 34a_100000759926_200135323944 [0,1,0,0,0,0|2,0,1]=4 8974 B12R0.268 CC(=O)CCOCCCOC(=S)C 7a_100000759926_200135323944 [0,1,0,0,0,0|2,0,1]=4 8975 B12R0.268 CC(=O)CCOCCCSC(=O)C 34a_100000759926_100000038929 [0,1,0,0,0,0|2,0,1]=4 8976 B12R0.268 CC(=O)CCOCCCSC(=O)C 7a_100000759926_100000038929 [0,1,0,0,0,0|2,0,1]=4 8977 B12R0.268 CC(=O)CCOCCOCC(C)C 7a_100000703358_100000053229 [0,1,0,0,0,0|2,0,0]=3 8978 B12R0.268 CC(=O)CCOCCOCC(F)F 34a_100000759926_200012177212 [0,1,0,0,0,0|3,0,0]=4 8979 B12R0.268 CC(=O)CCOCCOCC(F)F 7a_100000704375_100000053229 [0,1,0,0,0,0|3,0,0]=4 8980 B12R0.268 CC(=O)CCOCCOCC(F)F 7a_100000759926_200012177212 [0,1,0,0,0,0|3,0,0]=4 8981 B12R0.268 CC(=O)CCOCCSCC(C)C 7a_200000230437_100000053229 [0,1,0,0,0,0|2,0,0]=3 8982 B12R0.268 CC(=O)CCSCCCCB(O)O 62a_100000053229_200009817182 [0,1,0,0,0,0|3,0,0]=4 8983 B12R0.268 CC(=O)CCSCCCCB(O)O 62a_200009817182_100000053229 [0,1,0,0,0,0|3,0,0]=4 8984 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,1,0,0,0,0|1,0,0]=2 8985 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,1,0,0,0,0|1,0,0]=2 8986 B12R0.268 CC(=O)CCSCCCCN(C)C 62a_100000053229_100000690147 [0,1,0,0,0,0|2,0,0]=3 8987 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000042594_100000053229 [0,1,0,0,0,0|2,0,1]=4 8988 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000053229_100000042594 [0,1,0,0,0,0|2,0,1]=4 8989 B12R0.268 CC(=O)CCSCCCOC(=S)C 62a_100000053229_200135323944 [0,1,0,0,0,0|2,0,1]=4 8990 B12R0.268 CC(=O)CCSCCCOC(=S)C 62a_200135323944_100000053229 [0,1,0,0,0,0|2,0,1]=4 8991 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000038929_100000053229 [0,1,0,0,0,0|2,0,1]=4 8992 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000053229_100000038929 [0,1,0,0,0,0|2,0,1]=4 8993 B12R0.268 CC(=O)CCSCCOCC(F)F 62a_100000053229_200012177212 [0,1,0,0,0,0|3,0,0]=4 8994 B12R0.268 CC(=O)CCSCCOCC(F)F 62a_200012177212_100000053229 [0,1,0,0,0,0|3,0,0]=4 8995 B12R0.268 CC(=O)COCCCCCB(O)O 34a_100000211253_200009817188 [0,1,0,0,0,0|3,0,0]=4 8996 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,1,0,0,0,0|2,0,1]=4 8997 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,1,0,0,0,0|1,0,0]=2 8998 B12R0.268 CC(=O)COCCCCOC(=O)C 34a_100000211253_100000033659 [0,1,0,0,0,0|2,0,1]=4 8999 B12R0.268 CC(=O)COCCCCSC(=O)C 34a_100000211253_200010402107 [0,1,0,0,0,0|2,0,1]=4 9000 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,1,0,0,0,0|1,0,0]=2 9001 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,1,0,0,0,0|1,0,0]=2 9002 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,1,0,0,0,0|1,0,0]=2 9003 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,1,0,0,0,0|1,0,0]=2 9004 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [0,1,0,0,0,0|2,0,0]=3 9005 B12R0.268 CC(=O)NCCCCCNC(=O)C 1626a_200012022750_100015343762 [0,1,0,0,0,0|2,0,1]=4 9006 B12R0.268 CC(=O)NCCCCCNC(=O)C 240690a_200012022750_100015343762 [0,1,0,0,0,0|2,0,1]=4 9007 B12R0.268 CC(=O)NCCCCCNC(=O)C 527a_200012022750_100103153847 [0,1,0,0,0,0|2,0,1]=4 9008 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [0,1,0,0,0,0|2,0,0]=3 9009 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [0,1,0,0,0,0|2,0,0]=3 9010 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [0,1,0,0,0,0|2,0,0]=3 9011 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [0,1,0,0,0,0|2,0,0]=3 9012 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [0,1,0,0,0,0|2,0,0]=3 9013 B12R0.268 CC(=O)NCCCCNCC(C)O 2230a_200011368371_100011218427 [0,1,0,0,0,0|2,0,0]=3 9014 B12R0.268 CC(=O)NCCCCNCC(C)O 34a_200011368371_100011218427 [0,1,0,0,0,0|2,0,0]=3 9015 B12R0.268 CC(=O)NCCCCNCC(F)F 2230a_200011368371_100011934356 [0,1,0,0,0,0|3,0,0]=4 9016 B12R0.268 CC(=O)NCCCCNCC(F)F 34a_200011368371_100011934356 [0,1,0,0,0,0|3,0,0]=4 9017 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 2230a_200011368371_100009817552 [0,1,0,0,0,0|2,0,0]=3 9018 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 34a_200011368371_100009817552 [0,1,0,0,0,0|2,0,0]=3 9019 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [0,1,0,0,0,0|2,0,0]=3 9020 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [0,1,0,0,0,0|2,0,0]=3 9021 B12R0.268 CC(=O)NCCCNCCC(C)O 34a_100000736810_100012276601 [0,1,0,0,0,0|2,0,0]=3 9022 B12R0.268 CC(=O)NCCCNCOC(C)C 34a_100000736810_100000709892 [0,1,0,0,0,0|3,0,0]=4 9023 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [0,1,0,0,0,0|2,0,0]=3 9024 B12R0.268 CC(=O)NCCCOCCC(C)O 34a_100000752032_100012276601 [0,1,0,0,0,0|2,0,0]=3 9025 B12R0.268 CC(=O)NCCCOCOC(C)C 34a_100000752032_100000709892 [0,1,0,0,0,0|3,0,0]=4 9026 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [0,1,0,0,0,0|2,0,0]=3 9027 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [0,1,0,0,0,0|2,0,0]=3 9028 B12R0.268 CC(=O)NCCNCCCC(C)O 2230a_100000209853_200000718107 [0,1,0,0,0,0|2,0,0]=3 9029 B12R0.268 CC(=O)NCCNCCCS(=O)C 2230a_200000753449_100000189650 [0,1,0,0,0,0|3,0,0]=4 9030 B12R0.268 CC(=O)NCCNCCOC(C)C 2230a_100000209853_100000211751 [0,1,0,0,0,0|3,0,0]=4 9031 B12R0.268 CC(=O)NCCNCCOC(C)C 2230a_100000701111_100000189650 [0,1,0,0,0,0|3,0,0]=4 9032 B12R0.268 CC(=O)NCCNCCSC(C)C 2230a_100000209853_100000730970 [0,1,0,0,0,0|3,0,0]=4 9033 B12R0.268 CC(=O)NCCNCCSC(C)C 2230a_100000731138_100000189650 [0,1,0,0,0,0|3,0,0]=4 9034 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [0,1,0,0,0,0|2,0,0]=3 9035 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [0,1,0,0,0,0|2,0,0]=3 9036 B12R0.268 CC(=O)NCCOCCCC(C)O 34a_100000158858_200000718107 [0,1,0,0,0,0|2,0,0]=3 9037 B12R0.268 CC(=O)NCCOCCOC(C)C 34a_100000158858_100000211751 [0,1,0,0,0,0|3,0,0]=4 9038 B12R0.268 CC(=O)NCCOCCOC(C)C 7a_100000211219_100000189650 [0,1,0,0,0,0|3,0,0]=4 9039 B12R0.268 CC(=O)NCCOCCSC(C)C 34a_100000158858_100000730970 [0,1,0,0,0,0|3,0,0]=4 9040 B12R0.268 CC(=O)NCCOCCSC(C)C 7a_200011212901_100000189650 [0,1,0,0,0,0|3,0,0]=4 9041 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [0,1,0,0,0,0|2,0,0]=3 9042 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [0,1,0,0,0,0|2,0,0]=3 9043 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_100000189650_200000718107 [0,1,0,0,0,0|2,0,0]=3 9044 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_200000718107_100000189650 [0,1,0,0,0,0|2,0,0]=3 9045 B12R0.268 CC(=O)NCCSCCCN(C)C 62a_100000189650_100000757444 [0,1,0,0,0,0|3,0,0]=4 9046 B12R0.268 CC(=O)NCCSCCOC(C)C 62a_100000189650_100000211751 [0,1,0,0,0,0|3,0,0]=4 9047 B12R0.268 CC(=O)NCCSCCOC(C)C 62a_100000211751_100000189650 [0,1,0,0,0,0|3,0,0]=4 9048 B12R0.268 CC(=O)NCCSCCSC(C)C 62a_100000189650_100000730970 [0,1,0,0,0,0|3,0,0]=4 9049 B12R0.268 CC(=O)NCCSCCSC(C)C 62a_100000730970_100000189650 [0,1,0,0,0,0|3,0,0]=4 9050 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [0,1,0,0,0,0|2,0,0]=3 9051 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [0,1,0,0,0,0|2,0,0]=3 9052 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [0,1,0,0,0,0|2,0,0]=3 9053 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [0,1,0,0,0,0|2,0,0]=3 9054 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [0,1,0,0,0,0|2,0,0]=3 9055 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [0,1,0,0,0,0|2,0,0]=3 9056 B12R0.268 CC(=O)OCCCCNCC(C)O 34a_100000210904_100000033659 [0,1,0,0,0,0|2,0,0]=3 9057 B12R0.268 CC(=O)OCCCCNCC(F)F 34a_100000765723_100000033659 [0,1,0,0,0,0|3,0,0]=4 9058 B12R0.268 CC(=O)OCCCCOCC(C)Br 34a_100012180447_100000033659 [0,1,0,0,0,0|2,0,0]=3 9059 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [0,1,0,0,0,0|2,0,0]=3 9060 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [0,1,0,0,0,0|2,0,0]=3 9061 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [0,1,0,0,0,0|2,0,0]=3 9062 B12R0.268 CC(=O)OCCCCOCC(C)F 34a_100015925927_100000033659 [0,1,0,0,0,0|2,0,0]=3 9063 B12R0.268 CC(=O)OCCCCOCC(C)O 34a_100000073216_100011218427 [0,1,0,0,0,0|2,0,0]=3 9064 B12R0.268 CC(=O)OCCCCOCC(C)O 7a_100000073216_100011218427 [0,1,0,0,0,0|2,0,0]=3 9065 B12R0.268 CC(=O)OCCCCOCC(F)F 34a_100000073216_100011934356 [0,1,0,0,0,0|3,0,0]=4 9066 B12R0.268 CC(=O)OCCCCOCC(F)F 34a_100000743014_100000033659 [0,1,0,0,0,0|3,0,0]=4 9067 B12R0.268 CC(=O)OCCCCOCC(F)F 7a_100000073216_100011934356 [0,1,0,0,0,0|3,0,0]=4 9068 B12R0.268 CC(=O)OCCCCOC[C@@H](C)Cl 34a_100016084084_100000033659 [0,1,0,0,0,0|2,0,0]=3 9069 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [0,1,0,0,0,0|2,0,0]=3 9070 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 34a_100000073216_100009817552 [0,1,0,0,0,0|2,0,0]=3 9071 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 7a_100000073216_100009817552 [0,1,0,0,0,0|2,0,0]=3 9072 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [0,1,0,0,0,0|2,0,0]=3 9073 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [0,1,0,0,0,0|2,0,0]=3 9074 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100000033659_100011218427 [0,1,0,0,0,0|2,0,0]=3 9075 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100011218427_100000033659 [0,1,0,0,0,0|2,0,0]=3 9076 B12R0.268 CC(=O)OCCCCSCC(F)F 62a_100000033659_100011934356 [0,1,0,0,0,0|3,0,0]=4 9077 B12R0.268 CC(=O)OCCCCSCC(F)F 62a_100011934356_100000033659 [0,1,0,0,0,0|3,0,0]=4 9078 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100000033659_100009817552 [0,1,0,0,0,0|2,0,0]=3 9079 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100009817552_100000033659 [0,1,0,0,0,0|2,0,0]=3 9080 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [0,1,0,0,0,0|2,0,0]=3 9081 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [0,1,0,0,0,0|2,0,0]=3 9082 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [0,1,0,0,0,0|2,0,0]=3 9083 B12R0.268 CC(=O)OCCCOCCC(F)F 34a_100103093639_100000042594 [0,1,0,0,0,0|3,0,0]=4 9084 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [0,1,0,0,0,0|2,0,0]=3 9085 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [0,1,0,0,0,0|2,0,0]=3 9086 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [0,1,0,0,0,0|2,0,0]=3 9087 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100000042594_100012276601 [0,1,0,0,0,0|2,0,0]=3 9088 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100012276601_100000042594 [0,1,0,0,0,0|2,0,0]=3 9089 B12R0.268 CC(=O)OCCCSCCN(C)C 62a_100000042594_100000755713 [0,1,0,0,0,0|3,0,0]=4 9090 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000042594_100000709892 [0,1,0,0,0,0|3,0,0]=4 9091 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000709892_100000042594 [0,1,0,0,0,0|3,0,0]=4 9092 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [0,1,0,0,0,0|2,0,0]=3 9093 B12R0.268 CC(=O)OCCNCCOC(C)C 34a_100000701111_100009814007 [0,1,0,0,0,0|3,0,0]=4 9094 B12R0.268 CC(=O)OCCNCCSC(C)C 34a_100000731138_100009814007 [0,1,0,0,0,0|3,0,0]=4 9095 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [0,1,0,0,0,0|2,0,0]=3 9096 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [0,1,0,0,0,0|2,0,0]=3 9097 B12R0.268 CC(=O)OCCOCCNC(C)C 2230a_100138425928_200000083610 [0,1,0,0,0,0|3,0,0]=4 9098 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100000224655_100009814007 [0,1,0,0,0,0|3,0,0]=4 9099 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100138425928_200000083610 [0,1,0,0,0,0|3,0,0]=4 9100 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000211219_100009814007 [0,1,0,0,0,0|3,0,0]=4 9101 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000212225_200000083610 [0,1,0,0,0,0|3,0,0]=4 9102 B12R0.268 CC(=O)OCCOCCOC(C)C 7a_100000211219_100009814007 [0,1,0,0,0,0|3,0,0]=4 9103 B12R0.268 CC(=O)OCCOCCSC(C)C 34a_200011212901_100009814007 [0,1,0,0,0,0|3,0,0]=4 9104 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_100000210206_200000083610 [0,1,0,0,0,0|3,0,0]=4 9105 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_200000083610_100000210206 [0,1,0,0,0,0|3,0,0]=4 9106 B12R0.268 CC(=O)OCCOCCSC(C)C 7a_200011212901_100009814007 [0,1,0,0,0,0|3,0,0]=4 9107 B12R0.268 CC(=O)OCCOCNCC(C)C 34a_100000210953_100000076355 [0,1,0,0,0,0|3,0,0]=4 9108 B12R0.268 CC(=O)OCCOCNCC(C)O 34a_100000210904_100000076355 [0,1,0,0,0,0|3,0,0]=4 9109 B12R0.268 CC(=O)OCCOCOCC(C)Br 34a_100012180447_100000076355 [0,1,0,0,0,0|3,0,0]=4 9110 B12R0.268 CC(=O)OCCOCOCC(C)C 34a_100000210257_100000076355 [0,1,0,0,0,0|3,0,0]=4 9111 B12R0.268 CC(=O)OCCOCOCC(C)F 34a_100015925927_100000076355 [0,1,0,0,0,0|3,0,0]=4 9112 B12R0.268 CC(=O)OCCOCOC[C@@H](C)Cl 34a_100016084084_100000076355 [0,1,0,0,0,0|3,0,0]=4 9113 B12R0.268 CC(=O)OCCOCOC[C@@H](C)N 34a_100000737577_100000076355 [0,1,0,0,0,0|3,0,0]=4 9114 B12R0.268 CC(=O)OCCOCSCC(C)C 62a_100000076355_100000210760 [0,1,0,0,0,0|3,0,0]=4 9115 B12R0.268 CC(=O)OCCOCSCC(C)C 62a_100000210624_100000076355 [0,1,0,0,0,0|3,0,0]=4 9116 B12R0.268 CC(=O)OCCOCSCC(C)O 62a_100000076355_100011218427 [0,1,0,0,0,0|3,0,0]=4 9117 B12R0.268 CC(=O)OCCOCSCC(C)O 62a_100011218427_100000076355 [0,1,0,0,0,0|3,0,0]=4 9118 B12R0.268 CC(=O)OCCOCSC[C@@H](C)O 62a_100000076355_100009817552 [0,1,0,0,0,0|3,0,0]=4 9119 B12R0.268 CC(=O)OCCOCSC[C@@H](C)O 62a_100009817552_100000076355 [0,1,0,0,0,0|3,0,0]=4 9120 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [0,1,0,0,0,0|2,0,0]=3 9121 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [0,1,0,0,0,0|2,0,0]=3 9122 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_100009814007_200000718107 [0,1,0,0,0,0|2,0,0]=3 9123 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_200000718107_100009814007 [0,1,0,0,0,0|2,0,0]=3 9124 B12R0.268 CC(=O)OCCSCCCN(C)C 62a_100009814007_100000757444 [0,1,0,0,0,0|3,0,0]=4 9125 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100000211751_100009814007 [0,1,0,0,0,0|3,0,0]=4 9126 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100009814007_100000211751 [0,1,0,0,0,0|3,0,0]=4 9127 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100000730970_100009814007 [0,1,0,0,0,0|3,0,0]=4 9128 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100009814007_100000730970 [0,1,0,0,0,0|3,0,0]=4 9129 B12R0.268 CC(=O)OCNCCCOC(C)C 34a_100000737246_100009813279 [0,1,0,0,0,0|3,0,0]=4 9130 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [0,1,0,0,0,0|2,0,0]=3 9131 B12R0.268 CC(=O)OCOCCCNC(C)C 34a_100000182298_100009813279 [0,1,0,0,0,0|3,0,0]=4 9132 B12R0.268 CC(=O)OCOCCNCC(C)C 34a_100015185251_100009813279 [0,1,0,0,0,0|3,0,0]=4 9133 B12R0.268 CC(=O)OCOCCOCC(C)C 34a_100000703358_100009813279 [0,1,0,0,0,0|3,0,0]=4 9134 B12R0.268 CC(=O)OCOCCSCC(C)C 34a_200000230437_100009813279 [0,1,0,0,0,0|3,0,0]=4 9135 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [0,1,0,0,0,0|2,0,0]=3 9136 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [0,1,0,0,0,0|2,0,0]=3 9137 B12R0.268 CC(=O)OCSCCCCN(C)C 62a_100000076356_100000690147 [0,1,0,0,0,0|3,0,0]=4 9138 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [0,1,0,0,0,0|2,0,0]=3 9139 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [0,1,0,0,0,0|2,0,0]=3 9140 B12R0.268 CC(=O)SCCCCNCC(C)O 2230a_100000210904_200010402107 [0,1,0,0,0,0|2,0,0]=3 9141 B12R0.268 CC(=O)SCCCCNCC(C)O 34a_100000210904_200010402107 [0,1,0,0,0,0|2,0,0]=3 9142 B12R0.268 CC(=O)SCCCCNCC(F)F 34a_100000765723_200010402107 [0,1,0,0,0,0|3,0,0]=4 9143 B12R0.268 CC(=O)SCCCCOCC(C)Br 34a_100012180447_200010402107 [0,1,0,0,0,0|2,0,0]=3 9144 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [0,1,0,0,0,0|2,0,0]=3 9145 B12R0.268 CC(=O)SCCCCOCC(C)F 34a_100015925927_200010402107 [0,1,0,0,0,0|2,0,0]=3 9146 B12R0.268 CC(=O)SCCCCOCC(F)F 34a_100000743014_200010402107 [0,1,0,0,0,0|3,0,0]=4 9147 B12R0.268 CC(=O)SCCCCOC[C@@H](C)Cl 34a_100016084084_200010402107 [0,1,0,0,0,0|2,0,0]=3 9148 B12R0.268 CC(=O)SCCCCOC[C@@H](C)N 34a_100000737577_200010402107 [0,1,0,0,0,0|2,0,0]=3 9149 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [0,1,0,0,0,0|2,0,0]=3 9150 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [0,1,0,0,0,0|2,0,0]=3 9151 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_100011218427_200010402107 [0,1,0,0,0,0|2,0,0]=3 9152 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_200010402107_100011218427 [0,1,0,0,0,0|2,0,0]=3 9153 B12R0.268 CC(=O)SCCCCSCC(F)F 62a_100011934356_200010402107 [0,1,0,0,0,0|3,0,0]=4 9154 B12R0.268 CC(=O)SCCCCSCC(F)F 62a_200010402107_100011934356 [0,1,0,0,0,0|3,0,0]=4 9155 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_100009817552_200010402107 [0,1,0,0,0,0|2,0,0]=3 9156 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_200010402107_100009817552 [0,1,0,0,0,0|2,0,0]=3 9157 B12R0.268 CC(=O)SCCCNCCC(C)O 2230a_200000755665_100000038929 [0,1,0,0,0,0|2,0,0]=3 9158 B12R0.268 CC(=O)SCCCOCCC(C)Br 34a_100009893172_100000038929 [0,1,0,0,0,0|2,0,0]=3 9159 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [0,1,0,0,0,0|2,0,0]=3 9160 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [0,1,0,0,0,0|2,0,0]=3 9161 B12R0.268 CC(=O)SCCCOCCC(F)F 34a_100103093639_100000038929 [0,1,0,0,0,0|3,0,0]=4 9162 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [0,1,0,0,0,0|2,0,0]=3 9163 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [0,1,0,0,0,0|2,0,0]=3 9164 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [0,1,0,0,0,0|2,0,0]=3 9165 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100000038929_100012276601 [0,1,0,0,0,0|2,0,0]=3 9166 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100012276601_100000038929 [0,1,0,0,0,0|2,0,0]=3 9167 B12R0.268 CC(=O)SCCCSCCN(C)C 62a_100000038929_100000755713 [0,1,0,0,0,0|3,0,0]=4 9168 B12R0.268 CC(=O)SCCCSCOC(C)C 62a_100000038929_100000709892 [0,1,0,0,0,0|3,0,0]=4 9169 B12R0.268 CC(=O)SCCCSCOC(C)C 62a_100000709892_100000038929 [0,1,0,0,0,0|3,0,0]=4 9170 B12R0.268 CC(=S)OCCCNCCC(C)O 2230a_200000755665_200135323944 [0,1,0,0,0,0|2,1,0]=4 9171 B12R0.268 CC(=S)OCCCOCCC(C)Br 34a_100009893172_200135323944 [0,1,0,0,0,0|2,1,0]=4 9172 B12R0.268 CC(=S)OCCCOCCC(C)C 34a_100000210254_200135323944 [0,1,0,0,0,0|2,1,0]=4 9173 B12R0.268 CC(=S)OCCCOCCC(C)C 7a_100000210254_200135323944 [0,1,0,0,0,0|2,1,0]=4 9174 B12R0.268 CC(=S)OCCCOCC[C@@H](C)N 34a_100000706166_200135323944 [0,1,0,0,0,0|2,1,0]=4 9175 B12R0.268 CC(=S)OCCCSCCC(C)C 62a_100000210312_200135323944 [0,1,0,0,0,0|2,1,0]=4 9176 B12R0.268 CC(=S)OCCCSCCC(C)C 62a_200135323944_100000210312 [0,1,0,0,0,0|2,1,0]=4 9177 B12R0.268 CC(=S)OCCCSCCC(C)O 62a_100012276601_200135323944 [0,1,0,0,0,0|2,1,0]=4 9178 B12R0.268 CC(=S)OCCCSCCC(C)O 62a_200135323944_100012276601 [0,1,0,0,0,0|2,1,0]=4 9179 B12R0.268 CC(Br)CCOCCOCC(=O)N 34a_100009893172_100000076697 [0,1,0,0,0,0|3,0,0]=4 9180 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [0,1,0,0,0,0|2,0,0]=3 9181 B12R0.268 CC(C)CCCCCCNC(C)C 2230a_100000211014_100000210206 [0,1,0,0,0,0|2,0,1]=4 9182 B12R0.268 CC(C)CCCCCCNC(C)C 34a_100000211014_100000210206 [0,1,0,0,0,0|2,0,1]=4 9183 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [0,1,0,0,0,0|2,0,0]=3 9184 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [0,1,0,0,0,0|2,0,0]=3 9185 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [0,1,0,0,0,0|2,0,0]=3 9186 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,1,0,0,0,0|2,0,0]=3 9187 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [0,1,0,0,0,0|2,0,0]=3 9188 B12R0.268 CC(C)CCCCCNCC(C)C 2230a_100000210953_100000210682 [0,1,0,0,0,0|2,0,1]=4 9189 B12R0.268 CC(C)CCCCCNCC(C)C 2230a_100011290863_100000210760 [0,1,0,0,0,0|2,0,1]=4 9190 B12R0.268 CC(C)CCCCCNCC(C)C 270004a_100011290863_100000210432 [0,1,0,0,0,0|2,0,1]=4 9191 B12R0.268 CC(C)CCCCCNCC(C)C 34a_100000210953_100000210682 [0,1,0,0,0,0|2,0,1]=4 9192 B12R0.268 CC(C)CCCCCNCC(C)C 34a_100011290863_100000210624 [0,1,0,0,0,0|2,0,1]=4 9193 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100000210904_100000210682 [0,1,0,0,0,0|1,0,2]=4 9194 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100011290863_100011218427 [0,1,0,0,0,0|1,0,2]=4 9195 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100000210904_100000210682 [0,1,0,0,0,0|1,0,2]=4 9196 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100011290863_100011218427 [0,1,0,0,0,0|1,0,2]=4 9197 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 2230a_100011290863_100009817552 [0,1,0,0,0,0|1,0,2]=4 9198 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 34a_100011290863_100009817552 [0,1,0,0,0,0|1,0,2]=4 9199 B12R0.268 CC(C)CCCCCNC[N+](=O)[O-] 34a_100011290863_100000761209 [0,1,0,0,0,0|3,0,0]=4 9200 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [0,1,0,0,0,0|2,0,0]=3 9201 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [0,1,0,0,0,0|2,0,0]=3 9202 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [0,1,0,0,0,0|2,0,0]=3 9203 B12R0.268 CC(C)CCCCCOCC(C)Br 34a_100012180447_100000210682 [0,1,0,0,0,0|2,0,1]=4 9204 B12R0.268 CC(C)CCCCCOCC(C)C 34a_100000210257_100000210682 [0,1,0,0,0,0|2,0,1]=4 9205 B12R0.268 CC(C)CCCCCOCC(C)C 34a_100011995859_100000210624 [0,1,0,0,0,0|2,0,1]=4 9206 B12R0.268 CC(C)CCCCCOCC(C)C 7a_100011995859_100000210760 [0,1,0,0,0,0|2,0,1]=4 9207 B12R0.268 CC(C)CCCCCOCC(C)F 34a_100015925927_100000210682 [0,1,0,0,0,0|2,0,1]=4 9208 B12R0.268 CC(C)CCCCCOCC(C)O 34a_100011995859_100011218427 [0,1,0,0,0,0|1,0,2]=4 9209 B12R0.268 CC(C)CCCCCOCC(C)O 7a_100011995859_100011218427 [0,1,0,0,0,0|1,0,2]=4 9210 B12R0.268 CC(C)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000210682 [0,1,0,0,0,0|2,0,1]=4 9211 B12R0.268 CC(C)CCCCCOC[C@@H](C)N 34a_100000737577_100000210682 [0,1,0,0,0,0|2,0,1]=4 9212 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 34a_100011995859_100009817552 [0,1,0,0,0,0|1,0,2]=4 9213 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 7a_100011995859_100009817552 [0,1,0,0,0,0|1,0,2]=4 9214 B12R0.268 CC(C)CCCCCOC[N+](=O)[O-] 34a_100011995859_100000761209 [0,1,0,0,0,0|3,0,0]=4 9215 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,1,0,0,0,0|2,0,0]=3 9216 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,1,0,0,0,0|2,0,0]=3 9217 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [0,1,0,0,0,0|2,0,0]=3 9218 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [0,1,0,0,0,0|2,0,0]=3 9219 B12R0.268 CC(C)CCCCCSCC(C)C 62a_100000210624_100000210682 [0,1,0,0,0,0|2,0,1]=4 9220 B12R0.268 CC(C)CCCCCSCC(C)C 62a_100000210682_100000210760 [0,1,0,0,0,0|2,0,1]=4 9221 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100000210682_100011218427 [0,1,0,0,0,0|1,0,2]=4 9222 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100011218427_100000210682 [0,1,0,0,0,0|1,0,2]=4 9223 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100000210682_100009817552 [0,1,0,0,0,0|1,0,2]=4 9224 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100009817552_100000210682 [0,1,0,0,0,0|1,0,2]=4 9225 B12R0.268 CC(C)CCCCCSC[N+](=O)[O-] 62a_100000210682_100000761209 [0,1,0,0,0,0|3,0,0]=4 9226 B12R0.268 CC(C)CCCCNCCC(C)O 2230a_200000755665_100011216152 [0,1,0,0,0,0|1,0,2]=4 9227 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [0,1,0,0,0,0|3,0,0]=4 9228 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [0,1,0,0,0,0|2,0,0]=3 9229 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [0,1,0,0,0,0|2,0,0]=3 9230 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [0,1,0,0,0,0|2,0,0]=3 9231 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [0,1,0,0,0,0|2,0,0]=3 9232 B12R0.268 CC(C)CCCCOCCC(C)Br 34a_100009893172_100011216152 [0,1,0,0,0,0|2,0,1]=4 9233 B12R0.268 CC(C)CCCCOCCC(C)C 34a_100000210254_100011216152 [0,1,0,0,0,0|2,0,1]=4 9234 B12R0.268 CC(C)CCCCOCCC(C)C 34a_100011214890_100000210312 [0,1,0,0,0,0|2,0,1]=4 9235 B12R0.268 CC(C)CCCCOCCC(C)C 7a_100000210254_100011216152 [0,1,0,0,0,0|2,0,1]=4 9236 B12R0.268 CC(C)CCCCOCCC(C)C 7a_100011214890_100000210626 [0,1,0,0,0,0|2,0,1]=4 9237 B12R0.268 CC(C)CCCCOCCC(C)O 34a_100011214890_100012276601 [0,1,0,0,0,0|1,0,2]=4 9238 B12R0.268 CC(C)CCCCOCCC(C)O 7a_100011214890_100012276601 [0,1,0,0,0,0|1,0,2]=4 9239 B12R0.268 CC(C)CCCCOCCN(C)C 7a_100011214890_100000755713 [0,1,0,0,0,0|3,0,0]=4 9240 B12R0.268 CC(C)CCCCOCC[C@@H](C)N 34a_100000706166_100011216152 [0,1,0,0,0,0|2,0,1]=4 9241 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,1,0,0,0,0|2,0,0]=3 9242 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,1,0,0,0,0|2,0,0]=3 9243 B12R0.268 CC(C)CCCCSCCC(C)C 62a_100000210312_100011216152 [0,1,0,0,0,0|2,0,1]=4 9244 B12R0.268 CC(C)CCCCSCCC(C)C 62a_100011216152_100000210312 [0,1,0,0,0,0|2,0,1]=4 9245 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100011216152_100012276601 [0,1,0,0,0,0|1,0,2]=4 9246 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100012276601_100011216152 [0,1,0,0,0,0|1,0,2]=4 9247 B12R0.268 CC(C)CCCCSCCN(C)C 62a_100011216152_100000755713 [0,1,0,0,0,0|3,0,0]=4 9248 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [0,1,0,0,0,0|2,0,0]=3 9249 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [0,1,0,0,0,0|2,0,0]=3 9250 B12R0.268 CC(C)CCCNCCCC(C)C 2230a_200000737386_100011214892 [0,1,0,0,0,0|2,0,1]=4 9251 B12R0.268 CC(C)CCCNCCCC(C)C 34a_200000737386_100011214892 [0,1,0,0,0,0|2,0,1]=4 9252 B12R0.268 CC(C)CCCNCCCC(C)O 2230a_200000737386_200000718107 [0,1,0,0,0,0|1,0,2]=4 9253 B12R0.268 CC(C)CCCNCCCC(C)O 34a_200000737386_200000718107 [0,1,0,0,0,0|1,0,2]=4 9254 B12R0.268 CC(C)CCCNCCCS(=O)C 2230a_200000753449_100011214892 [0,1,0,0,0,0|2,0,0]=3 9255 B12R0.268 CC(C)CCCNCCNC(=O)N 2230a_200000737386_200000034859 [0,1,0,0,0,0|3,0,0]=4 9256 B12R0.268 CC(C)CCCNCCNC(=O)N 34a_100020590234_100011214892 [0,1,0,0,0,0|3,0,0]=4 9257 B12R0.268 CC(C)CCCNCCOC(=O)N 34a_200000737386_200011214921 [0,1,0,0,0,0|3,0,0]=4 9258 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,1,0,0,0,0|2,0,0]=3 9259 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,1,0,0,0,0|2,0,0]=3 9260 B12R0.268 CC(C)CCCOCCCC(C)C 34a_100000210774_100011214892 [0,1,0,0,0,0|2,0,1]=4 9261 B12R0.268 CC(C)CCCOCCCC(C)C 7a_100000210774_100011214892 [0,1,0,0,0,0|2,0,1]=4 9262 B12R0.268 CC(C)CCCOCCCC(C)O 34a_100000210774_200000718107 [0,1,0,0,0,0|1,0,2]=4 9263 B12R0.268 CC(C)CCCOCCCC(C)O 7a_100000210774_200000718107 [0,1,0,0,0,0|1,0,2]=4 9264 B12R0.268 CC(C)CCCOCCCN(C)C 7a_100000210774_100000757444 [0,1,0,0,0,0|3,0,0]=4 9265 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 34a_200000037920_100011214892 [0,1,0,0,0,0|3,0,0]=4 9266 B12R0.268 CC(C)CCCOCCNC(=O)N 34a_100000181757_100011214892 [0,1,0,0,0,0|3,0,0]=4 9267 B12R0.268 CC(C)CCCOCCNC(=O)N 7a_100000210774_200000034859 [0,1,0,0,0,0|3,0,0]=4 9268 B12R0.268 CC(C)CCCOCCOC(=O)N 34a_100000210774_200011214921 [0,1,0,0,0,0|3,0,0]=4 9269 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000210774_200011214921 [0,1,0,0,0,0|3,0,0]=4 9270 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000766696_100011214892 [0,1,0,0,0,0|3,0,0]=4 9271 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [0,1,0,0,0,0|2,0,0]=3 9272 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [0,1,0,0,0,0|2,0,0]=3 9273 B12R0.268 CC(C)CCCSCCCC(C)C 62a_100011214892_100011214892 [0,1,0,0,0,0|2,0,1]=4 9274 B12R0.268 CC(C)CCCSCCCC(C)O 62a_100011214892_200000718107 [0,1,0,0,0,0|1,0,2]=4 9275 B12R0.268 CC(C)CCCSCCCC(C)O 62a_200000718107_100011214892 [0,1,0,0,0,0|1,0,2]=4 9276 B12R0.268 CC(C)CCCSCCCN(C)C 62a_100011214892_100000757444 [0,1,0,0,0,0|3,0,0]=4 9277 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_100011214892_200000034859 [0,1,0,0,0,0|3,0,0]=4 9278 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_200000034859_100011214892 [0,1,0,0,0,0|3,0,0]=4 9279 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_100011214892_200011214921 [0,1,0,0,0,0|3,0,0]=4 9280 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_200011214921_100011214892 [0,1,0,0,0,0|3,0,0]=4 9281 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [0,1,0,0,0,0|2,0,0]=3 9282 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [0,1,0,0,0,0|2,0,0]=3 9283 B12R0.268 CC(C)CCNCCCCN(C)C 269862a_100025707445_100000185833 [0,1,0,0,0,0|3,0,0]=4 9284 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [0,1,0,0,0,0|3,0,0]=4 9285 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [0,1,0,0,0,0|2,0,0]=3 9286 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [0,1,0,0,0,0|2,0,0]=3 9287 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210312 [0,1,0,0,0,0|3,0,0]=4 9288 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210626 [0,1,0,0,0,0|3,0,0]=4 9289 B12R0.268 CC(C)CCOCCOCC(=O)N 34a_100000210254_100000076697 [0,1,0,0,0,0|3,0,0]=4 9290 B12R0.268 CC(C)CCOCCOCC(=O)N 7a_100000210254_100000076697 [0,1,0,0,0,0|3,0,0]=4 9291 B12R0.268 CC(C)CCSCCCCN(C)C 62a_100000210312_100000690147 [0,1,0,0,0,0|3,0,0]=4 9292 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000076697_100000210312 [0,1,0,0,0,0|3,0,0]=4 9293 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000210312_100000076697 [0,1,0,0,0,0|3,0,0]=4 9294 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [0,1,0,0,0,0|2,0,0]=3 9295 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [0,1,0,0,0,0|2,0,0]=3 9296 B12R0.268 CC(C)CNCCOCCC(=O)N 34a_100015185251_100000731001 [0,1,0,0,0,0|3,0,0]=4 9297 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [0,1,0,0,0,0|2,0,0]=3 9298 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [0,1,0,0,0,0|2,0,0]=3 9299 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [0,1,0,0,0,0|2,0,0]=3 9300 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [0,1,0,0,0,0|2,0,0]=3 9301 B12R0.268 CC(C)COCCCNCC(=O)N 2230a_100000205972_100000747473 [0,1,0,0,0,0|3,0,0]=4 9302 B12R0.268 CC(C)COCCCNCC(=O)N 34a_100000205972_100000187820 [0,1,0,0,0,0|3,0,0]=4 9303 B12R0.268 CC(C)COCCCNCC(=O)[O-] 34a_100000205972_100020667443 [0,1,0,0,0,0|3,0,0]=4 9304 B12R0.268 CC(C)COCCOCCC(=O)N 34a_100000703358_100000731001 [0,1,0,0,0,0|3,0,0]=4 9305 B12R0.268 CC(C)COCCOCCC(=O)N 7a_100000703358_100000744528 [0,1,0,0,0,0|3,0,0]=4 9306 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [0,1,0,0,0,0|2,0,0]=3 9307 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [0,1,0,0,0,0|2,0,0]=3 9308 B12R0.268 CC(C)CSCCOCCC(=O)N 34a_200000230437_100000731001 [0,1,0,0,0,0|3,0,0]=4 9309 B12R0.268 CC(C)CSCCOCCC(=O)N 7a_200000230437_100000744528 [0,1,0,0,0,0|3,0,0]=4 9310 B12R0.268 CC(C)NCCCCOCC(=O)N 34a_100011521146_100000187820 [0,1,0,0,0,0|3,0,0]=4 9311 B12R0.268 CC(C)NCCCCOCC(=O)[O-] 34a_100011521146_100020667443 [0,1,0,0,0,0|3,0,0]=4 9312 B12R0.268 CC(C)NCCCOCCC(=O)N 34a_100000182298_100000731001 [0,1,0,0,0,0|3,0,0]=4 9313 B12R0.268 CC(C)NCCOCCCC(=O)N 34a_100000224655_100102525003 [0,1,0,0,0,0|3,0,0]=4 9314 B12R0.268 CC(C)OCCCNCCC(=O)N 2230a_100000737246_100000744528 [0,1,0,0,0,0|3,0,0]=4 9315 B12R0.268 CC(C)OCCCNCCC(=O)N 34a_100000737246_100000731001 [0,1,0,0,0,0|3,0,0]=4 9316 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000701111_100102525003 [0,1,0,0,0,0|3,0,0]=4 9317 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000739312_100000211751 [0,1,0,0,0,0|3,0,0]=4 9318 B12R0.268 CC(C)OCCNCCCS(=O)C 2230a_200000753449_100000211751 [0,1,0,0,0,0|3,0,0]=4 9319 B12R0.268 CC(C)OCCOCCCC(=O)N 34a_100000211219_100102525003 [0,1,0,0,0,0|3,0,0]=4 9320 B12R0.268 CC(C)OCCOCCCC(=O)N 7a_100000211219_100102525003 [0,1,0,0,0,0|3,0,0]=4 9321 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100000211751_100102525003 [0,1,0,0,0,0|3,0,0]=4 9322 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100102525003_100000211751 [0,1,0,0,0,0|3,0,0]=4 9323 B12R0.268 CC(C)OCNCCCCC(=O)N 34a_100000696515_100000709892 [0,1,0,0,0,0|3,0,0]=4 9324 B12R0.268 CC(C)OCOCCCCC(=O)N 34a_100012022536_100000709892 [0,1,0,0,0,0|3,0,0]=4 9325 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000731138_100102525003 [0,1,0,0,0,0|3,0,0]=4 9326 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000739312_100000730970 [0,1,0,0,0,0|3,0,0]=4 9327 B12R0.268 CC(C)SCCNCCCS(=O)C 2230a_200000753449_100000730970 [0,1,0,0,0,0|3,0,0]=4 9328 B12R0.268 CC(C)SCCOCCCC(=O)N 34a_200011212901_100102525003 [0,1,0,0,0,0|3,0,0]=4 9329 B12R0.268 CC(C)SCCOCCCC(=O)N 7a_200011212901_100102525003 [0,1,0,0,0,0|3,0,0]=4 9330 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100000730970_100102525003 [0,1,0,0,0,0|3,0,0]=4 9331 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100102525003_100000730970 [0,1,0,0,0,0|3,0,0]=4 9332 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [0,1,0,0,0,0|2,0,0]=3 9333 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,1,0,0,0,0|2,0,0]=3 9334 B12R0.268 CC(O)CCCNCCCS(=O)C 2230a_200000753449_200000718107 [0,1,0,0,0,0|2,0,0]=3 9335 B12R0.268 CC(O)CCCNCCNC(=O)N 34a_100020590234_200000718107 [0,1,0,0,0,0|3,0,0]=4 9336 B12R0.268 CC(O)CCCOCCC[N+](=O)[O-] 34a_200000037920_200000718107 [0,1,0,0,0,0|3,0,0]=4 9337 B12R0.268 CC(O)CCCOCCNC(=O)N 34a_100000181757_200000718107 [0,1,0,0,0,0|3,0,0]=4 9338 B12R0.268 CC(O)CCCOCCOC(=O)N 7a_100000766696_200000718107 [0,1,0,0,0,0|3,0,0]=4 9339 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,1,0,0,0,0|2,0,0]=3 9340 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,1,0,0,0,0|2,0,0]=3 9341 B12R0.268 CC(O)CCCSCCCC(C)O 62a_200000718107_200000718107 [0,1,0,0,0,0|1,0,2]=4 9342 B12R0.268 CC(O)CCCSCCCN(C)C 62a_200000718107_100000757444 [0,1,0,0,0,0|3,0,0]=4 9343 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000034859_200000718107 [0,1,0,0,0,0|3,0,0]=4 9344 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000718107_200000034859 [0,1,0,0,0,0|3,0,0]=4 9345 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200000718107_200011214921 [0,1,0,0,0,0|3,0,0]=4 9346 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200011214921_200000718107 [0,1,0,0,0,0|3,0,0]=4 9347 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [0,1,0,0,0,0|2,0,0]=3 9348 B12R0.268 CC(O)CCNCCOCC(=O)N 2230a_200000755665_100000076697 [0,1,0,0,0,0|3,0,0]=4 9349 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,1,0,0,0,0|3,0,0]=4 9350 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,1,0,0,0,0|2,0,0]=3 9351 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,1,0,0,0,0|2,0,0]=3 9352 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100012276601 [0,1,0,0,0,0|3,0,0]=4 9353 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100012276601 [0,1,0,0,0,0|3,0,0]=4 9354 B12R0.268 CC(O)CCSCCCCN(C)C 62a_100012276601_100000690147 [0,1,0,0,0,0|3,0,0]=4 9355 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100000076697_100012276601 [0,1,0,0,0,0|3,0,0]=4 9356 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100012276601_100000076697 [0,1,0,0,0,0|3,0,0]=4 9357 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [0,1,0,0,0,0|2,0,0]=3 9358 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [0,1,0,0,0,0|2,0,0]=3 9359 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [0,1,0,0,0,0|2,0,0]=3 9360 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [0,1,0,0,0,0|2,0,0]=3 9361 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [0,1,0,0,0,0|2,0,0]=3 9362 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [0,1,0,0,0,0|2,0,0]=3 9363 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [0,1,0,0,0,0|2,0,0]=3 9364 B12R0.268 CN(C)CCCCSCCC(=O)N 62a_100000744528_100000690147 [0,1,0,0,0,0|3,0,0]=4 9365 B12R0.268 CN(C)CCCSCCCC(=O)N 62a_100102525003_100000757444 [0,1,0,0,0,0|3,0,0]=4 9366 B12R0.268 CN(C)CCOCCCCC(=O)N 7a_100012022536_100000755713 [0,1,0,0,0,0|3,0,0]=4 9367 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [0,1,0,0,0,0|2,0,0]=3 9368 B12R0.268 C[C@@H](N)CCOCCOCC(=O)N 34a_100000706166_100000076697 [0,1,0,0,0,0|3,0,0]=4 9369 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [0,1,0,0,0,0|2,0,0]=3 9370 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [0,1,0,0,0,0|2,0,0]=3 9371 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [0,1,0,0,0,0|2,0,0]=3 9372 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [0,1,0,0,0,0|2,0,0]=3 9373 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [0,1,0,0,0,0|2,0,0]=3 9374 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [0,1,0,0,0,0|2,0,0]=3 9375 B12R0.268 NC(=O)CCCCCNCC(F)F 34a_100000765723_100009817443 [0,1,0,0,0,0|3,0,0]=4 9376 B12R0.268 NC(=O)CCCCCOCC(F)F 34a_100000123541_100011934356 [0,1,0,0,0,0|3,0,0]=4 9377 B12R0.268 NC(=O)CCCCCOCC(F)F 34a_100000743014_100009817443 [0,1,0,0,0,0|3,0,0]=4 9378 B12R0.268 NC(=O)CCCCCOCC(F)F 7a_100000123541_100011934356 [0,1,0,0,0,0|3,0,0]=4 9379 B12R0.268 NC(=O)CCCCCSCC(F)F 62a_100009817443_100011934356 [0,1,0,0,0,0|3,0,0]=4 9380 B12R0.268 NC(=O)CCCCCSCC(F)F 62a_100011934356_100009817443 [0,1,0,0,0,0|3,0,0]=4 9381 B12R0.268 O=C([O-])CCCCCOCC(F)F 7a_100102619762_100011934356 [0,1,0,0,0,0|3,0,0]=4 9382 B12R0.277 C#CCC(C)OCCCCC(=O)C 34a_100000685586_100009817362 [0,1,0,0,0,0|1,0,2]=4 9383 B12R0.277 C#CCC(C)OCCCCC(=O)C 7a_100000685586_100000735457 [0,1,0,0,0,0|1,0,2]=4 9384 B12R0.277 C/C=C/C(C)OCCCCC(=O)C 34a_200102604097_100009817362 [0,1,0,0,0,0|1,0,2]=4 9385 B12R0.277 C=C(C)CCOCCC(C)CCC 34a_100011217855_100000730704 [0,1,0,0,0,0|2,0,0]=3 9386 B12R0.277 C=C(C)CCOCCC(C)CCC 7a_100011217855_100000730704 [0,1,0,0,0,0|2,0,0]=3 9387 B12R0.277 C=C(C)CCOCC[C@@H](N)CCC 34a_100015193777_100000730704 [0,1,0,0,0,0|2,0,0]=3 9388 B12R0.277 C=C(C)COCCCC(C)CCC 34a_100011713154_100000748629 [0,1,0,0,0,0|2,0,0]=3 9389 B12R0.277 C=C(C)COCCCC(C)CCC 7a_100011713154_100000748629 [0,1,0,0,0,0|2,0,0]=3 9390 B12R0.277 C=C(F)COCCCC(C)CCC 34a_100011713154_100009893438 [0,1,0,0,0,0|2,0,1]=4 9391 B12R0.277 C=C(F)COCCCC(C)CCC 7a_100011713154_100000042424 [0,1,0,0,0,0|2,0,1]=4 9392 B12R0.277 C=CCC(C)COCCCC(=O)C 34a_100009832082_100000685027 [0,1,0,0,0,0|1,0,2]=4 9393 B12R0.277 C=CCC(C)COCCCC(=O)C 7a_100009832082_100011215641 [0,1,0,0,0,0|1,0,2]=4 9394 B12R0.277 C=CC[C@@H](C)OCCCCC(=O)C 34a_100000731007_100009817362 [0,1,0,0,0,0|1,0,2]=4 9395 B12R0.277 C=CC[C@@H](C)OCCCCC(=O)C 7a_100000731007_100000735457 [0,1,0,0,0,0|1,0,2]=4 9396 B12R0.277 C=CC[C@@H](N)COCCCC(=O)C 34a_100020615467_100000685027 [0,1,0,0,0,0|1,0,2]=4 9397 B12R0.277 CC#CC(C)OCCCCC(=O)C 34a_100011216543_100009817362 [0,1,0,0,0,0|1,0,2]=4 9398 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,1,0,0,0,0|2,0,0]=3 9399 B12R0.277 CC(=O)CCCCOC(C)CCBr 34a_100012276601_100009817362 [0,1,0,0,0,0|2,0,0]=3 9400 B12R0.277 CC(=O)CCCCSC(C)CC#N 62a_100000735457_100009813641 [0,1,0,0,0,0|2,0,1]=4 9401 B12R0.277 CC(=O)CCCCSC(C)CC#N 62a_100009813641_100000735457 [0,1,0,0,0,0|2,0,1]=4 9402 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,1,0,0,0,0|2,0,0]=3 9403 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,1,0,0,0,0|2,0,0]=3 9404 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,1,0,0,0,0|2,0,0]=3 9405 B12R0.277 CC(=O)CCCOC[C@@H](O)CC#N 7a_100000759063_100000001066 [0,1,0,0,0,0|2,0,1]=4 9406 B12R0.277 CC(=O)CCCSC[C@@H](O)CC#N 62a_100000001066_100011215641 [0,1,0,0,0,0|2,0,1]=4 9407 B12R0.277 CC(=O)CCCSC[C@@H](O)CC#N 62a_100011215641_100000001066 [0,1,0,0,0,0|2,0,1]=4 9408 B12R0.277 CC(=O)NCCCNC(C)CCO 34a_100000736810_100009893172 [0,1,0,0,0,0|3,0,0]=4 9409 B12R0.277 CC(=O)NCCCOC(C)CCO 34a_100000752032_100009893172 [0,1,0,0,0,0|3,0,0]=4 9410 B12R0.277 CC(=O)OCCCCC(=O)CCO 1458a_100011216618_100000033659 [0,1,0,0,0,0|2,0,1]=4 9411 B12R0.277 CC(=O)OCCCCN(C)CCO 269982a_100000210263_100000033659 [0,1,0,0,0,0|3,0,0]=4 9412 B12R0.277 CC(=O)OCCCN[C@H](C)CCO 34a_100000706166_100000042594 [0,1,0,0,0,0|3,0,0]=4 9413 B12R0.277 CC(=O)OCCCOC(C)CCBr 34a_100012276601_100000042594 [0,1,0,0,0,0|3,0,0]=4 9414 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100000042594_100009893172 [0,1,0,0,0,0|3,0,0]=4 9415 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100009893172_100000042594 [0,1,0,0,0,0|3,0,0]=4 9416 B12R0.277 CC(=O)OCCOCC(C)CCN 34a_106354213184_100009814007 [0,1,0,0,0,0|3,0,0]=4 9417 B12R0.277 CC(=O)SCCCCC(=O)CCO 1458a_100011216618_200010402107 [0,1,0,0,0,0|2,0,1]=4 9418 B12R0.277 CC(=O)SCCCCN(C)CCO 2230a_100000210263_200010402107 [0,1,0,0,0,0|3,0,0]=4 9419 B12R0.277 CC(=O)SCCCCN(C)CCO 269982a_100000210263_200010402107 [0,1,0,0,0,0|3,0,0]=4 9420 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 2230a_100000706166_100000038929 [0,1,0,0,0,0|3,0,0]=4 9421 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 34a_100000706166_100000038929 [0,1,0,0,0,0|3,0,0]=4 9422 B12R0.277 CC(=O)SCCCOC(C)CCBr 34a_100012276601_100000038929 [0,1,0,0,0,0|3,0,0]=4 9423 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100000038929_100009893172 [0,1,0,0,0,0|3,0,0]=4 9424 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100009893172_100000038929 [0,1,0,0,0,0|3,0,0]=4 9425 B12R0.277 CC(CCN)COCCCC(=O)N 34a_106354213184_100102525003 [0,1,0,0,0,0|3,0,0]=4 9426 B12R0.277 CC(CCO)NCCCCC(=O)N 34a_100000696515_100009893172 [0,1,0,0,0,0|3,0,0]=4 9427 B12R0.277 CC(CCO)OCCCCC(=O)N 34a_100012022536_100009893172 [0,1,0,0,0,0|3,0,0]=4 9428 B12R0.277 CC(CCO)OCCCCC(=O)N 7a_100012022536_100009893172 [0,1,0,0,0,0|3,0,0]=4 9429 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,1,0,0,0,0|1,0,1]=3 9430 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,1,0,0,0,0|1,0,2]=4 9431 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,1,0,0,0,0|1,0,2]=4 9432 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,1,0,0,0,0|2,0,1]=4 9433 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,1,0,0,0,0|1,0,1]=3 9434 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,1,0,0,0,0|1,0,1]=3 9435 B12R0.277 CCCC(=O)CNCCCS(=O)C 2230a_200000753449_100000747444 [0,1,0,0,0,0|2,0,1]=4 9436 B12R0.277 CCCC(=O)CNCCNC(=O)C 2230a_100000209853_100000747444 [0,1,0,0,0,0|2,0,1]=4 9437 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,1,0,0,0,0|1,0,1]=3 9438 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,1,0,0,0,0|1,0,1]=3 9439 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,1,0,0,0,0|1,0,1]=3 9440 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100000747444_100102525003 [0,1,0,0,0,0|2,0,1]=4 9441 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100102525003_100000747444 [0,1,0,0,0,0|2,0,1]=4 9442 B12R0.277 CCCC(=O)CSCCNC(=O)C 62a_100000189650_100000747444 [0,1,0,0,0,0|2,0,1]=4 9443 B12R0.277 CCCC(=O)CSCCNC(=O)C 62a_100000747444_100000189650 [0,1,0,0,0,0|2,0,1]=4 9444 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100000747444_100009814007 [0,1,0,0,0,0|2,0,1]=4 9445 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100009814007_100000747444 [0,1,0,0,0,0|2,0,1]=4 9446 B12R0.277 CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211992 [0,1,0,0,0,0|2,0,1]=4 9447 B12R0.277 CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211992 [0,1,0,0,0,0|2,0,1]=4 9448 B12R0.277 CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211992 [0,1,0,0,0,0|2,0,1]=4 9449 B12R0.277 CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211992 [0,1,0,0,0,0|2,0,1]=4 9450 B12R0.277 CCCC(=O)NCCCNC(=O)C 11a_100000736810_100000211992 [0,1,0,0,0,0|2,0,1]=4 9451 B12R0.277 CCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000211992 [0,1,0,0,0,0|2,0,1]=4 9452 B12R0.277 CCCC(=O)NCCCNC(=O)C 527a_100000736810_100000211992 [0,1,0,0,0,0|2,0,1]=4 9453 B12R0.277 CCCC(=O)OCOCCC(=O)C 34a_100000759926_100000034017 [0,1,0,0,0,0|2,0,1]=4 9454 B12R0.277 CCCC(=O)OCSCCC(=O)C 62a_100000053229_100000034017 [0,1,0,0,0,0|2,0,1]=4 9455 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,1,0,0,0,0|2,0,0]=3 9456 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,1,0,0,0,0|2,0,0]=3 9457 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,1,0,0,0,0|2,0,0]=3 9458 B12R0.277 CCCC(C)CCCOCC(C)C 34a_100011713154_100000210624 [0,1,0,0,0,0|2,0,1]=4 9459 B12R0.277 CCCC(C)CCCOCC(C)C 7a_100011713154_100000210760 [0,1,0,0,0,0|2,0,1]=4 9460 B12R0.277 CCCC(C)CCCOCC(C)O 34a_100011713154_100011218427 [0,1,0,0,0,0|1,0,2]=4 9461 B12R0.277 CCCC(C)CCCOCC(C)O 7a_100011713154_100011218427 [0,1,0,0,0,0|1,0,2]=4 9462 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 34a_100011713154_100009817552 [0,1,0,0,0,0|1,0,2]=4 9463 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 7a_100011713154_100009817552 [0,1,0,0,0,0|1,0,2]=4 9464 B12R0.277 CCCC(C)CCCOC[N+](=O)[O-] 34a_100011713154_100000761209 [0,1,0,0,0,0|3,0,0]=4 9465 B12R0.277 CCCC(C)CCOCC=C(C)C 34a_100011217855_100000761012 [0,1,0,0,0,0|2,0,1]=4 9466 B12R0.277 CCCC(C)CCOCC=C(C)C 7a_100011217855_100000761012 [0,1,0,0,0,0|2,0,1]=4 9467 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,1,0,0,0,0|1,0,0]=2 9468 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,1,0,0,0,0|2,0,0]=3 9469 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,1,0,0,0,0|2,0,0]=3 9470 B12R0.277 CCCC(C)CCOCCC(C)C 34a_100011217855_100000210312 [0,1,0,0,0,0|2,0,1]=4 9471 B12R0.277 CCCC(C)CCOCCC(C)C 7a_100011217855_100000210626 [0,1,0,0,0,0|2,0,1]=4 9472 B12R0.277 CCCC(C)CCOCCC(C)O 34a_100011217855_100012276601 [0,1,0,0,0,0|1,0,2]=4 9473 B12R0.277 CCCC(C)CCOCCC(C)O 7a_100011217855_100012276601 [0,1,0,0,0,0|1,0,2]=4 9474 B12R0.277 CCCC(C)CCOCCN(C)C 7a_100011217855_100000755713 [0,1,0,0,0,0|3,0,0]=4 9475 B12R0.277 CCCC(C)CCOCOC(=O)C 34a_100011217855_100009813279 [0,1,0,0,0,0|2,0,0]=3 9476 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [0,1,0,0,0,0|2,0,0]=3 9477 B12R0.277 CCCC(C)CNCCCC(C)C 2230a_200000737386_100011216630 [0,1,0,0,0,0|2,0,1]=4 9478 B12R0.277 CCCC(C)CNCCCC(C)C 270004a_200000737386_100000243154 [0,1,0,0,0,0|2,0,1]=4 9479 B12R0.277 CCCC(C)CNCCCC(C)C 34a_200000737386_100011216630 [0,1,0,0,0,0|2,0,1]=4 9480 B12R0.277 CCCC(C)CNCCCN(C)C 270004a_102531767803_100000243154 [0,1,0,0,0,0|3,0,0]=4 9481 B12R0.277 CCCC(C)CNCCCS(=O)C 2230a_200000753449_100011216630 [0,1,0,0,0,0|2,0,0]=3 9482 B12R0.277 CCCC(C)CNCCCS(=O)C 270004a_200000753449_100000243154 [0,1,0,0,0,0|2,0,0]=3 9483 B12R0.277 CCCC(C)CNCCNC(=O)C 2230a_100000209853_100011216630 [0,1,0,0,0,0|2,0,0]=3 9484 B12R0.277 CCCC(C)CNCCNC(=O)N 34a_100020590234_100011216630 [0,1,0,0,0,0|3,0,0]=4 9485 B12R0.277 CCCC(C)COCCC=C(C)C 34a_100000688023_100011217483 [0,1,0,0,0,0|2,0,1]=4 9486 B12R0.277 CCCC(C)COCCC=C(C)C 7a_100000688023_100011217483 [0,1,0,0,0,0|2,0,1]=4 9487 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,1,0,0,0,0|1,0,0]=2 9488 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,1,0,0,0,0|1,0,0]=2 9489 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,1,0,0,0,0|1,0,0]=2 9490 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,1,0,0,0,0|1,0,0]=2 9491 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,1,0,0,0,0|2,0,0]=3 9492 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,1,0,0,0,0|2,0,0]=3 9493 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000210774_100011216630 [0,1,0,0,0,0|2,0,1]=4 9494 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000688023_100011214892 [0,1,0,0,0,0|2,0,1]=4 9495 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000210774_100011216630 [0,1,0,0,0,0|2,0,1]=4 9496 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000688023_100011214892 [0,1,0,0,0,0|2,0,1]=4 9497 B12R0.277 CCCC(C)COCCCC(C)O 34a_100000688023_200000718107 [0,1,0,0,0,0|1,0,2]=4 9498 B12R0.277 CCCC(C)COCCCC(C)O 7a_100000688023_200000718107 [0,1,0,0,0,0|1,0,2]=4 9499 B12R0.277 CCCC(C)COCCCN(C)C 7a_100000688023_100000757444 [0,1,0,0,0,0|3,0,0]=4 9500 B12R0.277 CCCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100011216630 [0,1,0,0,0,0|3,0,0]=4 9501 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,1,0,0,0,0|2,0,0]=3 9502 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,1,0,0,0,0|2,0,0]=3 9503 B12R0.277 CCCC(C)COCCNC(=O)N 34a_100000181757_100011216630 [0,1,0,0,0,0|3,0,0]=4 9504 B12R0.277 CCCC(C)COCCNC(=O)N 7a_100000688023_200000034859 [0,1,0,0,0,0|3,0,0]=4 9505 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,1,0,0,0,0|2,0,0]=3 9506 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,1,0,0,0,0|2,0,0]=3 9507 B12R0.277 CCCC(C)COCCOC(=O)N 34a_100000688023_200011214921 [0,1,0,0,0,0|3,0,0]=4 9508 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000688023_200011214921 [0,1,0,0,0,0|3,0,0]=4 9509 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000766696_100011216630 [0,1,0,0,0,0|3,0,0]=4 9510 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011216630_100011217483 [0,1,0,0,0,0|2,0,1]=4 9511 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011217483_100011216630 [0,1,0,0,0,0|2,0,1]=4 9512 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,1,0,0,0,0|1,0,0]=2 9513 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,1,0,0,0,0|1,0,0]=2 9514 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [0,1,0,0,0,0|2,0,0]=3 9515 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [0,1,0,0,0,0|2,0,0]=3 9516 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011214892_100011216630 [0,1,0,0,0,0|2,0,1]=4 9517 B12R0.277 CCCC(C)CSCCCC(C)C 62a_100011216630_100011214892 [0,1,0,0,0,0|2,0,1]=4 9518 B12R0.277 CCCC(C)CSCCCC(C)O 62a_100011216630_200000718107 [0,1,0,0,0,0|1,0,2]=4 9519 B12R0.277 CCCC(C)CSCCCC(C)O 62a_200000718107_100011216630 [0,1,0,0,0,0|1,0,2]=4 9520 B12R0.277 CCCC(C)CSCCCN(C)C 62a_100011216630_100000757444 [0,1,0,0,0,0|3,0,0]=4 9521 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100000189650_100011216630 [0,1,0,0,0,0|2,0,0]=3 9522 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100011216630_100000189650 [0,1,0,0,0,0|2,0,0]=3 9523 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_100011216630_200000034859 [0,1,0,0,0,0|3,0,0]=4 9524 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_200000034859_100011216630 [0,1,0,0,0,0|3,0,0]=4 9525 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100009814007_100011216630 [0,1,0,0,0,0|2,0,0]=3 9526 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100011216630_100009814007 [0,1,0,0,0,0|2,0,0]=3 9527 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_100011216630_200011214921 [0,1,0,0,0,0|3,0,0]=4 9528 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_200011214921_100011216630 [0,1,0,0,0,0|3,0,0]=4 9529 B12R0.277 CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211909 [0,1,0,0,0,0|2,0,0]=3 9530 B12R0.277 CCCC(C)NCCCCC(=O)N 34a_100000696515_100000766640 [0,1,0,0,0,0|2,0,0]=3 9531 B12R0.277 CCCC(C)NCCCCC(C)C 2230a_100000741246_100011216152 [0,1,0,0,0,0|2,0,1]=4 9532 B12R0.277 CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211909 [0,1,0,0,0,0|2,0,0]=3 9533 B12R0.277 CCCC(C)NCCCNC(=O)C 34a_100000736810_100000766640 [0,1,0,0,0,0|2,0,0]=3 9534 B12R0.277 CCCC(C)NCCCOC(=S)C 2230a_100000741246_200135323944 [0,1,0,0,0,0|2,1,0]=4 9535 B12R0.277 CCCC(C)NCCCSC(=O)C 2230a_100000741246_100000038929 [0,1,0,0,0,0|2,0,0]=3 9536 B12R0.277 CCCC(C)NCCOCC(=O)N 2230a_100000741246_100000076697 [0,1,0,0,0,0|3,0,0]=4 9537 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,1,0,0,0,0|3,0,0]=4 9538 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,1,0,0,0,0|1,0,0]=2 9539 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,1,0,0,0,0|1,0,0]=2 9540 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [0,1,0,0,0,0|2,0,0]=3 9541 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [0,1,0,0,0,0|2,0,0]=3 9542 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100000764384_100011216152 [0,1,0,0,0,0|2,0,1]=4 9543 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100011214890_100000766640 [0,1,0,0,0,0|2,0,1]=4 9544 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100000764384_100011216152 [0,1,0,0,0,0|2,0,1]=4 9545 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100011214890_100000766640 [0,1,0,0,0,0|2,0,1]=4 9546 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000766640 [0,1,0,0,0,0|3,0,0]=4 9547 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000766640 [0,1,0,0,0,0|3,0,0]=4 9548 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,1,0,0,0,0|2,0,0]=3 9549 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,1,0,0,0,0|2,0,0]=3 9550 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,1,0,0,0,0|2,0,0]=3 9551 B12R0.277 CCCC(C)OCCCOC(=S)C 34a_100000764384_200135323944 [0,1,0,0,0,0|2,1,0]=4 9552 B12R0.277 CCCC(C)OCCCOC(=S)C 7a_100000764384_200135323944 [0,1,0,0,0,0|2,1,0]=4 9553 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,1,0,0,0,0|2,0,0]=3 9554 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,1,0,0,0,0|2,0,0]=3 9555 B12R0.277 CCCC(C)OCCOCC(=O)N 34a_100000764384_100000076697 [0,1,0,0,0,0|3,0,0]=4 9556 B12R0.277 CCCC(C)OCCOCC(=O)N 7a_100000764384_100000076697 [0,1,0,0,0,0|3,0,0]=4 9557 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,1,0,0,0,0|1,0,0]=2 9558 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,1,0,0,0,0|1,0,0]=2 9559 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100000766640_100011216152 [0,1,0,0,0,0|2,0,1]=4 9560 B12R0.277 CCCC(C)SCCCCC(C)C 62a_100011216152_100000766640 [0,1,0,0,0,0|2,0,1]=4 9561 B12R0.277 CCCC(C)SCCCCN(C)C 62a_100000766640_100000690147 [0,1,0,0,0,0|3,0,0]=4 9562 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000042594_100000766640 [0,1,0,0,0,0|2,0,0]=3 9563 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000766640_100000042594 [0,1,0,0,0,0|2,0,0]=3 9564 B12R0.277 CCCC(C)SCCCOC(=S)C 62a_100000766640_200135323944 [0,1,0,0,0,0|2,1,0]=4 9565 B12R0.277 CCCC(C)SCCCOC(=S)C 62a_200135323944_100000766640 [0,1,0,0,0,0|2,1,0]=4 9566 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000038929_100000766640 [0,1,0,0,0,0|2,0,0]=3 9567 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000766640_100000038929 [0,1,0,0,0,0|2,0,0]=3 9568 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000076697_100000766640 [0,1,0,0,0,0|3,0,0]=4 9569 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000766640_100000076697 [0,1,0,0,0,0|3,0,0]=4 9570 B12R0.277 CCCN(C)CCCCCC(=O)N 2230a_100000747261_100009817443 [0,1,0,0,0,0|2,0,0]=3 9571 B12R0.277 CCCN(C)CCCCCC(=O)N 269982a_100000747261_100009817443 [0,1,0,0,0,0|2,0,0]=3 9572 B12R0.277 CCCN(C)CCCCCC(C)C 2230a_100000747261_100000210682 [0,1,0,0,0,0|2,0,1]=4 9573 B12R0.277 CCCN(C)CCCCCC(C)C 269982a_100000747261_100000210682 [0,1,0,0,0,0|2,0,1]=4 9574 B12R0.277 CCCN(C)CCCCOC(=O)C 269982a_100000747261_100000033659 [0,1,0,0,0,0|2,0,0]=3 9575 B12R0.277 CCCN(C)CCCCSC(=O)C 2230a_100000747261_200010402107 [0,1,0,0,0,0|2,0,0]=3 9576 B12R0.277 CCCN(C)CCCCSC(=O)C 269982a_100000747261_200010402107 [0,1,0,0,0,0|2,0,0]=3 9577 B12R0.277 CCCN(C)COCCOC(=O)C 269982a_100000747261_100000076355 [0,1,0,0,0,0|3,0,0]=4 9578 B12R0.277 CCC[C@H](N)CCOCC=C(C)C 34a_100015193777_100000761012 [0,1,0,0,0,0|2,0,1]=4 9579 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,1,0,0,0,0|2,0,0]=3 9580 B12R0.277 CCC[C@H](N)CCOCCC(C)C 34a_100015193777_100000210312 [0,1,0,0,0,0|2,0,1]=4 9581 B12R0.277 CCC[C@H](N)CCOCCC(C)O 34a_100015193777_100012276601 [0,1,0,0,0,0|1,0,2]=4 9582 B12R0.277 CCC[C@H](N)CCOCOC(=O)C 34a_100015193777_100009813279 [0,1,0,0,0,0|2,0,0]=3 9583 B12R0.277 CCC[C@H](N)COCCC=C(C)C 34a_100000732646_100011217483 [0,1,0,0,0,0|2,0,1]=4 9584 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,1,0,0,0,0|1,0,0]=2 9585 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,1,0,0,0,0|2,0,0]=3 9586 B12R0.277 CCC[C@H](N)COCCCC(C)C 34a_100000732646_100011214892 [0,1,0,0,0,0|2,0,1]=4 9587 B12R0.277 CCC[C@H](N)COCCCC(C)O 34a_100000732646_200000718107 [0,1,0,0,0,0|1,0,2]=4 9588 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,1,0,0,0,0|2,0,0]=3 9589 B12R0.277 CCC[C@H](N)COCCOC(=O)N 34a_100000732646_200011214921 [0,1,0,0,0,0|3,0,0]=4 9590 B12R0.277 CCNC(=O)CCOCCC(=O)C 7a_100000759926_100000737597 [0,1,0,0,0,0|2,0,1]=4 9591 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000053229_100000737597 [0,1,0,0,0,0|2,0,1]=4 9592 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000737597_100000053229 [0,1,0,0,0,0|2,0,1]=4 9593 B12R0.277 CCNC(=O)COCCCC(=O)C 34a_100000759063_100000183381 [0,1,0,0,0,0|2,0,1]=4 9594 B12R0.277 CCNC(=O)COCCCC(=O)C 7a_100000759063_100000183381 [0,1,0,0,0,0|2,0,1]=4 9595 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100000183381_100011215641 [0,1,0,0,0,0|2,0,1]=4 9596 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100011215641_100000183381 [0,1,0,0,0,0|2,0,1]=4 9597 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,1,0,0,0,0|1,0,1]=3 9598 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,1,0,0,0,0|1,0,1]=3 9599 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,1,0,0,0,0|1,0,1]=3 9600 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,1,0,0,0,0|2,0,1]=4 9601 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [0,1,0,0,0,0|2,0,1]=4 9602 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [0,1,0,0,0,0|2,0,1]=4 9603 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [0,1,0,0,0,0|2,0,1]=4 9604 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [0,1,0,0,0,0|2,0,1]=4 9605 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [0,1,0,0,0,0|2,0,1]=4 9606 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,1,0,0,0,0|2,0,1]=4 9607 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,1,0,0,0,0|2,0,1]=4 9608 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,1,0,0,0,0|2,0,1]=4 9609 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [0,1,0,0,0,0|2,0,1]=4 9610 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [0,1,0,0,0,0|2,0,1]=4 9611 B12R0.277 CN(CCO)CCCCCC(=O)N 2230a_100000210263_100009817443 [0,1,0,0,0,0|3,0,0]=4 9612 B12R0.277 CN(CCO)CCCCCC(=O)N 269982a_100000210263_100009817443 [0,1,0,0,0,0|3,0,0]=4 9613 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,1,0,0,0,0|2,0,1]=4 9614 B12R0.277 COCC(=O)CCCCOC(=O)C 1458a_100000210968_100000033659 [0,1,0,0,0,0|2,0,1]=4 9615 B12R0.277 COCC(=O)CCCCSC(=O)C 1458a_100000210968_200010402107 [0,1,0,0,0,0|2,0,1]=4 9616 B12R0.277 COCC(C)NCCCCC(=O)N 270004a_100000696515_100000749346 [0,1,0,0,0,0|3,0,0]=4 9617 B12R0.277 COCC(C)NCCCCC(=O)N 34a_100000696515_100000765312 [0,1,0,0,0,0|3,0,0]=4 9618 B12R0.277 COCC(C)NCCCNC(=O)C 270004a_100000736810_100000749346 [0,1,0,0,0,0|3,0,0]=4 9619 B12R0.277 COCC(C)NCCCNC(=O)C 34a_100000736810_100000765312 [0,1,0,0,0,0|3,0,0]=4 9620 B12R0.277 COCC(C)OCCCCC(=O)N 34a_100012022536_100000765312 [0,1,0,0,0,0|3,0,0]=4 9621 B12R0.277 COCC(C)OCCCCC(=O)N 7a_100012022536_100000765312 [0,1,0,0,0,0|3,0,0]=4 9622 B12R0.277 COCC(C)OCCCNC(=O)C 34a_100000752032_100000765312 [0,1,0,0,0,0|3,0,0]=4 9623 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000735457_100000765312 [0,1,0,0,0,0|2,0,0]=3 9624 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000765312_100000735457 [0,1,0,0,0,0|2,0,0]=3 9625 B12R0.277 COCC(C)SCCCOC(=O)C 62a_100000042594_100000765312 [0,1,0,0,0,0|3,0,0]=4 9626 B12R0.277 COCC(C)SCCCOC(=O)C 62a_100000765312_100000042594 [0,1,0,0,0,0|3,0,0]=4 9627 B12R0.277 COCC(C)SCCCSC(=O)C 62a_100000038929_100000765312 [0,1,0,0,0,0|3,0,0]=4 9628 B12R0.277 COCC(C)SCCCSC(=O)C 62a_100000765312_100000038929 [0,1,0,0,0,0|3,0,0]=4 9629 B12R0.277 COCC(N)COCCCC(=O)C 34a_100000724102_100000685027 [0,1,0,0,0,0|2,0,0]=3 9630 B12R0.277 COCC(N)COCCCC(=O)N 34a_100000724102_100102525003 [0,1,0,0,0,0|3,0,0]=4 9631 B12R0.277 COCC(N)COCCOC(=O)C 34a_100000724102_100009814007 [0,1,0,0,0,0|3,0,0]=4 9632 B12R0.277 COCC(O)CNCCCC(=O)C 34a_100000756049_100000685027 [0,1,0,0,0,0|2,0,0]=3 9633 B12R0.277 COCC(O)CNCCCC(=O)N 34a_100000739312_100011215053 [0,1,0,0,0,0|3,0,0]=4 9634 B12R0.277 COCC(O)CNCCCC(=O)N 34a_100000756049_100102525003 [0,1,0,0,0,0|3,0,0]=4 9635 B12R0.277 COCC(O)CNCCNC(=O)C 2230a_100000756049_100000189650 [0,1,0,0,0,0|3,0,0]=4 9636 B12R0.277 COCC(O)CNCCOC(=O)C 34a_100000756049_100009814007 [0,1,0,0,0,0|3,0,0]=4 9637 B12R0.277 COCC(O)COCCCC(=O)C 34a_100000759063_100011215053 [0,1,0,0,0,0|2,0,0]=3 9638 B12R0.277 COCC(O)COCCCC(=O)C 7a_100000759063_100011215053 [0,1,0,0,0,0|2,0,0]=3 9639 B12R0.277 COCC(O)COCCNC(=O)C 34a_100000158858_100011215053 [0,1,0,0,0,0|3,0,0]=4 9640 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215053_100011215641 [0,1,0,0,0,0|2,0,0]=3 9641 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215641_100011215053 [0,1,0,0,0,0|2,0,0]=3 9642 B12R0.277 COCC(O)CSCCCC(=O)N 62a_100011215053_100102525003 [0,1,0,0,0,0|3,0,0]=4 9643 B12R0.277 COCC(O)CSCCCC(=O)N 62a_100102525003_100011215053 [0,1,0,0,0,0|3,0,0]=4 9644 B12R0.277 COCC(O)CSCCNC(=O)C 62a_100000189650_100011215053 [0,1,0,0,0,0|3,0,0]=4 9645 B12R0.277 COCC(O)CSCCNC(=O)C 62a_100011215053_100000189650 [0,1,0,0,0,0|3,0,0]=4 9646 B12R0.277 COCC(O)CSCCOC(=O)C 62a_100009814007_100011215053 [0,1,0,0,0,0|3,0,0]=4 9647 B12R0.277 COCC(O)CSCCOC(=O)C 62a_100011215053_100009814007 [0,1,0,0,0,0|3,0,0]=4 9648 B12R0.277 COC[C@@H](C)NCCCSC(=O)C 2230a_100000764878_100000038929 [0,1,0,0,0,0|3,0,0]=4 9649 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 34a_100011934205_100009817362 [0,1,0,0,0,0|2,0,0]=3 9650 B12R0.277 COC[C@@H](C)OCCCOC(=O)C 34a_100011934205_100000042594 [0,1,0,0,0,0|3,0,0]=4 9651 B12R0.277 COC[C@@H](C)OCCCSC(=O)C 34a_100011934205_100000038929 [0,1,0,0,0,0|3,0,0]=4 9652 B12R0.277 CSCC(=O)CCCCCC(=O)N 1458a_100000184570_100009817443 [0,1,0,0,0,0|2,0,1]=4 9653 B12R0.277 CSCC(=O)CCCCOC(=O)C 1458a_100000184570_100000033659 [0,1,0,0,0,0|2,0,1]=4 9654 B12R0.277 CSCC(=O)CCCCSC(=O)C 1458a_100000184570_200010402107 [0,1,0,0,0,0|2,0,1]=4 9655 B12R0.277 CSCC(C)NCCCCC(=O)N 270004a_100000696515_100011216314 [0,1,0,0,0,0|3,0,0]=4 9656 B12R0.277 CSCC(C)NCCCNC(=O)C 270004a_100000736810_100011216314 [0,1,0,0,0,0|3,0,0]=4 9657 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [0,1,0,0,0,0|2,0,1]=4 9658 B12R1.7 C#CCCCOC1CCC(=O)C1 34a_100012614533_100000695029 [0,0,0,1,0,0|1,0,2]=4 9659 B12R1.7 C=CCCCOC1CCC(=O)C1 34a_100012614533_100000757094 [0,0,0,1,0,0|1,0,2]=4 9660 B12R1.7 CC/C=C\COC1CCC(=O)C1 34a_100012614533_100103147603 [0,0,0,1,0,0|1,0,2]=4 9661 B12R1.7 CCC#CCOC1CCC(=O)C1 34a_100012614533_100009813939 [0,0,0,1,0,0|1,0,2]=4 9662 B12R1.7 CCCCCCN1CCC(C1)O 2230a_100011215560_100000210314 [0,0,0,1,0,0|1,0,2]=4 9663 B12R1.7 CCCCCCN1CCC(C1)O 269982a_100011215560_100000210757 [0,0,0,1,0,0|1,0,2]=4 9664 B12R1.7 CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210314 [0,0,0,1,0,0|2,0,1]=4 9665 B12R1.7 CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210757 [0,0,0,1,0,0|2,0,1]=4 9666 B12R1.7 CCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000210314 [0,0,0,1,0,0|2,0,1]=4 9667 B12R1.7 CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210314 [0,0,0,1,0,0|2,0,1]=4 9668 B12R1.7 CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210757 [0,0,0,1,0,0|2,0,1]=4 9669 B12R1.7 CCCCCCN1CC[C@H](C1)C 34a_100016987628_100000210314 [0,0,0,1,0,0|2,0,1]=4 9670 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,0,0,1,0,0|2,0,0]=3 9671 B12R1.7 CCCCCNC1CCC(C1)C 270004a_100000209983_100011215218 [0,0,0,1,0,0|2,0,1]=4 9672 B12R1.7 CCCCCNC1CCC(C1)O 270004a_100000209983_100012614533 [0,0,0,1,0,0|1,0,2]=4 9673 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,0,0,1,0,0|2,0,0]=3 9674 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210326 [0,0,0,1,0,0|1,0,2]=4 9675 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,0,0,1,0,0|1,0,0]=2 9676 B12R1.7 CCCCCOC1CCC(C1)C 34a_100000698185_100000718602 [0,0,0,1,0,0|2,0,1]=4 9677 B12R1.7 CCCCCOC1CCN(C1)C 7a_100000210253_200012183744 [0,0,0,1,0,0|3,0,0]=4 9678 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,0,0,1,0,0|2,0,0]=3 9679 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,0,0,1,0,0|3,0,0]=4 9680 B12R1.7 CCCCCSC1CCN(C1)C 62a_100000210326_200012183744 [0,0,0,1,0,0|3,0,0]=4 9681 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,0,0,1,0,0|3,0,0]=4 9682 B12R1.7 CCCCNCC1CCN(C1)C 7a_106832991798_200000690779 [0,0,0,1,0,0|3,0,0]=4 9683 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,0,0,1,0,0|2,0,0]=3 9684 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,0,0,1,0,0|2,0,0]=3 9685 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,0,0,1,0,0|3,0,0]=4 9686 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,0,0,1,0,0|3,0,0]=4 9687 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,0,0,1,0,0|2,0,0]=3 9688 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,0,0,1,0,0|2,0,0]=3 9689 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,0,0,1,0,0|2,0,0]=3 9690 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,0,0,1,0,0|2,0,0]=3 9691 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,0,0,1,0,0|3,0,0]=4 9692 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,0,0,1,0,0|3,0,0]=4 9693 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,0,0,1,0,0|2,0,0]=3 9694 B12R1.7 CCCCOCC1CCN(C1)C 34a_100000210227_200000690779 [0,0,0,1,0,0|3,0,0]=4 9695 B12R1.7 CCCCOCC1CCN(C1)C 7a_100000210227_200000690779 [0,0,0,1,0,0|3,0,0]=4 9696 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,0,0,1,0,0|2,0,0]=3 9697 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,0,0,1,0,0|3,0,0]=4 9698 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,0,0,1,0,0|3,0,0]=4 9699 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,0,0,1,0,0|3,0,0]=4 9700 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,0,0,1,0,0|3,0,0]=4 9701 B12R1.7 CCCCOCN1CNC(=O)C1 2230a_200000708111_100011995733 [0,0,0,1,0,0|3,0,0]=4 9702 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,0,0,1,0,0|2,0,0]=3 9703 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,0,0,1,0,0|3,0,0]=4 9704 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,0,0,1,0,0|3,0,0]=4 9705 B12R1.7 CCCCSCC1CCN(C1)C 62a_100000210211_200000690779 [0,0,0,1,0,0|3,0,0]=4 9706 B12R1.7 CCCCSCC1CCN(C1)C 62a_200000690779_100000210210 [0,0,0,1,0,0|3,0,0]=4 9707 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,0,0,1,0,0|3,0,0]=4 9708 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,0,0,1,0,0|3,0,0]=4 9709 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,0,0,1,0,0|3,0,0]=4 9710 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,0,0,1,0,0|3,0,0]=4 9711 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,0,0,1,0,0|2,0,0]=3 9712 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,0,0,1,0,0|2,0,0]=3 9713 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,0,0,1,0,0|3,0,0]=4 9714 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,0,0,1,0,0|3,0,0]=4 9715 B12R1.7 CCCOCCN1CNC(=O)C1 2230a_200000708111_100011215938 [0,0,0,1,0,0|3,0,0]=4 9716 B12R1.7 CCOCCCN1CNC(=O)C1 2230a_200000708111_100012232248 [0,0,0,1,0,0|3,0,0]=4 9717 B12R1.7 CCOCCNC1CNC(=O)C1 2230a_100000697751_100011215890 [0,0,0,1,0,0|3,0,0]=4 9718 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,0,0,1,0,0|2,0,0]=3 9719 B12R1.7 CCOCCOC1CNC(=O)C1 34a_100000690082_100000210147 [0,0,0,1,0,0|3,0,0]=4 9720 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [0,0,0,1,0,0|3,0,0]=4 9721 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [0,0,0,1,0,0|3,0,0]=4 9722 B12R1.7 CCSCCNC1CNC(=O)C1 2230a_100000697751_100000757381 [0,0,0,1,0,0|3,0,0]=4 9723 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,0,0,1,0,0|2,0,0]=3 9724 B12R1.7 CCSCCOC1CNC(=O)C1 34a_100000690082_100000757381 [0,0,0,1,0,0|3,0,0]=4 9725 B12R1.7 COCCCCN1CNC(=O)C1 2230a_200000708111_100000730899 [0,0,0,1,0,0|3,0,0]=4 9726 B12R1.7 COCCCNC1CNC(=O)C1 2230a_100000697751_100000740836 [0,0,0,1,0,0|3,0,0]=4 9727 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,0,0,1,0,0|2,0,0]=3 9728 B12R1.7 COCCCOC1CNC(=O)C1 34a_100000690082_100000740836 [0,0,0,1,0,0|3,0,0]=4 9729 B12R1.7 COCCNCC1CNC(=O)C1 2230a_100016993742_100011201679 [0,0,0,1,0,0|3,0,0]=4 9730 B12R1.7 COCCNCC1CNC(=O)C1 34a_100016993742_100011201679 [0,0,0,1,0,0|3,0,0]=4 9731 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [0,0,0,1,0,0|3,0,0]=4 9732 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [0,0,0,1,0,0|3,0,0]=4 9733 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [0,0,0,1,0,0|3,0,0]=4 9734 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [0,0,0,1,0,0|3,0,0]=4 9735 B12R1.7 COCCOCC1CNC(=O)C1 34a_100016041077_100011201679 [0,0,0,1,0,0|3,0,0]=4 9736 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [0,0,0,1,0,0|3,0,0]=4 9737 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [0,0,0,1,0,0|3,0,0]=4 9738 B12R1.7 CSCCNCC1CNC(=O)C1 2230a_100016993742_100000751147 [0,0,0,1,0,0|3,0,0]=4 9739 B12R1.7 CSCCNCC1CNC(=O)C1 34a_100016993742_100000212216 [0,0,0,1,0,0|3,0,0]=4 9740 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [0,0,0,1,0,0|3,0,0]=4 9741 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [0,0,0,1,0,0|3,0,0]=4 9742 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [0,0,0,1,0,0|3,0,0]=4 9743 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [0,0,0,1,0,0|3,0,0]=4 9744 B12R1.7 CSCCOCC1CNC(=O)C1 34a_100016041077_100000212216 [0,0,0,1,0,0|3,0,0]=4 9745 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [0,0,0,1,0,0|3,0,0]=4 9746 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [0,0,0,1,0,0|3,0,0]=4 9747 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [0,0,0,1,0,0|3,0,0]=4 9748 B12R1.7 O=C1CC(CN1)CNCCCF 2230a_100016993742_100011934791 [0,0,0,1,0,0|3,0,0]=4 9749 B12R1.7 O=C1CC(CN1)CNCCCF 34a_100016993742_100011934791 [0,0,0,1,0,0|3,0,0]=4 9750 B12R1.7 O=C1CC(CN1)CNCCCO 2230a_100016993742_100000230001 [0,0,0,1,0,0|3,0,0]=4 9751 B12R1.7 O=C1CC(CN1)CNCCCO 34a_100016993742_100000230001 [0,0,0,1,0,0|3,0,0]=4 9752 B12R1.7 O=C1CC(CN1)COCCCF 34a_100016041077_100011934791 [0,0,0,1,0,0|3,0,0]=4 9753 B12R1.7 O=C1CC(CN1)COCCCO 34a_100016041077_100000230001 [0,0,0,1,0,0|3,0,0]=4 9754 B12R1.7 O=C1CC(CN1)NCCCCF 2230a_100000697751_100000729493 [0,0,0,1,0,0|3,0,0]=4 9755 B12R1.7 O=C1CC(CN1)NCCCCO 2230a_100000697751_100000210776 [0,0,0,1,0,0|3,0,0]=4 9756 B12R1.7 O=C1CC(CN1)OCCCCF 34a_100000690082_100000729493 [0,0,0,1,0,0|3,0,0]=4 9757 B12R1.7 O=C1CC(CN1)OCCCCO 34a_100000690082_100011216708 [0,0,0,1,0,0|3,0,0]=4 9758 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,0,0,1,0,0|2,0,0]=3 9759 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,0,0,1,0,0|2,0,0]=3 9760 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [0,0,0,1,0,0|3,0,0]=4 9761 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [0,0,0,1,0,0|3,0,0]=4 9762 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [0,0,0,1,0,0|3,0,0]=4 9763 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [0,0,0,1,0,0|3,0,0]=4 9764 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [0,0,0,1,0,0|3,0,0]=4 9765 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [0,0,0,1,0,0|3,0,0]=4 9766 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [0,0,0,1,0,0|3,0,0]=4 9767 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [0,0,0,1,0,0|3,0,0]=4 9768 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [0,0,0,1,0,0|3,0,0]=4 9769 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [0,0,0,1,0,0|3,0,0]=4 9770 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [0,0,0,1,0,0|3,0,0]=4 9771 B12R1.7 O=C1CN(CN1)CCCCCF 2230a_200000708111_100000729378 [0,0,0,1,0,0|3,0,0]=4 9772 B12R1.7 O=C1CN(CN1)CCCCCO 2230a_200000708111_100000746330 [0,0,0,1,0,0|3,0,0]=4 9773 B12R1.28 C#CCCOC1CCCC(=O)C1 34a_100012613340_100000688953 [0,0,0,1,0,0|1,0,2]=4 9774 B12R1.28 C/C=C/COC1CCCC(=O)C1 34a_100012613340_100102629194 [0,0,0,1,0,0|1,0,2]=4 9775 B12R1.28 C=CCCOC1CCCC(=O)C1 34a_100012613340_100000754431 [0,0,0,1,0,0|1,0,2]=4 9776 B12R1.28 CC#CCOC1CCCC(=O)C1 34a_100012613340_100000748600 [0,0,0,1,0,0|1,0,2]=4 9777 B12R1.28 CC1=CC(CCC1)OCCCF 34a_100011218613_100011934791 [0,0,0,1,0,0|3,0,0]=4 9778 B12R1.28 CC1=CC(CCC1)OCCCO 34a_100011218613_100000230001 [0,0,0,1,0,0|3,0,0]=4 9779 B12R1.28 CC=CCOC1CCCC(=O)C1 34a_100012613340_100000070051 [0,0,0,1,0,0|1,0,2]=4 9780 B12R1.28 CCCCCN1CCC=C(C1)C 2230a_100000725631_100000210326 [0,0,0,1,0,0|2,0,1]=4 9781 B12R1.28 CCCCCN1CCC=C(C1)C 269982a_100000725631_100000210215 [0,0,0,1,0,0|2,0,1]=4 9782 B12R1.28 CCCCCN1CCC=C(C1)C 34a_100000725631_100000718602 [0,0,0,1,0,0|2,0,1]=4 9783 B12R1.28 CCCCCN1CCCC(C1)F 2230a_100000697950_100000210326 [0,0,0,1,0,0|2,0,1]=4 9784 B12R1.28 CCCCCN1CCCC(C1)F 269982a_100000697950_100000210215 [0,0,0,1,0,0|2,0,1]=4 9785 B12R1.28 CCCCCN1CCCC(C1)F 34a_100000697950_100000718602 [0,0,0,1,0,0|2,0,1]=4 9786 B12R1.28 CCCCCN1CCCC(C1)O 2230a_100000211013_100000210326 [0,0,0,1,0,0|1,0,2]=4 9787 B12R1.28 CCCCCN1CCCC(C1)O 269982a_100000211013_100000210215 [0,0,0,1,0,0|1,0,2]=4 9788 B12R1.28 CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210326 [0,0,0,1,0,0|2,0,1]=4 9789 B12R1.28 CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210215 [0,0,0,1,0,0|2,0,1]=4 9790 B12R1.28 CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000718602 [0,0,0,1,0,0|2,0,1]=4 9791 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,0,0,1,0,0|2,0,0]=3 9792 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,0,0,1,0,0|2,0,0]=3 9793 B12R1.28 CCCCNC1CCCC(C1)C 2230a_100011194320_100000210211 [0,0,0,1,0,0|2,0,1]=4 9794 B12R1.28 CCCCNC1CCCC(C1)C 270004a_100000102301_100000183594 [0,0,0,1,0,0|2,0,1]=4 9795 B12R1.28 CCCCNC1CCCC(C1)C 34a_100011194320_100000210210 [0,0,0,1,0,0|2,0,1]=4 9796 B12R1.28 CCCCNC1CCCC(C1)O 2230a_100015190357_100000210211 [0,0,0,1,0,0|1,0,2]=4 9797 B12R1.28 CCCCNC1CCCC(C1)O 270004a_100000102301_100012613340 [0,0,0,1,0,0|1,0,2]=4 9798 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,0,0,1,0,0|2,0,0]=3 9799 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,0,0,1,0,0|2,0,0]=3 9800 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,0,0,1,0,0|2,0,0]=3 9801 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,0,0,1,0,0|1,0,0]=2 9802 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [0,0,0,1,0,0|2,0,1]=4 9803 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,0,0,1,0,0|2,0,0]=3 9804 B12R1.28 CCCNCC1CCCC(C1)O 2230a_100011254705_100000210303 [0,0,0,1,0,0|1,0,2]=4 9805 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,0,0,1,0,0|2,0,0]=3 9806 B12R1.28 CCCOCC1CCCN(C1)C 34a_100000210258_100015183302 [0,0,0,1,0,0|3,0,0]=4 9807 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,0,0,1,0,0|2,0,0]=3 9808 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,0,0,1,0,0|3,0,0]=4 9809 B12R1.28 CCCSCC1CCCN(C1)C 62a_100000210303_100000752043 [0,0,0,1,0,0|3,0,0]=4 9810 B12R1.28 CCCSCC1CCCN(C1)C 62a_100000752043_100000210303 [0,0,0,1,0,0|3,0,0]=4 9811 B12R1.28 CCOCCN1CCNC(=O)C1 2230a_100000184651_100011215890 [0,0,0,1,0,0|3,0,0]=4 9812 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,0,0,1,0,0|3,0,0]=4 9813 B12R1.28 CCSCCN1CCNC(=O)C1 2230a_100000184651_100000757381 [0,0,0,1,0,0|3,0,0]=4 9814 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,0,0,1,0,0|3,0,0]=4 9815 B12R1.28 CNCCCN1CCNC(=O)C1 2230a_100000757908_200000210301 [0,0,0,1,0,0|3,0,0]=4 9816 B12R1.28 COCCCC1CCCN(C1)C 2230a_200011934583_200000210301 [0,0,0,1,0,0|3,0,0]=4 9817 B12R1.28 COCCCC1CCCN(C1)C 269982a_200011934583_200000210301 [0,0,0,1,0,0|3,0,0]=4 9818 B12R1.28 COCCCC1CCCN(C1)C 34a_200011934583_200000210301 [0,0,0,1,0,0|3,0,0]=4 9819 B12R1.28 COCCCC1CCCN(C1)[13CH3] 2230a_200011934583_200025704644 [0,0,0,1,0,0|3,0,0]=4 9820 B12R1.28 COCCCC1CCCN(C1)[13CH3] 269982a_200011934583_200025704644 [0,0,0,1,0,0|3,0,0]=4 9821 B12R1.28 COCCCC1CCCN(C1)[13CH3] 34a_200011934583_200025704644 [0,0,0,1,0,0|3,0,0]=4 9822 B12R1.28 COCCCN1CCNC(=O)C1 2230a_100000184651_100000740836 [0,0,0,1,0,0|3,0,0]=4 9823 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,0,0,1,0,0|3,0,0]=4 9824 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,0,0,1,0,0|3,0,0]=4 9825 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,0,0,1,0,0|3,0,0]=4 9826 B12R1.28 COCCOC1C=C(CCC1)C 34a_100011218613_100011201679 [0,0,0,1,0,0|3,0,0]=4 9827 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,0,0,1,0,0|2,0,0]=3 9828 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,0,0,1,0,0|3,0,0]=4 9829 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,0,0,1,0,0|3,0,0]=4 9830 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,0,0,1,0,0|3,0,0]=4 9831 B12R1.28 CSCCOC1C=C(CCC1)C 34a_100011218613_100000212216 [0,0,0,1,0,0|3,0,0]=4 9832 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,0,0,1,0,0|2,0,0]=3 9833 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,0,0,1,0,0|3,0,0]=4 9834 B12R1.28 CSCOCC1CCCC(=O)N1 34a_200000102386_100011218213 [0,0,0,1,0,0|3,0,0]=4 9835 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,0,0,1,0,0|3,0,0]=4 9836 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,0,0,1,0,0|3,0,0]=4 9837 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,0,0,1,0,0|3,0,0]=4 9838 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,0,0,1,0,0|3,0,0]=4 9839 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,0,0,1,0,0|3,0,0]=4 9840 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,0,0,1,0,0|3,0,0]=4 9841 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,0,0,1,0,0|3,0,0]=4 9842 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,0,0,1,0,0|2,0,0]=3 9843 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,0,0,1,0,0|2,0,0]=3 9844 B12R1.28 O=C1CCCC(N1)COCCF 34a_200000102386_100011217306 [0,0,0,1,0,0|3,0,0]=4 9845 B12R1.28 O=C1CCCC(N1)COCCO 34a_200000102386_100000211926 [0,0,0,1,0,0|3,0,0]=4 9846 B12R1.28 O=C1CN(CCN1)CCCCF 2230a_100000184651_100000729493 [0,0,0,1,0,0|3,0,0]=4 9847 B12R1.28 O=C1CN(CCN1)CCCCO 2230a_100000184651_100000210776 [0,0,0,1,0,0|3,0,0]=4 9848 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,0,0,1,0,0|3,0,0]=4 9849 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,0,0,1,0,0|3,0,0]=4 9850 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,0,0,1,0,0|3,0,0]=4 9851 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,0,0,1,0,0|3,0,0]=4 9852 B12R1.28 [13CH3]NCCCN1CCNC(=O)C1 2230a_100000757908_200025704644 [0,0,0,1,0,0|3,0,0]=4 9853 B12R1.62 C#CCCCCSC1CC(=O)C1 62a_100009894365_100010269958 [0,0,0,1,0,0|1,0,2]=4 9854 B12R1.62 C#CCCCOCC1CC(=O)C1 34a_100000101936_100000695029 [0,0,0,1,0,0|1,0,2]=4 9855 B12R1.62 C#CCCCOCC1CC(=O)C1 7a_100000215630_100009874392 [0,0,0,1,0,0|1,0,2]=4 9856 B12R1.62 C#CCCCSCC1CC(=O)C1 62a_100009874392_100011215417 [0,0,0,1,0,0|1,0,2]=4 9857 B12R1.62 C#CCCCSCC1CC(=O)C1 62a_100011215417_100009874392 [0,0,0,1,0,0|1,0,2]=4 9858 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,0,0,1,0,0|2,0,0]=3 9859 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,0,0,1,0,0|2,0,0]=3 9860 B12R1.62 C=C1CC(C1)CNCCCCF 2230a_100102567296_100000729493 [0,0,0,1,0,0|3,0,0]=4 9861 B12R1.62 C=C1CC(C1)CNCCCCF 34a_100102567296_100000729493 [0,0,0,1,0,0|3,0,0]=4 9862 B12R1.62 C=C1CC(C1)CNCCCCO 2230a_100102567296_100000210776 [0,0,0,1,0,0|3,0,0]=4 9863 B12R1.62 C=C1CC(C1)CNCCCCO 34a_100102567296_100011216708 [0,0,0,1,0,0|3,0,0]=4 9864 B12R1.62 C=C1CC(C1)CNCCCOC 2230a_100102567296_100000740836 [0,0,0,1,0,0|3,0,0]=4 9865 B12R1.62 C=C1CC(C1)CNCCCOC 34a_100102567296_100000740836 [0,0,0,1,0,0|3,0,0]=4 9866 B12R1.62 C=C1CC(C1)CNCCOCC 2230a_100102567296_100011215890 [0,0,0,1,0,0|3,0,0]=4 9867 B12R1.62 C=C1CC(C1)CNCCOCC 34a_100102567296_100000210147 [0,0,0,1,0,0|3,0,0]=4 9868 B12R1.62 C=C1CC(C1)CNCCSCC 2230a_100102567296_100000757381 [0,0,0,1,0,0|3,0,0]=4 9869 B12R1.62 C=C1CC(C1)CNCCSCC 34a_100102567296_100000757381 [0,0,0,1,0,0|3,0,0]=4 9870 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,0,0,1,0,0|2,0,0]=3 9871 B12R1.62 C=C1CC(C1)COCCCCF 34a_100011011225_100000729493 [0,0,0,1,0,0|3,0,0]=4 9872 B12R1.62 C=C1CC(C1)COCCCCO 34a_100011011225_100011216708 [0,0,0,1,0,0|3,0,0]=4 9873 B12R1.62 C=C1CC(C1)COCCCOC 34a_100011011225_100000740836 [0,0,0,1,0,0|3,0,0]=4 9874 B12R1.62 C=C1CC(C1)COCCOCC 34a_100011011225_100000210147 [0,0,0,1,0,0|3,0,0]=4 9875 B12R1.62 C=C1CC(C1)COCCSCC 34a_100011011225_100000757381 [0,0,0,1,0,0|3,0,0]=4 9876 B12R1.62 C=C1CC(C1)NCCCCCC 2230a_100132301982_100000210314 [0,0,0,1,0,0|2,0,0]=3 9877 B12R1.62 C=C1CC(C1)NCCCCCF 2230a_100132301982_100000729378 [0,0,0,1,0,0|3,0,0]=4 9878 B12R1.62 C=C1CC(C1)NCCCCCO 2230a_100132301982_100000746330 [0,0,0,1,0,0|3,0,0]=4 9879 B12R1.62 C=C1CC(C1)NCCCCOC 2230a_100132301982_100000730899 [0,0,0,1,0,0|3,0,0]=4 9880 B12R1.62 C=C1CC(C1)NCCCOCC 2230a_100132301982_100012232248 [0,0,0,1,0,0|3,0,0]=4 9881 B12R1.62 C=C1CC(C1)NCCOCCC 2230a_100132301982_100011215938 [0,0,0,1,0,0|3,0,0]=4 9882 B12R1.62 C=C1CC(C1)NCOCCCC 2230a_100132301982_100011995733 [0,0,0,1,0,0|3,0,0]=4 9883 B12R1.62 C=CCCCCSC1CC(=O)C1 62a_100009894365_100011215482 [0,0,0,1,0,0|1,0,2]=4 9884 B12R1.62 C=CCCCNCC1CC(=O)C1 2230a_100000700776_100009874392 [0,0,0,1,0,0|1,0,2]=4 9885 B12R1.62 C=CCCCOCC1CC(=O)C1 34a_100000101936_100000757094 [0,0,0,1,0,0|1,0,2]=4 9886 B12R1.62 C=CCCCOCC1CC(=O)C1 7a_100000758997_100009874392 [0,0,0,1,0,0|1,0,2]=4 9887 B12R1.62 C=CCCCSCC1CC(=O)C1 62a_100009874392_100000757094 [0,0,0,1,0,0|1,0,2]=4 9888 B12R1.62 C=CCCCSCC1CC(=O)C1 62a_100011713584_100009874392 [0,0,0,1,0,0|1,0,2]=4 9889 B12R1.62 CC/C=C\CCSC1CC(=O)C1 62a_100009894365_100015370543 [0,0,0,1,0,0|1,0,2]=4 9890 B12R1.62 CC/C=C\COCC1CC(=O)C1 34a_100000101936_100103147603 [0,0,0,1,0,0|1,0,2]=4 9891 B12R1.62 CC/C=C\CSCC1CC(=O)C1 62a_100009874392_100103147603 [0,0,0,1,0,0|1,0,2]=4 9892 B12R1.62 CC/C=C\CSCC1CC(=O)C1 62a_100103147603_100009874392 [0,0,0,1,0,0|1,0,2]=4 9893 B12R1.62 CCC#CCOCC1CC(=O)C1 34a_100000101936_100009813939 [0,0,0,1,0,0|1,0,2]=4 9894 B12R1.62 CCC#CCSCC1CC(=O)C1 62a_100009813939_100009874392 [0,0,0,1,0,0|1,0,2]=4 9895 B12R1.62 CCC#CCSCC1CC(=O)C1 62a_100009874392_100009813939 [0,0,0,1,0,0|1,0,2]=4 9896 B12R1.62 CCCCCCCN1CC(C1)C 2230a_100000702820_100000210681 [0,0,0,1,0,0|2,0,1]=4 9897 B12R1.62 CCCCCCCN1CC(C1)C 269982a_100000702820_100000210681 [0,0,0,1,0,0|2,0,1]=4 9898 B12R1.62 CCCCCCCN1CC(C1)C 34a_100000702820_100000210614 [0,0,0,1,0,0|2,0,1]=4 9899 B12R1.62 CCCCCCCN1CC(C1)F 2230a_100000690557_100000210681 [0,0,0,1,0,0|2,0,1]=4 9900 B12R1.62 CCCCCCCN1CC(C1)F 269982a_100000690557_100000210681 [0,0,0,1,0,0|2,0,1]=4 9901 B12R1.62 CCCCCCCN1CC(C1)F 34a_100000690557_100000210614 [0,0,0,1,0,0|2,0,1]=4 9902 B12R1.62 CCCCCCCN1CC(C1)O 269982a_100000749847_100000210681 [0,0,0,1,0,0|1,0,2]=4 9903 B12R1.62 CCCCCCNC1CC(C1)F 2230a_100016993743_100000210314 [0,0,0,1,0,0|2,0,1]=4 9904 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210314 [0,0,0,1,0,0|1,0,2]=4 9905 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,0,0,1,0,0|1,0,0]=2 9906 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,0,0,1,0,0|1,0,0]=2 9907 B12R1.62 CCCCCNCC1CC(C1)O 2230a_100016992100_100000210326 [0,0,0,1,0,0|1,0,2]=4 9908 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,0,0,1,0,0|1,0,0]=2 9909 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,0,0,1,0,0|1,0,0]=2 9910 B12R1.62 CCCCCOCC1CC(C1)Cl 34a_100009874164_100000718602 [0,0,0,1,0,0|2,0,1]=4 9911 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,0,0,1,0,0|1,0,0]=2 9912 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,0,0,1,0,0|1,0,0]=2 9913 B12R1.62 CCCCOCSC1CC(=O)C1 62a_100009894365_100011995733 [0,0,0,1,0,0|2,0,0]=3 9914 B12R1.62 CCCOCCSC1CC(=O)C1 62a_100009894365_100011215938 [0,0,0,1,0,0|2,0,0]=3 9915 B12R1.62 CCOCCCSC1CC(=O)C1 62a_100009894365_100012232248 [0,0,0,1,0,0|2,0,0]=3 9916 B12R1.62 CCOCCNCC1CC(=O)C1 2230a_102516460346_100009874392 [0,0,0,1,0,0|2,0,0]=3 9917 B12R1.62 CCOCCOCC1CC(=O)C1 34a_100000101936_100000210147 [0,0,0,1,0,0|2,0,0]=3 9918 B12R1.62 CCOCCOCC1CC(=O)C1 7a_100000210136_100009874392 [0,0,0,1,0,0|2,0,0]=3 9919 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100000210147_100009874392 [0,0,0,1,0,0|2,0,0]=3 9920 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100009874392_100011215890 [0,0,0,1,0,0|2,0,0]=3 9921 B12R1.62 CCSCCNCC1CC(=O)C1 2230a_100000106463_100009874392 [0,0,0,1,0,0|2,0,0]=3 9922 B12R1.62 CCSCCOCC1CC(=O)C1 34a_100000101936_100000757381 [0,0,0,1,0,0|2,0,0]=3 9923 B12R1.62 CCSCCOCC1CC(=O)C1 7a_100000212035_100009874392 [0,0,0,1,0,0|2,0,0]=3 9924 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100000757381_100009874392 [0,0,0,1,0,0|2,0,0]=3 9925 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100009874392_100000757381 [0,0,0,1,0,0|2,0,0]=3 9926 B12R1.62 COCCCCSC1CC(=O)C1 62a_100009894365_100000730899 [0,0,0,1,0,0|2,0,0]=3 9927 B12R1.62 COCCCOCC1CC(=O)C1 34a_100000101936_100000740836 [0,0,0,1,0,0|2,0,0]=3 9928 B12R1.62 COCCCSCC1CC(=O)C1 62a_100000709357_100009874392 [0,0,0,1,0,0|2,0,0]=3 9929 B12R1.62 COCCCSCC1CC(=O)C1 62a_100009874392_100000709357 [0,0,0,1,0,0|2,0,0]=3 9930 B12R1.62 COCCOCSC1CC(=O)C1 62a_100009894365_100000231047 [0,0,0,1,0,0|3,0,0]=4 9931 B12R1.62 CSCCCNCC1CC(=O)C1 2230a_100000749238_100009874392 [0,0,0,1,0,0|2,0,0]=3 9932 B12R1.62 CSCCCOCC1CC(=O)C1 7a_100000690336_100009874392 [0,0,0,1,0,0|2,0,0]=3 9933 B12R1.62 N#CCCCCSC1CC(=O)C1 62a_100009894365_100000211819 [0,0,0,1,0,0|2,0,1]=4 9934 B12R1.62 N#CCCCSCC1CC(=O)C1 62a_100000687738_100009874392 [0,0,0,1,0,0|2,0,1]=4 9935 B12R1.62 N#CCCCSCC1CC(=O)C1 62a_100009874392_100000687738 [0,0,0,1,0,0|2,0,1]=4 9936 B12R1.62 O=C1CC(C1)CNCCCCO 2230a_100000750430_100009874392 [0,0,0,1,0,0|2,0,0]=3 9937 B12R1.62 O=C1CC(C1)COCCCCCl 7a_100000210776_100009874392 [0,0,0,1,0,0|2,0,0]=3 9938 B12R1.62 O=C1CC(C1)COCCCCF 34a_100000101936_100000729493 [0,0,0,1,0,0|2,0,0]=3 9939 B12R1.62 O=C1CC(C1)COCCCCF 7a_100011995726_100009874392 [0,0,0,1,0,0|2,0,0]=3 9940 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,0,0,1,0,0|2,0,0]=3 9941 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100000729493_100009874392 [0,0,0,1,0,0|2,0,0]=3 9942 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100009874392_100000729493 [0,0,0,1,0,0|2,0,0]=3 9943 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100000210776_100009874392 [0,0,0,1,0,0|2,0,0]=3 9944 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100009874392_100000210776 [0,0,0,1,0,0|2,0,0]=3 9945 B12R1.62 O=C1CC(C1)SCCCCCF 62a_100009894365_100000729378 [0,0,0,1,0,0|2,0,0]=3 9946 B12R1.62 O=C1CC(C1)SCCCCCO 62a_100009894365_100000746330 [0,0,0,1,0,0|2,0,0]=3 9947 B12R1.62 O=C1CC(C1)SCCOCCO 62a_100009894365_100011215305 [0,0,0,1,0,0|3,0,0]=4 9948 B12R1.62 O=CCCCCSC1CC(=O)C1 62a_100009894365_100000139335 [0,0,0,1,0,0|2,0,1]=4 9949 B12R1.62 O=CCCCSCC1CC(=O)C1 62a_100009874392_200011292268 [0,0,0,1,0,0|2,0,1]=4 9950 B12R1.62 O=CCCCSCC1CC(=O)C1 62a_200011292268_100009874392 [0,0,0,1,0,0|2,0,1]=4 9951 B12R1.75 C=C(C)CN1CCCCC1CC 2230a_100000210034_100000748629 [0,0,0,1,0,0|2,0,0]=3 9952 B12R1.75 C=C(C)CN1CCCCC1CC 269982a_100000210034_100000748629 [0,0,0,1,0,0|2,0,0]=3 9953 B12R1.75 C=C(C)CN1CCCCC1CC 34a_100000210034_100000748629 [0,0,0,1,0,0|2,0,0]=3 9954 B12R1.75 C=C(C)CN1CCCCC1CO 2230a_100000210821_100000748629 [0,0,0,1,0,0|3,0,0]=4 9955 B12R1.75 C=C(C)CN1CCCCC1CO 269982a_100000210821_100000748629 [0,0,0,1,0,0|3,0,0]=4 9956 B12R1.75 C=C(C)CN1CCCCC1CO 34a_100000210821_100000748629 [0,0,0,1,0,0|3,0,0]=4 9957 B12R1.75 C=C(C)CN1CCOC[C@@H]1CC 2230a_100016988097_100000748629 [0,0,0,1,0,0|3,0,0]=4 9958 B12R1.75 C=C(C)CN1CCOC[C@@H]1CC 269982a_100016988097_100000748629 [0,0,0,1,0,0|3,0,0]=4 9959 B12R1.75 C=C(C)CN1CCOC[C@@H]1CC 34a_100016988097_100000748629 [0,0,0,1,0,0|3,0,0]=4 9960 B12R1.75 C=C(F)CN1CCCCC1CC 2230a_100000210034_100009893438 [0,0,0,1,0,0|2,0,1]=4 9961 B12R1.75 C=C(F)CN1CCCCC1CC 269982a_100000210034_100009893438 [0,0,0,1,0,0|2,0,1]=4 9962 B12R1.75 C=C(F)CN1CCCCC1CC 34a_100000210034_100009893438 [0,0,0,1,0,0|2,0,1]=4 9963 B12R1.75 CC(=O)NC1CCOCC1CO 240690a_214813039666_100015343762 [0,0,0,1,0,0|3,0,0]=4 9964 B12R1.75 CCC1CCCCC1OC(C)C 34a_100000210738_100000210206 [0,0,0,1,0,0|2,0,1]=4 9965 B12R1.75 CCC1CCCCC1OC(C)C 7a_100000210738_100000210206 [0,0,0,1,0,0|2,0,1]=4 9966 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,0,0,1,0,0|2,0,0]=3 9967 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,0,0,1,0,0|2,0,0]=3 9968 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,0,0,1,0,0|2,0,0]=3 9969 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,0,0,1,0,0|2,0,0]=3 9970 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,0,0,1,0,0|2,0,0]=3 9971 B12R1.75 CCC1CCCCN1CC(C)C 2230a_100000210034_100000210760 [0,0,0,1,0,0|2,0,1]=4 9972 B12R1.75 CCC1CCCCN1CC(C)C 269982a_100000210034_100000210624 [0,0,0,1,0,0|2,0,1]=4 9973 B12R1.75 CCC1CCCCN1CC(C)C 270004a_100000210034_100000210432 [0,0,0,1,0,0|2,0,1]=4 9974 B12R1.75 CCC1CCCCN1CC(C)C 34a_100000210034_100000210624 [0,0,0,1,0,0|2,0,1]=4 9975 B12R1.75 CCC1CCCCN1CC(C)O 2230a_100000210034_100011218427 [0,0,0,1,0,0|1,0,2]=4 9976 B12R1.75 CCC1CCCCN1CC(C)O 269982a_100000210034_100011218427 [0,0,0,1,0,0|1,0,2]=4 9977 B12R1.75 CCC1CCCCN1CC(C)O 34a_100000210034_100011218427 [0,0,0,1,0,0|1,0,2]=4 9978 B12R1.75 CCC1CCCCN1C[C@@H](C)O 2230a_100000210034_100009817552 [0,0,0,1,0,0|1,0,2]=4 9979 B12R1.75 CCC1CCCCN1C[C@@H](C)O 269982a_100000210034_100009817552 [0,0,0,1,0,0|1,0,2]=4 9980 B12R1.75 CCC1CCCCN1C[C@@H](C)O 34a_100000210034_100009817552 [0,0,0,1,0,0|1,0,2]=4 9981 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 269982a_100000210034_100000761209 [0,0,0,1,0,0|3,0,0]=4 9982 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 34a_100000210034_100000761209 [0,0,0,1,0,0|3,0,0]=4 9983 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [0,0,0,1,0,0|2,0,0]=3 9984 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [0,0,0,1,0,0|2,0,0]=3 9985 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [0,0,0,1,0,0|2,0,0]=3 9986 B12R1.75 CCN1CCCCC1CN(C)C 2230a_100000746231_100000210202 [0,0,0,1,0,0|3,0,0]=4 9987 B12R1.75 CCN1CCCCC1CN(C)C 269982a_100000746231_100000204670 [0,0,0,1,0,0|3,0,0]=4 9988 B12R1.75 CC[C@H]1COCCN1CC(=O)N 2230a_100016988097_100000747473 [0,0,0,1,0,0|3,0,0]=4 9989 B12R1.75 CC[C@H]1COCCN1CC(=O)N 269982a_100016988097_100000187820 [0,0,0,1,0,0|3,0,0]=4 9990 B12R1.75 CC[C@H]1COCCN1CC(=O)N 34a_100016988097_100000187820 [0,0,0,1,0,0|3,0,0]=4 9991 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 269982a_100016988097_100020667443 [0,0,0,1,0,0|3,0,0]=4 9992 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 34a_100016988097_100020667443 [0,0,0,1,0,0|3,0,0]=4 9993 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,0,0,1,0,0|2,0,0]=3 9994 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,0,0,1,0,0|2,0,0]=3 9995 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,0,0,1,0,0|2,0,0]=3 9996 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,0,0,1,0,0|2,0,0]=3 9997 B12R1.75 NC(=O)CC1CCCCN1CF 269982a_100015184752_100015361967 [0,0,0,1,0,0|3,0,0]=4 9998 B12R1.75 NC(=O)CC1CCCCN1CF 34a_100015184752_100015361967 [0,0,0,1,0,0|3,0,0]=4 9999 B12R1.75 NC(=O)CN1CCCCC1CO 2230a_100000210821_100000747473 [0,0,0,1,0,0|3,0,0]=4 10000 B12R1.75 NC(=O)CN1CCCCC1CO 269982a_100000210821_100000187820 [0,0,0,1,0,0|3,0,0]=4 10001 B12R1.75 NC(=O)CN1CCCCC1CO 34a_100000210821_100000187820 [0,0,0,1,0,0|3,0,0]=4 10002 B12R1.75 O=C([O-])CN1CCCCC1CO 269982a_100000210821_100020667443 [0,0,0,1,0,0|3,0,0]=4 10003 B12R1.75 O=C([O-])CN1CCCCC1CO 34a_100000210821_100020667443 [0,0,0,1,0,0|3,0,0]=4 10004 B12R1.81 C=C(C)CCN1CCCC1CC 2230a_100000754278_100000730704 [0,0,0,1,0,0|2,0,0]=3 10005 B12R1.81 C=C(C)CCN1CCCC1CC 269982a_100000754278_100000730704 [0,0,0,1,0,0|2,0,0]=3 10006 B12R1.81 C=C(C)CCN1CCCC1CC 34a_100000754278_100000730704 [0,0,0,1,0,0|2,0,0]=3 10007 B12R1.81 C=C(C)CCN1CCC[C@@H]1CO 2230a_100000745186_100000730704 [0,0,0,1,0,0|3,0,0]=4 10008 B12R1.81 C=C(C)CCN1CCC[C@@H]1CO 269982a_100000745186_100000730704 [0,0,0,1,0,0|3,0,0]=4 10009 B12R1.81 C=C(C)CCN1CCC[C@@H]1CO 34a_100000745186_100000730704 [0,0,0,1,0,0|3,0,0]=4 10010 B12R1.81 CC(=O)CCN1CCC[C@@H]1C#N 269982a_106645074975_100000053229 [0,0,0,1,0,0|2,0,1]=4 10011 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000053229 [0,0,0,1,0,0|2,0,0]=3 10012 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_100000076356 [0,0,0,1,0,0|3,0,0]=4 10013 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_100009813279 [0,0,0,1,0,0|3,0,0]=4 10014 B12R1.81 CCC1C=CCN1CCC(=O)C 269982a_100000730860_100000053229 [0,0,0,1,0,0|1,0,2]=4 10015 B12R1.81 CCC1CCCC1=NNC(=O)C 4a_100000189765_100000749056 [0,0,0,1,0,0|2,0,1]=4 10016 B12R1.81 CCC1CCCC1NCC(C)C 269862a_100000210953_100000749056 [0,0,0,1,0,0|2,0,1]=4 10017 B12R1.81 CCC1CCCC1NCC(C)C 270004a_100000210953_100000749056 [0,0,0,1,0,0|2,0,1]=4 10018 B12R1.81 CCC1CCCC1NCC(C)O 269862a_100000210904_100000749056 [0,0,0,1,0,0|1,0,2]=4 10019 B12R1.81 CCC1CCCC1NCC(C)O 270004a_100000210904_100000749056 [0,0,0,1,0,0|1,0,2]=4 10020 B12R1.81 CCC1CCCN1CC=C(C)C 2230a_100000754278_100000761012 [0,0,0,1,0,0|2,0,1]=4 10021 B12R1.81 CCC1CCCN1CC=C(C)C 269982a_100000754278_100000761012 [0,0,0,1,0,0|2,0,1]=4 10022 B12R1.81 CCC1CCCN1CC=C(C)C 34a_100000754278_100000761012 [0,0,0,1,0,0|2,0,1]=4 10023 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,0,0,1,0,0|1,0,0]=2 10024 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [0,0,0,1,0,0|2,0,0]=3 10025 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [0,0,0,1,0,0|2,0,0]=3 10026 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [0,0,0,1,0,0|2,0,0]=3 10027 B12R1.81 CCC1CCCN1CCC(C)C 2230a_100000754278_100000210312 [0,0,0,1,0,0|2,0,1]=4 10028 B12R1.81 CCC1CCCN1CCC(C)C 269982a_100000754278_100000210312 [0,0,0,1,0,0|2,0,1]=4 10029 B12R1.81 CCC1CCCN1CCC(C)C 34a_100000754278_100000210312 [0,0,0,1,0,0|2,0,1]=4 10030 B12R1.81 CCC1CCCN1CCC(C)O 2230a_100000754278_100012276601 [0,0,0,1,0,0|1,0,2]=4 10031 B12R1.81 CCC1CCCN1CCC(C)O 269982a_100000754278_100012276601 [0,0,0,1,0,0|1,0,2]=4 10032 B12R1.81 CCC1CCCN1CCC(C)O 34a_100000754278_100012276601 [0,0,0,1,0,0|1,0,2]=4 10033 B12R1.81 CCC1CCCN1CCN(C)C 269982a_100000754278_100000755713 [0,0,0,1,0,0|3,0,0]=4 10034 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,0,0,1,0,0|2,0,0]=3 10035 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,0,0,1,0,0|2,0,0]=3 10036 B12R1.81 CCN1CCCC1CNC(=O)C 11a_100000211693_100015343762 [0,0,0,1,0,0|2,0,0]=3 10037 B12R1.81 CCN1CCCC1CNC(=O)C 1626a_100000211693_100015343762 [0,0,0,1,0,0|2,0,0]=3 10038 B12R1.81 CCN1CCCC1CNC(=O)C 240690a_100000211693_100015343762 [0,0,0,1,0,0|2,0,0]=3 10039 B12R1.81 CCN1CCCC1CNC(=O)C 527a_100000211693_100103153847 [0,0,0,1,0,0|2,0,0]=3 10040 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000744528 [0,0,0,1,0,0|3,0,0]=4 10041 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000744528 [0,0,0,1,0,0|3,0,0]=4 10042 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000731001 [0,0,0,1,0,0|3,0,0]=4 10043 B12R1.125 C=C(C)CCN1CCCCC1C 2230a_100000211376_100000730704 [0,0,0,1,0,0|2,0,0]=3 10044 B12R1.125 C=C(C)CCN1CCCCC1C 269982a_100000211376_100000730704 [0,0,0,1,0,0|2,0,0]=3 10045 B12R1.125 C=C(C)CCN1CCCCC1C 34a_100000211376_100000730704 [0,0,0,1,0,0|2,0,0]=3 10046 B12R1.125 C=C(C)CCN1CCOC[C@@H]1C 2230a_100009815349_100000730704 [0,0,0,1,0,0|3,0,0]=4 10047 B12R1.125 C=C(C)CCN1CCOC[C@@H]1C 269982a_100009815349_100000730704 [0,0,0,1,0,0|3,0,0]=4 10048 B12R1.125 C=C(C)CCN1CCOC[C@@H]1C 34a_100009815349_100000730704 [0,0,0,1,0,0|3,0,0]=4 10049 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,0,0,1,0,0|2,0,0]=3 10050 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,0,0,1,0,0|2,0,0]=3 10051 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000748629 [0,0,0,1,0,0|3,0,0]=4 10052 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000748629 [0,0,0,1,0,0|3,0,0]=4 10053 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,0,0,1,0,0|2,0,0]=3 10054 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,0,0,1,0,0|2,0,0]=3 10055 B12R1.125 C=C(C)COC1CCCCC1Cl 34a_100000038908_100000748629 [0,0,0,1,0,0|3,0,0]=4 10056 B12R1.125 C=C(C)COC1CCCCC1Cl 7a_100000038908_100000748629 [0,0,0,1,0,0|3,0,0]=4 10057 B12R1.125 C=C(C)COC1CCCCC1F 34a_100000210245_100015423560 [0,0,0,1,0,0|3,0,0]=4 10058 B12R1.125 C=C(C)COC1CCCCC1O 34a_100000210245_100000038908 [0,0,0,1,0,0|3,0,0]=4 10059 B12R1.125 C=C(C)COC1CCNCC1C 34a_100011998114_100000748629 [0,0,0,1,0,0|3,0,0]=4 10060 B12R1.125 C=C(C)COC1CNCCC1C 34a_100000696640_100000748629 [0,0,0,1,0,0|3,0,0]=4 10061 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000748629 [0,0,0,1,0,0|3,0,0]=4 10062 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000748629 [0,0,0,1,0,0|3,0,0]=4 10063 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000748629 [0,0,0,1,0,0|3,0,0]=4 10064 B12R1.125 C=C(C)CSC1CCCCC1F 62a_100000748629_100015423560 [0,0,0,1,0,0|3,0,0]=4 10065 B12R1.125 C=C(C)CSC1CCCCC1F 62a_100015423560_100000211660 [0,0,0,1,0,0|3,0,0]=4 10066 B12R1.125 C=C(C)CSC1CCCCC1O 62a_100000038908_100000211660 [0,0,0,1,0,0|3,0,0]=4 10067 B12R1.125 C=C(C)CSC1CCCCC1O 62a_100000748629_100000038908 [0,0,0,1,0,0|3,0,0]=4 10068 B12R1.125 C=C(F)CNC1CCCCC1C 2230a_100000211402_100009893438 [0,0,0,1,0,0|2,0,1]=4 10069 B12R1.125 C=C(F)CNC1CCCCC1C 34a_100000211402_100009893438 [0,0,0,1,0,0|2,0,1]=4 10070 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,0,0,1,0,0|2,0,1]=4 10071 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,0,0,1,0,0|2,0,1]=4 10072 B12R1.125 CC(=CCN1CCCCC1C)C 2230a_100000211376_100000761012 [0,0,0,1,0,0|2,0,1]=4 10073 B12R1.125 CC(=CCN1CCCCC1C)C 269982a_100000211376_100000761012 [0,0,0,1,0,0|2,0,1]=4 10074 B12R1.125 CC(=CCN1CCCCC1C)C 34a_100000211376_100000761012 [0,0,0,1,0,0|2,0,1]=4 10075 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,0,0,1,0,0|1,0,0]=2 10076 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,0,0,1,0,0|1,0,0]=2 10077 B12R1.125 CC(=O)CCN1CCCCC1=O 1458a_100011236303_200000210301 [0,0,0,1,0,0|2,0,1]=4 10078 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,0,0,1,0,0|1,0,0]=2 10079 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000053229 [0,0,0,1,0,0|2,0,0]=3 10080 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,0,0,1,0,0|2,0,1]=4 10081 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,0,0,1,0,0|1,0,0]=2 10082 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,0,0,1,0,0|2,0,0]=3 10083 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,0,0,1,0,0|2,0,0]=3 10084 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,0,0,1,0,0|2,0,0]=3 10085 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,0,0,1,0,0|2,0,0]=3 10086 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,0,0,1,0,0|2,0,0]=3 10087 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,0,0,1,0,0|2,0,0]=3 10088 B12R1.125 CC(=O)NN=C1CCCCC1C 4a_100000189765_100000210921 [0,0,0,1,0,0|2,0,1]=4 10089 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,0,0,1,0,0|2,0,0]=3 10090 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,0,0,1,0,0|2,0,0]=3 10091 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 269982a_100009815349_100000076356 [0,0,0,1,0,0|3,0,0]=4 10092 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 34a_100009815349_100009813279 [0,0,0,1,0,0|3,0,0]=4 10093 B12R1.125 CC(C)CCN1CCCCC1C 2230a_100000211376_100000210312 [0,0,0,1,0,0|2,0,1]=4 10094 B12R1.125 CC(C)CCN1CCCCC1C 269982a_100000211376_100000210312 [0,0,0,1,0,0|2,0,1]=4 10095 B12R1.125 CC(C)CCN1CCCCC1C 34a_100000211376_100000210312 [0,0,0,1,0,0|2,0,1]=4 10096 B12R1.125 CC(C)CNC1CCCCC1C 2230a_100000211402_100000210760 [0,0,0,1,0,0|2,0,1]=4 10097 B12R1.125 CC(C)CNC1CCCCC1C 269862a_100000210953_100000210921 [0,0,0,1,0,0|2,0,1]=4 10098 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000210953_100000210921 [0,0,0,1,0,0|2,0,1]=4 10099 B12R1.125 CC(C)CNC1CCCCC1C 270004a_100000211402_100000210432 [0,0,0,1,0,0|2,0,1]=4 10100 B12R1.125 CC(C)CNC1CCCCC1C 34a_100000211402_100000210624 [0,0,0,1,0,0|2,0,1]=4 10101 B12R1.125 CC(C)COC1CCCCC1C 34a_100000211207_100000210624 [0,0,0,1,0,0|2,0,1]=4 10102 B12R1.125 CC(C)COC1CCCCC1C 7a_100000211207_100000210760 [0,0,0,1,0,0|2,0,1]=4 10103 B12R1.125 CC(O)CCN1CCCCC1C 2230a_100000211376_100012276601 [0,0,0,1,0,0|1,0,2]=4 10104 B12R1.125 CC(O)CCN1CCCCC1C 269982a_100000211376_100012276601 [0,0,0,1,0,0|1,0,2]=4 10105 B12R1.125 CC(O)CCN1CCCCC1C 34a_100000211376_100012276601 [0,0,0,1,0,0|1,0,2]=4 10106 B12R1.125 CC(O)CNC1CCCCC1C 2230a_100000211402_100011218427 [0,0,0,1,0,0|1,0,2]=4 10107 B12R1.125 CC(O)CNC1CCCCC1C 269862a_100000210904_100000210921 [0,0,0,1,0,0|1,0,2]=4 10108 B12R1.125 CC(O)CNC1CCCCC1C 270004a_100000210904_100000210921 [0,0,0,1,0,0|1,0,2]=4 10109 B12R1.125 CC(O)CNC1CCCCC1C 34a_100000211402_100011218427 [0,0,0,1,0,0|1,0,2]=4 10110 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,0,0,1,0,0|1,0,2]=4 10111 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,0,0,1,0,0|1,0,2]=4 10112 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,0,0,1,0,0|2,0,0]=3 10113 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,0,0,1,0,0|2,0,0]=3 10114 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,0,0,1,0,0|2,0,0]=3 10115 B12R1.125 CC1CCCCC1NC[C@@H](C)O 2230a_100000211402_100009817552 [0,0,0,1,0,0|1,0,2]=4 10116 B12R1.125 CC1CCCCC1NC[C@@H](C)O 34a_100000211402_100009817552 [0,0,0,1,0,0|1,0,2]=4 10117 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 34a_100000211402_100000761209 [0,0,0,1,0,0|3,0,0]=4 10118 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,0,0,1,0,0|2,0,0]=3 10119 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,0,0,1,0,0|2,0,0]=3 10120 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,0,0,1,0,0|1,0,0]=2 10121 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,0,0,1,0,0|2,0,0]=3 10122 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,0,0,1,0,0|1,0,2]=4 10123 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,0,0,1,0,0|1,0,2]=4 10124 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,0,0,1,0,0|3,0,0]=4 10125 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,0,0,1,0,0|2,0,0]=3 10126 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,0,0,1,0,0|2,0,0]=3 10127 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,0,0,1,0,0|2,0,0]=3 10128 B12R1.125 CC1CCCCN1CCN(C)C 2230a_200011233311_200000210301 [0,0,0,1,0,0|3,0,0]=4 10129 B12R1.125 CC1CCCCN1CCN(C)C 269982a_100000211376_100000755713 [0,0,0,1,0,0|3,0,0]=4 10130 B12R1.125 CC1CCCCN1CCN(C)C 269982a_200011233311_200000210301 [0,0,0,1,0,0|3,0,0]=4 10131 B12R1.125 CC1CCCCN1CCN(C)[13CH3] 2230a_200011233311_200025704644 [0,0,0,1,0,0|3,0,0]=4 10132 B12R1.125 CC1CCCCN1CCN(C)[13CH3] 269982a_200011233311_200025704644 [0,0,0,1,0,0|3,0,0]=4 10133 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,0,0,1,0,0|3,0,0]=4 10134 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,0,0,1,0,0|3,0,0]=4 10135 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,0,0,1,0,0|3,0,0]=4 10136 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,0,0,1,0,0|3,0,0]=4 10137 B12R1.125 CN(C)CCC1CCCCN1C 2230a_100102631434_100000211948 [0,0,0,1,0,0|3,0,0]=4 10138 B12R1.125 CN(C)CCC1CCCCN1C 269982a_100000243220_200000210301 [0,0,0,1,0,0|3,0,0]=4 10139 B12R1.125 CN(C)CCC1CCCCN1C 269982a_100102631434_100000211948 [0,0,0,1,0,0|3,0,0]=4 10140 B12R1.125 CN(C)CCC1CCCCN1[13CH3] 269982a_100000243220_200025704644 [0,0,0,1,0,0|3,0,0]=4 10141 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,0,1,0,0|2,0,0]=3 10142 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,0,0,1,0,0|1,0,0]=2 10143 B12R1.125 C[C@H]1COCCN1CCC(=O)N 2230a_100009815349_100000744528 [0,0,0,1,0,0|3,0,0]=4 10144 B12R1.125 C[C@H]1COCCN1CCC(=O)N 269982a_100009815349_100000744528 [0,0,0,1,0,0|3,0,0]=4 10145 B12R1.125 C[C@H]1COCCN1CCC(=O)N 34a_100009815349_100000731001 [0,0,0,1,0,0|3,0,0]=4 10146 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [0,0,0,1,0,0|3,0,0]=4 10147 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [0,0,0,1,0,0|3,0,0]=4 10148 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,0,0,1,0,0|3,0,0]=4 10149 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,0,0,1,0,0|3,0,0]=4 10150 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,0,0,1,0,0|3,0,0]=4 10151 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,0,0,1,0,0|3,0,0]=4 10152 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,0,0,1,0,0|3,0,0]=4 10153 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [0,0,0,1,0,0|3,0,0]=4 10154 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [0,0,0,1,0,0|3,0,0]=4 10155 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [0,0,0,1,0,0|3,0,0]=4 10156 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [0,0,0,1,0,0|3,0,0]=4 10157 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,0,0,1,0,0|3,0,0]=4 10158 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,0,0,1,0,0|3,0,0]=4 10159 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,0,0,1,0,0|3,0,0]=4 10160 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [0,0,0,1,0,0|3,0,0]=4 10161 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,0,0,1,0,0|3,0,0]=4 10162 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,0,0,1,0,0|3,0,0]=4 10163 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [0,0,0,1,0,0|3,0,0]=4 10164 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [0,0,0,1,0,0|3,0,0]=4 10165 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [0,0,0,1,0,0|3,0,0]=4 10166 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [0,0,0,1,0,0|3,0,0]=4 10167 B12R1.125 [13CH3]C(=O)CCN1CCCCC1=O 1458a_100011236303_200025704644 [0,0,0,1,0,0|2,0,1]=4 10168 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,0,1,0,0|2,0,0]=3 10169 B12R1.130 C=C(C)CCOC1CCCC1C 34a_100011216460_100000730704 [0,0,0,1,0,0|2,0,0]=3 10170 B12R1.130 C=C(C)CCOC1CCCC1C 7a_100011216460_100000730704 [0,0,0,1,0,0|2,0,0]=3 10171 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000730704 [0,0,0,1,0,0|3,0,0]=4 10172 B12R1.130 C=C(C)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000730704 [0,0,0,1,0,0|3,0,0]=4 10173 B12R1.130 C=C(C)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000730704 [0,0,0,1,0,0|3,0,0]=4 10174 B12R1.130 C=C(C)CCS[C@@H]1CCC[C@H]1O 62a_100000730704_200016002552 [0,0,0,1,0,0|3,0,0]=4 10175 B12R1.130 C=C(C)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000730704 [0,0,0,1,0,0|3,0,0]=4 10176 B12R1.130 C=C(C)COCC1CCCN1C 34a_100000743107_100000748629 [0,0,0,1,0,0|3,0,0]=4 10177 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 2230a_100020605311_100011217483 [0,0,0,1,0,0|2,0,1]=4 10178 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 269982a_100020605311_100011217483 [0,0,0,1,0,0|2,0,1]=4 10179 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 2230a_100015189458_100011217483 [0,0,0,1,0,0|2,0,1]=4 10180 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 269982a_100015189458_100011217483 [0,0,0,1,0,0|2,0,1]=4 10181 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 34a_100015189458_100011217483 [0,0,0,1,0,0|2,0,1]=4 10182 B12R1.130 CC(=CCOC1CCCC1C)C 34a_100011216460_100000761012 [0,0,0,1,0,0|2,0,1]=4 10183 B12R1.130 CC(=CCOC1CCCC1C)C 7a_100011216460_100000761012 [0,0,0,1,0,0|2,0,1]=4 10184 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,0,0,1,0,0|1,0,0]=2 10185 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,0,0,1,0,0|1,0,0]=2 10186 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,0,0,1,0,0|1,0,0]=2 10187 B12R1.130 CC(=O)CCCN1CCSC1C 269982a_200011216479_100011215641 [0,0,0,1,0,0|2,0,0]=3 10188 B12R1.130 CC(=O)CCCN1CCSC1C 34a_200011216479_100000685027 [0,0,0,1,0,0|2,0,0]=3 10189 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [0,0,0,1,0,0|2,0,1]=4 10190 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [0,0,0,1,0,0|2,0,1]=4 10191 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,0,0,1,0,0|1,0,0]=2 10192 B12R1.130 CC(=O)CCOC1COCC1O 34a_100000759926_200000725654 [0,0,0,1,0,0|3,0,0]=4 10193 B12R1.130 CC(=O)CCOC1COCC1O 7a_100000759926_200000725654 [0,0,0,1,0,0|3,0,0]=4 10194 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [0,0,0,1,0,0|2,0,1]=4 10195 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [0,0,0,1,0,0|2,0,1]=4 10196 B12R1.130 CC(=O)CCSC1COCC1O 62a_100000053229_200000725654 [0,0,0,1,0,0|3,0,0]=4 10197 B12R1.130 CC(=O)CCSC1COCC1O 62a_200000725654_100000053229 [0,0,0,1,0,0|3,0,0]=4 10198 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,0,0,1,0,0|2,0,0]=3 10199 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,0,0,1,0,0|2,0,0]=3 10200 B12R1.130 CC(=O)NCCC1CCCN1C 240690a_100011219722_100015343762 [0,0,0,1,0,0|2,0,0]=3 10201 B12R1.130 CC(=O)NCCC1CCCN1C 527a_100011219722_100103153847 [0,0,0,1,0,0|2,0,0]=3 10202 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 2230a_100020605311_100000189650 [0,0,0,1,0,0|2,0,0]=3 10203 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_100000189650 [0,0,0,1,0,0|2,0,0]=3 10204 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 2230a_100015189458_100000189650 [0,0,0,1,0,0|2,0,0]=3 10205 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_100000189650 [0,0,0,1,0,0|2,0,0]=3 10206 B12R1.130 CC(=O)NCCN1CCSC1C 2230a_200011216479_100000189650 [0,0,0,1,0,0|3,0,0]=4 10207 B12R1.130 CC(=O)NCCN1CCSC1C 269982a_200011216479_100000189650 [0,0,0,1,0,0|3,0,0]=4 10208 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,0,0,1,0,0|2,0,0]=3 10209 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,0,0,1,0,0|2,0,0]=3 10210 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,0,0,1,0,0|2,0,0]=3 10211 B12R1.130 CC(=O)OCCN1CCSC1C 269982a_200011216479_100009814007 [0,0,0,1,0,0|3,0,0]=4 10212 B12R1.130 CC(=O)OCCN1CCSC1C 34a_200011216479_100009814007 [0,0,0,1,0,0|3,0,0]=4 10213 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,0,0,1,0,0|2,0,0]=3 10214 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009813279 [0,0,0,1,0,0|3,0,0]=4 10215 B12R1.130 CC(=O)OCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009813279 [0,0,0,1,0,0|3,0,0]=4 10216 B12R1.130 CC(=O)OCO[C@H]1CNC[C@H]1C 34a_200015306588_100009813279 [0,0,0,1,0,0|3,0,0]=4 10217 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_100000076356_200016002552 [0,0,0,1,0,0|3,0,0]=4 10218 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000076356 [0,0,0,1,0,0|3,0,0]=4 10219 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 2230a_100020605311_100011214892 [0,0,0,1,0,0|2,0,1]=4 10220 B12R1.130 CC(C)CCCN1CCC[C@@H]1C 269982a_100020605311_100011214892 [0,0,0,1,0,0|2,0,1]=4 10221 B12R1.130 CC(C)CCCN1CCC[C@H]1C 2230a_100015189458_100011214892 [0,0,0,1,0,0|2,0,1]=4 10222 B12R1.130 CC(C)CCCN1CCC[C@H]1C 269982a_100015189458_100011214892 [0,0,0,1,0,0|2,0,1]=4 10223 B12R1.130 CC(C)CCCN1CCC[C@H]1C 34a_100015189458_100011214892 [0,0,0,1,0,0|2,0,1]=4 10224 B12R1.130 CC(C)CCNC1CCCC1C 269862a_100000210545_100000752053 [0,0,0,1,0,0|2,0,1]=4 10225 B12R1.130 CC(C)CCOC1CCCC1C 34a_100011216460_100000210312 [0,0,0,1,0,0|2,0,1]=4 10226 B12R1.130 CC(C)CCOC1CCCC1C 7a_100011216460_100000210626 [0,0,0,1,0,0|2,0,1]=4 10227 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 2230a_100020605311_200000718107 [0,0,0,1,0,0|1,0,2]=4 10228 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 269982a_100020605311_200000718107 [0,0,0,1,0,0|1,0,2]=4 10229 B12R1.130 CC(O)CCCN1CCC[C@H]1C 2230a_100015189458_200000718107 [0,0,0,1,0,0|1,0,2]=4 10230 B12R1.130 CC(O)CCCN1CCC[C@H]1C 269982a_100015189458_200000718107 [0,0,0,1,0,0|1,0,2]=4 10231 B12R1.130 CC(O)CCCN1CCC[C@H]1C 34a_100015189458_200000718107 [0,0,0,1,0,0|1,0,2]=4 10232 B12R1.130 CC(O)CCNC1CCCC1C 269862a_200000755665_100000752053 [0,0,0,1,0,0|1,0,2]=4 10233 B12R1.130 CC(O)CCOC1CCCC1C 34a_100011216460_100012276601 [0,0,0,1,0,0|1,0,2]=4 10234 B12R1.130 CC(O)CCOC1CCCC1C 7a_100011216460_100012276601 [0,0,0,1,0,0|1,0,2]=4 10235 B12R1.130 CC1CCCC1NCCC(=O)N 269862a_100000740010_100000752053 [0,0,0,1,0,0|2,0,0]=3 10236 B12R1.130 CC1CCCC1NCCN(C)C 269862a_100000210585_100000752053 [0,0,0,1,0,0|3,0,0]=4 10237 B12R1.130 CC1CCCC1OCCC(=O)N 34a_100011216460_100000731001 [0,0,0,1,0,0|2,0,0]=3 10238 B12R1.130 CC1CCCC1OCCC(=O)N 7a_100011216460_100000744528 [0,0,0,1,0,0|2,0,0]=3 10239 B12R1.130 CC1CCCC1OCCN(C)C 7a_100011216460_100000755713 [0,0,0,1,0,0|3,0,0]=4 10240 B12R1.130 CC1SCCN1CCCC(=O)N 269982a_200011216479_100102525003 [0,0,0,1,0,0|3,0,0]=4 10241 B12R1.130 CC1SCCN1CCCC(=O)N 34a_200011216479_100102525003 [0,0,0,1,0,0|3,0,0]=4 10242 B12R1.130 CN1CCCC1COCC(=O)N 34a_100000743107_100000187820 [0,0,0,1,0,0|3,0,0]=4 10243 B12R1.130 CN1CCCC1COCC(=O)[O-] 34a_100000743107_100020667443 [0,0,0,1,0,0|3,0,0]=4 10244 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [0,0,0,1,0,0|2,0,0]=3 10245 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [0,0,0,1,0,0|2,0,0]=3 10246 B12R1.130 C[C@@H]1CCCN1CCCN(C)C 269982a_100015189458_100000757444 [0,0,0,1,0,0|3,0,0]=4 10247 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 2230a_100015189458_200000034859 [0,0,0,1,0,0|3,0,0]=4 10248 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 269982a_100015189458_200000034859 [0,0,0,1,0,0|3,0,0]=4 10249 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 269982a_100015189458_200011214921 [0,0,0,1,0,0|3,0,0]=4 10250 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 34a_100015189458_200011214921 [0,0,0,1,0,0|3,0,0]=4 10251 B12R1.130 C[C@@H]1CNC[C@@H]1OCCC(=O)N 34a_200015306588_100000731001 [0,0,0,1,0,0|3,0,0]=4 10252 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [0,0,0,1,0,0|2,0,0]=3 10253 B12R1.130 C[C@H]1CCCN1CCCN(C)C 269982a_100020605311_100000757444 [0,0,0,1,0,0|3,0,0]=4 10254 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 2230a_100020605311_200000034859 [0,0,0,1,0,0|3,0,0]=4 10255 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 269982a_100020605311_200000034859 [0,0,0,1,0,0|3,0,0]=4 10256 B12R1.130 C[C@H]1CCCN1CCOC(=O)N 269982a_100020605311_200011214921 [0,0,0,1,0,0|3,0,0]=4 10257 B12R1.130 NC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000731001 [0,0,0,1,0,0|3,0,0]=4 10258 B12R1.130 NC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000731001 [0,0,0,1,0,0|3,0,0]=4 10259 B12R1.130 NC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000744528_200016002552 [0,0,0,1,0,0|3,0,0]=4 10260 B12R1.130 NC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000744528 [0,0,0,1,0,0|3,0,0]=4 10261 B12R1.143 CC(=CCCOCC1CC1C)C 34a_100000744939_100011217483 [0,0,0,1,0,0|2,0,1]=4 10262 B12R1.143 CC(=CCCOCC1CC1C)C 7a_100000744939_100011217483 [0,0,0,1,0,0|2,0,1]=4 10263 B12R1.143 CC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817362 [0,0,0,1,0,0|2,0,0]=3 10264 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,0,0,1,0,0|1,0,0]=2 10265 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,0,0,1,0,0|1,0,0]=2 10266 B12R1.143 CC(=O)NCCOCC1CC1C 7a_100000744939_100000189650 [0,0,0,1,0,0|2,0,0]=3 10267 B12R1.143 CC(=O)OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000042594 [0,0,0,1,0,0|3,0,0]=4 10268 B12R1.143 CC(=O)OCCOCC1CC1C 34a_100000744939_100009814007 [0,0,0,1,0,0|2,0,0]=3 10269 B12R1.143 CC(=O)OCCOCC1CC1C 7a_100000744939_100009814007 [0,0,0,1,0,0|2,0,0]=3 10270 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000038929 [0,0,0,1,0,0|3,0,0]=4 10271 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000038929 [0,0,0,1,0,0|3,0,0]=4 10272 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000038929 [0,0,0,1,0,0|3,0,0]=4 10273 B12R1.143 CC(C)CCCOCC1CC1C 34a_100000744939_100011214892 [0,0,0,1,0,0|2,0,1]=4 10274 B12R1.143 CC(C)CCCOCC1CC1C 7a_100000744939_100011214892 [0,0,0,1,0,0|2,0,1]=4 10275 B12R1.143 CC(O)CCCOCC1CC1C 34a_100000744939_200000718107 [0,0,0,1,0,0|1,0,2]=4 10276 B12R1.143 CC(O)CCCOCC1CC1C 7a_100000744939_200000718107 [0,0,0,1,0,0|1,0,2]=4 10277 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,0,0,1,0,0|2,0,0]=3 10278 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,0,0,1,0,0|2,0,0]=3 10279 B12R1.143 CC1CC1COCCCN(C)C 7a_100000744939_100000757444 [0,0,0,1,0,0|3,0,0]=4 10280 B12R1.143 CC1CC1COCCNC(=O)N 7a_100000744939_200000034859 [0,0,0,1,0,0|3,0,0]=4 10281 B12R1.143 CC1CC1COCCOC(=O)N 34a_100000744939_200011214921 [0,0,0,1,0,0|3,0,0]=4 10282 B12R1.143 CC1CC1COCCOC(=O)N 7a_100000744939_200011214921 [0,0,0,1,0,0|3,0,0]=4 10283 B12R1.162 C=C(C)CCN1CCC1COC 2230a_100015195929_100000730704 [0,0,0,1,0,0|3,0,0]=4 10284 B12R1.162 C=C(C)CCN1CCC1COC 269982a_100015195929_100000730704 [0,0,0,1,0,0|3,0,0]=4 10285 B12R1.162 C=C(C)CCN1CCC1COC 34a_100015195929_100000730704 [0,0,0,1,0,0|3,0,0]=4 10286 B12R1.162 COCC1CCN1CCC(=O)C 269982a_100015195929_100000053229 [0,0,0,1,0,0|2,0,0]=3 10287 B12R1.162 COCC1CCN1CCC(=O)N 2230a_100015195929_100000744528 [0,0,0,1,0,0|3,0,0]=4 10288 B12R1.162 COCC1CCN1CCC(=O)N 269982a_100015195929_100000744528 [0,0,0,1,0,0|3,0,0]=4 10289 B12R1.162 COCC1CCN1CCC(=O)N 34a_100015195929_100000731001 [0,0,0,1,0,0|3,0,0]=4 10290 B12R1.162 COCC1CCN1COC(=O)C 269982a_100015195929_100000076356 [0,0,0,1,0,0|3,0,0]=4 10291 B12R1.162 COCC1CCN1COC(=O)C 34a_100015195929_100009813279 [0,0,0,1,0,0|3,0,0]=4 10292 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [0,0,0,1,0,0|2,0,1]=4 10293 B12R1.210 CC(C)CC1CCCCCN1C 2230a_100000759364_200000210301 [0,0,0,1,0,0|2,0,1]=4 10294 B12R1.210 CC(C)CC1CCCCCN1C 269982a_100000759364_200000210301 [0,0,0,1,0,0|2,0,1]=4 10295 B12R1.210 CC(C)CC1CCCCCN1C 34a_100000759364_200000210301 [0,0,0,1,0,0|2,0,1]=4 10296 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 2230a_100000759364_200025704644 [0,0,0,1,0,0|2,0,1]=4 10297 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 269982a_100000759364_200025704644 [0,0,0,1,0,0|2,0,1]=4 10298 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 34a_100000759364_200025704644 [0,0,0,1,0,0|2,0,1]=4 10299 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [0,0,0,1,0,0|2,0,1]=4 10300 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,0,0,1,0,0|1,0,0]=2 10301 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,0,0,1,0,0|1,0,0]=2 10302 B12R1.229 CC(=O)CCCOC1CCC1=O 34a_100000759063_100009892977 [0,0,0,1,0,0|2,0,1]=4 10303 B12R1.229 CC(=O)CCCOC1CCC1=O 7a_100000759063_100009892977 [0,0,0,1,0,0|2,0,1]=4 10304 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100009892977_100011215641 [0,0,0,1,0,0|2,0,1]=4 10305 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100011215641_100009892977 [0,0,0,1,0,0|2,0,1]=4 10306 B12R1.229 CC(=O)OCCCN1CCC1C 269982a_100000755817_100000042594 [0,0,0,1,0,0|2,0,0]=3 10307 B12R1.229 CC(=O)OCCCN1CCC1C 34a_100000755817_100000042594 [0,0,0,1,0,0|2,0,0]=3 10308 B12R1.229 CC(=O)SCCCN1CCC1C 269982a_100000755817_100000038929 [0,0,0,1,0,0|2,0,0]=3 10309 B12R1.229 CC(=O)SCCCN1CCC1C 34a_100000755817_100000038929 [0,0,0,1,0,0|2,0,0]=3 10310 B12R1.229 CC(=S)OCCCN1CCC1C 269982a_100000755817_200135323944 [0,0,0,1,0,0|2,1,0]=4 10311 B12R1.229 CC(=S)OCCCN1CCC1C 34a_100000755817_200135323944 [0,0,0,1,0,0|2,1,0]=4 10312 B12R1.229 CC(C)CCCCN1CCC1C 269982a_100000755817_100011216152 [0,0,0,1,0,0|2,0,1]=4 10313 B12R1.229 CC(C)CCCCN1CCC1C 34a_100000755817_100011216152 [0,0,0,1,0,0|2,0,1]=4 10314 B12R1.229 CC1CCN1CCCCN(C)C 269982a_100000755817_100000690147 [0,0,0,1,0,0|3,0,0]=4 10315 B12R1.229 CC1CCN1CCOCC(=O)N 269982a_100000755817_100000076697 [0,0,0,1,0,0|3,0,0]=4 10316 B12R1.229 CC1CCN1CCOCC(=O)N 34a_100000755817_100000076697 [0,0,0,1,0,0|3,0,0]=4 10317 B12R1.252 C=C(Br)CCOC1CCCCC1 34a_100009813270_100000210327 [0,0,0,1,0,0|2,0,1]=4 10318 B12R1.252 C=C(C)CCNC1CCCCC1 2230a_100000182618_100000730704 [0,0,0,1,0,0|2,0,0]=3 10319 B12R1.252 C=C(C)CCNC1CCCCC1 34a_100000182618_100000730704 [0,0,0,1,0,0|2,0,0]=3 10320 B12R1.252 C=C(C)CCNC1CCCOC1 2230a_100000719290_100000730704 [0,0,0,1,0,0|3,0,0]=4 10321 B12R1.252 C=C(C)CCNC1CCCOC1 34a_100000719290_100000730704 [0,0,0,1,0,0|3,0,0]=4 10322 B12R1.252 C=C(C)CCNC1CCOCC1 2230a_100000741149_100000730704 [0,0,0,1,0,0|3,0,0]=4 10323 B12R1.252 C=C(C)CCNC1CCOCC1 34a_100000741149_100000730704 [0,0,0,1,0,0|3,0,0]=4 10324 B12R1.252 C=C(C)CCNC1CCSCC1 2230a_100000748639_100000730704 [0,0,0,1,0,0|3,0,0]=4 10325 B12R1.252 C=C(C)CCNC1CCSCC1 34a_100000748639_100000730704 [0,0,0,1,0,0|3,0,0]=4 10326 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,0,0,1,0,0|2,0,0]=3 10327 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,0,0,1,0,0|2,0,0]=3 10328 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,0,0,1,0,0|2,0,0]=3 10329 B12R1.252 C=C(C)CCOC1CCCCO1 34a_100000033831_100000730704 [0,0,0,1,0,0|3,0,0]=4 10330 B12R1.252 C=C(C)CCOC1CCCOC1 34a_100000754041_100000730704 [0,0,0,1,0,0|3,0,0]=4 10331 B12R1.252 C=C(C)CCOC1CCCOC1 34a_100000764851_100000693364 [0,0,0,1,0,0|3,0,0]=4 10332 B12R1.252 C=C(C)CCOC1CCCSC1 7a_100015962668_100000730704 [0,0,0,1,0,0|3,0,0]=4 10333 B12R1.252 C=C(C)CCOC1CCOCC1 34a_100000744328_100000730704 [0,0,0,1,0,0|3,0,0]=4 10334 B12R1.252 C=C(C)CCOC1CCSCC1 34a_100000731022_100000730704 [0,0,0,1,0,0|3,0,0]=4 10335 B12R1.252 C=C(C)CCOC1CCSCC1 34a_100000764851_100000069128 [0,0,0,1,0,0|3,0,0]=4 10336 B12R1.252 C=C(C)CCOC1CCSCC1 7a_100000731022_100000730704 [0,0,0,1,0,0|3,0,0]=4 10337 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000210327_100000730704 [0,0,0,1,0,0|2,0,0]=3 10338 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000730704_100000210327 [0,0,0,1,0,0|2,0,0]=3 10339 B12R1.252 C=C(C)CCSC1CCCOC1 62a_100000730704_100000693364 [0,0,0,1,0,0|3,0,0]=4 10340 B12R1.252 C=C(C)CCSC1CCOCC1 62a_100000730704_100011324220 [0,0,0,1,0,0|3,0,0]=4 10341 B12R1.252 C=C(C)CCSC1CCSCC1 62a_100000730704_100000069128 [0,0,0,1,0,0|3,0,0]=4 10342 B12R1.252 C=C(C)CNCC1CCCCC1 2230a_100000210473_100000748629 [0,0,0,1,0,0|2,0,0]=3 10343 B12R1.252 C=C(C)CNCC1CCCCC1 34a_100000210473_100000748629 [0,0,0,1,0,0|2,0,0]=3 10344 B12R1.252 C=C(C)CNCC1CCCCO1 2230a_100000174945_100000748629 [0,0,0,1,0,0|3,0,0]=4 10345 B12R1.252 C=C(C)CNCC1CCCCO1 34a_100000174945_100000748629 [0,0,0,1,0,0|3,0,0]=4 10346 B12R1.252 C=C(C)CNCC1CCCOC1 2230a_100000720124_100000748629 [0,0,0,1,0,0|3,0,0]=4 10347 B12R1.252 C=C(C)CNCC1CCCOC1 34a_100000720124_100000748629 [0,0,0,1,0,0|3,0,0]=4 10348 B12R1.252 C=C(C)CNCC1CCOCC1 2230a_100000746373_100000748629 [0,0,0,1,0,0|3,0,0]=4 10349 B12R1.252 C=C(C)CNCC1CCOCC1 34a_100000746373_100000748629 [0,0,0,1,0,0|3,0,0]=4 10350 B12R1.252 C=C(C)CNCC1CCSCC1 2230a_100015188806_100000748629 [0,0,0,1,0,0|3,0,0]=4 10351 B12R1.252 C=C(C)CNCC1CCSCC1 34a_100015188806_100000748629 [0,0,0,1,0,0|3,0,0]=4 10352 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,0,0,1,0,0|2,0,0]=3 10353 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,0,0,1,0,0|2,0,0]=3 10354 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,0,0,1,0,0|2,0,0]=3 10355 B12R1.252 C=C(C)COCC1CCCCN1 34a_100000210821_100000748629 [0,0,0,1,0,0|3,0,0]=4 10356 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000210245_100000211543 [0,0,0,1,0,0|3,0,0]=4 10357 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000211370_100000748629 [0,0,0,1,0,0|3,0,0]=4 10358 B12R1.252 C=C(C)COCC1CCCCO1 7a_100000211370_100000748629 [0,0,0,1,0,0|3,0,0]=4 10359 B12R1.252 C=C(C)COCC1CCCNC1 34a_100000211344_100000748629 [0,0,0,1,0,0|3,0,0]=4 10360 B12R1.252 C=C(C)COCC1CCCOC1 34a_100000210245_100000741521 [0,0,0,1,0,0|3,0,0]=4 10361 B12R1.252 C=C(C)COCC1CCCOC1 34a_100000741520_100000748629 [0,0,0,1,0,0|3,0,0]=4 10362 B12R1.252 C=C(C)COCC1CCNCC1 34a_100000738675_100000748629 [0,0,0,1,0,0|3,0,0]=4 10363 B12R1.252 C=C(C)COCC1CCOCC1 34a_100000210245_100000754603 [0,0,0,1,0,0|3,0,0]=4 10364 B12R1.252 C=C(C)COCC1CCOCC1 34a_100000749013_100000748629 [0,0,0,1,0,0|3,0,0]=4 10365 B12R1.252 C=C(C)COCC1CCSCC1 34a_100000070558_100000748629 [0,0,0,1,0,0|3,0,0]=4 10366 B12R1.252 C=C(C)COCC1CCSCC1 7a_100000070558_100000748629 [0,0,0,1,0,0|3,0,0]=4 10367 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000211423_100000211660 [0,0,0,1,0,0|2,0,0]=3 10368 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000748629_100000211423 [0,0,0,1,0,0|2,0,0]=3 10369 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000211543_100000211660 [0,0,0,1,0,0|3,0,0]=4 10370 B12R1.252 C=C(C)CSCC1CCCCO1 62a_100000748629_100000211543 [0,0,0,1,0,0|3,0,0]=4 10371 B12R1.252 C=C(C)CSCC1CCCOC1 62a_100000741521_100000211660 [0,0,0,1,0,0|3,0,0]=4 10372 B12R1.252 C=C(C)CSCC1CCCOC1 62a_100000748629_100000741521 [0,0,0,1,0,0|3,0,0]=4 10373 B12R1.252 C=C(C)CSCC1CCOCC1 62a_100000748629_100000749018 [0,0,0,1,0,0|3,0,0]=4 10374 B12R1.252 C=C(C)CSCC1CCOCC1 62a_100000754603_100000211660 [0,0,0,1,0,0|3,0,0]=4 10375 B12R1.252 C=C(F)CNCC1CCCCC1 2230a_100000210473_100009893438 [0,0,0,1,0,0|2,0,1]=4 10376 B12R1.252 C=C(F)CNCC1CCCCC1 34a_100000210473_100009893438 [0,0,0,1,0,0|2,0,1]=4 10377 B12R1.252 C=C(F)COCC1CCCCC1 34a_100000212181_100009893438 [0,0,0,1,0,0|2,0,1]=4 10378 B12R1.252 C=C(F)COCC1CCCCC1 34a_200010262243_100000211423 [0,0,0,1,0,0|2,0,1]=4 10379 B12R1.252 C=C(F)COCC1CCCCC1 7a_100000212181_100000042424 [0,0,0,1,0,0|2,0,1]=4 10380 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000042424_100000211423 [0,0,0,1,0,0|2,0,1]=4 10381 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000211423_100000042424 [0,0,0,1,0,0|2,0,1]=4 10382 B12R1.252 CC(=CCNC1CCCCC1)C 2230a_100000182618_100000761012 [0,0,0,1,0,0|2,0,1]=4 10383 B12R1.252 CC(=CCNC1CCCCC1)C 270004a_100000718196_100000210434 [0,0,0,1,0,0|2,0,1]=4 10384 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000182618_100000761012 [0,0,0,1,0,0|2,0,1]=4 10385 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000718196_100000210327 [0,0,0,1,0,0|2,0,1]=4 10386 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000210231_100000761012 [0,0,0,1,0,0|2,0,1]=4 10387 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000753907_100000210327 [0,0,0,1,0,0|2,0,1]=4 10388 B12R1.252 CC(=CCOC1CCCCC1)C 7a_100000210231_100000761012 [0,0,0,1,0,0|2,0,1]=4 10389 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000210327_100000761012 [0,0,0,1,0,0|2,0,1]=4 10390 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000761012_100000210327 [0,0,0,1,0,0|2,0,1]=4 10391 B12R1.252 CC(=O)C=CCN1CCCCC1 1458a_100015232380_200000210301 [0,0,0,1,0,0|1,0,2]=4 10392 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,0,0,1,0,0|0,0,0]=1 10393 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,0,0,1,0,0|0,0,0]=1 10394 B12R1.252 CC(=O)CCCN1CC=CCC1 269982a_100000698166_100011215641 [0,0,0,1,0,0|1,0,2]=4 10395 B12R1.252 CC(=O)CCCN1CC=CCC1 34a_100000698166_100000685027 [0,0,0,1,0,0|1,0,2]=4 10396 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,0,0,1,0,0|1,0,0]=2 10397 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,0,0,1,0,0|1,0,0]=2 10398 B12R1.252 CC(=O)CCCN1CCCOC1 269982a_100000131196_100011215641 [0,0,0,1,0,0|2,0,0]=3 10399 B12R1.252 CC(=O)CCCN1CCCOC1 34a_100000131196_100000685027 [0,0,0,1,0,0|2,0,0]=3 10400 B12R1.252 CC(=O)CCCN1CCOCC1 1458a_100000070787_100000748698 [0,0,0,1,0,0|2,0,0]=3 10401 B12R1.252 CC(=O)CCCN1CCOCC1 269982a_100015191051_100011215641 [0,0,0,1,0,0|2,0,0]=3 10402 B12R1.252 CC(=O)CCCN1CCOCC1 34a_100015191051_100000685027 [0,0,0,1,0,0|2,0,0]=3 10403 B12R1.252 CC(=O)CCCN1CCSCC1 269982a_100000737611_100011215641 [0,0,0,1,0,0|2,0,0]=3 10404 B12R1.252 CC(=O)CCOC1C=CCCC1 7a_100000759926_100000751183 [0,0,0,1,0,0|1,0,2]=4 10405 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,0,0,1,0,0|1,0,0]=2 10406 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,0,0,1,0,0|1,0,0]=2 10407 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,0,0,1,0,0|1,0,0]=2 10408 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,0,0,1,0,0|1,0,0]=2 10409 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,0,0,1,0,0|2,0,0]=3 10410 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,0,0,1,0,0|2,0,0]=3 10411 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,0,0,1,0,0|2,0,0]=3 10412 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,0,0,1,0,0|2,0,0]=3 10413 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,0,0,1,0,0|2,0,0]=3 10414 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,0,0,1,0,0|2,0,0]=3 10415 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,0,0,1,0,0|2,0,0]=3 10416 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,0,0,1,0,0|2,0,0]=3 10417 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000053229_100000751183 [0,0,0,1,0,0|1,0,2]=4 10418 B12R1.252 CC(=O)CCSC1C=CCCC1 62a_100000751183_100000053229 [0,0,0,1,0,0|1,0,2]=4 10419 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,0,0,1,0,0|1,0,0]=2 10420 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,0,0,1,0,0|1,0,0]=2 10421 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [0,0,0,1,0,0|2,0,0]=3 10422 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [0,0,0,1,0,0|2,0,0]=3 10423 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [0,0,0,1,0,0|2,0,0]=3 10424 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,0,0,1,0,0|1,0,0]=2 10425 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,0,0,1,0,0|2,0,0]=3 10426 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,0,0,1,0,0|2,0,0]=3 10427 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,0,0,1,0,0|2,0,0]=3 10428 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,0,0,1,0,0|2,0,0]=3 10429 B12R1.252 CC(=O)NCCC1=CCCCC1 11a_100000212019_100015343762 [0,0,0,1,0,0|1,0,2]=4 10430 B12R1.252 CC(=O)NCCC1=CCCCC1 1626a_100000212019_100015343762 [0,0,0,1,0,0|1,0,2]=4 10431 B12R1.252 CC(=O)NCCC1=CCCCC1 240690a_100000212019_100015343762 [0,0,0,1,0,0|1,0,2]=4 10432 B12R1.252 CC(=O)NCCC1=CCCCC1 527a_100000212019_100103153847 [0,0,0,1,0,0|1,0,2]=4 10433 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,0,0,1,0,0|1,0,0]=2 10434 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,0,0,1,0,0|1,0,0]=2 10435 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,0,0,1,0,0|1,0,0]=2 10436 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,0,0,1,0,0|1,0,0]=2 10437 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,0,0,1,0,0|2,0,0]=3 10438 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,0,0,1,0,0|2,0,0]=3 10439 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,0,0,1,0,0|2,0,0]=3 10440 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,0,0,1,0,0|2,0,0]=3 10441 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,0,0,1,0,0|2,0,0]=3 10442 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,0,0,1,0,0|2,0,0]=3 10443 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,0,0,1,0,0|2,0,0]=3 10444 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,0,0,1,0,0|2,0,0]=3 10445 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [0,0,0,1,0,0|2,0,0]=3 10446 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [0,0,0,1,0,0|2,0,0]=3 10447 B12R1.252 CC(=O)NCCN1CCCOC1 2230a_100000131196_100000189650 [0,0,0,1,0,0|3,0,0]=4 10448 B12R1.252 CC(=O)NCCN1CCCOC1 269982a_100000131196_100000189650 [0,0,0,1,0,0|3,0,0]=4 10449 B12R1.252 CC(=O)NCCN1CCOCC1 11a_100000211067_100015343762 [0,0,0,1,0,0|3,0,0]=4 10450 B12R1.252 CC(=O)NCCN1CCOCC1 2230a_100015191051_100000189650 [0,0,0,1,0,0|3,0,0]=4 10451 B12R1.252 CC(=O)NCCN1CCOCC1 240690a_100000211067_100015343762 [0,0,0,1,0,0|3,0,0]=4 10452 B12R1.252 CC(=O)NCCN1CCOCC1 269982a_100015191051_100000189650 [0,0,0,1,0,0|3,0,0]=4 10453 B12R1.252 CC(=O)NCCN1CCOCC1 527a_100000211067_100103153847 [0,0,0,1,0,0|3,0,0]=4 10454 B12R1.252 CC(=O)NCCN1CCSCC1 2230a_100000737611_100000189650 [0,0,0,1,0,0|3,0,0]=4 10455 B12R1.252 CC(=O)NCCN1CCSCC1 240690a_100000755026_100015343762 [0,0,0,1,0,0|3,0,0]=4 10456 B12R1.252 CC(=O)NCCN1CCSCC1 269982a_100000737611_100000189650 [0,0,0,1,0,0|3,0,0]=4 10457 B12R1.252 CC(=O)NCCN1CCSCC1 527a_100000755026_100103153847 [0,0,0,1,0,0|3,0,0]=4 10458 B12R1.252 CC(=O)NN=CC1CCCCC1 4a_100000189765_100000211278 [0,0,0,1,0,0|2,0,1]=4 10459 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,0,0,1,0,0|2,0,0]=3 10460 B12R1.252 CC(=O)NNCC1CCOCC1 22a_200000757053_100000070787 [0,0,0,1,0,0|3,0,0]=4 10461 B12R1.252 CC(=O)OCCN1CCCOC1 269982a_100000131196_100009814007 [0,0,0,1,0,0|3,0,0]=4 10462 B12R1.252 CC(=O)OCCN1CCCOC1 34a_100000131196_100009814007 [0,0,0,1,0,0|3,0,0]=4 10463 B12R1.252 CC(=O)OCCN1CCOCC1 269982a_100015191051_100009814007 [0,0,0,1,0,0|3,0,0]=4 10464 B12R1.252 CC(=O)OCCN1CCOCC1 34a_100015191051_100009814007 [0,0,0,1,0,0|3,0,0]=4 10465 B12R1.252 CC(=O)OCCN1CCSCC1 269982a_100000737611_100009814007 [0,0,0,1,0,0|3,0,0]=4 10466 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,0,0,1,0,0|2,0,0]=3 10467 B12R1.252 CC(=O)OCNC1CCCOC1 34a_100000719290_100009813279 [0,0,0,1,0,0|3,0,0]=4 10468 B12R1.252 CC(=O)OCNC1CCOCC1 34a_100000741149_100009813279 [0,0,0,1,0,0|3,0,0]=4 10469 B12R1.252 CC(=O)OCNC1CCSCC1 34a_100000748639_100009813279 [0,0,0,1,0,0|3,0,0]=4 10470 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,0,0,1,0,0|2,0,0]=3 10471 B12R1.252 CC(=O)OCOC1CCCCO1 34a_100000033831_100009813279 [0,0,0,1,0,0|3,0,0]=4 10472 B12R1.252 CC(=O)OCOC1CCCOC1 34a_100000754041_100009813279 [0,0,0,1,0,0|3,0,0]=4 10473 B12R1.252 CC(=O)OCOC1CCOCC1 34a_100000744328_100009813279 [0,0,0,1,0,0|3,0,0]=4 10474 B12R1.252 CC(=O)OCOC1CCSCC1 34a_100000731022_100009813279 [0,0,0,1,0,0|3,0,0]=4 10475 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,0,0,1,0,0|2,0,0]=3 10476 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,0,0,1,0,0|2,0,0]=3 10477 B12R1.252 CC(=O)OCSC1CCCOC1 62a_100000076356_100000693364 [0,0,0,1,0,0|3,0,0]=4 10478 B12R1.252 CC(=O)OCSC1CCOCC1 62a_100000076356_100011324220 [0,0,0,1,0,0|3,0,0]=4 10479 B12R1.252 CC(=O)OCSC1CCSCC1 62a_100000076356_100000069128 [0,0,0,1,0,0|3,0,0]=4 10480 B12R1.252 CC(Br)CCOC1CCCCC1 34a_100009893172_100000210327 [0,0,0,1,0,0|2,0,1]=4 10481 B12R1.252 CC(Br)COCC1CCCCC1 34a_100012180447_100000211423 [0,0,0,1,0,0|2,0,1]=4 10482 B12R1.252 CC(C)CCNC1CCCCC1 2230a_100000182618_100000210312 [0,0,0,1,0,0|2,0,1]=4 10483 B12R1.252 CC(C)CCNC1CCCCC1 269862a_100000182618_100000185833 [0,0,0,1,0,0|2,0,1]=4 10484 B12R1.252 CC(C)CCNC1CCCCC1 270004a_100000210545_100000210434 [0,0,0,1,0,0|2,0,1]=4 10485 B12R1.252 CC(C)CCNC1CCCCC1 34a_100000182618_100000210312 [0,0,0,1,0,0|2,0,1]=4 10486 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210231_100000210312 [0,0,0,1,0,0|2,0,1]=4 10487 B12R1.252 CC(C)CCOC1CCCCC1 34a_100000210254_100000210327 [0,0,0,1,0,0|2,0,1]=4 10488 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210231_100000210626 [0,0,0,1,0,0|2,0,1]=4 10489 B12R1.252 CC(C)CCOC1CCCCC1 7a_100000210254_100000210327 [0,0,0,1,0,0|2,0,1]=4 10490 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210312_100000210327 [0,0,0,1,0,0|2,0,1]=4 10491 B12R1.252 CC(C)CCSC1CCCCC1 62a_100000210327_100000210312 [0,0,0,1,0,0|2,0,1]=4 10492 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210473_100000210760 [0,0,0,1,0,0|2,0,1]=4 10493 B12R1.252 CC(C)CNCC1CCCCC1 2230a_100000210953_100000211423 [0,0,0,1,0,0|2,0,1]=4 10494 B12R1.252 CC(C)CNCC1CCCCC1 269862a_100000210953_100000211278 [0,0,0,1,0,0|2,0,1]=4 10495 B12R1.252 CC(C)CNCC1CCCCC1 270004a_100000210473_100000210432 [0,0,0,1,0,0|2,0,1]=4 10496 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210473_100000210624 [0,0,0,1,0,0|2,0,1]=4 10497 B12R1.252 CC(C)CNCC1CCCCC1 34a_100000210953_100000211423 [0,0,0,1,0,0|2,0,1]=4 10498 B12R1.252 CC(C)COCC1CCCCC1 34a_100000210257_100000211423 [0,0,0,1,0,0|2,0,1]=4 10499 B12R1.252 CC(C)COCC1CCCCC1 34a_100000212181_100000210624 [0,0,0,1,0,0|2,0,1]=4 10500 B12R1.252 CC(C)COCC1CCCCC1 7a_100000212181_100000210760 [0,0,0,1,0,0|2,0,1]=4 10501 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000210624_100000211423 [0,0,0,1,0,0|2,0,1]=4 10502 B12R1.252 CC(C)CSCC1CCCCC1 62a_100000211423_100000210760 [0,0,0,1,0,0|2,0,1]=4 10503 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100000738074_100000210206 [0,0,0,1,0,0|2,0,1]=4 10504 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100138425928_100012355289 [0,0,0,1,0,0|2,0,1]=4 10505 B12R1.252 CC(C)NCCC1CCCCC1 34a_100000738074_100000210206 [0,0,0,1,0,0|2,0,1]=4 10506 B12R1.252 CC(C)NCCC1CCCCC1 34a_100138425928_100011209188 [0,0,0,1,0,0|2,0,1]=4 10507 B12R1.252 CC(C)OCCC1CCCCC1 34a_100000212225_100011209188 [0,0,0,1,0,0|2,0,1]=4 10508 B12R1.252 CC(C)OCCC1CCCCC1 34a_100011217863_100000210206 [0,0,0,1,0,0|2,0,1]=4 10509 B12R1.252 CC(C)OCCC1CCCCC1 7a_100011217863_100000210206 [0,0,0,1,0,0|2,0,1]=4 10510 B12R1.252 CC(C)SCCC1CCCCC1 62a_100000210206_100012355289 [0,0,0,1,0,0|2,0,1]=4 10511 B12R1.252 CC(C)SCCC1CCCCC1 62a_100012355289_100000210206 [0,0,0,1,0,0|2,0,1]=4 10512 B12R1.252 CC(F)COCC1CCCCC1 34a_100015925927_100000211423 [0,0,0,1,0,0|2,0,1]=4 10513 B12R1.252 CC(O)CCNC1CCCCC1 2230a_100000182618_100012276601 [0,0,0,1,0,0|1,0,2]=4 10514 B12R1.252 CC(O)CCNC1CCCCC1 270004a_200000755665_100000210434 [0,0,0,1,0,0|1,0,2]=4 10515 B12R1.252 CC(O)CCNC1CCCCC1 34a_100000182618_100012276601 [0,0,0,1,0,0|1,0,2]=4 10516 B12R1.252 CC(O)CCOC1CCCCC1 34a_100000210231_100012276601 [0,0,0,1,0,0|1,0,2]=4 10517 B12R1.252 CC(O)CCOC1CCCCC1 7a_100000210231_100012276601 [0,0,0,1,0,0|1,0,2]=4 10518 B12R1.252 CC(O)CCSC1CCCCC1 62a_100000210327_100012276601 [0,0,0,1,0,0|1,0,2]=4 10519 B12R1.252 CC(O)CCSC1CCCCC1 62a_100012276601_100000210327 [0,0,0,1,0,0|1,0,2]=4 10520 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210473_100011218427 [0,0,0,1,0,0|1,0,2]=4 10521 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210904_100000211423 [0,0,0,1,0,0|1,0,2]=4 10522 B12R1.252 CC(O)CNCC1CCCCC1 269862a_100000210904_100000211278 [0,0,0,1,0,0|1,0,2]=4 10523 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210473_100011218427 [0,0,0,1,0,0|1,0,2]=4 10524 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210904_100000211423 [0,0,0,1,0,0|1,0,2]=4 10525 B12R1.252 CC(O)COCC1CCCCC1 34a_100000212181_100011218427 [0,0,0,1,0,0|1,0,2]=4 10526 B12R1.252 CC(O)COCC1CCCCC1 7a_100000212181_100011218427 [0,0,0,1,0,0|1,0,2]=4 10527 B12R1.252 CC(O)CSCC1CCCCC1 62a_100000211423_100011218427 [0,0,0,1,0,0|1,0,2]=4 10528 B12R1.252 CC(O)CSCC1CCCCC1 62a_100011218427_100000211423 [0,0,0,1,0,0|1,0,2]=4 10529 B12R1.252 CN(C)CCCC1CCCCC1 2230a_100102631434_100011713725 [0,0,0,1,0,0|2,0,0]=3 10530 B12R1.252 CN(C)CCCC1CCCCC1 269982a_100102631434_100011713725 [0,0,0,1,0,0|2,0,0]=3 10531 B12R1.252 CN(C)CCCN1CCCCC1 2230a_100102631434_100000690320 [0,0,0,1,0,0|3,0,0]=4 10532 B12R1.252 CN(C)CCCN1CCCCC1 269982a_100102631434_100000690320 [0,0,0,1,0,0|3,0,0]=4 10533 B12R1.252 CN(C)CCNC1CCCCC1 270004a_100000210585_100000210434 [0,0,0,1,0,0|3,0,0]=4 10534 B12R1.252 CN(C)CCOC1CCCCC1 2230a_100102631434_100011211530 [0,0,0,1,0,0|3,0,0]=4 10535 B12R1.252 CN(C)CCOC1CCCCC1 269982a_100102631434_100011211530 [0,0,0,1,0,0|3,0,0]=4 10536 B12R1.252 CN(C)CCOC1CCCCC1 7a_100000210231_100000755713 [0,0,0,1,0,0|3,0,0]=4 10537 B12R1.252 CN(C)CCSC1CCCCC1 62a_100000210327_100000755713 [0,0,0,1,0,0|3,0,0]=4 10538 B12R1.252 C[C@@H](Cl)COCC1CCCCC1 34a_100016084084_100000211423 [0,0,0,1,0,0|2,0,1]=4 10539 B12R1.252 C[C@@H](N)CCOC1CCCCC1 34a_100000706166_100000210327 [0,0,0,1,0,0|2,0,1]=4 10540 B12R1.252 C[C@@H](N)COCC1CCCCC1 34a_100000737577_100000211423 [0,0,0,1,0,0|2,0,1]=4 10541 B12R1.252 C[C@@H](O)CNCC1CCCCC1 2230a_100000210473_100009817552 [0,0,0,1,0,0|1,0,2]=4 10542 B12R1.252 C[C@@H](O)CNCC1CCCCC1 34a_100000210473_100009817552 [0,0,0,1,0,0|1,0,2]=4 10543 B12R1.252 C[C@@H](O)COCC1CCCCC1 34a_100000212181_100009817552 [0,0,0,1,0,0|1,0,2]=4 10544 B12R1.252 C[C@@H](O)COCC1CCCCC1 7a_100000212181_100009817552 [0,0,0,1,0,0|1,0,2]=4 10545 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100000211423_100009817552 [0,0,0,1,0,0|1,0,2]=4 10546 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100009817552_100000211423 [0,0,0,1,0,0|1,0,2]=4 10547 B12R1.252 NC(=O)CCCN1CCCOC1 269982a_100000131196_100102525003 [0,0,0,1,0,0|3,0,0]=4 10548 B12R1.252 NC(=O)CCCN1CCCOC1 34a_100000131196_100102525003 [0,0,0,1,0,0|3,0,0]=4 10549 B12R1.252 NC(=O)CCCN1CCOCC1 269982a_100015191051_100102525003 [0,0,0,1,0,0|3,0,0]=4 10550 B12R1.252 NC(=O)CCCN1CCOCC1 34a_100015191051_100102525003 [0,0,0,1,0,0|3,0,0]=4 10551 B12R1.252 NC(=O)CCCN1CCSCC1 269982a_100000737611_100102525003 [0,0,0,1,0,0|3,0,0]=4 10552 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,0,0,1,0,0|2,0,0]=3 10553 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,0,0,1,0,0|2,0,0]=3 10554 B12R1.252 NC(=O)CCNC1CCCOC1 2230a_100000719290_100000744528 [0,0,0,1,0,0|3,0,0]=4 10555 B12R1.252 NC(=O)CCNC1CCCOC1 34a_100000719290_100000731001 [0,0,0,1,0,0|3,0,0]=4 10556 B12R1.252 NC(=O)CCNC1CCOCC1 2230a_100000741149_100000744528 [0,0,0,1,0,0|3,0,0]=4 10557 B12R1.252 NC(=O)CCNC1CCOCC1 34a_100000741149_100000731001 [0,0,0,1,0,0|3,0,0]=4 10558 B12R1.252 NC(=O)CCNC1CCSCC1 2230a_100000748639_100000744528 [0,0,0,1,0,0|3,0,0]=4 10559 B12R1.252 NC(=O)CCNC1CCSCC1 34a_100000748639_100000731001 [0,0,0,1,0,0|3,0,0]=4 10560 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,0,0,1,0,0|2,0,0]=3 10561 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,0,0,1,0,0|2,0,0]=3 10562 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,0,0,1,0,0|2,0,0]=3 10563 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,0,0,1,0,0|2,0,0]=3 10564 B12R1.252 NC(=O)CCOC1CCCCO1 34a_100000033831_100000731001 [0,0,0,1,0,0|3,0,0]=4 10565 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000754041_100000731001 [0,0,0,1,0,0|3,0,0]=4 10566 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000757172_100000693364 [0,0,0,1,0,0|3,0,0]=4 10567 B12R1.252 NC(=O)CCOC1CCCOC1 7a_100000757172_100000693364 [0,0,0,1,0,0|3,0,0]=4 10568 B12R1.252 NC(=O)CCOC1CCCSC1 7a_100015962668_100000744528 [0,0,0,1,0,0|3,0,0]=4 10569 B12R1.252 NC(=O)CCOC1CCOCC1 34a_100000744328_100000731001 [0,0,0,1,0,0|3,0,0]=4 10570 B12R1.252 NC(=O)CCOC1CCOCC1 7a_100000757172_100000686592 [0,0,0,1,0,0|3,0,0]=4 10571 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000731022_100000731001 [0,0,0,1,0,0|3,0,0]=4 10572 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000757172_100000069128 [0,0,0,1,0,0|3,0,0]=4 10573 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000731022_100000744528 [0,0,0,1,0,0|3,0,0]=4 10574 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000757172_100011500858 [0,0,0,1,0,0|3,0,0]=4 10575 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,0,0,1,0,0|2,0,0]=3 10576 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,0,0,1,0,0|2,0,0]=3 10577 B12R1.252 NC(=O)CCSC1CCCOC1 62a_100000744528_100000693364 [0,0,0,1,0,0|3,0,0]=4 10578 B12R1.252 NC(=O)CCSC1CCOCC1 62a_100000744528_100011324220 [0,0,0,1,0,0|3,0,0]=4 10579 B12R1.252 NC(=O)CCSC1CCSCC1 62a_100000744528_100000069128 [0,0,0,1,0,0|3,0,0]=4 10580 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,0,0,1,0,0|2,0,0]=3 10581 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,0,0,1,0,0|2,0,0]=3 10582 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,0,0,1,0,0|2,0,0]=3 10583 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000174945_100000747473 [0,0,0,1,0,0|3,0,0]=4 10584 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000711301_100000211543 [0,0,0,1,0,0|3,0,0]=4 10585 B12R1.252 NC(=O)CNCC1CCCCO1 34a_100000174945_100000187820 [0,0,0,1,0,0|3,0,0]=4 10586 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000711301_100000741521 [0,0,0,1,0,0|3,0,0]=4 10587 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000720124_100000747473 [0,0,0,1,0,0|3,0,0]=4 10588 B12R1.252 NC(=O)CNCC1CCCOC1 34a_100000720124_100000187820 [0,0,0,1,0,0|3,0,0]=4 10589 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000711301_100000754603 [0,0,0,1,0,0|3,0,0]=4 10590 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000746373_100000747473 [0,0,0,1,0,0|3,0,0]=4 10591 B12R1.252 NC(=O)CNCC1CCOCC1 34a_100000746373_100000187820 [0,0,0,1,0,0|3,0,0]=4 10592 B12R1.252 NC(=O)CNCC1CCSCC1 2230a_100015188806_100000747473 [0,0,0,1,0,0|3,0,0]=4 10593 B12R1.252 NC(=O)CNCC1CCSCC1 34a_100015188806_100000187820 [0,0,0,1,0,0|3,0,0]=4 10594 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,0,0,1,0,0|2,0,0]=3 10595 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,0,0,1,0,0|2,0,0]=3 10596 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [0,0,0,1,0,0|3,0,0]=4 10597 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [0,0,0,1,0,0|3,0,0]=4 10598 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [0,0,0,1,0,0|3,0,0]=4 10599 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [0,0,0,1,0,0|3,0,0]=4 10600 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [0,0,0,1,0,0|3,0,0]=4 10601 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [0,0,0,1,0,0|3,0,0]=4 10602 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [0,0,0,1,0,0|3,0,0]=4 10603 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [0,0,0,1,0,0|3,0,0]=4 10604 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [0,0,0,1,0,0|3,0,0]=4 10605 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,0,0,1,0,0|2,0,0]=3 10606 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,0,0,1,0,0|2,0,0]=3 10607 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000211543_100000747473 [0,0,0,1,0,0|3,0,0]=4 10608 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000747473_100000211543 [0,0,0,1,0,0|3,0,0]=4 10609 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000741521_100000747473 [0,0,0,1,0,0|3,0,0]=4 10610 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000747473_100000741521 [0,0,0,1,0,0|3,0,0]=4 10611 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000747473_100000749018 [0,0,0,1,0,0|3,0,0]=4 10612 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000754603_100000747473 [0,0,0,1,0,0|3,0,0]=4 10613 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,0,0,1,0,0|2,0,0]=3 10614 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [0,0,0,1,0,0|3,0,0]=4 10615 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [0,0,0,1,0,0|3,0,0]=4 10616 B12R1.252 O=C(O)CNCC1CCOCC1 269956a_100016091260_100000754603 [0,0,0,1,0,0|3,0,0]=4 10617 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,0,0,1,0,0|3,0,0]=4 10618 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,0,0,1,0,0|2,0,0]=3 10619 B12R1.252 O=C([O-])CNCC1CCCCO1 34a_100000174945_100020667443 [0,0,0,1,0,0|3,0,0]=4 10620 B12R1.252 O=C([O-])CNCC1CCCOC1 34a_100000720124_100020667443 [0,0,0,1,0,0|3,0,0]=4 10621 B12R1.252 O=C([O-])CNCC1CCOCC1 34a_100000746373_100020667443 [0,0,0,1,0,0|3,0,0]=4 10622 B12R1.252 O=C([O-])CNCC1CCSCC1 34a_100015188806_100020667443 [0,0,0,1,0,0|3,0,0]=4 10623 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,0,0,1,0,0|2,0,0]=3 10624 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,0,0,1,0,0|3,0,0]=4 10625 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [0,0,0,1,0,0|3,0,0]=4 10626 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [0,0,0,1,0,0|3,0,0]=4 10627 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [0,0,0,1,0,0|3,0,0]=4 10628 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [0,0,0,1,0,0|3,0,0]=4 10629 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [0,0,0,1,0,0|3,0,0]=4 10630 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [0,0,0,1,0,0|3,0,0]=4 10631 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,0,0,1,0,0|2,0,0]=3 10632 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,0,0,1,0,0|2,0,0]=3 10633 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100000211543_100020667443 [0,0,0,1,0,0|3,0,0]=4 10634 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100020667443_100000211543 [0,0,0,1,0,0|3,0,0]=4 10635 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100000741521_100020667443 [0,0,0,1,0,0|3,0,0]=4 10636 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100020667443_100000741521 [0,0,0,1,0,0|3,0,0]=4 10637 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100000754603_100020667443 [0,0,0,1,0,0|3,0,0]=4 10638 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100020667443_100000749018 [0,0,0,1,0,0|3,0,0]=4 10639 B12R1.252 O=[N+]([O-])CNCC1CCCCC1 34a_100000210473_100000761209 [0,0,0,1,0,0|3,0,0]=4 10640 B12R1.252 O=[N+]([O-])COCC1CCCCC1 34a_100000212181_100000761209 [0,0,0,1,0,0|3,0,0]=4 10641 B12R1.252 O=[N+]([O-])CSCC1CCCCC1 62a_100000211423_100000761209 [0,0,0,1,0,0|3,0,0]=4 10642 B12R1.252 [13CH3]C(=O)C=CCN1CCCCC1 1458a_100015232380_200025704644 [0,0,0,1,0,0|1,0,2]=4 10643 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,0,0,1,0,0|0,0,0]=1 10644 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,0,0,1,0,0|1,0,0]=2 10645 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,0,0,1,0,0|2,0,0]=3 10646 B12R1.255 C=C(Br)CCOCC1CCCC1 34a_100009813270_100000740388 [0,0,0,1,0,0|2,0,1]=4 10647 B12R1.255 C=C(C)CCNCC1CCCC1 2230a_100000737975_100000730704 [0,0,0,1,0,0|2,0,0]=3 10648 B12R1.255 C=C(C)CCNCC1CCCC1 34a_100000737975_100000730704 [0,0,0,1,0,0|2,0,0]=3 10649 B12R1.255 C=C(C)CCNCC1CCOC1 2230a_100000737293_100000730704 [0,0,0,1,0,0|3,0,0]=4 10650 B12R1.255 C=C(C)CCNCC1CCOC1 34a_100000737293_100000730704 [0,0,0,1,0,0|3,0,0]=4 10651 B12R1.255 C=C(C)CCNC[C@@H]1CCCO1 2230a_100020590478_100000730704 [0,0,0,1,0,0|3,0,0]=4 10652 B12R1.255 C=C(C)CCNC[C@@H]1CCCO1 34a_100020590478_100000730704 [0,0,0,1,0,0|3,0,0]=4 10653 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000742336_100000730704 [0,0,0,1,0,0|2,0,0]=3 10654 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000764851_100000740388 [0,0,0,1,0,0|2,0,0]=3 10655 B12R1.255 C=C(C)CCOCC1CCCC1 7a_100000742336_100000730704 [0,0,0,1,0,0|2,0,0]=3 10656 B12R1.255 C=C(C)CCOCC1CCCO1 34a_100000210270_100000730704 [0,0,0,1,0,0|3,0,0]=4 10657 B12R1.255 C=C(C)CCOCC1CCCO1 7a_100000210270_100000730704 [0,0,0,1,0,0|3,0,0]=4 10658 B12R1.255 C=C(C)CCOCC1CCNC1 34a_100000748654_100000730704 [0,0,0,1,0,0|3,0,0]=4 10659 B12R1.255 C=C(C)CCOCC1CCOC1 34a_100000740260_100000730704 [0,0,0,1,0,0|3,0,0]=4 10660 B12R1.255 C=C(C)CCOCC1CCOC1 34a_100000764851_100011261433 [0,0,0,1,0,0|3,0,0]=4 10661 B12R1.255 C=C(C)CCOC[C@H]1CCCN1 34a_100000745186_100000730704 [0,0,0,1,0,0|3,0,0]=4 10662 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000730704_100000740388 [0,0,0,1,0,0|2,0,0]=3 10663 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000740388_100000730704 [0,0,0,1,0,0|2,0,0]=3 10664 B12R1.255 C=C(C)CCSCC1CCCO1 62a_100000203698_100000730704 [0,0,0,1,0,0|3,0,0]=4 10665 B12R1.255 C=C(C)CCSCC1CCCO1 62a_100000730704_100000203698 [0,0,0,1,0,0|3,0,0]=4 10666 B12R1.255 C=C(C)CCSCC1CCOC1 62a_100000702531_100000730704 [0,0,0,1,0,0|3,0,0]=4 10667 B12R1.255 C=C(C)CCSCC1CCOC1 62a_100000730704_100000702531 [0,0,0,1,0,0|3,0,0]=4 10668 B12R1.255 C=C(C)CNCCC1CCCC1 2230a_100000739158_100000748629 [0,0,0,1,0,0|2,0,0]=3 10669 B12R1.255 C=C(C)CNCCC1CCCC1 34a_100000739158_100000748629 [0,0,0,1,0,0|2,0,0]=3 10670 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000210245_100000760354 [0,0,0,1,0,0|2,0,0]=3 10671 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000749090_100000748629 [0,0,0,1,0,0|2,0,0]=3 10672 B12R1.255 C=C(C)COCCC1CCCC1 7a_100000749090_100000748629 [0,0,0,1,0,0|2,0,0]=3 10673 B12R1.255 C=C(C)COCCC1CCNC1 34a_100016987287_100000748629 [0,0,0,1,0,0|3,0,0]=4 10674 B12R1.255 C=C(C)COCCC1CCOC1 34a_100011879284_100000748629 [0,0,0,1,0,0|3,0,0]=4 10675 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000748629_100000760354 [0,0,0,1,0,0|2,0,0]=3 10676 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000760354_100000211660 [0,0,0,1,0,0|2,0,0]=3 10677 B12R1.255 C=C(C)CSCCN1CCCC1 62a_100000700749_100000211660 [0,0,0,1,0,0|3,0,0]=4 10678 B12R1.255 C=C(C)CSCCN1CCCC1 62a_100000748629_100000004467 [0,0,0,1,0,0|3,0,0]=4 10679 B12R1.255 C=C(F)CNCCC1CCCC1 2230a_100000739158_100009893438 [0,0,0,1,0,0|2,0,1]=4 10680 B12R1.255 C=C(F)CNCCC1CCCC1 34a_100000739158_100009893438 [0,0,0,1,0,0|2,0,1]=4 10681 B12R1.255 C=C(F)COCCC1CCCC1 34a_100000749090_100009893438 [0,0,0,1,0,0|2,0,1]=4 10682 B12R1.255 C=C(F)COCCC1CCCC1 34a_200010262243_100000760354 [0,0,0,1,0,0|2,0,1]=4 10683 B12R1.255 C=C(F)COCCC1CCCC1 7a_100000749090_100000042424 [0,0,0,1,0,0|2,0,1]=4 10684 B12R1.255 C=C(F)CSCCC1CCCC1 62a_100000042424_100000760354 [0,0,0,1,0,0|2,0,1]=4 10685 B12R1.255 C=C(F)CSCCC1CCCC1 62a_100000760354_100000042424 [0,0,0,1,0,0|2,0,1]=4 10686 B12R1.255 CC(=CCCNC1CCCC1)C 2230a_100000211070_100011217483 [0,0,0,1,0,0|2,0,1]=4 10687 B12R1.255 CC(=CCCNC1CCCC1)C 34a_100000211070_100011217483 [0,0,0,1,0,0|2,0,1]=4 10688 B12R1.255 CC(=CCCOC1CCCC1)C 34a_100000210269_100011217483 [0,0,0,1,0,0|2,0,1]=4 10689 B12R1.255 CC(=CCCOC1CCCC1)C 7a_100000210269_100011217483 [0,0,0,1,0,0|2,0,1]=4 10690 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217020_100011217483 [0,0,0,1,0,0|2,0,1]=4 10691 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217483_100000179811 [0,0,0,1,0,0|2,0,1]=4 10692 B12R1.255 CC(=CCNCC1CCCC1)C 2230a_100000737975_100000761012 [0,0,0,1,0,0|2,0,1]=4 10693 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000718196_100000740388 [0,0,0,1,0,0|2,0,1]=4 10694 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000737975_100000761012 [0,0,0,1,0,0|2,0,1]=4 10695 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000742336_100000761012 [0,0,0,1,0,0|2,0,1]=4 10696 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000753907_100000740388 [0,0,0,1,0,0|2,0,1]=4 10697 B12R1.255 CC(=CCOCC1CCCC1)C 7a_100000742336_100000761012 [0,0,0,1,0,0|2,0,1]=4 10698 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000740388_100000761012 [0,0,0,1,0,0|2,0,1]=4 10699 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000761012_100000740388 [0,0,0,1,0,0|2,0,1]=4 10700 B12R1.255 CC(=O)CCCCC1OCCO1 1458a_100000070787_100000034956 [0,0,0,1,0,0|2,0,0]=3 10701 B12R1.255 CC(=O)CCCCN1CC=CC1 269982a_100015195280_100000735457 [0,0,0,1,0,0|1,0,2]=4 10702 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,0,0,1,0,0|1,0,0]=2 10703 B12R1.255 CC(=O)CCCCN1CCSC1 269982a_100011215254_100000735457 [0,0,0,1,0,0|2,0,0]=3 10704 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,0,0,1,0,0|2,0,0]=3 10705 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,0,0,1,0,0|1,0,0]=2 10706 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000685027 [0,0,0,1,0,0|2,0,0]=3 10707 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,0,0,1,0,0|1,0,0]=2 10708 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,0,0,1,0,0|1,0,0]=2 10709 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,0,0,1,0,0|1,0,0]=2 10710 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,0,0,1,0,0|1,0,0]=2 10711 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,0,0,1,0,0|2,0,0]=3 10712 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,0,0,1,0,0|2,0,0]=3 10713 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,0,0,1,0,0|2,0,0]=3 10714 B12R1.255 CC(=O)CCCOC1CCSC1 7a_100011232664_100011215641 [0,0,0,1,0,0|2,0,0]=3 10715 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,0,0,1,0,0|2,0,0]=3 10716 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,0,0,1,0,0|1,0,0]=2 10717 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,0,0,1,0,0|1,0,0]=2 10718 B12R1.255 CC(=O)CCCSC1CCOC1 62a_100011215641_100000690089 [0,0,0,1,0,0|2,0,0]=3 10719 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,0,0,1,0,0|1,0,0]=2 10720 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,0,0,1,0,0|1,0,0]=2 10721 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,0,0,1,0,0|1,0,0]=2 10722 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,0,0,1,0,0|2,0,0]=3 10723 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,0,0,1,0,0|2,0,0]=3 10724 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,0,0,1,0,0|2,0,0]=3 10725 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,0,0,1,0,0|2,0,0]=3 10726 B12R1.255 CC(=O)CCOCC1OCCO1 34a_100000759926_100000755774 [0,0,0,1,0,0|3,0,0]=4 10727 B12R1.255 CC(=O)CCOCC1OCCO1 7a_100000759926_100000755774 [0,0,0,1,0,0|3,0,0]=4 10728 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,0,0,1,0,0|1,0,0]=2 10729 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,0,0,1,0,0|1,0,0]=2 10730 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,0,0,1,0,0|2,0,0]=3 10731 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,0,0,1,0,0|2,0,0]=3 10732 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000053229_100000702531 [0,0,0,1,0,0|2,0,0]=3 10733 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000702531_100000053229 [0,0,0,1,0,0|2,0,0]=3 10734 B12R1.255 CC(=O)CCSCC1OCCO1 62a_100000053229_100000755774 [0,0,0,1,0,0|3,0,0]=4 10735 B12R1.255 CC(=O)CCSCC1OCCO1 62a_100000755774_100000053229 [0,0,0,1,0,0|3,0,0]=4 10736 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,0,0,1,0,0|1,0,0]=2 10737 B12R1.255 CC(=O)COCCC1OCCO1 34a_100000211253_100000740749 [0,0,0,1,0,0|3,0,0]=4 10738 B12R1.255 CC(=O)CSCCN1CCCC1 1458a_200015187850_200000210301 [0,0,0,1,0,0|2,0,0]=3 10739 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,0,0,1,0,0|1,0,0]=2 10740 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,0,0,1,0,0|1,0,0]=2 10741 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,0,0,1,0,0|1,0,0]=2 10742 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,0,0,1,0,0|1,0,0]=2 10743 B12R1.255 CC(=O)NCCCN1CCCC1 240690a_100000204695_100015343762 [0,0,0,1,0,0|2,0,0]=3 10744 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,0,0,1,0,0|2,0,0]=3 10745 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,0,0,1,0,0|2,0,0]=3 10746 B12R1.255 CC(=O)NCCNC1CCOC1 2230a_100000209853_100000731011 [0,0,0,1,0,0|3,0,0]=4 10747 B12R1.255 CC(=O)NCCN[C@@H]1CCOC1 2230a_200015188469_100000189650 [0,0,0,1,0,0|3,0,0]=4 10748 B12R1.255 CC(=O)NCCN[C@H]1CCOC1 2230a_100015188467_100000189650 [0,0,0,1,0,0|3,0,0]=4 10749 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,0,0,1,0,0|2,0,0]=3 10750 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,0,0,1,0,0|2,0,0]=3 10751 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,0,0,1,0,0|2,0,0]=3 10752 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,0,0,1,0,0|2,0,0]=3 10753 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,0,0,1,0,0|2,0,0]=3 10754 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,0,0,1,0,0|2,0,0]=3 10755 B12R1.255 CC(=O)NCCOC1CCOC1 34a_100000158858_100000690089 [0,0,0,1,0,0|3,0,0]=4 10756 B12R1.255 CC(=O)NCCOC1CCSC1 7a_100011232664_100000189650 [0,0,0,1,0,0|3,0,0]=4 10757 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,0,0,1,0,0|2,0,0]=3 10758 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,0,0,1,0,0|2,0,0]=3 10759 B12R1.255 CC(=O)NCCSC1CCOC1 62a_100000189650_100000690089 [0,0,0,1,0,0|3,0,0]=4 10760 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,0,0,1,0,0|2,0,0]=3 10761 B12R1.255 CC(=O)OCCCN1CCSC1 269982a_100011215254_100000042594 [0,0,0,1,0,0|3,0,0]=4 10762 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,0,0,1,0,0|2,0,0]=3 10763 B12R1.255 CC(=O)OCCN[C@H]1CCOC1 34a_100015188467_100009814007 [0,0,0,1,0,0|3,0,0]=4 10764 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,0,0,1,0,0|2,0,0]=3 10765 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,0,0,1,0,0|2,0,0]=3 10766 B12R1.255 CC(=O)OCCOC1CCCO1 34a_100000085407_100009814007 [0,0,0,1,0,0|3,0,0]=4 10767 B12R1.255 CC(=O)OCCOC1CCSC1 7a_100011232664_100009814007 [0,0,0,1,0,0|3,0,0]=4 10768 B12R1.255 CC(=O)OCCO[C@H]1CCOC1 34a_100000717292_100009814007 [0,0,0,1,0,0|3,0,0]=4 10769 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,0,0,1,0,0|2,0,0]=3 10770 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,0,0,1,0,0|2,0,0]=3 10771 B12R1.255 CC(=O)OCCSC1CCOC1 62a_100009814007_100000690089 [0,0,0,1,0,0|3,0,0]=4 10772 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,0,0,1,0,0|2,0,0]=3 10773 B12R1.255 CC(=O)OCNCC1CCOC1 34a_100000737293_100009813279 [0,0,0,1,0,0|3,0,0]=4 10774 B12R1.255 CC(=O)OCNC[C@@H]1CCCO1 34a_100020590478_100009813279 [0,0,0,1,0,0|3,0,0]=4 10775 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,0,0,1,0,0|2,0,0]=3 10776 B12R1.255 CC(=O)OCOCC1CCCO1 34a_100000210270_100009813279 [0,0,0,1,0,0|3,0,0]=4 10777 B12R1.255 CC(=O)OCOCC1CCNC1 34a_100000748654_100009813279 [0,0,0,1,0,0|3,0,0]=4 10778 B12R1.255 CC(=O)OCOCC1CCOC1 34a_100000740260_100009813279 [0,0,0,1,0,0|3,0,0]=4 10779 B12R1.255 CC(=O)OCOC[C@H]1CCCN1 34a_100000745186_100009813279 [0,0,0,1,0,0|3,0,0]=4 10780 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,0,0,1,0,0|2,0,0]=3 10781 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,0,0,1,0,0|2,0,0]=3 10782 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000076356_100000203698 [0,0,0,1,0,0|3,0,0]=4 10783 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000203698_100000076356 [0,0,0,1,0,0|3,0,0]=4 10784 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000076356_100000702531 [0,0,0,1,0,0|3,0,0]=4 10785 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000702531_100000076356 [0,0,0,1,0,0|3,0,0]=4 10786 B12R1.255 CC(=O)SCCCN1CCCC1 2230a_100000188435_100000038929 [0,0,0,1,0,0|2,0,0]=3 10787 B12R1.255 CC(=O)SCCCN1CCCC1 269982a_100000188435_100000038929 [0,0,0,1,0,0|2,0,0]=3 10788 B12R1.255 CC(=O)SCCCN1CCSC1 2230a_100011215254_100000038929 [0,0,0,1,0,0|3,0,0]=4 10789 B12R1.255 CC(=O)SCCCN1CCSC1 269982a_100011215254_100000038929 [0,0,0,1,0,0|3,0,0]=4 10790 B12R1.255 CC(=S)OCCCN1CCCC1 2230a_100000188435_200135323944 [0,0,0,1,0,0|2,1,0]=4 10791 B12R1.255 CC(=S)OCCCN1CCCC1 269982a_100000188435_200135323944 [0,0,0,1,0,0|2,1,0]=4 10792 B12R1.255 CC(Br)CCOCC1CCCC1 34a_100009893172_100000740388 [0,0,0,1,0,0|2,0,1]=4 10793 B12R1.255 CC(Br)COCCC1CCCC1 34a_100012180447_100000760354 [0,0,0,1,0,0|2,0,1]=4 10794 B12R1.255 CC(C)CCCCN1CCCC1 2230a_100000188435_100011216152 [0,0,0,1,0,0|2,0,1]=4 10795 B12R1.255 CC(C)CCCCN1CCCC1 269982a_100000188435_100011216152 [0,0,0,1,0,0|2,0,1]=4 10796 B12R1.255 CC(C)CCCNC1CCCC1 2230a_100000211070_100011214892 [0,0,0,1,0,0|2,0,1]=4 10797 B12R1.255 CC(C)CCCNC1CCCC1 2230a_200000737386_100000179811 [0,0,0,1,0,0|2,0,1]=4 10798 B12R1.255 CC(C)CCCNC1CCCC1 270004a_200000737386_100000210133 [0,0,0,1,0,0|2,0,1]=4 10799 B12R1.255 CC(C)CCCNC1CCCC1 34a_100000211070_100011214892 [0,0,0,1,0,0|2,0,1]=4 10800 B12R1.255 CC(C)CCCNC1CCCC1 34a_200000737386_100000179811 [0,0,0,1,0,0|2,0,1]=4 10801 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210269_100011214892 [0,0,0,1,0,0|2,0,1]=4 10802 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210774_100000179811 [0,0,0,1,0,0|2,0,1]=4 10803 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210269_100011214892 [0,0,0,1,0,0|2,0,1]=4 10804 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210774_100000179811 [0,0,0,1,0,0|2,0,1]=4 10805 B12R1.255 CC(C)CCCSC1CCCC1 62a_100011214892_100000179811 [0,0,0,1,0,0|2,0,1]=4 10806 B12R1.255 CC(C)CCCSC1CCCC1 62a_100011217020_100011214892 [0,0,0,1,0,0|2,0,1]=4 10807 B12R1.255 CC(C)CCNCC1CCCC1 2230a_100000737975_100000210312 [0,0,0,1,0,0|2,0,1]=4 10808 B12R1.255 CC(C)CCNCC1CCCC1 269862a_100000210545_100000746403 [0,0,0,1,0,0|2,0,1]=4 10809 B12R1.255 CC(C)CCNCC1CCCC1 269862a_100000737975_100000185833 [0,0,0,1,0,0|2,0,1]=4 10810 B12R1.255 CC(C)CCNCC1CCCC1 34a_100000737975_100000210312 [0,0,0,1,0,0|2,0,1]=4 10811 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000210254_100000740388 [0,0,0,1,0,0|2,0,1]=4 10812 B12R1.255 CC(C)CCOCC1CCCC1 34a_100000742336_100000210312 [0,0,0,1,0,0|2,0,1]=4 10813 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000210254_100000740388 [0,0,0,1,0,0|2,0,1]=4 10814 B12R1.255 CC(C)CCOCC1CCCC1 7a_100000742336_100000210626 [0,0,0,1,0,0|2,0,1]=4 10815 B12R1.255 CC(C)CCSCC1CCCC1 62a_100000210312_100000740388 [0,0,0,1,0,0|2,0,1]=4 10816 B12R1.255 CC(C)CCSCC1CCCC1 62a_100000740388_100000210312 [0,0,0,1,0,0|2,0,1]=4 10817 B12R1.255 CC(C)CNCCC1CCCC1 2230a_100000210953_100000760354 [0,0,0,1,0,0|2,0,1]=4 10818 B12R1.255 CC(C)CNCCC1CCCC1 2230a_100000739158_100000210760 [0,0,0,1,0,0|2,0,1]=4 10819 B12R1.255 CC(C)CNCCC1CCCC1 270004a_100000739158_100000210432 [0,0,0,1,0,0|2,0,1]=4 10820 B12R1.255 CC(C)CNCCC1CCCC1 34a_100000210953_100000760354 [0,0,0,1,0,0|2,0,1]=4 10821 B12R1.255 CC(C)CNCCC1CCCC1 34a_100000739158_100000210624 [0,0,0,1,0,0|2,0,1]=4 10822 B12R1.255 CC(C)COCCC1CCCC1 34a_100000210257_100000760354 [0,0,0,1,0,0|2,0,1]=4 10823 B12R1.255 CC(C)COCCC1CCCC1 34a_100000749090_100000210624 [0,0,0,1,0,0|2,0,1]=4 10824 B12R1.255 CC(C)COCCC1CCCC1 7a_100000749090_100000210760 [0,0,0,1,0,0|2,0,1]=4 10825 B12R1.255 CC(C)CSCCC1CCCC1 62a_100000210624_100000760354 [0,0,0,1,0,0|2,0,1]=4 10826 B12R1.255 CC(C)CSCCC1CCCC1 62a_100000760354_100000210760 [0,0,0,1,0,0|2,0,1]=4 10827 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100000736752_100000210206 [0,0,0,1,0,0|2,0,1]=4 10828 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100138425928_100011713738 [0,0,0,1,0,0|2,0,1]=4 10829 B12R1.255 CC(C)NCCCC1CCCC1 34a_100000736752_100000210206 [0,0,0,1,0,0|2,0,1]=4 10830 B12R1.255 CC(C)NCCCC1CCCC1 34a_100138425928_100011713738 [0,0,0,1,0,0|2,0,1]=4 10831 B12R1.255 CC(C)OCCCC1CCCC1 34a_100000212225_100011713738 [0,0,0,1,0,0|2,0,1]=4 10832 B12R1.255 CC(C)OCCCC1CCCC1 34a_100011215328_100000210206 [0,0,0,1,0,0|2,0,1]=4 10833 B12R1.255 CC(C)OCCCC1CCCC1 7a_100011215328_100000210206 [0,0,0,1,0,0|2,0,1]=4 10834 B12R1.255 CC(C)SCCCC1CCCC1 62a_100000210206_100011713738 [0,0,0,1,0,0|2,0,1]=4 10835 B12R1.255 CC(C)SCCCC1CCCC1 62a_100011713738_100000210206 [0,0,0,1,0,0|2,0,1]=4 10836 B12R1.255 CC(F)COCCC1CCCC1 34a_100015925927_100000760354 [0,0,0,1,0,0|2,0,1]=4 10837 B12R1.255 CC(O)CCCNC1CCCC1 2230a_100000211070_200000718107 [0,0,0,1,0,0|1,0,2]=4 10838 B12R1.255 CC(O)CCCNC1CCCC1 34a_100000211070_200000718107 [0,0,0,1,0,0|1,0,2]=4 10839 B12R1.255 CC(O)CCCOC1CCCC1 34a_100000210269_200000718107 [0,0,0,1,0,0|1,0,2]=4 10840 B12R1.255 CC(O)CCCOC1CCCC1 7a_100000210269_200000718107 [0,0,0,1,0,0|1,0,2]=4 10841 B12R1.255 CC(O)CCCSC1CCCC1 62a_100011217020_200000718107 [0,0,0,1,0,0|1,0,2]=4 10842 B12R1.255 CC(O)CCCSC1CCCC1 62a_200000718107_100000179811 [0,0,0,1,0,0|1,0,2]=4 10843 B12R1.255 CC(O)CCNCC1CCCC1 2230a_100000737975_100012276601 [0,0,0,1,0,0|1,0,2]=4 10844 B12R1.255 CC(O)CCNCC1CCCC1 2230a_200000755665_100000740388 [0,0,0,1,0,0|1,0,2]=4 10845 B12R1.255 CC(O)CCNCC1CCCC1 269862a_200000755665_100000746403 [0,0,0,1,0,0|1,0,2]=4 10846 B12R1.255 CC(O)CCNCC1CCCC1 34a_100000737975_100012276601 [0,0,0,1,0,0|1,0,2]=4 10847 B12R1.255 CC(O)CCOCC1CCCC1 34a_100000742336_100012276601 [0,0,0,1,0,0|1,0,2]=4 10848 B12R1.255 CC(O)CCOCC1CCCC1 7a_100000742336_100012276601 [0,0,0,1,0,0|1,0,2]=4 10849 B12R1.255 CC(O)CCSCC1CCCC1 62a_100000740388_100012276601 [0,0,0,1,0,0|1,0,2]=4 10850 B12R1.255 CC(O)CCSCC1CCCC1 62a_100012276601_100000740388 [0,0,0,1,0,0|1,0,2]=4 10851 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000210904_100000760354 [0,0,0,1,0,0|1,0,2]=4 10852 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000739158_100011218427 [0,0,0,1,0,0|1,0,2]=4 10853 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000210904_100000760354 [0,0,0,1,0,0|1,0,2]=4 10854 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000739158_100011218427 [0,0,0,1,0,0|1,0,2]=4 10855 B12R1.255 CC(O)COCCC1CCCC1 34a_100000749090_100011218427 [0,0,0,1,0,0|1,0,2]=4 10856 B12R1.255 CC(O)COCCC1CCCC1 7a_100000749090_100011218427 [0,0,0,1,0,0|1,0,2]=4 10857 B12R1.255 CC(O)CSCCC1CCCC1 62a_100000760354_100011218427 [0,0,0,1,0,0|1,0,2]=4 10858 B12R1.255 CC(O)CSCCC1CCCC1 62a_100011218427_100000760354 [0,0,0,1,0,0|1,0,2]=4 10859 B12R1.255 CN(C)CCCCN1CCCC1 269982a_100000188435_100000690147 [0,0,0,1,0,0|3,0,0]=4 10860 B12R1.255 CN(C)CCCNC1CCCC1 270004a_102531767803_100000210133 [0,0,0,1,0,0|3,0,0]=4 10861 B12R1.255 CN(C)CCCOC1CCCC1 7a_100000210269_100000757444 [0,0,0,1,0,0|3,0,0]=4 10862 B12R1.255 CN(C)CCCSC1CCCC1 62a_100011217020_100000757444 [0,0,0,1,0,0|3,0,0]=4 10863 B12R1.255 CN(C)CCNCC1CCCC1 269862a_100000210585_100000746403 [0,0,0,1,0,0|3,0,0]=4 10864 B12R1.255 CN(C)CCOCC1CCCC1 7a_100000742336_100000755713 [0,0,0,1,0,0|3,0,0]=4 10865 B12R1.255 CN(C)CCSCC1CCCC1 62a_100000740388_100000755713 [0,0,0,1,0,0|3,0,0]=4 10866 B12R1.255 CS(=O)CCCNC1CCCC1 2230a_200000753449_100000179811 [0,0,0,1,0,0|2,0,0]=3 10867 B12R1.255 CS(=O)CCCNC1CCCC1 270004a_200000753449_100000210133 [0,0,0,1,0,0|2,0,0]=3 10868 B12R1.255 CS(=O)CCCNC1CCOC1 2230a_200000753449_100000731011 [0,0,0,1,0,0|3,0,0]=4 10869 B12R1.255 CS(=O)CCCNC1CCOC1 270004a_200000753449_100000752484 [0,0,0,1,0,0|3,0,0]=4 10870 B12R1.255 CS(=O)CCCNC1CCSC1 270004a_200000753449_100000212027 [0,0,0,1,0,0|3,0,0]=4 10871 B12R1.255 C[C@@H](Cl)COCCC1CCCC1 34a_100016084084_100000760354 [0,0,0,1,0,0|2,0,1]=4 10872 B12R1.255 C[C@@H](N)CCOCC1CCCC1 34a_100000706166_100000740388 [0,0,0,1,0,0|2,0,1]=4 10873 B12R1.255 C[C@@H](N)COCCC1CCCC1 34a_100000737577_100000760354 [0,0,0,1,0,0|2,0,1]=4 10874 B12R1.255 C[C@@H](O)CNCCC1CCCC1 2230a_100000739158_100009817552 [0,0,0,1,0,0|1,0,2]=4 10875 B12R1.255 C[C@@H](O)CNCCC1CCCC1 34a_100000739158_100009817552 [0,0,0,1,0,0|1,0,2]=4 10876 B12R1.255 C[C@@H](O)COCCC1CCCC1 34a_100000749090_100009817552 [0,0,0,1,0,0|1,0,2]=4 10877 B12R1.255 C[C@@H](O)COCCC1CCCC1 7a_100000749090_100009817552 [0,0,0,1,0,0|1,0,2]=4 10878 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100000760354_100009817552 [0,0,0,1,0,0|1,0,2]=4 10879 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100009817552_100000760354 [0,0,0,1,0,0|1,0,2]=4 10880 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [0,0,0,1,0,0|2,0,0]=3 10881 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [0,0,0,1,0,0|2,0,0]=3 10882 B12R1.255 NC(=O)CCCNC1CCOC1 34a_100000739312_100000690089 [0,0,0,1,0,0|3,0,0]=4 10883 B12R1.255 NC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100102525003 [0,0,0,1,0,0|3,0,0]=4 10884 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,0,0,1,0,0|2,0,0]=3 10885 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,0,0,1,0,0|2,0,0]=3 10886 B12R1.255 NC(=O)CCCOC1CCCO1 34a_100000085407_100102525003 [0,0,0,1,0,0|3,0,0]=4 10887 B12R1.255 NC(=O)CCCOC1CCSC1 7a_100011232664_100102525003 [0,0,0,1,0,0|3,0,0]=4 10888 B12R1.255 NC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100102525003 [0,0,0,1,0,0|3,0,0]=4 10889 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [0,0,0,1,0,0|2,0,0]=3 10890 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [0,0,0,1,0,0|2,0,0]=3 10891 B12R1.255 NC(=O)CCCSC1CCOC1 62a_100102525003_100000690089 [0,0,0,1,0,0|3,0,0]=4 10892 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [0,0,0,1,0,0|2,0,0]=3 10893 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [0,0,0,1,0,0|2,0,0]=3 10894 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [0,0,0,1,0,0|2,0,0]=3 10895 B12R1.255 NC(=O)CCNCC1CCOC1 2230a_100000737293_100000744528 [0,0,0,1,0,0|3,0,0]=4 10896 B12R1.255 NC(=O)CCNCC1CCOC1 34a_100000737293_100000731001 [0,0,0,1,0,0|3,0,0]=4 10897 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000744528 [0,0,0,1,0,0|3,0,0]=4 10898 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000731001 [0,0,0,1,0,0|3,0,0]=4 10899 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,0,0,1,0,0|2,0,0]=3 10900 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,0,0,1,0,0|2,0,0]=3 10901 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,0,0,1,0,0|2,0,0]=3 10902 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,0,0,1,0,0|2,0,0]=3 10903 B12R1.255 NC(=O)CCOCC1CCCO1 34a_100000210270_100000731001 [0,0,0,1,0,0|3,0,0]=4 10904 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000210270_100000744528 [0,0,0,1,0,0|3,0,0]=4 10905 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000757172_100000203698 [0,0,0,1,0,0|3,0,0]=4 10906 B12R1.255 NC(=O)CCOCC1CCNC1 34a_100000748654_100000731001 [0,0,0,1,0,0|3,0,0]=4 10907 B12R1.255 NC(=O)CCOCC1CCOC1 34a_100000740260_100000731001 [0,0,0,1,0,0|3,0,0]=4 10908 B12R1.255 NC(=O)CCOCC1CCOC1 34a_100000757172_100011261433 [0,0,0,1,0,0|3,0,0]=4 10909 B12R1.255 NC(=O)CCOCC1CCOC1 7a_100000757172_100000702531 [0,0,0,1,0,0|3,0,0]=4 10910 B12R1.255 NC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000731001 [0,0,0,1,0,0|3,0,0]=4 10911 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [0,0,0,1,0,0|2,0,0]=3 10912 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [0,0,0,1,0,0|2,0,0]=3 10913 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000203698_100000744528 [0,0,0,1,0,0|3,0,0]=4 10914 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000744528_100000203698 [0,0,0,1,0,0|3,0,0]=4 10915 B12R1.255 NC(=O)CCSCC1CCOC1 62a_100000702531_100000744528 [0,0,0,1,0,0|3,0,0]=4 10916 B12R1.255 NC(=O)CCSCC1CCOC1 62a_100000744528_100000702531 [0,0,0,1,0,0|3,0,0]=4 10917 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [0,0,0,1,0,0|2,0,0]=3 10918 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [0,0,0,1,0,0|2,0,0]=3 10919 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [0,0,0,1,0,0|2,0,0]=3 10920 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,0,0,1,0,0|2,0,0]=3 10921 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,0,0,1,0,0|2,0,0]=3 10922 B12R1.255 NC(=O)COCCC1CCNC1 34a_100016987287_100000187820 [0,0,0,1,0,0|3,0,0]=4 10923 B12R1.255 NC(=O)COCCC1CCOC1 34a_100011879284_100000187820 [0,0,0,1,0,0|3,0,0]=4 10924 B12R1.255 NC(=O)COCCN1CCCC1 2230a_100000188435_100000076697 [0,0,0,1,0,0|3,0,0]=4 10925 B12R1.255 NC(=O)COCCN1CCCC1 269982a_100000188435_100000076697 [0,0,0,1,0,0|3,0,0]=4 10926 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [0,0,0,1,0,0|2,0,0]=3 10927 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [0,0,0,1,0,0|2,0,0]=3 10928 B12R1.255 NC(=O)CSCCN1CCCC1 62a_100000700749_100000747473 [0,0,0,1,0,0|3,0,0]=4 10929 B12R1.255 NC(=O)CSCCN1CCCC1 62a_100000747473_100000004467 [0,0,0,1,0,0|3,0,0]=4 10930 B12R1.255 NC(=O)NCCNC1CCCC1 2230a_100000211070_200000034859 [0,0,0,1,0,0|3,0,0]=4 10931 B12R1.255 NC(=O)NCCNC1CCCC1 34a_100020590234_100000179811 [0,0,0,1,0,0|3,0,0]=4 10932 B12R1.255 NC(=O)NCCOC1CCCC1 34a_100000181757_100000179811 [0,0,0,1,0,0|3,0,0]=4 10933 B12R1.255 NC(=O)NCCOC1CCCC1 7a_100000210269_200000034859 [0,0,0,1,0,0|3,0,0]=4 10934 B12R1.255 NC(=O)NCCSC1CCCC1 62a_100011217020_200000034859 [0,0,0,1,0,0|3,0,0]=4 10935 B12R1.255 NC(=O)NCCSC1CCCC1 62a_200000034859_100000179811 [0,0,0,1,0,0|3,0,0]=4 10936 B12R1.255 NC(=O)OCCNC1CCCC1 34a_100000211070_200011214921 [0,0,0,1,0,0|3,0,0]=4 10937 B12R1.255 NC(=O)OCCOC1CCCC1 34a_100000210269_200011214921 [0,0,0,1,0,0|3,0,0]=4 10938 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000210269_200011214921 [0,0,0,1,0,0|3,0,0]=4 10939 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000766696_100000179811 [0,0,0,1,0,0|3,0,0]=4 10940 B12R1.255 NC(=O)OCCSC1CCCC1 62a_100011217020_200011214921 [0,0,0,1,0,0|3,0,0]=4 10941 B12R1.255 NC(=O)OCCSC1CCCC1 62a_200011214921_100000179811 [0,0,0,1,0,0|3,0,0]=4 10942 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,0,1,0,0|2,0,0]=3 10943 B12R1.255 O=C(O)CNCCN1CCCC1 269956a_100016091260_100000004467 [0,0,0,1,0,0|3,0,0]=4 10944 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,0,0,1,0,0|3,0,0]=4 10945 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [0,0,0,1,0,0|2,0,0]=3 10946 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,0,0,1,0,0|2,0,0]=3 10947 B12R1.255 O=C([O-])COCCC1CCNC1 34a_100016987287_100020667443 [0,0,0,1,0,0|3,0,0]=4 10948 B12R1.255 O=C([O-])COCCC1CCOC1 34a_100011879284_100020667443 [0,0,0,1,0,0|3,0,0]=4 10949 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [0,0,0,1,0,0|2,0,0]=3 10950 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [0,0,0,1,0,0|2,0,0]=3 10951 B12R1.255 O=C([O-])CSCCN1CCCC1 62a_100000700749_100020667443 [0,0,0,1,0,0|3,0,0]=4 10952 B12R1.255 O=C([O-])CSCCN1CCCC1 62a_100020667443_100000004467 [0,0,0,1,0,0|3,0,0]=4 10953 B12R1.255 O=[N+]([O-])CCCOC1CCCC1 34a_200000037920_100000179811 [0,0,0,1,0,0|3,0,0]=4 10954 B12R1.255 O=[N+]([O-])CNCCC1CCCC1 34a_100000739158_100000761209 [0,0,0,1,0,0|3,0,0]=4 10955 B12R1.255 O=[N+]([O-])COCCC1CCCC1 34a_100000749090_100000761209 [0,0,0,1,0,0|3,0,0]=4 10956 B12R1.255 O=[N+]([O-])CSCCC1CCCC1 62a_100000760354_100000761209 [0,0,0,1,0,0|3,0,0]=4 10957 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,0,0,1,0,0|2,0,0]=3 10958 B12R1.255 [13CH3]C(=O)CSCCN1CCCC1 1458a_200015187850_200025704644 [0,0,0,1,0,0|2,0,0]=3 10959 B12R1.257 C=C(C)CCOCCC1COC1 34a_100009855314_100000730704 [0,0,0,1,0,0|3,0,0]=4 10960 B12R1.257 CC(=CCCNCC1CCC1)C 2230a_100000738700_100011217483 [0,0,0,1,0,0|2,0,1]=4 10961 B12R1.257 CC(=CCCNCC1CCC1)C 34a_100000738700_100011217483 [0,0,0,1,0,0|2,0,1]=4 10962 B12R1.257 CC(=CCCOCC1CCC1)C 34a_100000760304_100011217483 [0,0,0,1,0,0|2,0,1]=4 10963 B12R1.257 CC(=CCCSCC1CCC1)C 62a_100000763275_100011217483 [0,0,0,1,0,0|2,0,1]=4 10964 B12R1.257 CC(=CCCSCC1CCC1)C 62a_100011217483_100000763275 [0,0,0,1,0,0|2,0,1]=4 10965 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,0,0,1,0,0|1,0,0]=2 10966 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,0,0,1,0,0|1,0,0]=2 10967 B12R1.257 CC(=O)CCCCOC1CSC1 7a_100000072292_100000735457 [0,0,0,1,0,0|2,0,0]=3 10968 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,0,0,1,0,0|1,0,0]=2 10969 B12R1.257 CC(=O)CCCCSC1COC1 62a_100000735457_100009818527 [0,0,0,1,0,0|2,0,0]=3 10970 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,0,0,1,0,0|1,0,0]=2 10971 B12R1.257 CC(=O)CCCNCC1COC1 34a_100015281925_100000685027 [0,0,0,1,0,0|2,0,0]=3 10972 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000685027 [0,0,0,1,0,0|2,0,0]=3 10973 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,0,0,1,0,0|1,0,0]=2 10974 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,0,0,1,0,0|1,0,0]=2 10975 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,0,0,1,0,0|1,0,0]=2 10976 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,0,0,1,0,0|2,0,0]=3 10977 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,0,0,1,0,0|2,0,0]=3 10978 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,0,0,1,0,0|2,0,0]=3 10979 B12R1.257 CC(=O)CCCOCC1CNC1 34a_100016987283_100000685027 [0,0,0,1,0,0|2,0,0]=3 10980 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000060846_100000685027 [0,0,0,1,0,0|2,0,0]=3 10981 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000759063_100010264016 [0,0,0,1,0,0|2,0,0]=3 10982 B12R1.257 CC(=O)CCCOCC1COC1 7a_100000759063_100010264016 [0,0,0,1,0,0|2,0,0]=3 10983 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,0,0,1,0,0|1,0,0]=2 10984 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,0,0,1,0,0|1,0,0]=2 10985 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100000103362_100011215641 [0,0,0,1,0,0|2,0,0]=3 10986 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100011215641_100000103362 [0,0,0,1,0,0|2,0,0]=3 10987 B12R1.257 CC(=O)CCCSCC1COC1 62a_100010264016_100011215641 [0,0,0,1,0,0|2,0,0]=3 10988 B12R1.257 CC(=O)CCCSCC1COC1 62a_100011215641_100010264016 [0,0,0,1,0,0|2,0,0]=3 10989 B12R1.257 CC(=O)NCCCNC1CCC1 270004a_100000736810_100000241760 [0,0,0,1,0,0|2,0,0]=3 10990 B12R1.257 CC(=O)NCCCNC1CCC1 34a_100000736810_100000749161 [0,0,0,1,0,0|2,0,0]=3 10991 B12R1.257 CC(=O)NCCCNC1COC1 34a_100000736810_100009818527 [0,0,0,1,0,0|3,0,0]=4 10992 B12R1.257 CC(=O)NCCCOC1CCC1 34a_100000752032_100000749161 [0,0,0,1,0,0|2,0,0]=3 10993 B12R1.257 CC(=O)NCCCOC1COC1 34a_100000752032_100009818527 [0,0,0,1,0,0|3,0,0]=4 10994 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000209853_100000763275 [0,0,0,1,0,0|2,0,0]=3 10995 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000738700_100000189650 [0,0,0,1,0,0|2,0,0]=3 10996 B12R1.257 CC(=O)NCCNCC1CCC1 269862a_100000209853_100000753134 [0,0,0,1,0,0|2,0,0]=3 10997 B12R1.257 CC(=O)NCCNCC1CCO1 2230a_100000209853_100000103362 [0,0,0,1,0,0|3,0,0]=4 10998 B12R1.257 CC(=O)NCCNCC1COC1 2230a_100000209853_100010264016 [0,0,0,1,0,0|3,0,0]=4 10999 B12R1.257 CC(=O)NCCNCC1COC1 2230a_100015281925_100000189650 [0,0,0,1,0,0|3,0,0]=4 11000 B12R1.257 CC(=O)NCCNC[C@@H]1CCO1 2230a_100020831831_100000189650 [0,0,0,1,0,0|3,0,0]=4 11001 B12R1.257 CC(=O)NCCOCC1CCC1 34a_100000158858_100000763275 [0,0,0,1,0,0|2,0,0]=3 11002 B12R1.257 CC(=O)NCCOCC1CCO1 34a_100000158858_100000103362 [0,0,0,1,0,0|3,0,0]=4 11003 B12R1.257 CC(=O)NCCOCC1COC1 34a_100000158858_100010264016 [0,0,0,1,0,0|3,0,0]=4 11004 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000189650_100000763275 [0,0,0,1,0,0|2,0,0]=3 11005 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000763275_100000189650 [0,0,0,1,0,0|2,0,0]=3 11006 B12R1.257 CC(=O)NCCSCC1CCO1 62a_100000103362_100000189650 [0,0,0,1,0,0|3,0,0]=4 11007 B12R1.257 CC(=O)NCCSCC1CCO1 62a_100000189650_100000103362 [0,0,0,1,0,0|3,0,0]=4 11008 B12R1.257 CC(=O)NCCSCC1COC1 62a_100000189650_100010264016 [0,0,0,1,0,0|3,0,0]=4 11009 B12R1.257 CC(=O)NCCSCC1COC1 62a_100010264016_100000189650 [0,0,0,1,0,0|3,0,0]=4 11010 B12R1.257 CC(=O)OCCCCN1CCC1 269982a_100000754969_100000033659 [0,0,0,1,0,0|2,0,0]=3 11011 B12R1.257 CC(=O)OCCCNC1CCC1 34a_100000749019_100000042594 [0,0,0,1,0,0|2,0,0]=3 11012 B12R1.257 CC(=O)OCCCOC1CCC1 34a_100000748187_100000042594 [0,0,0,1,0,0|2,0,0]=3 11013 B12R1.257 CC(=O)OCCCOC1CSC1 7a_100000072292_100000042594 [0,0,0,1,0,0|3,0,0]=4 11014 B12R1.257 CC(=O)OCCCSC1CCC1 62a_100000042594_100000749161 [0,0,0,1,0,0|2,0,0]=3 11015 B12R1.257 CC(=O)OCCCSC1COC1 62a_100000042594_100009818527 [0,0,0,1,0,0|3,0,0]=4 11016 B12R1.257 CC(=O)OCCNCC1CCC1 34a_100000738700_100009814007 [0,0,0,1,0,0|2,0,0]=3 11017 B12R1.257 CC(=O)OCCNCC1COC1 34a_100015281925_100009814007 [0,0,0,1,0,0|3,0,0]=4 11018 B12R1.257 CC(=O)OCCNC[C@@H]1CCO1 34a_100020831831_100009814007 [0,0,0,1,0,0|3,0,0]=4 11019 B12R1.257 CC(=O)OCCOCC1CCC1 34a_100000760304_100009814007 [0,0,0,1,0,0|2,0,0]=3 11020 B12R1.257 CC(=O)OCCOCC1CCO1 34a_100000039022_100009814007 [0,0,0,1,0,0|3,0,0]=4 11021 B12R1.257 CC(=O)OCCOCC1CNC1 34a_100016987283_100009814007 [0,0,0,1,0,0|3,0,0]=4 11022 B12R1.257 CC(=O)OCCOCC1COC1 34a_100000060846_100009814007 [0,0,0,1,0,0|3,0,0]=4 11023 B12R1.257 CC(=O)OCCOCN1CCC1 269982a_100000754969_100000076355 [0,0,0,1,0,0|3,0,0]=4 11024 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100000763275_100009814007 [0,0,0,1,0,0|2,0,0]=3 11025 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100009814007_100000763275 [0,0,0,1,0,0|2,0,0]=3 11026 B12R1.257 CC(=O)OCCSCC1CCO1 62a_100000103362_100009814007 [0,0,0,1,0,0|3,0,0]=4 11027 B12R1.257 CC(=O)OCCSCC1CCO1 62a_100009814007_100000103362 [0,0,0,1,0,0|3,0,0]=4 11028 B12R1.257 CC(=O)OCCSCC1COC1 62a_100009814007_100010264016 [0,0,0,1,0,0|3,0,0]=4 11029 B12R1.257 CC(=O)OCCSCC1COC1 62a_100010264016_100009814007 [0,0,0,1,0,0|3,0,0]=4 11030 B12R1.257 CC(=O)OCOCCC1COC1 34a_100009855314_100009813279 [0,0,0,1,0,0|3,0,0]=4 11031 B12R1.257 CC(=O)SCCCCN1CCC1 269982a_100000754969_200010402107 [0,0,0,1,0,0|2,0,0]=3 11032 B12R1.257 CC(=O)SCCCNC1CCC1 2230a_100000749019_100000038929 [0,0,0,1,0,0|2,0,0]=3 11033 B12R1.257 CC(=O)SCCCNC1CCC1 34a_100000749019_100000038929 [0,0,0,1,0,0|2,0,0]=3 11034 B12R1.257 CC(=O)SCCCNC1COC1 2230a_100016991112_100000038929 [0,0,0,1,0,0|3,0,0]=4 11035 B12R1.257 CC(=O)SCCCOC1CCC1 34a_100000748187_100000038929 [0,0,0,1,0,0|2,0,0]=3 11036 B12R1.257 CC(=O)SCCCOC1CSC1 7a_100000072292_100000038929 [0,0,0,1,0,0|3,0,0]=4 11037 B12R1.257 CC(=O)SCCCSC1CCC1 62a_100000038929_100000749161 [0,0,0,1,0,0|2,0,0]=3 11038 B12R1.257 CC(=O)SCCCSC1COC1 62a_100000038929_100009818527 [0,0,0,1,0,0|3,0,0]=4 11039 B12R1.257 CC(=O)SCCNCC1CCC1 269862a_100020647217_100000753134 [0,0,0,1,0,0|2,0,0]=3 11040 B12R1.257 CC(=S)OCCCNC1CCC1 2230a_100000749019_200135323944 [0,0,0,1,0,0|2,1,0]=4 11041 B12R1.257 CC(=S)OCCCNC1CCC1 34a_100000749019_200135323944 [0,0,0,1,0,0|2,1,0]=4 11042 B12R1.257 CC(=S)OCCCOC1CCC1 34a_100000748187_200135323944 [0,0,0,1,0,0|2,1,0]=4 11043 B12R1.257 CC(=S)OCCCSC1CCC1 62a_200135323944_100000749161 [0,0,0,1,0,0|2,1,0]=4 11044 B12R1.257 CC(C)CCCCCN1CCC1 269982a_100000754969_100000210682 [0,0,0,1,0,0|2,0,1]=4 11045 B12R1.257 CC(C)CCCCNC1CCC1 2230a_100000749019_100011216152 [0,0,0,1,0,0|2,0,1]=4 11046 B12R1.257 CC(C)CCCCNC1CCC1 34a_100000749019_100011216152 [0,0,0,1,0,0|2,0,1]=4 11047 B12R1.257 CC(C)CCCCOC1CCC1 34a_100000748187_100011216152 [0,0,0,1,0,0|2,0,1]=4 11048 B12R1.257 CC(C)CCCCOC1CCC1 34a_100011214890_100000749161 [0,0,0,1,0,0|2,0,1]=4 11049 B12R1.257 CC(C)CCCCSC1CCC1 62a_100011216152_100000749161 [0,0,0,1,0,0|2,0,1]=4 11050 B12R1.257 CC(C)CCCNCC1CCC1 2230a_100000738700_100011214892 [0,0,0,1,0,0|2,0,1]=4 11051 B12R1.257 CC(C)CCCNCC1CCC1 2230a_200000737386_100000763275 [0,0,0,1,0,0|2,0,1]=4 11052 B12R1.257 CC(C)CCCNCC1CCC1 269862a_200000737386_100000753134 [0,0,0,1,0,0|2,0,1]=4 11053 B12R1.257 CC(C)CCCNCC1CCC1 34a_100000738700_100011214892 [0,0,0,1,0,0|2,0,1]=4 11054 B12R1.257 CC(C)CCCNCC1CCC1 34a_200000737386_100000763275 [0,0,0,1,0,0|2,0,1]=4 11055 B12R1.257 CC(C)CCCOCC1CCC1 34a_100000210774_100000763275 [0,0,0,1,0,0|2,0,1]=4 11056 B12R1.257 CC(C)CCCOCC1CCC1 34a_100000760304_100011214892 [0,0,0,1,0,0|2,0,1]=4 11057 B12R1.257 CC(C)CCCOCC1CCC1 7a_100000210774_100000763275 [0,0,0,1,0,0|2,0,1]=4 11058 B12R1.257 CC(C)CCCSCC1CCC1 62a_100000763275_100011214892 [0,0,0,1,0,0|2,0,1]=4 11059 B12R1.257 CC(C)CCCSCC1CCC1 62a_100011214892_100000763275 [0,0,0,1,0,0|2,0,1]=4 11060 B12R1.257 CC(O)CCCNCC1CCC1 2230a_100000738700_200000718107 [0,0,0,1,0,0|1,0,2]=4 11061 B12R1.257 CC(O)CCCNCC1CCC1 34a_100000738700_200000718107 [0,0,0,1,0,0|1,0,2]=4 11062 B12R1.257 CC(O)CCCOCC1CCC1 34a_100000760304_200000718107 [0,0,0,1,0,0|1,0,2]=4 11063 B12R1.257 CC(O)CCCSCC1CCC1 62a_100000763275_200000718107 [0,0,0,1,0,0|1,0,2]=4 11064 B12R1.257 CC(O)CCCSCC1CCC1 62a_200000718107_100000763275 [0,0,0,1,0,0|1,0,2]=4 11065 B12R1.257 CN(C)CCCNCC1CCC1 269862a_102531767803_100000753134 [0,0,0,1,0,0|3,0,0]=4 11066 B12R1.257 CN(C)CCCSCC1CCC1 62a_100000763275_100000757444 [0,0,0,1,0,0|3,0,0]=4 11067 B12R1.257 CS(=O)CCCNCC1CCC1 2230a_200000753449_100000763275 [0,0,0,1,0,0|2,0,0]=3 11068 B12R1.257 CS(=O)CCCNCC1CCO1 2230a_200000753449_100000103362 [0,0,0,1,0,0|3,0,0]=4 11069 B12R1.257 CS(=O)CCCNCC1COC1 2230a_200000753449_100010264016 [0,0,0,1,0,0|3,0,0]=4 11070 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [0,0,0,1,0,0|2,0,0]=3 11071 B12R1.257 NC(=O)CCCCNC1CCC1 270004a_100000696515_100000241760 [0,0,0,1,0,0|2,0,0]=3 11072 B12R1.257 NC(=O)CCCCNC1CCC1 34a_100000696515_100000749161 [0,0,0,1,0,0|2,0,0]=3 11073 B12R1.257 NC(=O)CCCCNC1COC1 34a_100000696515_100009818527 [0,0,0,1,0,0|3,0,0]=4 11074 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [0,0,0,1,0,0|2,0,0]=3 11075 B12R1.257 NC(=O)CCCCOC1COC1 34a_100012022536_100009818527 [0,0,0,1,0,0|3,0,0]=4 11076 B12R1.257 NC(=O)CCCCOC1COC1 7a_100012022536_100009818527 [0,0,0,1,0,0|3,0,0]=4 11077 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [0,0,0,1,0,0|2,0,0]=3 11078 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [0,0,0,1,0,0|2,0,0]=3 11079 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [0,0,0,1,0,0|2,0,0]=3 11080 B12R1.257 NC(=O)CCCNCC1CCO1 34a_100000739312_100000103362 [0,0,0,1,0,0|3,0,0]=4 11081 B12R1.257 NC(=O)CCCNCC1COC1 34a_100000739312_100010264016 [0,0,0,1,0,0|3,0,0]=4 11082 B12R1.257 NC(=O)CCCNCC1COC1 34a_100015281925_100102525003 [0,0,0,1,0,0|3,0,0]=4 11083 B12R1.257 NC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100102525003 [0,0,0,1,0,0|3,0,0]=4 11084 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,0,0,1,0,0|2,0,0]=3 11085 B12R1.257 NC(=O)CCCOCC1CCO1 34a_100000039022_100102525003 [0,0,0,1,0,0|3,0,0]=4 11086 B12R1.257 NC(=O)CCCOCC1CNC1 34a_100016987283_100102525003 [0,0,0,1,0,0|3,0,0]=4 11087 B12R1.257 NC(=O)CCCOCC1COC1 34a_100000060846_100102525003 [0,0,0,1,0,0|3,0,0]=4 11088 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [0,0,0,1,0,0|2,0,0]=3 11089 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [0,0,0,1,0,0|2,0,0]=3 11090 B12R1.257 NC(=O)CCCSCC1CCO1 62a_100000103362_100102525003 [0,0,0,1,0,0|3,0,0]=4 11091 B12R1.257 NC(=O)CCCSCC1CCO1 62a_100102525003_100000103362 [0,0,0,1,0,0|3,0,0]=4 11092 B12R1.257 NC(=O)CCCSCC1COC1 62a_100010264016_100102525003 [0,0,0,1,0,0|3,0,0]=4 11093 B12R1.257 NC(=O)CCCSCC1COC1 62a_100102525003_100010264016 [0,0,0,1,0,0|3,0,0]=4 11094 B12R1.257 NC(=O)CCOCCC1COC1 34a_100009855314_100000731001 [0,0,0,1,0,0|3,0,0]=4 11095 B12R1.257 NC(=O)COCCNC1CCC1 2230a_100000749019_100000076697 [0,0,0,1,0,0|3,0,0]=4 11096 B12R1.257 NC(=O)COCCNC1CCC1 34a_100000749019_100000076697 [0,0,0,1,0,0|3,0,0]=4 11097 B12R1.257 NC(=O)COCCOC1CCC1 34a_100000748187_100000076697 [0,0,0,1,0,0|3,0,0]=4 11098 B12R1.257 NC(=O)COCCSC1CCC1 62a_100000076697_100000749161 [0,0,0,1,0,0|3,0,0]=4 11099 B12R1.257 NC(=O)NCCNCC1CCC1 2230a_100000738700_200000034859 [0,0,0,1,0,0|3,0,0]=4 11100 B12R1.257 NC(=O)NCCNCC1CCC1 269862a_100020590234_100000753134 [0,0,0,1,0,0|3,0,0]=4 11101 B12R1.257 NC(=O)NCCNCC1CCC1 34a_100020590234_100000763275 [0,0,0,1,0,0|3,0,0]=4 11102 B12R1.257 NC(=O)NCCOCC1CCC1 34a_100000181757_100000763275 [0,0,0,1,0,0|3,0,0]=4 11103 B12R1.257 NC(=O)NCCSCC1CCC1 62a_100000763275_200000034859 [0,0,0,1,0,0|3,0,0]=4 11104 B12R1.257 NC(=O)NCCSCC1CCC1 62a_200000034859_100000763275 [0,0,0,1,0,0|3,0,0]=4 11105 B12R1.257 NC(=O)OCCNCC1CCC1 34a_100000738700_200011214921 [0,0,0,1,0,0|3,0,0]=4 11106 B12R1.257 NC(=O)OCCOCC1CCC1 34a_100000760304_200011214921 [0,0,0,1,0,0|3,0,0]=4 11107 B12R1.257 NC(=O)OCCOCC1CCC1 7a_100000766696_100000763275 [0,0,0,1,0,0|3,0,0]=4 11108 B12R1.257 NC(=O)OCCSCC1CCC1 62a_100000763275_200011214921 [0,0,0,1,0,0|3,0,0]=4 11109 B12R1.257 NC(=O)OCCSCC1CCC1 62a_200011214921_100000763275 [0,0,0,1,0,0|3,0,0]=4 11110 B12R1.257 O=C(O)COCCNC1CCC1 269956a_100000700818_100000749161 [0,0,0,1,0,0|3,0,0]=4 11111 B12R1.257 O=[N+]([O-])CCCCOC1CCC1 34a_200015379883_100000749161 [0,0,0,1,0,0|3,0,0]=4 11112 B12R1.257 O=[N+]([O-])CCCOCC1CCC1 34a_200000037920_100000763275 [0,0,0,1,0,0|3,0,0]=4 11113 B12R1.271 CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210681 [0,0,0,1,0,0|2,0,1]=4 11114 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210681 [0,0,0,1,0,0|2,0,1]=4 11115 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210614 [0,0,0,1,0,0|2,0,1]=4 11116 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [0,0,0,1,0,0|2,0,1]=4 11117 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [0,0,0,1,0,0|2,0,1]=4 11118 B12R1.283 CC(=O)N1CCCCC1CC#N 11a_100000133382_100015343762 [0,0,0,1,0,0|2,0,1]=4 11119 B12R1.283 CC(=O)N1CCCCC1CC#N 1626a_100000133382_100015343762 [0,0,0,1,0,0|2,0,1]=4 11120 B12R1.283 CC(=O)N1CCCCC1CC#N 240690a_100000133382_100015343762 [0,0,0,1,0,0|2,0,1]=4 11121 B12R1.283 CC(=O)N1CCCCC1CC#N 527a_100000133382_100103153847 [0,0,0,1,0,0|2,0,1]=4 11122 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,0,0,1,0,0|2,0,0]=3 11123 B12R1.283 CCCC1CCCCC1N(C)C 270004a_100102631434_100011218038 [0,0,0,1,0,0|2,0,0]=3 11124 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,0,0,1,0,0|1,0,0]=2 11125 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,0,0,1,0,0|1,0,0]=2 11126 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,0,0,1,0,0|1,0,0]=2 11127 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,0,0,1,0,0|1,0,0]=2 11128 B12R1.283 CCCC1CCCCN1C(C)C 2230a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 11129 B12R1.283 CCCC1CCCCN1C(C)C 269982a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 11130 B12R1.283 CCCC1CCCCN1C(C)C 34a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 11131 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,0,0,1,0,0|2,0,0]=3 11132 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,0,0,1,0,0|2,0,0]=3 11133 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,0,0,1,0,0|2,0,0]=3 11134 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,0,0,1,0,0|2,0,0]=3 11135 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [0,0,0,1,0,0|1,0,0]=2 11136 B12R1.283 CCCN1CCCCC1C(=O)N 2230a_100000181395_100000210303 [0,0,0,1,0,0|2,0,0]=3 11137 B12R1.283 CCCN1CCCCC1C(=O)N 269982a_100000181395_100000210303 [0,0,0,1,0,0|2,0,0]=3 11138 B12R1.283 CCCN1CCCCC1C(=O)N 34a_100000181395_100000210303 [0,0,0,1,0,0|2,0,0]=3 11139 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [0,0,0,1,0,0|1,0,0]=2 11140 B12R1.283 CCCN1CCCCC1C(C)C 2230a_100000757267_100000210303 [0,0,0,1,0,0|2,0,1]=4 11141 B12R1.283 CCCN1CCCCC1C(C)C 269982a_100000757267_100000210303 [0,0,0,1,0,0|2,0,1]=4 11142 B12R1.283 CCCN1CCCCC1C(C)C 34a_100000757267_100000210303 [0,0,0,1,0,0|2,0,1]=4 11143 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,0,0,1,0,0|2,0,0]=3 11144 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210207 [0,0,0,1,0,0|3,0,0]=4 11145 B12R1.283 CCCN1CCSCC1C(=O)O 269956a_100011346106_100000210207 [0,0,0,1,0,0|3,0,0]=4 11146 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [0,0,0,1,0,0|3,0,0]=4 11147 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,0,0,1,0,0|2,0,0]=3 11148 B12R1.283 CCOC1CCCCC1C(C)C 34a_100011709184_100000210202 [0,0,0,1,0,0|2,0,1]=4 11149 B12R1.283 CCOC1CCCCC1C(C)C 7a_100011709184_100000210202 [0,0,0,1,0,0|2,0,1]=4 11150 B12R1.283 CCOC1CCCCC1N(C)C 270004a_100102631434_200000031474 [0,0,0,1,0,0|3,0,0]=4 11151 B12R1.283 COCC1CCCCN1C(=O)C 11a_100015184032_100015343762 [0,0,0,1,0,0|2,0,0]=3 11152 B12R1.283 COCC1CCCCN1C(=O)C 1626a_100015184032_100015343762 [0,0,0,1,0,0|2,0,0]=3 11153 B12R1.283 COCC1CCCCN1C(=O)C 240690a_100015184032_100015343762 [0,0,0,1,0,0|2,0,0]=3 11154 B12R1.283 COCC1CCCCN1C(=O)C 527a_100015184032_100103153847 [0,0,0,1,0,0|2,0,0]=3 11155 B12R1.283 COCN1CCCCC1C(=O)N 2230a_100000181395_100000766300 [0,0,0,1,0,0|3,0,0]=4 11156 B12R1.283 COCN1CCCCC1C(=O)N 269982a_100000181395_100000766300 [0,0,0,1,0,0|3,0,0]=4 11157 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [0,0,0,1,0,0|3,0,0]=4 11158 B12R1.283 COC[C@H]1COCCN1C(=O)C 11a_100016989928_100015343762 [0,0,0,1,0,0|3,0,0]=4 11159 B12R1.283 COC[C@H]1COCCN1C(=O)C 1626a_100016989928_100015343762 [0,0,0,1,0,0|3,0,0]=4 11160 B12R1.283 COC[C@H]1COCCN1C(=O)C 240690a_100016989928_100015343762 [0,0,0,1,0,0|3,0,0]=4 11161 B12R1.283 COC[C@H]1COCCN1C(=O)C 527a_100016989928_100103153847 [0,0,0,1,0,0|3,0,0]=4 11162 B12R1.283 CSCN1CCCCC1C(=O)N 2230a_100000181395_100011218213 [0,0,0,1,0,0|3,0,0]=4 11163 B12R1.283 CSCN1CCCCC1C(=O)N 269982a_100000181395_100011218213 [0,0,0,1,0,0|3,0,0]=4 11164 B12R1.283 CSCN1CCCCC1C(=O)N 34a_100000181395_100011218213 [0,0,0,1,0,0|3,0,0]=4 11165 B12R1.283 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B12R1.289 C=C(C)CN1CCC[C@H]1COC 269982a_100020646714_100000748629 [0,0,0,1,0,0|3,0,0]=4 11177 B12R1.289 C=C(C)CN1CCC[C@H]1COC 34a_100020646714_100000748629 [0,0,0,1,0,0|3,0,0]=4 11178 B12R1.289 CCCN1CCCC1CC(C)C 2230a_100000748429_100000210303 [0,0,0,1,0,0|2,0,1]=4 11179 B12R1.289 CCCN1CCCC1CC(C)C 269982a_100000748429_100000210303 [0,0,0,1,0,0|2,0,1]=4 11180 B12R1.289 CCCN1CCCC1CC(C)C 34a_100000748429_100000210303 [0,0,0,1,0,0|2,0,1]=4 11181 B12R1.289 CCCN1CCC[C@@H]1CN(C)C 269982a_200020645772_100000210303 [0,0,0,1,0,0|3,0,0]=4 11182 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 2230a_100020646714_100000747473 [0,0,0,1,0,0|3,0,0]=4 11183 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 269982a_100020646714_100000187820 [0,0,0,1,0,0|3,0,0]=4 11184 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 34a_100020646714_100000187820 [0,0,0,1,0,0|3,0,0]=4 11185 B12R1.289 COC[C@@H]1CCCN1CC(=O)[O-] 269982a_100020646714_100020667443 [0,0,0,1,0,0|3,0,0]=4 11186 B12R1.289 COC[C@@H]1CCCN1CC(=O)[O-] 34a_100020646714_100020667443 [0,0,0,1,0,0|3,0,0]=4 11187 B12R1.321 CCCCN1CCCCC(C1)O 2230a_100025706797_100000210211 [0,0,0,1,0,0|1,0,2]=4 11188 B12R1.321 CCCCN1CCCCC(C1)O 269982a_100025706797_100000210211 [0,0,0,1,0,0|1,0,2]=4 11189 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,0,0,1,0,0|2,0,0]=3 11190 B12R1.321 COCCN1CCCNC(=O)C1 2230a_100015190381_100011201679 [0,0,0,1,0,0|3,0,0]=4 11191 B12R1.321 CSCCN1CCCNC(=O)C1 2230a_100015190381_100000751147 [0,0,0,1,0,0|3,0,0]=4 11192 B12R1.321 O=C1CN(CCCN1)CCCF 2230a_100015190381_100011934791 [0,0,0,1,0,0|3,0,0]=4 11193 B12R1.321 O=C1CN(CCCN1)CCCO 2230a_100015190381_100000230001 [0,0,0,1,0,0|3,0,0]=4 11194 B12R1.375 CCCCCCCCNC1CC1 34a_100000212008_100000210759 [0,0,0,1,0,0|2,0,1]=4 11195 B12R1.375 CCCCCCCCNC1CC1 34a_100000229939_100000211595 [0,0,0,1,0,0|2,0,1]=4 11196 B12R1.375 CCCCCCCCOC1CC1 34a_100000210232_100000211595 [0,0,0,1,0,0|2,0,1]=4 11197 B12R1.375 CCCCCCCCSC1CC1 62a_100000210759_100000211595 [0,0,0,1,0,0|2,0,1]=4 11198 B12R1.375 CCCCCCCNCC1CC1 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C=C(C)CCOCCNC1CC1 34a_100000738766_100000730704 [0,0,0,1,0,0|3,0,0]=4 11268 B12R1.390 C=C(C)CCSCCCC1CO1 62a_100000730704_100000733510 [0,0,0,1,0,0|3,0,0]=4 11269 B12R1.390 C=C(C)CCSCCCC1CO1 62a_100000733510_100000730704 [0,0,0,1,0,0|3,0,0]=4 11270 B12R1.390 CC(=CCCNCCC1CC1)C 34a_100000764129_100011217483 [0,0,0,1,0,0|2,0,1]=4 11271 B12R1.390 CC(=CCCOCCC1CC1)C 34a_100000754188_100011217483 [0,0,0,1,0,0|2,0,1]=4 11272 B12R1.390 CC(=CCCOCCC1CC1)C 7a_100000754188_100011217483 [0,0,0,1,0,0|2,0,1]=4 11273 B12R1.390 CC(=CCCSCCC1CC1)C 62a_100000764125_100011217483 [0,0,0,1,0,0|2,0,1]=4 11274 B12R1.390 CC(=CCCSCCC1CC1)C 62a_100011217483_100000764125 [0,0,0,1,0,0|2,0,1]=4 11275 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,0,0,1,0,0|1,0,0]=2 11276 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,0,0,1,0,0|1,0,0]=2 11277 B12R1.390 CC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100009817362 [0,0,0,1,0,0|2,0,0]=3 11278 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,0,0,1,0,0|1,0,0]=2 11279 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,0,0,1,0,0|1,0,0]=2 11280 B12R1.390 CC(=O)CCCCSCC1CO1 62a_100000735457_102125554688 [0,0,0,1,0,0|2,0,0]=3 11281 B12R1.390 CC(=O)CCCCSCC1CO1 62a_102125554688_100000735457 [0,0,0,1,0,0|2,0,0]=3 11282 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000031435_100000735457 [0,0,0,1,0,0|2,0,0]=3 11283 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000735457_100000031435 [0,0,0,1,0,0|2,0,0]=3 11284 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000735457_100000745022 [0,0,0,1,0,0|2,0,0]=3 11285 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000735457 [0,0,0,1,0,0|2,0,0]=3 11286 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,0,0,1,0,0|1,0,0]=2 11287 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,0,0,1,0,0|1,0,0]=2 11288 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,0,0,1,0,0|1,0,0]=2 11289 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,0,0,1,0,0|1,0,0]=2 11290 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,0,0,1,0,0|1,0,0]=2 11291 B12R1.390 CC(=O)CCCOCCC1CO1 34a_100000759063_100000732470 [0,0,0,1,0,0|2,0,0]=3 11292 B12R1.390 CC(=O)CCCOCCC1CO1 7a_100000759063_100000732470 [0,0,0,1,0,0|2,0,0]=3 11293 B12R1.390 CC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000685027 [0,0,0,1,0,0|2,0,0]=3 11294 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,0,0,1,0,0|1,0,0]=2 11295 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,0,0,1,0,0|1,0,0]=2 11296 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100000732470_100011215641 [0,0,0,1,0,0|2,0,0]=3 11297 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100011215641_100000732470 [0,0,0,1,0,0|2,0,0]=3 11298 B12R1.390 CC(=O)CCOCC#CC1CC1 34a_100000759926_100009895102 [0,0,0,1,0,0|1,0,2]=4 11299 B12R1.390 CC(=O)CCOCC#CC1CC1 7a_100000083941_100000053229 [0,0,0,1,0,0|1,0,2]=4 11300 B12R1.390 CC(=O)CCOCC#CC1CC1 7a_100000759926_100009895102 [0,0,0,1,0,0|1,0,2]=4 11301 B12R1.390 CC(=O)CCOCCCC1CO1 34a_100000759926_100000733510 [0,0,0,1,0,0|2,0,0]=3 11302 B12R1.390 CC(=O)CCOCCCC1CO1 7a_100000759926_100000733510 [0,0,0,1,0,0|2,0,0]=3 11303 B12R1.390 CC(=O)CCSCC#CC1CC1 62a_100000053229_100009895102 [0,0,0,1,0,0|1,0,2]=4 11304 B12R1.390 CC(=O)CCSCC#CC1CC1 62a_100009895102_100000053229 [0,0,0,1,0,0|1,0,2]=4 11305 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000053229_100000733510 [0,0,0,1,0,0|2,0,0]=3 11306 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000733510_100000053229 [0,0,0,1,0,0|2,0,0]=3 11307 B12R1.390 CC(=O)NCCCCNC1CC1 34a_200011368371_100000211595 [0,0,0,1,0,0|2,0,0]=3 11308 B12R1.390 CC(=O)NCCCNCC1CC1 269862a_100000736810_100000741477 [0,0,0,1,0,0|2,0,0]=3 11309 B12R1.390 CC(=O)NCCCNCC1CC1 34a_100000736810_100000742324 [0,0,0,1,0,0|2,0,0]=3 11310 B12R1.390 CC(=O)NCCCNCC1CO1 34a_100000736810_102125554688 [0,0,0,1,0,0|3,0,0]=4 11311 B12R1.390 CC(=O)NCCCOCC1CC1 34a_100000752032_100000742324 [0,0,0,1,0,0|2,0,0]=3 11312 B12R1.390 CC(=O)NCCCOCC1CO1 34a_100000752032_102125554688 [0,0,0,1,0,0|3,0,0]=4 11313 B12R1.390 CC(=O)NCCNCCC1CC1 2230a_100000209853_100000694398 [0,0,0,1,0,0|2,0,0]=3 11314 B12R1.390 CC(=O)NCCNCCC1CO1 2230a_100000209853_100000732470 [0,0,0,1,0,0|3,0,0]=4 11315 B12R1.390 CC(=O)NCCOCCC1CC1 34a_100000158858_100000694398 [0,0,0,1,0,0|2,0,0]=3 11316 B12R1.390 CC(=O)NCCOCCC1CC1 7a_100000754188_100000189650 [0,0,0,1,0,0|2,0,0]=3 11317 B12R1.390 CC(=O)NCCOCCC1CO1 34a_100000158858_100000732470 [0,0,0,1,0,0|3,0,0]=4 11318 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000189650_100000764125 [0,0,0,1,0,0|2,0,0]=3 11319 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000764125_100000189650 [0,0,0,1,0,0|2,0,0]=3 11320 B12R1.390 CC(=O)NCCSCCC1CO1 62a_100000189650_100000732470 [0,0,0,1,0,0|3,0,0]=4 11321 B12R1.390 CC(=O)NCCSCCC1CO1 62a_100000732470_100000189650 [0,0,0,1,0,0|3,0,0]=4 11322 B12R1.390 CC(=O)OCCCCNC1CC1 34a_100000212008_100000033659 [0,0,0,1,0,0|2,0,0]=3 11323 B12R1.390 CC(=O)OCCCCOC1CC1 34a_100000073216_100000211595 [0,0,0,1,0,0|2,0,0]=3 11324 B12R1.390 CC(=O)OCCCCSC1CC1 62a_100000033659_100000211595 [0,0,0,1,0,0|2,0,0]=3 11325 B12R1.390 CC(=O)OCCCNCC1CC1 34a_100000735609_100000042594 [0,0,0,1,0,0|2,0,0]=3 11326 B12R1.390 CC(=O)OCCCOCC1CC1 34a_100000211283_100000042594 [0,0,0,1,0,0|2,0,0]=3 11327 B12R1.390 CC(=O)OCCCOC[C@@H]1CO1 34a_100000757423_100000042594 [0,0,0,1,0,0|3,0,0]=4 11328 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000042594_100000742324 [0,0,0,1,0,0|2,0,0]=3 11329 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000756562_100000042594 [0,0,0,1,0,0|2,0,0]=3 11330 B12R1.390 CC(=O)OCCCSCC1CO1 62a_100000042594_102125554688 [0,0,0,1,0,0|3,0,0]=4 11331 B12R1.390 CC(=O)OCCCSCC1CO1 62a_102125554688_100000042594 [0,0,0,1,0,0|3,0,0]=4 11332 B12R1.390 CC(=O)OCCCSCC1CS1 62a_100000031435_100000042594 [0,0,0,1,0,0|3,0,0]=4 11333 B12R1.390 CC(=O)OCCCSCC1CS1 62a_100000042594_100000031435 [0,0,0,1,0,0|3,0,0]=4 11334 B12R1.390 CC(=O)OCCCSC[C@@H]1CO1 62a_100000042594_100000745022 [0,0,0,1,0,0|3,0,0]=4 11335 B12R1.390 CC(=O)OCCCSC[C@@H]1CO1 62a_100000745022_100000042594 [0,0,0,1,0,0|3,0,0]=4 11336 B12R1.390 CC(=O)OCCNCCC1CC1 34a_100000764129_100009814007 [0,0,0,1,0,0|2,0,0]=3 11337 B12R1.390 CC(=O)OCCOCCC1CC1 34a_100000754188_100009814007 [0,0,0,1,0,0|2,0,0]=3 11338 B12R1.390 CC(=O)OCCOCCC1CC1 7a_100000754188_100009814007 [0,0,0,1,0,0|2,0,0]=3 11339 B12R1.390 CC(=O)OCCOCC[C@@H]1CO1 34a_100009820653_100009814007 [0,0,0,1,0,0|3,0,0]=4 11340 B12R1.390 CC(=O)OCCOCNC1CC1 34a_100000212008_100000076355 [0,0,0,1,0,0|3,0,0]=4 11341 B12R1.390 CC(=O)OCCOCSC1CC1 62a_100000076355_100000211595 [0,0,0,1,0,0|3,0,0]=4 11342 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100000764125_100009814007 [0,0,0,1,0,0|2,0,0]=3 11343 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100009814007_100000764125 [0,0,0,1,0,0|2,0,0]=3 11344 B12R1.390 CC(=O)OCCSCCC1CO1 62a_100000732470_100009814007 [0,0,0,1,0,0|3,0,0]=4 11345 B12R1.390 CC(=O)OCCSCCC1CO1 62a_100009814007_100000732470 [0,0,0,1,0,0|3,0,0]=4 11346 B12R1.390 CC(=O)OCOCCNC1CC1 34a_100000738766_100009813279 [0,0,0,1,0,0|3,0,0]=4 11347 B12R1.390 CC(=O)OCSCCCC1CO1 62a_100000076356_100000733510 [0,0,0,1,0,0|3,0,0]=4 11348 B12R1.390 CC(=O)OCSCCCC1CO1 62a_100000733510_100000076356 [0,0,0,1,0,0|3,0,0]=4 11349 B12R1.390 CC(=O)SCCCCNC1CC1 34a_100000212008_200010402107 [0,0,0,1,0,0|2,0,0]=3 11350 B12R1.390 CC(=O)SCCCCSC1CC1 62a_200010402107_100000211595 [0,0,0,1,0,0|2,0,0]=3 11351 B12R1.390 CC(=O)SCCCNCC1CC1 2230a_100000735609_100000038929 [0,0,0,1,0,0|2,0,0]=3 11352 B12R1.390 CC(=O)SCCCNCC1CC1 34a_100000735609_100000038929 [0,0,0,1,0,0|2,0,0]=3 11353 B12R1.390 CC(=O)SCCCOCC1CC1 34a_100000211283_100000038929 [0,0,0,1,0,0|2,0,0]=3 11354 B12R1.390 CC(=O)SCCCOC[C@@H]1CO1 34a_100000757423_100000038929 [0,0,0,1,0,0|3,0,0]=4 11355 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000038929_100000742324 [0,0,0,1,0,0|2,0,0]=3 11356 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000756562_100000038929 [0,0,0,1,0,0|2,0,0]=3 11357 B12R1.390 CC(=O)SCCCSCC1CO1 62a_100000038929_102125554688 [0,0,0,1,0,0|3,0,0]=4 11358 B12R1.390 CC(=O)SCCCSCC1CO1 62a_102125554688_100000038929 [0,0,0,1,0,0|3,0,0]=4 11359 B12R1.390 CC(=O)SCCCSCC1CS1 62a_100000031435_100000038929 [0,0,0,1,0,0|3,0,0]=4 11360 B12R1.390 CC(=O)SCCCSCC1CS1 62a_100000038929_100000031435 [0,0,0,1,0,0|3,0,0]=4 11361 B12R1.390 CC(=O)SCCCSC[C@@H]1CO1 62a_100000038929_100000745022 [0,0,0,1,0,0|3,0,0]=4 11362 B12R1.390 CC(=O)SCCCSC[C@@H]1CO1 62a_100000745022_100000038929 [0,0,0,1,0,0|3,0,0]=4 11363 B12R1.390 CC(=S)OCCCNCC1CC1 2230a_100000735609_200135323944 [0,0,0,1,0,0|2,1,0]=4 11364 B12R1.390 CC(=S)OCCCNCC1CC1 34a_100000735609_200135323944 [0,0,0,1,0,0|2,1,0]=4 11365 B12R1.390 CC(=S)OCCCOCC1CC1 34a_100000211283_200135323944 [0,0,0,1,0,0|2,1,0]=4 11366 B12R1.390 CC(=S)OCCCSCC1CC1 62a_100000756562_200135323944 [0,0,0,1,0,0|2,1,0]=4 11367 B12R1.390 CC(=S)OCCCSCC1CC1 62a_200135323944_100000742324 [0,0,0,1,0,0|2,1,0]=4 11368 B12R1.390 CC(C)CCCCCNC1CC1 34a_100000212008_100000210682 [0,0,0,1,0,0|2,0,1]=4 11369 B12R1.390 CC(C)CCCCCNC1CC1 34a_100011290863_100000211595 [0,0,0,1,0,0|2,0,1]=4 11370 B12R1.390 CC(C)CCCCCOC1CC1 34a_100011995859_100000211595 [0,0,0,1,0,0|2,0,1]=4 11371 B12R1.390 CC(C)CCCCCSC1CC1 62a_100000210682_100000211595 [0,0,0,1,0,0|2,0,1]=4 11372 B12R1.390 CC(C)CCCCNCC1CC1 2230a_100000735609_100011216152 [0,0,0,1,0,0|2,0,1]=4 11373 B12R1.390 CC(C)CCCCNCC1CC1 34a_100000735609_100011216152 [0,0,0,1,0,0|2,0,1]=4 11374 B12R1.390 CC(C)CCCCOCC1CC1 34a_100000211283_100011216152 [0,0,0,1,0,0|2,0,1]=4 11375 B12R1.390 CC(C)CCCCOCC1CC1 34a_100011214890_100000742324 [0,0,0,1,0,0|2,0,1]=4 11376 B12R1.390 CC(C)CCCCOCC1CC1 7a_100011214890_100000742324 [0,0,0,1,0,0|2,0,1]=4 11377 B12R1.390 CC(C)CCCCSCC1CC1 62a_100000756562_100011216152 [0,0,0,1,0,0|2,0,1]=4 11378 B12R1.390 CC(C)CCCCSCC1CC1 62a_100011216152_100000742324 [0,0,0,1,0,0|2,0,1]=4 11379 B12R1.390 CC(C)CCCNCCC1CC1 2230a_200000737386_100000694398 [0,0,0,1,0,0|2,0,1]=4 11380 B12R1.390 CC(C)CCCNCCC1CC1 34a_100000764129_100011214892 [0,0,0,1,0,0|2,0,1]=4 11381 B12R1.390 CC(C)CCCNCCC1CC1 34a_200000737386_100000694398 [0,0,0,1,0,0|2,0,1]=4 11382 B12R1.390 CC(C)CCCOCCC1CC1 34a_100000210774_100000694398 [0,0,0,1,0,0|2,0,1]=4 11383 B12R1.390 CC(C)CCCOCCC1CC1 34a_100000754188_100011214892 [0,0,0,1,0,0|2,0,1]=4 11384 B12R1.390 CC(C)CCCOCCC1CC1 7a_100000210774_100000764125 [0,0,0,1,0,0|2,0,1]=4 11385 B12R1.390 CC(C)CCCOCCC1CC1 7a_100000754188_100011214892 [0,0,0,1,0,0|2,0,1]=4 11386 B12R1.390 CC(C)CCCSCCC1CC1 62a_100000764125_100011214892 [0,0,0,1,0,0|2,0,1]=4 11387 B12R1.390 CC(C)CCCSCCC1CC1 62a_100011214892_100000764125 [0,0,0,1,0,0|2,0,1]=4 11388 B12R1.390 CC(O)CCCNCCC1CC1 34a_100000764129_200000718107 [0,0,0,1,0,0|1,0,2]=4 11389 B12R1.390 CC(O)CCCOCCC1CC1 34a_100000754188_200000718107 [0,0,0,1,0,0|1,0,2]=4 11390 B12R1.390 CC(O)CCCOCCC1CC1 7a_100000754188_200000718107 [0,0,0,1,0,0|1,0,2]=4 11391 B12R1.390 CC(O)CCCSCCC1CC1 62a_100000764125_200000718107 [0,0,0,1,0,0|1,0,2]=4 11392 B12R1.390 CC(O)CCCSCCC1CC1 62a_200000718107_100000764125 [0,0,0,1,0,0|1,0,2]=4 11393 B12R1.390 CN(C)CCCCNCC1CC1 269862a_100025707445_100000741477 [0,0,0,1,0,0|3,0,0]=4 11394 B12R1.390 CN(C)CCCCSCC1CC1 62a_100000756562_100000690147 [0,0,0,1,0,0|3,0,0]=4 11395 B12R1.390 CN(C)CCCOCCC1CC1 7a_100000754188_100000757444 [0,0,0,1,0,0|3,0,0]=4 11396 B12R1.390 CN(C)CCCSCCC1CC1 62a_100000764125_100000757444 [0,0,0,1,0,0|3,0,0]=4 11397 B12R1.390 CS(=O)CCCNCCC1CC1 2230a_200000753449_100000694398 [0,0,0,1,0,0|2,0,0]=3 11398 B12R1.390 CS(=O)CCCNCCC1CO1 2230a_200000753449_100000732470 [0,0,0,1,0,0|3,0,0]=4 11399 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [0,0,0,1,0,0|2,0,0]=3 11400 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [0,0,0,1,0,0|2,0,0]=3 11401 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [0,0,0,1,0,0|2,0,0]=3 11402 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [0,0,0,1,0,0|2,0,0]=3 11403 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [0,0,0,1,0,0|2,0,0]=3 11404 B12R1.390 NC(=O)CCCCNCC1CO1 34a_100000696515_102125554688 [0,0,0,1,0,0|3,0,0]=4 11405 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [0,0,0,1,0,0|2,0,0]=3 11406 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [0,0,0,1,0,0|2,0,0]=3 11407 B12R1.390 NC(=O)CCCCOCC1CO1 34a_100012022536_102125554688 [0,0,0,1,0,0|3,0,0]=4 11408 B12R1.390 NC(=O)CCCCOCC1CO1 7a_100012022536_102125554688 [0,0,0,1,0,0|3,0,0]=4 11409 B12R1.390 NC(=O)CCCCOCC1CS1 7a_100012022536_100000031435 [0,0,0,1,0,0|3,0,0]=4 11410 B12R1.390 NC(=O)CCCCOC[C@@H]1CO1 7a_100012022536_100000745022 [0,0,0,1,0,0|3,0,0]=4 11411 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [0,0,0,1,0,0|2,0,0]=3 11412 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [0,0,0,1,0,0|2,0,0]=3 11413 B12R1.390 NC(=O)CCCNCCC1CO1 34a_100000739312_100000732470 [0,0,0,1,0,0|3,0,0]=4 11414 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,0,0,1,0,0|2,0,0]=3 11415 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,0,0,1,0,0|2,0,0]=3 11416 B12R1.390 NC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100102525003 [0,0,0,1,0,0|3,0,0]=4 11417 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [0,0,0,1,0,0|2,0,0]=3 11418 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [0,0,0,1,0,0|2,0,0]=3 11419 B12R1.390 NC(=O)CCCSCCC1CO1 62a_100000732470_100102525003 [0,0,0,1,0,0|3,0,0]=4 11420 B12R1.390 NC(=O)CCCSCCC1CO1 62a_100102525003_100000732470 [0,0,0,1,0,0|3,0,0]=4 11421 B12R1.390 NC(=O)CCOCCCC1CO1 34a_100000757172_100000733510 [0,0,0,1,0,0|3,0,0]=4 11422 B12R1.390 NC(=O)CCOCCCC1CO1 7a_100000757172_100000733510 [0,0,0,1,0,0|3,0,0]=4 11423 B12R1.390 NC(=O)CCOCCNC1CC1 34a_100000738766_100000731001 [0,0,0,1,0,0|3,0,0]=4 11424 B12R1.390 NC(=O)CCSCCCC1CO1 62a_100000733510_100000744528 [0,0,0,1,0,0|3,0,0]=4 11425 B12R1.390 NC(=O)CCSCCCC1CO1 62a_100000744528_100000733510 [0,0,0,1,0,0|3,0,0]=4 11426 B12R1.390 NC(=O)COCCNCC1CC1 2230a_100000735609_100000076697 [0,0,0,1,0,0|3,0,0]=4 11427 B12R1.390 NC(=O)COCCNCC1CC1 34a_100000735609_100000076697 [0,0,0,1,0,0|3,0,0]=4 11428 B12R1.390 NC(=O)COCCOCC1CC1 34a_100000211283_100000076697 [0,0,0,1,0,0|3,0,0]=4 11429 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000076697_100000742324 [0,0,0,1,0,0|3,0,0]=4 11430 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000756562_100000076697 [0,0,0,1,0,0|3,0,0]=4 11431 B12R1.390 NC(=O)NCCNCCC1CC1 34a_100020590234_100000694398 [0,0,0,1,0,0|3,0,0]=4 11432 B12R1.390 NC(=O)NCCOCCC1CC1 34a_100000181757_100000694398 [0,0,0,1,0,0|3,0,0]=4 11433 B12R1.390 NC(=O)NCCOCCC1CC1 7a_100000754188_200000034859 [0,0,0,1,0,0|3,0,0]=4 11434 B12R1.390 NC(=O)NCCSCCC1CC1 62a_100000764125_200000034859 [0,0,0,1,0,0|3,0,0]=4 11435 B12R1.390 NC(=O)NCCSCCC1CC1 62a_200000034859_100000764125 [0,0,0,1,0,0|3,0,0]=4 11436 B12R1.390 NC(=O)OCCNCCC1CC1 34a_100000764129_200011214921 [0,0,0,1,0,0|3,0,0]=4 11437 B12R1.390 NC(=O)OCCOCCC1CC1 34a_100000754188_200011214921 [0,0,0,1,0,0|3,0,0]=4 11438 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000754188_200011214921 [0,0,0,1,0,0|3,0,0]=4 11439 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000766696_100000764125 [0,0,0,1,0,0|3,0,0]=4 11440 B12R1.390 NC(=O)OCCSCCC1CC1 62a_100000764125_200011214921 [0,0,0,1,0,0|3,0,0]=4 11441 B12R1.390 NC(=O)OCCSCCC1CC1 62a_200011214921_100000764125 [0,0,0,1,0,0|3,0,0]=4 11442 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [0,0,0,1,0,0|3,0,0]=4 11443 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 34a_200015379883_100000742324 [0,0,0,1,0,0|3,0,0]=4 11444 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 7a_200015379883_100000742324 [0,0,0,1,0,0|3,0,0]=4 11445 B12R1.390 O=[N+]([O-])CCCOCCC1CC1 34a_200000037920_100000694398 [0,0,0,1,0,0|3,0,0]=4 11446 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,0,0,1,0,0|2,0,0]=3 11447 B12R1.405 CCN1CCCCCC1C(C)C 2230a_100000697956_100000210202 [0,0,0,1,0,0|2,0,1]=4 11448 B12R1.405 CCN1CCCCCC1C(C)C 269982a_100000697956_100000204670 [0,0,0,1,0,0|2,0,1]=4 11449 B12R1.405 CCN1CCCCCC1C(C)C 34a_100000697956_100000210202 [0,0,0,1,0,0|2,0,1]=4 11450 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [0,0,0,1,0,0|3,0,0]=4 11451 B12R1.459 CCCCCN1CCCC1(C)C 2230a_100000761399_100000210326 [0,0,0,1,0,0|2,0,1]=4 11452 B12R1.459 CCCCCN1CCCC1(C)C 269982a_100000761399_100000210215 [0,0,0,1,0,0|2,0,1]=4 11453 B12R1.459 CCCCCN1CCCC1(C)C 34a_100000761399_100000718602 [0,0,0,1,0,0|2,0,1]=4 11454 B12R1.459 CCCCNC1CCCC1(C)C 269862a_100000102301_100000065263 [0,0,0,1,0,0|2,0,1]=4 11455 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210211 [0,0,0,1,0,0|1,0,2]=4 11456 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210210 [0,0,0,1,0,0|1,0,2]=4 11457 B12R1.459 CCCCOC1CCCC1(C)C 34a_100000726220_100000210210 [0,0,0,1,0,0|2,0,1]=4 11458 B12R1.459 CCCCOC1CCCC1(C)C 7a_100000726220_100000210211 [0,0,0,1,0,0|2,0,1]=4 11459 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,0,0,1,0,0|2,0,0]=3 11460 B12R1.522 CCOCCN1CCC1C(=O)O 269956a_100000021838_100000210147 [0,0,0,1,0,0|3,0,0]=4 11461 B12R1.522 CCSCCN1CCC1C(=O)O 269956a_100000021838_100000757381 [0,0,0,1,0,0|3,0,0]=4 11462 B12R1.522 COCCCN1CCC1C(=O)O 269956a_100000021838_100000740836 [0,0,0,1,0,0|3,0,0]=4 11463 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [0,0,0,1,0,0|3,0,0]=4 11464 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [0,0,0,1,0,0|3,0,0]=4 11465 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,0,0,1,0,0|1,0,0]=2 11466 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,0,0,1,0,0|1,0,0]=2 11467 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,0,0,1,0,0|1,0,0]=2 11468 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,0,0,1,0,0|1,0,0]=2 11469 B12R1.1335 CC(C)N1CCCCCCCC1 2230a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 11470 B12R1.1335 CC(C)N1CCCCCCCC1 269982a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 11471 B12R1.1335 CC(C)N1CCCCCCCC1 34a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 11472 B12R1.1335 CN(C)C1CCCCCCCC1 270004a_100102631434_100000038600 [0,0,0,1,0,0|2,0,0]=3 11473 B12R1.1343 C=C(C)CCN1CCCCCC1 2230a_100000185865_100000730704 [0,0,0,1,0,0|2,0,0]=3 11474 B12R1.1343 C=C(C)CCN1CCCCCC1 269982a_100000185865_100000730704 [0,0,0,1,0,0|2,0,0]=3 11475 B12R1.1343 C=C(C)CCN1CCCCCC1 34a_100000185865_100000730704 [0,0,0,1,0,0|2,0,0]=3 11476 B12R1.1343 C=C(C)CCN1CCCOCC1 2230a_100000685342_100000730704 [0,0,0,1,0,0|3,0,0]=4 11477 B12R1.1343 C=C(C)CCN1CCCOCC1 269982a_100000685342_100000730704 [0,0,0,1,0,0|3,0,0]=4 11478 B12R1.1343 C=C(C)CCN1CCCOCC1 34a_100000685342_100000730704 [0,0,0,1,0,0|3,0,0]=4 11479 B12R1.1343 C=C(C)CNC1CCCCCC1 2230a_100000210984_100000748629 [0,0,0,1,0,0|2,0,0]=3 11480 B12R1.1343 C=C(C)CNC1CCCCCC1 34a_100000210984_100000748629 [0,0,0,1,0,0|2,0,0]=3 11481 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,0,0,1,0,0|2,0,0]=3 11482 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,0,0,1,0,0|2,0,0]=3 11483 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,0,0,1,0,0|2,0,0]=3 11484 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100000748629_100011217769 [0,0,0,1,0,0|2,0,0]=3 11485 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100011217769_100000211660 [0,0,0,1,0,0|2,0,0]=3 11486 B12R1.1343 C=C(F)CNC1CCCCCC1 2230a_100000210984_100009893438 [0,0,0,1,0,0|2,0,1]=4 11487 B12R1.1343 C=C(F)CNC1CCCCCC1 34a_100000210984_100009893438 [0,0,0,1,0,0|2,0,1]=4 11488 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,0,0,1,0,0|2,0,1]=4 11489 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,0,0,1,0,0|2,0,1]=4 11490 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,0,0,1,0,0|2,0,1]=4 11491 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100000042424_100011217769 [0,0,0,1,0,0|2,0,1]=4 11492 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100011217769_100000042424 [0,0,0,1,0,0|2,0,1]=4 11493 B12R1.1343 CC(=CCN1CCCCCC1)C 2230a_100000185865_100000761012 [0,0,0,1,0,0|2,0,1]=4 11494 B12R1.1343 CC(=CCN1CCCCCC1)C 269982a_100000185865_100000761012 [0,0,0,1,0,0|2,0,1]=4 11495 B12R1.1343 CC(=CCN1CCCCCC1)C 34a_100000185865_100000761012 [0,0,0,1,0,0|2,0,1]=4 11496 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,0,0,1,0,0|1,0,0]=2 11497 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,0,0,1,0,0|1,0,0]=2 11498 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,0,0,1,0,0|1,0,0]=2 11499 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,0,0,1,0,0|2,0,0]=3 11500 B12R1.1343 CC(=O)CNC1=NCCCCC1 1458a_100000016077_200000210301 [0,0,0,1,0,0|2,0,1]=4 11501 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,0,0,1,0,0|1,0,0]=2 11502 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,0,0,1,0,0|1,0,0]=2 11503 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,0,0,1,0,0|1,0,0]=2 11504 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,0,0,1,0,0|1,0,0]=2 11505 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,0,0,1,0,0|1,0,0]=2 11506 B12R1.1343 CC(=O)NN=C1CCCCCC1 4a_100000189765_100000210131 [0,0,0,1,0,0|2,0,1]=4 11507 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,0,0,1,0,0|2,0,0]=3 11508 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,0,0,1,0,0|2,0,0]=3 11509 B12R1.1343 CC(=O)OCN1CCCOCC1 269982a_100000685342_100000076356 [0,0,0,1,0,0|3,0,0]=4 11510 B12R1.1343 CC(=O)OCN1CCCOCC1 34a_100000685342_100009813279 [0,0,0,1,0,0|3,0,0]=4 11511 B12R1.1343 CC(Br)COC1CCCCCC1 34a_100012180447_100011217769 [0,0,0,1,0,0|2,0,1]=4 11512 B12R1.1343 CC(C)CCN1CCCCCC1 2230a_100000185865_100000210312 [0,0,0,1,0,0|2,0,1]=4 11513 B12R1.1343 CC(C)CCN1CCCCCC1 269982a_100000185865_100000210312 [0,0,0,1,0,0|2,0,1]=4 11514 B12R1.1343 CC(C)CCN1CCCCCC1 34a_100000185865_100000210312 [0,0,0,1,0,0|2,0,1]=4 11515 B12R1.1343 CC(C)CNC1CCCCCC1 2230a_100000210984_100000210760 [0,0,0,1,0,0|2,0,1]=4 11516 B12R1.1343 CC(C)CNC1CCCCCC1 270004a_100000210953_100000210131 [0,0,0,1,0,0|2,0,1]=4 11517 B12R1.1343 CC(C)CNC1CCCCCC1 270004a_100000210984_100000210432 [0,0,0,1,0,0|2,0,1]=4 11518 B12R1.1343 CC(C)CNC1CCCCCC1 34a_100000210953_100011217769 [0,0,0,1,0,0|2,0,1]=4 11519 B12R1.1343 CC(C)CNC1CCCCCC1 34a_100000210984_100000210624 [0,0,0,1,0,0|2,0,1]=4 11520 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210257_100011217769 [0,0,0,1,0,0|2,0,1]=4 11521 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210887_100000210624 [0,0,0,1,0,0|2,0,1]=4 11522 B12R1.1343 CC(C)COC1CCCCCC1 7a_100000210887_100000210760 [0,0,0,1,0,0|2,0,1]=4 11523 B12R1.1343 CC(C)CSC1CCCCCC1 62a_100000210624_100011217769 [0,0,0,1,0,0|2,0,1]=4 11524 B12R1.1343 CC(C)CSC1CCCCCC1 62a_100011217769_100000210760 [0,0,0,1,0,0|2,0,1]=4 11525 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100015204231_100000210206 [0,0,0,1,0,0|2,0,1]=4 11526 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100138425928_200000696569 [0,0,0,1,0,0|2,0,1]=4 11527 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100015204231_100000210206 [0,0,0,1,0,0|2,0,1]=4 11528 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100138425928_200000696569 [0,0,0,1,0,0|2,0,1]=4 11529 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000212225_200000696569 [0,0,0,1,0,0|2,0,1]=4 11530 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000699130_100000210206 [0,0,0,1,0,0|2,0,1]=4 11531 B12R1.1343 CC(C)OCC1CCCCCC1 7a_100000699130_100000210206 [0,0,0,1,0,0|2,0,1]=4 11532 B12R1.1343 CC(C)SCC1CCCCCC1 62a_100000210206_200000696569 [0,0,0,1,0,0|2,0,1]=4 11533 B12R1.1343 CC(C)SCC1CCCCCC1 62a_200000696569_100000210206 [0,0,0,1,0,0|2,0,1]=4 11534 B12R1.1343 CC(F)COC1CCCCCC1 34a_100015925927_100011217769 [0,0,0,1,0,0|2,0,1]=4 11535 B12R1.1343 CC(O)CCN1CCCCCC1 2230a_100000185865_100012276601 [0,0,0,1,0,0|1,0,2]=4 11536 B12R1.1343 CC(O)CCN1CCCCCC1 269982a_100000185865_100012276601 [0,0,0,1,0,0|1,0,2]=4 11537 B12R1.1343 CC(O)CCN1CCCCCC1 34a_100000185865_100012276601 [0,0,0,1,0,0|1,0,2]=4 11538 B12R1.1343 CC(O)CNC1CCCCCC1 2230a_100000210984_100011218427 [0,0,0,1,0,0|1,0,2]=4 11539 B12R1.1343 CC(O)CNC1CCCCCC1 270004a_100000210904_100000210131 [0,0,0,1,0,0|1,0,2]=4 11540 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210904_100011217769 [0,0,0,1,0,0|1,0,2]=4 11541 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210984_100011218427 [0,0,0,1,0,0|1,0,2]=4 11542 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,0,0,1,0,0|1,0,2]=4 11543 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,0,0,1,0,0|1,0,2]=4 11544 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011217769_100011218427 [0,0,0,1,0,0|1,0,2]=4 11545 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011218427_100011217769 [0,0,0,1,0,0|1,0,2]=4 11546 B12R1.1343 CN(C)CCN1CCCCCC1 269982a_100000185865_100000755713 [0,0,0,1,0,0|3,0,0]=4 11547 B12R1.1343 CN(C)CCN1CCCCCC1 269982a_100102631434_100000722644 [0,0,0,1,0,0|3,0,0]=4 11548 B12R1.1343 CN(C)CCN1CCCCCC1 269982a_106744473495_200000210301 [0,0,0,1,0,0|3,0,0]=4 11549 B12R1.1343 CN([13CH3])CCN1CCCCCC1 269982a_106744473495_200025704644 [0,0,0,1,0,0|3,0,0]=4 11550 B12R1.1343 C[C@@H](Cl)COC1CCCCCC1 34a_100016084084_100011217769 [0,0,0,1,0,0|2,0,1]=4 11551 B12R1.1343 C[C@@H](N)COC1CCCCCC1 34a_100000737577_100011217769 [0,0,0,1,0,0|2,0,1]=4 11552 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 2230a_100000210984_100009817552 [0,0,0,1,0,0|1,0,2]=4 11553 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 34a_100000210984_100009817552 [0,0,0,1,0,0|1,0,2]=4 11554 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,0,0,1,0,0|1,0,2]=4 11555 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,0,0,1,0,0|1,0,2]=4 11556 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100009817552_100011217769 [0,0,0,1,0,0|1,0,2]=4 11557 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100011217769_100009817552 [0,0,0,1,0,0|1,0,2]=4 11558 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,0,0,1,0,0|2,0,0]=3 11559 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,0,0,1,0,0|2,0,0]=3 11560 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,0,0,1,0,0|2,0,0]=3 11561 B12R1.1343 NC(=O)CCN1CCCOCC1 2230a_100000685342_100000744528 [0,0,0,1,0,0|3,0,0]=4 11562 B12R1.1343 NC(=O)CCN1CCCOCC1 269982a_100000685342_100000744528 [0,0,0,1,0,0|3,0,0]=4 11563 B12R1.1343 NC(=O)CCN1CCCOCC1 34a_100000685342_100000731001 [0,0,0,1,0,0|3,0,0]=4 11564 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,0,0,1,0,0|2,0,0]=3 11565 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,0,0,1,0,0|2,0,0]=3 11566 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,0,0,1,0,0|2,0,0]=3 11567 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,0,0,1,0,0|2,0,0]=3 11568 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,0,0,1,0,0|2,0,0]=3 11569 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,0,0,1,0,0|2,0,0]=3 11570 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,0,1,0,0|2,0,0]=3 11571 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,0,0,1,0,0|2,0,0]=3 11572 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,0,0,1,0,0|2,0,0]=3 11573 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,0,0,1,0,0|2,0,0]=3 11574 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,0,0,1,0,0|2,0,0]=3 11575 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 34a_100000210984_100000761209 [0,0,0,1,0,0|3,0,0]=4 11576 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 34a_100000210887_100000761209 [0,0,0,1,0,0|3,0,0]=4 11577 B12R1.1343 O=[N+]([O-])CSC1CCCCCC1 62a_100011217769_100000761209 [0,0,0,1,0,0|3,0,0]=4 11578 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,0,0,1,0,0|1,0,0]=2 11579 B12R1.1343 [13CH3]C(=O)CNC1=NCCCCC1 1458a_100000016077_200025704644 [0,0,0,1,0,0|2,0,1]=4 11580 B12R1.1392 C=C(C)CN1CCCCCCC1 2230a_100000211400_100000748629 [0,0,0,1,0,0|2,0,0]=3 11581 B12R1.1392 C=C(C)CN1CCCCCCC1 269982a_100000211400_100000748629 [0,0,0,1,0,0|2,0,0]=3 11582 B12R1.1392 C=C(C)CN1CCCCCCC1 34a_100000211400_100000748629 [0,0,0,1,0,0|2,0,0]=3 11583 B12R1.1392 C=C(F)CN1CCCCCCC1 2230a_100000211400_100009893438 [0,0,0,1,0,0|2,0,1]=4 11584 B12R1.1392 C=C(F)CN1CCCCCCC1 269982a_100000211400_100009893438 [0,0,0,1,0,0|2,0,1]=4 11585 B12R1.1392 C=C(F)CN1CCCCCCC1 34a_100000211400_100009893438 [0,0,0,1,0,0|2,0,1]=4 11586 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,0,0,1,0,0|1,0,0]=2 11587 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,0,0,1,0,0|1,0,0]=2 11588 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,0,0,1,0,0|1,0,0]=2 11589 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,0,0,1,0,0|1,0,0]=2 11590 B12R1.1392 CC(C)CN1CCCCCCC1 2230a_100000211400_100000210760 [0,0,0,1,0,0|2,0,1]=4 11591 B12R1.1392 CC(C)CN1CCCCCCC1 269982a_100000211400_100000210624 [0,0,0,1,0,0|2,0,1]=4 11592 B12R1.1392 CC(C)CN1CCCCCCC1 270004a_100000211400_100000210432 [0,0,0,1,0,0|2,0,1]=4 11593 B12R1.1392 CC(C)CN1CCCCCCC1 34a_100000211400_100000210624 [0,0,0,1,0,0|2,0,1]=4 11594 B12R1.1392 CC(C)NC1CCCCCCC1 2230a_100000211152_100000210206 [0,0,0,1,0,0|2,0,1]=4 11595 B12R1.1392 CC(C)NC1CCCCCCC1 34a_100000211152_100000210206 [0,0,0,1,0,0|2,0,1]=4 11596 B12R1.1392 CC(C)OC1CCCCCCC1 34a_100000210054_100000210206 [0,0,0,1,0,0|2,0,1]=4 11597 B12R1.1392 CC(C)OC1CCCCCCC1 7a_100000210054_100000210206 [0,0,0,1,0,0|2,0,1]=4 11598 B12R1.1392 CC(O)CN1CCCCCCC1 2230a_100000211400_100011218427 [0,0,0,1,0,0|1,0,2]=4 11599 B12R1.1392 CC(O)CN1CCCCCCC1 269982a_100000211400_100011218427 [0,0,0,1,0,0|1,0,2]=4 11600 B12R1.1392 CC(O)CN1CCCCCCC1 34a_100000211400_100011218427 [0,0,0,1,0,0|1,0,2]=4 11601 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 2230a_100000211400_100009817552 [0,0,0,1,0,0|1,0,2]=4 11602 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 269982a_100000211400_100009817552 [0,0,0,1,0,0|1,0,2]=4 11603 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 34a_100000211400_100009817552 [0,0,0,1,0,0|1,0,2]=4 11604 B12R1.1392 NC(=O)CN1CCCCCCC1 2230a_100000211400_100000747473 [0,0,0,1,0,0|2,0,0]=3 11605 B12R1.1392 NC(=O)CN1CCCCCCC1 269982a_100000211400_100000187820 [0,0,0,1,0,0|2,0,0]=3 11606 B12R1.1392 NC(=O)CN1CCCCCCC1 34a_100000211400_100000187820 [0,0,0,1,0,0|2,0,0]=3 11607 B12R1.1392 O=C([O-])CN1CCCCCCC1 269982a_100000211400_100020667443 [0,0,0,1,0,0|2,0,0]=3 11608 B12R1.1392 O=C([O-])CN1CCCCCCC1 34a_100000211400_100020667443 [0,0,0,1,0,0|2,0,0]=3 11609 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 269982a_100000211400_100000761209 [0,0,0,1,0,0|3,0,0]=4 11610 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 34a_100000211400_100000761209 [0,0,0,1,0,0|3,0,0]=4 11611 B12R1.1995 CCCCCOCC1CC1(C)C 34a_100000728257_100000718602 [0,0,0,1,0,0|2,0,1]=4 11612 B12R1.1995 CCCCCOCC1CC1(C)C 7a_100000728257_100000210326 [0,0,0,1,0,0|2,0,1]=4 11613 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [2,0,0,0,0,0|0,0,2]=4 11614 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [2,0,0,0,0,0|0,0,2]=4 11615 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [2,0,0,0,0,0|0,0,2]=4 11616 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [2,0,0,0,0,0|2,0,0]=4 11617 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [2,0,0,0,0,0|2,0,0]=4 11618 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [2,0,0,0,0,0|2,0,0]=4 11619 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [2,0,0,0,0,0|2,0,0]=4 11620 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [2,0,0,0,0,0|2,0,0]=4 11621 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [2,0,0,0,0,0|2,0,0]=4 11622 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [2,0,0,0,0,0|2,0,0]=4 11623 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [2,0,0,0,0,0|2,0,0]=4 11624 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [2,0,0,0,0,0|2,0,0]=4 11625 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [2,0,0,0,0,0|2,0,0]=4 11626 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [2,0,0,0,0,0|2,0,0]=4 11627 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [2,0,0,0,0,0|2,0,0]=4 11628 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [2,0,0,0,0,0|2,0,0]=4 11629 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [2,0,0,0,0,0|0,0,2]=4 11630 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [2,0,0,0,0,0|0,0,2]=4 11631 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [2,0,0,0,0,0|0,0,2]=4 11632 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [2,0,0,0,0,0|1,0,1]=4 11633 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|1,0,0]=3 11634 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|1,0,0]=3 11635 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|1,0,0]=3 11636 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [2,0,0,0,0,0|2,0,0]=4 11637 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [2,0,0,0,0,0|2,0,0]=4 11638 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [2,0,0,0,0,0|2,0,0]=4 11639 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [2,0,0,0,0,0|2,0,0]=4 11640 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [2,0,0,0,0,0|2,0,0]=4 11641 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [2,0,0,0,0,0|2,0,0]=4 11642 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [2,0,0,0,0,0|2,0,0]=4 11643 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [2,0,0,0,0,0|2,0,0]=4 11644 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [2,0,0,0,0,0|2,0,0]=4 11645 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [2,0,0,0,0,0|2,0,0]=4 11646 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [2,0,0,0,0,0|2,0,0]=4 11647 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [2,0,0,0,0,0|2,0,0]=4 11648 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [2,0,0,0,0,0|2,0,0]=4 11649 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [2,0,0,0,0,0|2,0,0]=4 11650 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [2,0,0,0,0,0|2,0,0]=4 11651 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [2,0,0,0,0,0|2,0,0]=4 11652 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [2,0,0,0,0,0|2,0,0]=4 11653 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [2,0,0,0,0,0|2,0,0]=4 11654 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [2,0,0,0,0,0|2,0,0]=4 11655 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [2,0,0,0,0,0|2,0,0]=4 11656 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [2,0,0,0,0,0|2,0,0]=4 11657 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [2,0,0,0,0,0|2,0,0]=4 11658 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [2,0,0,0,0,0|2,0,0]=4 11659 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [2,0,0,0,0,0|2,0,0]=4 11660 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [2,0,0,0,0,0|2,0,0]=4 11661 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 11662 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 11663 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [2,0,0,0,0,0|2,0,0]=4 11664 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [2,0,0,0,0,0|2,0,0]=4 11665 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [2,0,0,0,0,0|2,0,0]=4 11666 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [2,0,0,0,0,0|2,0,0]=4 11667 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [2,0,0,0,0,0|2,0,0]=4 11668 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [2,0,0,0,0,0|2,0,0]=4 11669 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|0,0,2]=4 11670 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|0,0,2]=4 11671 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [2,0,0,0,0,0|0,0,2]=4 11672 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [2,0,0,0,0,0|0,0,2]=4 11673 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|0,0,2]=4 11674 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|0,0,2]=4 11675 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|0,0,0]=2 11676 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|0,0,0]=2 11677 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|0,0,0]=2 11678 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [2,0,0,0,0,0|2,0,0]=4 11679 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [2,0,0,0,0,0|2,0,0]=4 11680 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [2,0,0,0,0,0|2,0,0]=4 11681 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [2,0,0,0,0,0|2,0,0]=4 11682 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [2,0,0,0,0,0|2,0,0]=4 11683 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [2,0,0,0,0,0|2,0,0]=4 11684 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 11685 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 11686 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 11687 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|1,0,0]=3 11688 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 11689 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 11690 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|2,0,0]=4 11691 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [2,0,0,0,0,0|2,0,0]=4 11692 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|1,0,0]=3 11693 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 11694 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 11695 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|2,0,0]=4 11696 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 11697 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 11698 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|2,0,0]=4 11699 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|2,0,0]=4 11700 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|1,0,0]=3 11701 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 11702 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 11703 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|1,0,0]=3 11704 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|1,0,0]=3 11705 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|1,0,0]=3 11706 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|1,0,0]=3 11707 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 11708 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 11709 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 11710 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 11711 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [2,0,0,0,0,0|2,0,0]=4 11712 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|1,0,0]=3 11713 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|1,0,0]=3 11714 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 11715 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 11716 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [2,0,0,0,0,0|2,0,0]=4 11717 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [2,0,0,0,0,0|2,0,0]=4 11718 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 11719 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [2,0,0,0,0,0|2,0,0]=4 11720 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [2,0,0,0,0,0|2,0,0]=4 11721 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|1,0,0]=3 11722 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|1,0,0]=3 11723 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|1,0,0]=3 11724 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 11725 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 11726 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 11727 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [2,0,0,0,0,0|2,0,0]=4 11728 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [2,0,0,0,0,0|2,0,0]=4 11729 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [2,0,0,0,0,0|2,0,0]=4 11730 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|1,0,0]=3 11731 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|1,0,0]=3 11732 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 11733 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 11734 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 11735 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 11736 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [2,0,0,0,0,0|2,0,0]=4 11737 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [2,0,0,0,0,0|2,0,0]=4 11738 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [2,0,0,0,0,0|2,0,0]=4 11739 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [2,0,0,0,0,0|2,0,0]=4 11740 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [2,0,0,0,0,0|2,0,0]=4 11741 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 11742 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [2,0,0,0,0,0|2,0,0]=4 11743 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [2,0,0,0,0,0|2,0,0]=4 11744 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|1,0,0]=3 11745 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 11746 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 11747 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 11748 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 11749 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 11750 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [2,0,0,0,0,0|2,0,0]=4 11751 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [2,0,0,0,0,0|2,0,0]=4 11752 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [2,0,0,0,0,0|2,0,0]=4 11753 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [2,0,0,0,0,0|2,0,0]=4 11754 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [2,0,0,0,0,0|2,0,0]=4 11755 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [2,0,0,0,0,0|2,0,0]=4 11756 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [2,0,0,0,0,0|2,0,0]=4 11757 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|1,0,0]=3 11758 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|1,0,0]=3 11759 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [2,0,0,0,0,0|2,0,0]=4 11760 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [2,0,0,0,0,0|2,0,0]=4 11761 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [2,0,0,0,0,0|2,0,0]=4 11762 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [2,0,0,0,0,0|2,0,0]=4 11763 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [2,0,0,0,0,0|2,0,0]=4 11764 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 11765 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 11766 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 11767 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 11768 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 11769 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [2,0,0,0,0,0|2,0,0]=4 11770 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [2,0,0,0,0,0|2,0,0]=4 11771 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [2,0,0,0,0,0|2,0,0]=4 11772 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [2,0,0,0,0,0|2,0,0]=4 11773 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [2,0,0,0,0,0|2,0,0]=4 11774 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|1,0,0]=3 11775 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 11776 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 11777 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 11778 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|1,0,0]=3 11779 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|2,0,0]=4 11780 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [2,0,0,0,0,0|2,0,0]=4 11781 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [2,0,0,0,0,0|2,0,0]=4 11782 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [2,0,0,0,0,0|2,0,0]=4 11783 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [2,0,0,0,0,0|2,0,0]=4 11784 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [2,0,0,0,0,0|2,0,0]=4 11785 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [2,0,0,0,0,0|2,0,0]=4 11786 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [2,0,0,0,0,0|2,0,0]=4 11787 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [2,0,0,0,0,0|2,0,0]=4 11788 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [2,0,0,0,0,0|2,0,0]=4 11789 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [2,0,0,0,0,0|2,0,0]=4 11790 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [2,0,0,0,0,0|2,0,0]=4 11791 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [2,0,0,0,0,0|2,0,0]=4 11792 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [2,0,0,0,0,0|2,0,0]=4 11793 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [2,0,0,0,0,0|2,0,0]=4 11794 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 11795 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 11796 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [2,0,0,0,0,0|2,0,0]=4 11797 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [2,0,0,0,0,0|2,0,0]=4 11798 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [2,0,0,0,0,0|2,0,0]=4 11799 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [2,0,0,0,0,0|2,0,0]=4 11800 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [2,0,0,0,0,0|2,0,0]=4 11801 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [2,0,0,0,0,0|2,0,0]=4 11802 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [2,0,0,0,0,0|2,0,0]=4 11803 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [2,0,0,0,0,0|2,0,0]=4 11804 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [2,0,0,0,0,0|2,0,0]=4 11805 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [2,0,0,0,0,0|2,0,0]=4 11806 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [2,0,0,0,0,0|2,0,0]=4 11807 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [2,0,0,0,0,0|2,0,0]=4 11808 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|1,0,0]=3 11809 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 11810 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 11811 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|2,0,0]=4 11812 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 11813 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 11814 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|1,0,1]=4 11815 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 11816 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|1,0,1]=4 11817 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 11818 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [2,0,0,0,0,0|1,0,1]=4 11819 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [2,0,0,0,0,0|1,0,1]=4 11820 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 11821 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,1]=4 11822 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 11823 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,1]=4 11824 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 11825 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 11826 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 11827 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 11828 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,1]=4 11829 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,1]=4 11830 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,1]=4 11831 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,1]=4 11832 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,1]=4 11833 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 11834 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,1]=4 11835 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 11836 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,1]=4 11837 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,1]=4 11838 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 11839 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 11840 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 11841 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 11842 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 11843 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,1]=4 11844 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,1]=4 11845 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,1]=4 11846 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,1]=4 11847 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,1]=4 11848 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,1]=4 11849 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 11850 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,1]=4 11851 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 11852 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,1]=4 11853 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,1]=4 11854 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,1]=4 11855 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,1]=4 11856 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,1]=4 11857 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 11858 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 11859 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 11860 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,1]=4 11861 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,1]=4 11862 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,1]=4 11863 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,1]=4 11864 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 11865 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,1]=4 11866 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 11867 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,1]=4 11868 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,1]=4 11869 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|1,0,1]=4 11870 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [2,0,0,0,0,0|1,0,1]=4 11871 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 11872 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 11873 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [2,0,0,0,0,0|1,0,1]=4 11874 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [2,0,0,0,0,0|1,0,1]=4 11875 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 11876 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 11877 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 11878 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,0]=3 11879 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 11880 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 11881 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 11882 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 11883 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,0]=3 11884 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 11885 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 11886 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 11887 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,0,0]=3 11888 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,0,0]=3 11889 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,0,0]=3 11890 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,0,0]=3 11891 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,0]=3 11892 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,0]=3 11893 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|1,0,0]=3 11894 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|1,0,0]=3 11895 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|1,0,0]=3 11896 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 11897 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 11898 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|1,0,0]=3 11899 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|1,0,0]=3 11900 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [2,0,0,0,0,0|2,0,0]=4 11901 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [2,0,0,0,0,0|2,0,0]=4 11902 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,0]=3 11903 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,0]=3 11904 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [2,0,0,0,0,0|2,0,0]=4 11905 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [2,0,0,0,0,0|2,0,0]=4 11906 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|1,0,1]=4 11907 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|1,0,1]=4 11908 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|1,0,1]=4 11909 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|2,0,0]=4 11910 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [2,0,0,0,0,0|2,0,0]=4 11911 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,0]=3 11912 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,0]=3 11913 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|2,0,0]=4 11914 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,0]=3 11915 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,0]=3 11916 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,0]=3 11917 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 11918 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 11919 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|2,0,0]=4 11920 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 11921 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 11922 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|2,0,0]=4 11923 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,0]=3 11924 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,0]=3 11925 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,0]=3 11926 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,0]=3 11927 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [2,0,0,0,0,0|2,0,0]=4 11928 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [2,0,0,0,0,0|2,0,0]=4 11929 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,0,1]=4 11930 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,0,1]=4 11931 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|2,0,0]=4 11932 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|2,0,0]=4 11933 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [2,0,0,0,0,0|2,0,0]=4 11934 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [2,0,0,0,0,0|2,0,0]=4 11935 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,0]=3 11936 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,0]=3 11937 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,0]=3 11938 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [2,0,0,0,0,0|2,0,0]=4 11939 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [2,0,0,0,0,0|2,0,0]=4 11940 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [2,0,0,0,0,0|2,0,0]=4 11941 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|1,0,1]=4 11942 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|2,0,0]=4 11943 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|2,0,0]=4 11944 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|2,0,0]=4 11945 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|2,0,0]=4 11946 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [2,0,0,0,0,0|2,0,0]=4 11947 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [2,0,0,0,0,0|2,0,0]=4 11948 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [2,0,0,0,0,0|2,0,0]=4 11949 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,0]=3 11950 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,0]=3 11951 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,0]=3 11952 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,0]=3 11953 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [2,0,0,0,0,0|2,0,0]=4 11954 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 11955 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [2,0,0,0,0,0|2,0,0]=4 11956 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 11957 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [2,0,0,0,0,0|2,0,0]=4 11958 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,1]=4 11959 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,1]=4 11960 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|2,0,0]=4 11961 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|2,0,0]=4 11962 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|2,0,0]=4 11963 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|2,0,0]=4 11964 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|2,0,0]=4 11965 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|2,0,0]=4 11966 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|2,0,0]=4 11967 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [2,0,0,0,0,0|2,0,0]=4 11968 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [2,0,0,0,0,0|2,0,0]=4 11969 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [2,0,0,0,0,0|2,0,0]=4 11970 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [2,0,0,0,0,0|2,0,0]=4 11971 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,0]=3 11972 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,0]=3 11973 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [2,0,0,0,0,0|2,0,0]=4 11974 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [2,0,0,0,0,0|2,0,0]=4 11975 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,0,1]=4 11976 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,0,1]=4 11977 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|2,0,0]=4 11978 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|2,0,0]=4 11979 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [2,0,0,0,0,0|2,0,0]=4 11980 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [2,0,0,0,0,0|2,0,0]=4 11981 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [2,0,0,0,0,0|2,0,0]=4 11982 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [2,0,0,0,0,0|2,0,0]=4 11983 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,0]=3 11984 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,0]=3 11985 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [2,0,0,0,0,0|2,0,0]=4 11986 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [2,0,0,0,0,0|2,0,0]=4 11987 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|1,0,1]=4 11988 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|1,0,1]=4 11989 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|1,0,1]=4 11990 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|1,0,1]=4 11991 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|2,0,0]=4 11992 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|2,0,0]=4 11993 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|2,0,0]=4 11994 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [2,0,0,0,0,0|2,0,0]=4 11995 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [2,0,0,0,0,0|2,0,0]=4 11996 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [2,0,0,0,0,0|2,0,0]=4 11997 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [2,0,0,0,0,0|2,0,0]=4 11998 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [2,0,0,0,0,0|2,0,0]=4 11999 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [2,0,0,0,0,0|2,0,0]=4 12000 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [2,0,0,0,0,0|2,0,0]=4 12001 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [2,0,0,0,0,0|2,0,0]=4 12002 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,0]=3 12003 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [2,0,0,0,0,0|2,0,0]=4 12004 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [2,0,0,0,0,0|2,0,0]=4 12005 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [2,0,0,0,0,0|2,0,0]=4 12006 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 12007 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [2,0,0,0,0,0|2,0,0]=4 12008 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 12009 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [2,0,0,0,0,0|2,0,0]=4 12010 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [2,0,0,0,0,0|2,0,0]=4 12011 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 12012 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,1]=4 12013 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,1]=4 12014 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 12015 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|2,0,0]=4 12016 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 12017 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 12018 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 12019 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|2,0,0]=4 12020 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|2,0,0]=4 12021 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|2,0,0]=4 12022 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|2,0,0]=4 12023 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|2,0,0]=4 12024 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|2,0,0]=4 12025 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|2,0,0]=4 12026 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|2,0,0]=4 12027 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|2,0,0]=4 12028 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [2,0,0,0,0,0|2,0,0]=4 12029 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [2,0,0,0,0,0|2,0,0]=4 12030 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [2,0,0,0,0,0|2,0,0]=4 12031 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [2,0,0,0,0,0|2,0,0]=4 12032 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [2,0,0,0,0,0|2,0,0]=4 12033 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [2,0,0,0,0,0|2,0,0]=4 12034 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [2,0,0,0,0,0|2,0,0]=4 12035 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [2,0,0,0,0,0|2,0,0]=4 12036 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [2,0,0,0,0,0|2,0,0]=4 12037 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [2,0,0,0,0,0|2,0,0]=4 12038 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [2,0,0,0,0,0|2,0,0]=4 12039 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [2,0,0,0,0,0|2,0,0]=4 12040 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [2,0,0,0,0,0|2,0,0]=4 12041 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [2,0,0,0,0,0|2,0,0]=4 12042 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [2,0,0,0,0,0|2,0,0]=4 12043 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [2,0,0,0,0,0|2,0,0]=4 12044 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [2,0,0,0,0,0|2,0,0]=4 12045 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [2,0,0,0,0,0|2,0,0]=4 12046 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [2,0,0,0,0,0|2,0,0]=4 12047 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,0]=3 12048 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,0]=3 12049 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [2,0,0,0,0,0|2,0,0]=4 12050 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [2,0,0,0,0,0|2,0,0]=4 12051 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,0,1]=4 12052 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,0,1]=4 12053 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|2,0,0]=4 12054 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|2,0,0]=4 12055 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [2,0,0,0,0,0|2,0,0]=4 12056 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [2,0,0,0,0,0|2,0,0]=4 12057 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [2,0,0,0,0,0|2,0,0]=4 12058 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [2,0,0,0,0,0|2,0,0]=4 12059 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [2,0,0,0,0,0|2,0,0]=4 12060 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [2,0,0,0,0,0|2,0,0]=4 12061 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [2,0,0,0,0,0|2,0,0]=4 12062 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [2,0,0,0,0,0|1,0,1]=4 12063 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [2,0,0,0,0,0|1,0,1]=4 12064 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [2,0,0,0,0,0|2,0,0]=4 12065 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [2,0,0,0,0,0|2,0,0]=4 12066 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [2,0,0,0,0,0|2,0,0]=4 12067 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [2,0,0,0,0,0|2,0,0]=4 12068 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [2,0,0,0,0,0|2,0,0]=4 12069 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 12070 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 12071 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 12072 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 12073 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [2,0,0,0,0,0|2,0,0]=4 12074 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 12075 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 12076 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 12077 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,1]=4 12078 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|2,0,0]=4 12079 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|2,0,0]=4 12080 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [2,0,0,0,0,0|2,0,0]=4 12081 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [2,0,0,0,0,0|2,0,0]=4 12082 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 12083 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 12084 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [2,0,0,0,0,0|2,0,0]=4 12085 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [2,0,0,0,0,0|2,0,0]=4 12086 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [2,0,0,0,0,0|2,0,0]=4 12087 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [2,0,0,0,0,0|2,0,0]=4 12088 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [2,0,0,0,0,0|2,0,0]=4 12089 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [2,0,0,0,0,0|2,0,0]=4 12090 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [2,0,0,0,0,0|2,0,0]=4 12091 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [2,0,0,0,0,0|2,0,0]=4 12092 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [2,0,0,0,0,0|2,0,0]=4 12093 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [2,0,0,0,0,0|2,0,0]=4 12094 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [2,0,0,0,0,0|2,0,0]=4 12095 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [2,0,0,0,0,0|2,0,0]=4 12096 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [2,0,0,0,0,0|2,0,0]=4 12097 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [2,0,0,0,0,0|2,0,0]=4 12098 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [2,0,0,0,0,0|2,0,0]=4 12099 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [2,0,0,0,0,0|2,0,0]=4 12100 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [2,0,0,0,0,0|2,0,0]=4 12101 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [2,0,0,0,0,0|2,0,0]=4 12102 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,0]=3 12103 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,0]=3 12104 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [2,0,0,0,0,0|2,0,0]=4 12105 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [2,0,0,0,0,0|2,0,0]=4 12106 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [2,0,0,0,0,0|1,0,1]=4 12107 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [2,0,0,0,0,0|1,0,1]=4 12108 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [2,0,0,0,0,0|2,0,0]=4 12109 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [2,0,0,0,0,0|2,0,0]=4 12110 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [2,0,0,0,0,0|2,0,0]=4 12111 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [2,0,0,0,0,0|2,0,0]=4 12112 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [2,0,0,0,0,0|2,0,0]=4 12113 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [2,0,0,0,0,0|2,0,0]=4 12114 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [2,0,0,0,0,0|2,0,0]=4 12115 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,0]=3 12116 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [2,0,0,0,0,0|2,0,0]=4 12117 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [2,0,0,0,0,0|1,0,1]=4 12118 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [2,0,0,0,0,0|1,0,1]=4 12119 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,1]=4 12120 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 12121 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 12122 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 12123 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 12124 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 12125 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 12126 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 12127 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [2,0,0,0,0,0|2,0,0]=4 12128 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 12129 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [2,0,0,0,0,0|2,0,0]=4 12130 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,1]=4 12131 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [2,0,0,0,0,0|2,0,0]=4 12132 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [2,0,0,0,0,0|2,0,0]=4 12133 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [2,0,0,0,0,0|2,0,0]=4 12134 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [2,0,0,0,0,0|2,0,0]=4 12135 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [2,0,0,0,0,0|2,0,0]=4 12136 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [2,0,0,0,0,0|2,0,0]=4 12137 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [2,0,0,0,0,0|2,0,0]=4 12138 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [2,0,0,0,0,0|2,0,0]=4 12139 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [2,0,0,0,0,0|2,0,0]=4 12140 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,0]=3 12141 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,0]=3 12142 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [2,0,0,0,0,0|2,0,0]=4 12143 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [2,0,0,0,0,0|2,0,0]=4 12144 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [2,0,0,0,0,0|1,0,1]=4 12145 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [2,0,0,0,0,0|1,0,1]=4 12146 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [2,0,0,0,0,0|2,0,0]=4 12147 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [2,0,0,0,0,0|2,0,0]=4 12148 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 12149 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|1,0,1]=4 12150 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 12151 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|1,0,1]=4 12152 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|1,0,1]=4 12153 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [2,0,0,0,0,0|2,0,0]=4 12154 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [2,0,0,0,0,0|2,0,0]=4 12155 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [2,0,0,0,0,0|2,0,0]=4 12156 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 12157 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 12158 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 12159 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,1]=4 12160 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|2,0,0]=4 12161 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|2,0,0]=4 12162 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|2,0,0]=4 12163 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|2,0,0]=4 12164 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|2,0,0]=4 12165 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [2,0,0,0,0,0|2,0,0]=4 12166 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [2,0,0,0,0,0|2,0,0]=4 12167 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [2,0,0,0,0,0|2,0,0]=4 12168 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [2,0,0,0,0,0|2,0,0]=4 12169 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [2,0,0,0,0,0|2,0,0]=4 12170 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [2,0,0,0,0,0|2,0,0]=4 12171 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [2,0,0,0,0,0|2,0,0]=4 12172 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [2,0,0,0,0,0|2,0,0]=4 12173 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [2,0,0,0,0,0|2,0,0]=4 12174 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [2,0,0,0,0,0|2,0,0]=4 12175 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [2,0,0,0,0,0|2,0,0]=4 12176 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [2,0,0,0,0,0|2,0,0]=4 12177 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,0,1]=4 12178 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,0,1]=4 12179 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [2,0,0,0,0,0|2,0,0]=4 12180 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [2,0,0,0,0,0|2,0,0]=4 12181 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [2,0,0,0,0,0|2,0,0]=4 12182 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [2,0,0,0,0,0|2,0,0]=4 12183 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [2,0,0,0,0,0|2,0,0]=4 12184 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [2,0,0,0,0,0|2,0,0]=4 12185 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [2,0,0,0,0,0|2,0,0]=4 12186 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [2,0,0,0,0,0|2,0,0]=4 12187 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 12188 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [2,0,0,0,0,0|2,0,0]=4 12189 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [2,0,0,0,0,0|2,0,0]=4 12190 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|2,0,0]=4 12191 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [2,0,0,0,0,0|2,0,0]=4 12192 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [2,0,0,0,0,0|2,0,0]=4 12193 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|2,0,0]=4 12194 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|2,0,0]=4 12195 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [2,0,0,0,0,0|2,0,0]=4 12196 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [2,0,0,0,0,0|2,0,0]=4 12197 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [2,0,0,0,0,0|2,0,0]=4 12198 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|2,0,0]=4 12199 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|2,0,0]=4 12200 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|2,0,0]=4 12201 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 12202 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 12203 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 12204 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 12205 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 12206 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 12207 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 12208 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [2,0,0,0,0,0|2,0,0]=4 12209 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [2,0,0,0,0,0|2,0,0]=4 12210 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 12211 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|2,0,0]=4 12212 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 12213 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 12214 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 12215 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 12216 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 12217 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,0,1]=4 12218 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,0,1]=4 12219 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [1,1,0,0,0,0|1,0,1]=4 12220 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [1,1,0,0,0,0|2,0,0]=4 12221 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [1,1,0,0,0,0|2,0,0]=4 12222 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [1,1,0,0,0,0|2,0,0]=4 12223 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [1,1,0,0,0,0|2,0,0]=4 12224 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|1,0,1]=4 12225 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|1,0,1]=4 12226 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|1,0,1]=4 12227 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 12228 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 12229 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 12230 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,1,0,0,0,0|1,0,0]=3 12231 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [1,1,0,0,0,0|2,0,0]=4 12232 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [1,1,0,0,0,0|2,0,0]=4 12233 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [1,1,0,0,0,0|2,0,0]=4 12234 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,1,0,0,0,0|2,0,0]=4 12235 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [1,1,0,0,0,0|2,0,0]=4 12236 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [1,1,0,0,0,0|1,0,1]=4 12237 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [1,1,0,0,0,0|2,0,0]=4 12238 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [1,1,0,0,0,0|2,0,0]=4 12239 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [1,1,0,0,0,0|2,0,0]=4 12240 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [1,1,0,0,0,0|2,0,0]=4 12241 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [1,1,0,0,0,0|2,0,0]=4 12242 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [1,1,0,0,0,0|1,0,1]=4 12243 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [1,1,0,0,0,0|1,0,1]=4 12244 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [1,1,0,0,0,0|1,0,1]=4 12245 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [1,1,0,0,0,0|2,0,0]=4 12246 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [1,1,0,0,0,0|2,0,0]=4 12247 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [1,1,0,0,0,0|2,0,0]=4 12248 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [1,1,0,0,0,0|2,0,0]=4 12249 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [1,1,0,0,0,0|1,0,1]=4 12250 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [1,1,0,0,0,0|1,0,1]=4 12251 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [1,1,0,0,0,0|2,0,0]=4 12252 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [1,1,0,0,0,0|2,0,0]=4 12253 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [1,1,0,0,0,0|2,0,0]=4 12254 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [1,1,0,0,0,0|2,0,0]=4 12255 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [1,1,0,0,0,0|1,0,1]=4 12256 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [1,1,0,0,0,0|2,0,0]=4 12257 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [1,1,0,0,0,0|2,0,0]=4 12258 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [1,1,0,0,0,0|2,0,0]=4 12259 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [1,1,0,0,0,0|1,0,1]=4 12260 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [1,1,0,0,0,0|1,0,1]=4 12261 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [1,1,0,0,0,0|2,0,0]=4 12262 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [1,1,0,0,0,0|2,0,0]=4 12263 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [1,1,0,0,0,0|0,0,2]=4 12264 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [1,1,0,0,0,0|2,0,0]=4 12265 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|0,0,0]=2 12266 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [1,1,0,0,0,0|1,0,1]=4 12267 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [1,1,0,0,0,0|1,0,1]=4 12268 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [1,1,0,0,0,0|1,0,0]=3 12269 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [1,1,0,0,0,0|1,0,0]=3 12270 B11R0.30 CC(=O)CCCCNCC(F)F 34a_100000765723_100009817362 [1,1,0,0,0,0|2,0,0]=4 12271 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [1,1,0,0,0,0|1,0,1]=4 12272 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [1,1,0,0,0,0|1,0,0]=3 12273 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [1,1,0,0,0,0|1,0,0]=3 12274 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [1,1,0,0,0,0|1,0,0]=3 12275 B11R0.30 CC(=O)CCCCOCC(F)F 34a_100000743014_100009817362 [1,1,0,0,0,0|2,0,0]=4 12276 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [1,1,0,0,0,0|1,0,0]=3 12277 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [1,1,0,0,0,0|1,0,0]=3 12278 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [1,1,0,0,0,0|1,0,0]=3 12279 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [1,1,0,0,0,0|1,0,0]=3 12280 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [1,1,0,0,0,0|1,0,0]=3 12281 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [1,1,0,0,0,0|1,0,0]=3 12282 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100000735457_100011934356 [1,1,0,0,0,0|2,0,0]=4 12283 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100011934356_100000735457 [1,1,0,0,0,0|2,0,0]=4 12284 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [1,1,0,0,0,0|1,0,0]=3 12285 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [1,1,0,0,0,0|1,0,0]=3 12286 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [1,1,0,0,0,0|1,0,1]=4 12287 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [1,1,0,0,0,0|1,0,1]=4 12288 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [1,1,0,0,0,0|1,0,1]=4 12289 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [1,1,0,0,0,0|1,0,0]=3 12290 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [1,1,0,0,0,0|1,0,0]=3 12291 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [1,1,0,0,0,0|1,0,0]=3 12292 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [1,1,0,0,0,0|1,0,0]=3 12293 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [1,1,0,0,0,0|1,0,0]=3 12294 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [1,1,0,0,0,0|1,0,0]=3 12295 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [1,1,0,0,0,0|1,0,0]=3 12296 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [1,1,0,0,0,0|2,0,0]=4 12297 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [1,1,0,0,0,0|2,0,0]=4 12298 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,1,0,0,0,0|1,0,0]=3 12299 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [1,1,0,0,0,0|2,0,0]=4 12300 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [1,1,0,0,0,0|1,0,1]=4 12301 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [1,1,0,0,0,0|1,0,1]=4 12302 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [1,1,0,0,0,0|1,0,0]=3 12303 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [1,1,0,0,0,0|1,0,0]=3 12304 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [1,1,0,0,0,0|1,0,0]=3 12305 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [1,1,0,0,0,0|1,0,0]=3 12306 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [1,1,0,0,0,0|2,0,0]=4 12307 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100000709892_100011215641 [1,1,0,0,0,0|2,0,0]=4 12308 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100011215641_100000709892 [1,1,0,0,0,0|2,0,0]=4 12309 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,1,0,0,0,0|1,0,0]=3 12310 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,1,0,0,0,0|1,0,0]=3 12311 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,1,0,0,0,0|1,0,0]=3 12312 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,1,0,0,0,0|1,0,0]=3 12313 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,1,0,0,0,0|1,0,0]=3 12314 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [1,1,0,0,0,0|2,0,0]=4 12315 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [1,1,0,0,0,0|2,0,0]=4 12316 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [1,1,0,0,0,0|2,0,0]=4 12317 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [1,1,0,0,0,0|2,0,0]=4 12318 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [1,1,0,0,0,0|2,0,0]=4 12319 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [1,1,0,0,0,0|2,0,0]=4 12320 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [1,1,0,0,0,0|2,0,0]=4 12321 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,1,0,0,0,0|1,0,0]=3 12322 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,1,0,0,0,0|1,0,0]=3 12323 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [1,1,0,0,0,0|1,0,0]=3 12324 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [1,1,0,0,0,0|1,0,0]=3 12325 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [1,1,0,0,0,0|2,0,0]=4 12326 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [1,1,0,0,0,0|2,0,0]=4 12327 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [1,1,0,0,0,0|2,0,0]=4 12328 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [1,1,0,0,0,0|2,0,0]=4 12329 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [1,1,0,0,0,0|2,0,0]=4 12330 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [1,1,0,0,0,0|1,0,0]=3 12331 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [1,1,0,0,0,0|1,0,1]=4 12332 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,1,0,0,0,0|1,0,0]=3 12333 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,1,0,0,0,0|1,0,0]=3 12334 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,1,0,0,0,0|1,0,0]=3 12335 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [1,1,0,0,0,0|2,0,0]=4 12336 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [1,1,0,0,0,0|2,0,0]=4 12337 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [1,1,0,0,0,0|2,0,0]=4 12338 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [1,1,0,0,0,0|2,0,0]=4 12339 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [1,1,0,0,0,0|2,0,0]=4 12340 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [1,1,0,0,0,0|2,0,0]=4 12341 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [1,1,0,0,0,0|2,0,0]=4 12342 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 12343 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 12344 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 12345 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [1,1,0,0,0,0|2,0,0]=4 12346 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [1,1,0,0,0,0|2,0,0]=4 12347 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [1,1,0,0,0,0|2,0,0]=4 12348 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [1,1,0,0,0,0|2,0,0]=4 12349 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [1,1,0,0,0,0|2,0,0]=4 12350 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [1,1,0,0,0,0|2,0,0]=4 12351 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [1,1,0,0,0,0|2,0,0]=4 12352 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [1,1,0,0,0,0|2,0,0]=4 12353 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [1,1,0,0,0,0|2,0,0]=4 12354 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [1,1,0,0,0,0|2,0,0]=4 12355 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [1,1,0,0,0,0|2,0,0]=4 12356 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [1,1,0,0,0,0|2,0,0]=4 12357 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [1,1,0,0,0,0|2,0,0]=4 12358 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [1,1,0,0,0,0|2,0,0]=4 12359 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [1,1,0,0,0,0|2,0,0]=4 12360 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [1,1,0,0,0,0|2,0,0]=4 12361 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [1,1,0,0,0,0|2,0,0]=4 12362 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [1,1,0,0,0,0|2,0,0]=4 12363 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [1,1,0,0,0,0|2,0,0]=4 12364 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [1,1,0,0,0,0|2,0,0]=4 12365 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [1,1,0,0,0,0|2,0,0]=4 12366 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [1,1,0,0,0,0|2,0,0]=4 12367 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [1,1,0,0,0,0|2,0,0]=4 12368 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [1,1,0,0,0,0|2,0,0]=4 12369 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [1,1,0,0,0,0|2,0,0]=4 12370 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [1,1,0,0,0,0|2,0,0]=4 12371 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [1,1,0,0,0,0|2,0,0]=4 12372 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [1,1,0,0,0,0|2,0,0]=4 12373 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [1,1,0,0,0,0|2,0,0]=4 12374 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [1,1,0,0,0,0|2,0,0]=4 12375 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [1,1,0,0,0,0|2,0,0]=4 12376 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [1,1,0,0,0,0|2,0,0]=4 12377 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [1,1,0,0,0,0|2,0,0]=4 12378 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [1,1,0,0,0,0|2,0,0]=4 12379 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [1,1,0,0,0,0|2,0,0]=4 12380 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [1,1,0,0,0,0|2,0,0]=4 12381 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [1,1,0,0,0,0|2,0,0]=4 12382 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [1,1,0,0,0,0|2,0,0]=4 12383 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [1,1,0,0,0,0|2,0,0]=4 12384 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [1,1,0,0,0,0|2,0,0]=4 12385 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [1,1,0,0,0,0|2,0,0]=4 12386 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [1,1,0,0,0,0|2,0,0]=4 12387 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [1,1,0,0,0,0|2,0,0]=4 12388 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [1,1,0,0,0,0|2,0,0]=4 12389 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [1,1,0,0,0,0|2,0,0]=4 12390 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [1,1,0,0,0,0|2,0,0]=4 12391 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [1,1,0,0,0,0|2,0,0]=4 12392 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [1,1,0,0,0,0|2,0,0]=4 12393 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [1,1,0,0,0,0|2,0,0]=4 12394 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [1,1,0,0,0,0|2,0,0]=4 12395 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [1,1,0,0,0,0|2,0,0]=4 12396 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [1,1,0,0,0,0|2,0,0]=4 12397 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [1,1,0,0,0,0|2,0,0]=4 12398 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [1,1,0,0,0,0|2,0,0]=4 12399 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [1,1,0,0,0,0|2,0,0]=4 12400 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [1,1,0,0,0,0|2,0,0]=4 12401 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [1,1,0,0,0,0|2,0,0]=4 12402 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [1,1,0,0,0,0|2,0,0]=4 12403 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [1,1,0,0,0,0|2,0,0]=4 12404 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [1,1,0,0,0,0|2,0,0]=4 12405 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [1,1,0,0,0,0|2,0,0]=4 12406 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [1,1,0,0,0,0|2,0,0]=4 12407 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [1,1,0,0,0,0|2,0,0]=4 12408 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [1,1,0,0,0,0|2,0,0]=4 12409 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [1,1,0,0,0,0|2,0,0]=4 12410 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [1,1,0,0,0,0|2,0,0]=4 12411 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [1,1,0,0,0,0|2,0,0]=4 12412 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [1,1,0,0,0,0|2,0,0]=4 12413 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [1,1,0,0,0,0|2,0,0]=4 12414 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [1,1,0,0,0,0|2,0,0]=4 12415 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [1,1,0,0,0,0|2,0,0]=4 12416 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [1,1,0,0,0,0|2,0,0]=4 12417 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [1,1,0,0,0,0|0,0,2]=4 12418 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|0,0,0]=2 12419 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [1,1,0,0,0,0|2,0,0]=4 12420 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|2,0,0]=4 12421 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [1,1,0,0,0,0|2,0,0]=4 12422 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [1,1,0,0,0,0|2,0,0]=4 12423 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [1,1,0,0,0,0|2,0,0]=4 12424 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [1,1,0,0,0,0|2,0,0]=4 12425 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [1,1,0,0,0,0|2,0,0]=4 12426 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [1,1,0,0,0,0|2,0,0]=4 12427 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [1,1,0,0,0,0|2,0,0]=4 12428 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [1,1,0,0,0,0|2,0,0]=4 12429 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [1,1,0,0,0,0|2,0,0]=4 12430 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [1,1,0,0,0,0|2,0,0]=4 12431 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 12432 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [1,1,0,0,0,0|2,0,0]=4 12433 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 12434 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [1,1,0,0,0,0|2,0,0]=4 12435 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [1,1,0,0,0,0|2,0,0]=4 12436 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [1,1,0,0,0,0|2,0,0]=4 12437 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [1,1,0,0,0,0|2,0,0]=4 12438 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [1,1,0,0,0,0|2,0,0]=4 12439 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [1,1,0,0,0,0|2,0,0]=4 12440 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [1,1,0,0,0,0|2,0,0]=4 12441 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [1,1,0,0,0,0|2,0,0]=4 12442 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [1,1,0,0,0,0|2,0,0]=4 12443 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [1,1,0,0,0,0|2,0,0]=4 12444 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [1,1,0,0,0,0|2,0,0]=4 12445 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [1,1,0,0,0,0|2,0,0]=4 12446 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [1,1,0,0,0,0|2,0,0]=4 12447 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [1,1,0,0,0,0|2,0,0]=4 12448 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [1,1,0,0,0,0|2,0,0]=4 12449 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [1,1,0,0,0,0|2,0,0]=4 12450 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [1,1,0,0,0,0|2,0,0]=4 12451 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [1,1,0,0,0,0|2,0,0]=4 12452 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [1,1,0,0,0,0|2,0,0]=4 12453 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [1,1,0,0,0,0|2,0,0]=4 12454 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [1,1,0,0,0,0|2,0,0]=4 12455 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 12456 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 12457 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [1,1,0,0,0,0|2,0,0]=4 12458 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [1,1,0,0,0,0|2,0,0]=4 12459 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [1,1,0,0,0,0|2,0,0]=4 12460 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [1,1,0,0,0,0|2,0,0]=4 12461 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [1,1,0,0,0,0|2,0,0]=4 12462 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [1,1,0,0,0,0|2,0,0]=4 12463 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [1,1,0,0,0,0|2,0,0]=4 12464 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [1,1,0,0,0,0|2,0,0]=4 12465 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [1,1,0,0,0,0|2,0,0]=4 12466 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [1,1,0,0,0,0|2,0,0]=4 12467 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [1,1,0,0,0,0|2,0,0]=4 12468 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [1,1,0,0,0,0|2,0,0]=4 12469 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [1,1,0,0,0,0|2,0,0]=4 12470 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,1,0,0,0,0|0,0,1]=3 12471 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [1,1,0,0,0,0|1,0,1]=4 12472 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [1,1,0,0,0,0|1,0,1]=4 12473 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [1,1,0,0,0,0|0,0,2]=4 12474 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [1,1,0,0,0,0|0,0,2]=4 12475 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [1,1,0,0,0,0|0,0,2]=4 12476 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [1,1,0,0,0,0|0,0,2]=4 12477 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [1,1,0,0,0,0|0,0,2]=4 12478 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [1,1,0,0,0,0|0,0,2]=4 12479 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [1,1,0,0,0,0|0,0,2]=4 12480 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [1,1,0,0,0,0|0,0,2]=4 12481 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|0,0,1]=3 12482 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,1,0,0,0,0|1,0,1]=4 12483 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [1,1,0,0,0,0|1,0,1]=4 12484 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [1,1,0,0,0,0|1,0,1]=4 12485 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [1,1,0,0,0,0|1,0,1]=4 12486 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,1,0,0,0,0|0,0,2]=4 12487 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,1,0,0,0,0|0,0,2]=4 12488 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [1,1,0,0,0,0|0,0,2]=4 12489 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,1,0,0,0,0|0,0,2]=4 12490 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [1,1,0,0,0,0|0,0,2]=4 12491 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [1,1,0,0,0,0|0,0,2]=4 12492 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [1,1,0,0,0,0|0,0,2]=4 12493 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [1,1,0,0,0,0|0,0,2]=4 12494 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [1,1,0,0,0,0|1,0,1]=4 12495 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|1,0,0]=3 12496 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|1,0,0]=3 12497 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,1,0,0,0,0|1,0,0]=3 12498 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [1,1,0,0,0,0|2,0,0]=4 12499 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [1,1,0,0,0,0|2,0,0]=4 12500 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [1,1,0,0,0,0|2,0,0]=4 12501 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [1,1,0,0,0,0|2,0,0]=4 12502 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [1,1,0,0,0,0|2,0,0]=4 12503 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [1,1,0,0,0,0|2,0,0]=4 12504 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [1,1,0,0,0,0|2,0,0]=4 12505 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [1,1,0,0,0,0|2,0,0]=4 12506 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [1,1,0,0,0,0|2,0,0]=4 12507 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [1,1,0,0,0,0|2,0,0]=4 12508 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [1,1,0,0,0,0|2,0,0]=4 12509 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [1,1,0,0,0,0|2,0,0]=4 12510 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [1,1,0,0,0,0|2,0,0]=4 12511 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [1,1,0,0,0,0|2,0,0]=4 12512 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [1,1,0,0,0,0|2,0,0]=4 12513 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [1,1,0,0,0,0|2,0,0]=4 12514 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [1,1,0,0,0,0|2,0,0]=4 12515 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [1,1,0,0,0,0|2,0,0]=4 12516 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [1,1,0,0,0,0|2,0,0]=4 12517 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [1,1,0,0,0,0|2,0,0]=4 12518 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,1,0,0,0,0|0,0,2]=4 12519 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [1,1,0,0,0,0|0,0,2]=4 12520 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [1,1,0,0,0,0|0,0,2]=4 12521 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [1,1,0,0,0,0|0,0,2]=4 12522 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [1,1,0,0,0,0|0,0,2]=4 12523 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [1,1,0,0,0,0|0,0,2]=4 12524 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [1,1,0,0,0,0|0,0,2]=4 12525 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,1,0,0,0,0|0,0,2]=4 12526 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [1,1,0,0,0,0|0,0,2]=4 12527 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [1,1,0,0,0,0|0,0,2]=4 12528 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [1,1,0,0,0,0|0,0,2]=4 12529 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [1,1,0,0,0,0|0,0,2]=4 12530 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|0,0,0]=2 12531 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|0,0,0]=2 12532 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|0,0,0]=2 12533 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,0]=2 12534 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|0,0,0]=2 12535 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|0,0,0]=2 12536 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|0,0,0]=2 12537 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|0,0,0]=2 12538 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [1,1,0,0,0,0|1,0,1]=4 12539 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,1,0,0,0,0|0,0,2]=4 12540 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,1,0,0,0,0|0,0,2]=4 12541 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,1,0,0,0,0|0,0,2]=4 12542 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,1,0,0,0,0|0,0,2]=4 12543 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,1,0,0,0,0|2,0,0]=4 12544 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,1,0,0,0,0|2,0,0]=4 12545 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,1,0,0,0,0|2,0,0]=4 12546 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,1,0,0,0,0|2,0,0]=4 12547 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [1,1,0,0,0,0|2,0,0]=4 12548 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,1,0,0,0,0|1,0,0]=3 12549 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,1,0,0,0,0|1,0,0]=3 12550 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,1,0,0,0,0|1,0,0]=3 12551 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,1,0,0,0,0|1,0,0]=3 12552 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 12553 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 12554 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,1,0,0,0,0|1,0,0]=3 12555 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,1,0,0,0,0|1,0,0]=3 12556 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,1,0,0,0,0|1,0,0]=3 12557 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,1,0,0,0,0|1,0,0]=3 12558 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,1,0,0,0,0|1,0,0]=3 12559 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,1,0,0,0,0|1,0,0]=3 12560 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [1,1,0,0,0,0|1,0,0]=3 12561 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [1,1,0,0,0,0|1,0,0]=3 12562 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|1,0,0]=3 12563 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,1,0,0,0,0|1,0,0]=3 12564 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,1,0,0,0,0|1,0,0]=3 12565 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [1,1,0,0,0,0|1,0,0]=3 12566 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [1,1,0,0,0,0|1,0,0]=3 12567 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [1,1,0,0,0,0|1,0,0]=3 12568 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|1,0,0]=3 12569 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|1,0,0]=3 12570 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,1,0,0,0,0|1,0,0]=3 12571 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,1,0,0,0,0|1,0,0]=3 12572 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [1,1,0,0,0,0|1,0,0]=3 12573 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [1,1,0,0,0,0|1,0,0]=3 12574 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|1,0,0]=3 12575 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|1,0,0]=3 12576 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [1,1,0,0,0,0|1,0,0]=3 12577 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [1,1,0,0,0,0|1,0,0]=3 12578 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [1,1,0,0,0,0|1,0,0]=3 12579 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|1,0,0]=3 12580 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [1,1,0,0,0,0|1,0,0]=3 12581 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [1,1,0,0,0,0|1,0,0]=3 12582 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [1,1,0,0,0,0|1,0,0]=3 12583 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|1,0,0]=3 12584 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|1,0,0]=3 12585 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [1,1,0,0,0,0|1,0,0]=3 12586 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [1,1,0,0,0,0|1,0,0]=3 12587 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|1,0,0]=3 12588 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|1,0,0]=3 12589 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,1,0,0,0,0|2,0,0]=4 12590 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [1,1,0,0,0,0|1,0,0]=3 12591 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [1,1,0,0,0,0|1,0,0]=3 12592 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [1,1,0,0,0,0|1,0,0]=3 12593 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [1,1,0,0,0,0|1,0,0]=3 12594 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|1,0,0]=3 12595 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|1,0,0]=3 12596 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [1,1,0,0,0,0|2,0,0]=4 12597 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [1,1,0,0,0,0|2,0,0]=4 12598 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [1,1,0,0,0,0|2,0,0]=4 12599 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [1,1,0,0,0,0|1,0,0]=3 12600 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [1,1,0,0,0,0|1,0,0]=3 12601 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [1,1,0,0,0,0|2,0,0]=4 12602 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|1,0,0]=3 12603 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|1,0,0]=3 12604 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [1,1,0,0,0,0|2,0,0]=4 12605 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [1,1,0,0,0,0|2,0,0]=4 12606 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [1,1,0,0,0,0|2,0,0]=4 12607 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,1,0,0,0,0|2,0,0]=4 12608 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [1,1,0,0,0,0|2,0,0]=4 12609 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [1,1,0,0,0,0|2,0,0]=4 12610 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,1,0,0,0,0|2,0,0]=4 12611 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [1,1,0,0,0,0|2,0,0]=4 12612 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [1,1,0,0,0,0|2,0,0]=4 12613 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [1,1,0,0,0,0|2,0,0]=4 12614 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [1,1,0,0,0,0|2,0,0]=4 12615 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [1,1,0,0,0,0|2,0,0]=4 12616 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [1,1,0,0,0,0|2,0,0]=4 12617 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [1,1,0,0,0,0|2,0,0]=4 12618 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [1,1,0,0,0,0|2,0,0]=4 12619 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [1,1,0,0,0,0|2,0,0]=4 12620 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [1,1,0,0,0,0|1,0,0]=3 12621 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [1,1,0,0,0,0|1,0,0]=3 12622 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|1,0,0]=3 12623 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|1,0,0]=3 12624 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [1,1,0,0,0,0|2,0,0]=4 12625 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [1,1,0,0,0,0|2,0,0]=4 12626 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [1,1,0,0,0,0|2,0,0]=4 12627 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [1,1,0,0,0,0|2,0,0]=4 12628 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 12629 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 12630 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [1,1,0,0,0,0|2,0,0]=4 12631 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [1,1,0,0,0,0|2,0,0]=4 12632 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [1,1,0,0,0,0|2,0,0]=4 12633 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [1,1,0,0,0,0|2,0,0]=4 12634 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [1,1,0,0,0,0|2,0,0]=4 12635 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [1,1,0,0,0,0|2,0,0]=4 12636 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [1,1,0,0,0,0|2,0,0]=4 12637 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [1,1,0,0,0,0|2,0,0]=4 12638 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|1,0,0]=3 12639 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|1,0,0]=3 12640 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|1,0,0]=3 12641 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [1,1,0,0,0,0|2,0,0]=4 12642 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [1,1,0,0,0,0|2,0,0]=4 12643 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [1,1,0,0,0,0|2,0,0]=4 12644 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 12645 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 12646 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [1,1,0,0,0,0|2,0,0]=4 12647 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [1,1,0,0,0,0|2,0,0]=4 12648 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [1,1,0,0,0,0|2,0,0]=4 12649 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [1,1,0,0,0,0|2,0,0]=4 12650 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [1,1,0,0,0,0|2,0,0]=4 12651 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [1,1,0,0,0,0|2,0,0]=4 12652 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [1,1,0,0,0,0|2,0,0]=4 12653 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [1,1,0,0,0,0|2,0,0]=4 12654 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [1,1,0,0,0,0|2,0,0]=4 12655 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [1,1,0,0,0,0|2,0,0]=4 12656 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [1,1,0,0,0,0|2,0,0]=4 12657 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [1,1,0,0,0,0|2,0,0]=4 12658 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [1,1,0,0,0,0|2,0,0]=4 12659 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [1,1,0,0,0,0|2,0,0]=4 12660 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [1,1,0,0,0,0|2,0,0]=4 12661 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [1,1,0,0,0,0|2,0,0]=4 12662 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [1,1,0,0,0,0|2,0,0]=4 12663 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [1,1,0,0,0,0|2,0,0]=4 12664 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [1,1,0,0,0,0|2,0,0]=4 12665 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [1,1,0,0,0,0|2,0,0]=4 12666 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [1,1,0,0,0,0|2,0,0]=4 12667 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [1,1,0,0,0,0|2,0,0]=4 12668 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [1,1,0,0,0,0|2,0,0]=4 12669 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [1,1,0,0,0,0|2,0,0]=4 12670 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [1,1,0,0,0,0|2,0,0]=4 12671 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|1,0,0]=3 12672 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|1,0,0]=3 12673 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [1,1,0,0,0,0|2,0,0]=4 12674 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [1,1,0,0,0,0|2,0,0]=4 12675 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [1,1,0,0,0,0|2,0,0]=4 12676 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [1,1,0,0,0,0|2,0,0]=4 12677 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [1,1,0,0,0,0|2,0,0]=4 12678 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [1,1,0,0,0,0|2,0,0]=4 12679 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [1,1,0,0,0,0|2,0,0]=4 12680 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [1,1,0,0,0,0|2,0,0]=4 12681 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [1,1,0,0,0,0|2,0,0]=4 12682 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|1,0,0]=3 12683 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|1,0,0]=3 12684 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|1,0,0]=3 12685 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|1,0,0]=3 12686 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [1,1,0,0,0,0|2,0,0]=4 12687 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [1,1,0,0,0,0|2,0,0]=4 12688 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [1,1,0,0,0,0|2,0,0]=4 12689 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [1,1,0,0,0,0|2,0,0]=4 12690 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [1,1,0,0,0,0|2,0,0]=4 12691 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [1,1,0,0,0,0|2,0,0]=4 12692 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [1,1,0,0,0,0|2,0,0]=4 12693 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [1,1,0,0,0,0|2,0,0]=4 12694 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [1,1,0,0,0,0|2,0,0]=4 12695 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [1,1,0,0,0,0|2,0,0]=4 12696 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [1,1,0,0,0,0|2,0,0]=4 12697 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [1,1,0,0,0,0|2,0,0]=4 12698 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [1,1,0,0,0,0|2,0,0]=4 12699 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [1,1,0,0,0,0|2,0,0]=4 12700 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [1,1,0,0,0,0|2,0,0]=4 12701 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [1,1,0,0,0,0|2,0,0]=4 12702 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [1,1,0,0,0,0|2,0,0]=4 12703 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [1,1,0,0,0,0|2,0,0]=4 12704 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [1,1,0,0,0,0|2,0,0]=4 12705 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [1,1,0,0,0,0|2,0,0]=4 12706 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [1,1,0,0,0,0|2,0,0]=4 12707 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [1,1,0,0,0,0|2,0,0]=4 12708 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [1,1,0,0,0,0|2,0,0]=4 12709 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [1,1,0,0,0,0|2,0,0]=4 12710 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [1,1,0,0,0,0|2,0,0]=4 12711 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [1,1,0,0,0,0|2,0,0]=4 12712 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [1,1,0,0,0,0|2,0,0]=4 12713 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [1,1,0,0,0,0|2,0,0]=4 12714 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [1,1,0,0,0,0|2,0,0]=4 12715 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [1,1,0,0,0,0|2,0,0]=4 12716 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [1,1,0,0,0,0|2,0,0]=4 12717 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [1,1,0,0,0,0|2,0,0]=4 12718 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [1,1,0,0,0,0|2,0,0]=4 12719 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [1,1,0,0,0,0|2,0,0]=4 12720 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [1,1,0,0,0,0|2,0,0]=4 12721 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [1,1,0,0,0,0|2,0,0]=4 12722 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [1,1,0,0,0,0|2,0,0]=4 12723 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [1,1,0,0,0,0|2,0,0]=4 12724 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [1,1,0,0,0,0|2,0,0]=4 12725 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|1,0,0]=3 12726 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|1,0,0]=3 12727 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [1,1,0,0,0,0|2,0,0]=4 12728 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [1,1,0,0,0,0|2,0,0]=4 12729 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [1,1,0,0,0,0|2,0,0]=4 12730 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [1,1,0,0,0,0|2,0,0]=4 12731 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [1,1,0,0,0,0|2,0,0]=4 12732 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [1,1,0,0,0,0|2,0,0]=4 12733 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [1,1,0,0,0,0|2,0,0]=4 12734 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [1,1,0,0,0,0|2,0,0]=4 12735 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [1,1,0,0,0,0|2,0,0]=4 12736 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [1,1,0,0,0,0|2,0,0]=4 12737 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [1,1,0,0,0,0|2,0,0]=4 12738 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [1,1,0,0,0,0|2,0,0]=4 12739 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [1,1,0,0,0,0|2,0,0]=4 12740 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [1,1,0,0,0,0|2,0,0]=4 12741 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [1,1,0,0,0,0|2,0,0]=4 12742 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [1,1,0,0,0,0|2,0,0]=4 12743 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [1,1,0,0,0,0|2,0,0]=4 12744 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [1,1,0,0,0,0|2,0,0]=4 12745 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,1,0,0,0,0|1,0,0]=3 12746 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [1,1,0,0,0,0|2,0,0]=4 12747 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [1,1,0,0,0,0|2,0,0]=4 12748 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [1,1,0,0,0,0|2,0,0]=4 12749 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [1,1,0,0,0,0|2,0,0]=4 12750 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [1,1,0,0,0,0|2,0,0]=4 12751 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [1,1,0,0,0,0|2,0,0]=4 12752 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [1,1,0,0,0,0|2,0,0]=4 12753 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [1,1,0,0,0,0|2,0,0]=4 12754 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [1,1,0,0,0,0|2,0,0]=4 12755 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [1,1,0,0,0,0|2,0,0]=4 12756 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [1,1,0,0,0,0|2,0,0]=4 12757 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [1,1,0,0,0,0|2,0,0]=4 12758 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [1,1,0,0,0,0|2,0,0]=4 12759 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [1,1,0,0,0,0|2,0,0]=4 12760 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [1,1,0,0,0,0|2,0,0]=4 12761 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [1,1,0,0,0,0|2,0,0]=4 12762 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [1,1,0,0,0,0|2,0,0]=4 12763 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [1,1,0,0,0,0|2,0,0]=4 12764 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [1,1,0,0,0,0|2,0,0]=4 12765 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [1,1,0,0,0,0|2,0,0]=4 12766 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [1,1,0,0,0,0|2,0,0]=4 12767 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [1,1,0,0,0,0|2,0,0]=4 12768 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [1,1,0,0,0,0|2,0,0]=4 12769 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [1,1,0,0,0,0|2,0,0]=4 12770 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [1,1,0,0,0,0|2,0,0]=4 12771 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [1,1,0,0,0,0|2,0,0]=4 12772 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [1,1,0,0,0,0|2,0,0]=4 12773 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [1,1,0,0,0,0|2,0,0]=4 12774 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [1,1,0,0,0,0|2,0,0]=4 12775 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [1,1,0,0,0,0|2,0,0]=4 12776 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [1,1,0,0,0,0|2,0,0]=4 12777 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [1,1,0,0,0,0|2,0,0]=4 12778 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [1,1,0,0,0,0|2,0,0]=4 12779 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [1,1,0,0,0,0|2,0,0]=4 12780 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [1,1,0,0,0,0|2,0,0]=4 12781 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [1,1,0,0,0,0|2,0,0]=4 12782 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [1,1,0,0,0,0|2,0,0]=4 12783 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [1,1,0,0,0,0|2,0,0]=4 12784 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [1,1,0,0,0,0|2,0,0]=4 12785 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [1,1,0,0,0,0|2,0,0]=4 12786 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [1,1,0,0,0,0|2,0,0]=4 12787 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [1,1,0,0,0,0|2,0,0]=4 12788 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [1,1,0,0,0,0|2,0,0]=4 12789 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [1,1,0,0,0,0|2,0,0]=4 12790 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [1,1,0,0,0,0|2,0,0]=4 12791 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [1,1,0,0,0,0|2,0,0]=4 12792 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [1,1,0,0,0,0|2,0,0]=4 12793 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [1,1,0,0,0,0|2,0,0]=4 12794 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [1,1,0,0,0,0|2,0,0]=4 12795 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [1,1,0,0,0,0|2,0,0]=4 12796 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [1,1,0,0,0,0|2,0,0]=4 12797 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [1,1,0,0,0,0|2,0,0]=4 12798 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [1,1,0,0,0,0|2,0,0]=4 12799 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [1,1,0,0,0,0|2,0,0]=4 12800 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [1,1,0,0,0,0|2,0,0]=4 12801 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [1,1,0,0,0,0|2,0,0]=4 12802 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [1,1,0,0,0,0|2,0,0]=4 12803 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [1,1,0,0,0,0|2,0,0]=4 12804 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [1,1,0,0,0,0|2,0,0]=4 12805 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [1,1,0,0,0,0|2,0,0]=4 12806 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [1,1,0,0,0,0|2,0,0]=4 12807 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [1,1,0,0,0,0|2,0,0]=4 12808 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [1,1,0,0,0,0|2,0,0]=4 12809 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [1,1,0,0,0,0|2,0,0]=4 12810 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [1,1,0,0,0,0|2,0,0]=4 12811 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [1,1,0,0,0,0|2,0,0]=4 12812 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [1,1,0,0,0,0|2,0,0]=4 12813 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [1,1,0,0,0,0|2,0,0]=4 12814 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [1,1,0,0,0,0|2,0,0]=4 12815 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [1,1,0,0,0,0|2,0,0]=4 12816 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [1,1,0,0,0,0|2,0,0]=4 12817 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [1,1,0,0,0,0|2,0,0]=4 12818 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [1,1,0,0,0,0|2,0,0]=4 12819 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [1,1,0,0,0,0|2,0,0]=4 12820 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [1,1,0,0,0,0|2,0,0]=4 12821 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [1,1,0,0,0,0|2,0,0]=4 12822 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [1,1,0,0,0,0|2,0,0]=4 12823 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [1,1,0,0,0,0|2,0,0]=4 12824 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [1,1,0,0,0,0|2,0,0]=4 12825 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [1,1,0,0,0,0|2,0,0]=4 12826 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [1,1,0,0,0,0|2,0,0]=4 12827 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [1,1,0,0,0,0|2,0,0]=4 12828 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [1,1,0,0,0,0|2,0,0]=4 12829 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [1,1,0,0,0,0|2,0,0]=4 12830 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [1,1,0,0,0,0|2,0,0]=4 12831 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [1,1,0,0,0,0|2,0,0]=4 12832 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [1,1,0,0,0,0|2,0,0]=4 12833 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [1,1,0,0,0,0|2,0,0]=4 12834 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [1,1,0,0,0,0|2,0,0]=4 12835 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [1,1,0,0,0,0|2,0,0]=4 12836 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [1,1,0,0,0,0|2,0,0]=4 12837 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|1,0,0]=3 12838 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|1,0,0]=3 12839 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|1,0,0]=3 12840 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [1,1,0,0,0,0|2,0,0]=4 12841 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [1,1,0,0,0,0|2,0,0]=4 12842 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|1,0,0]=3 12843 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|1,0,0]=3 12844 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|1,0,0]=3 12845 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|1,0,0]=3 12846 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|1,0,0]=3 12847 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|1,0,0]=3 12848 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 12849 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 12850 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [1,1,0,0,0,0|2,0,0]=4 12851 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [1,1,0,0,0,0|2,0,0]=4 12852 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [1,1,0,0,0,0|2,0,0]=4 12853 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [1,1,0,0,0,0|2,0,0]=4 12854 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [1,1,0,0,0,0|2,0,0]=4 12855 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 12856 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 12857 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 12858 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [1,1,0,0,0,0|2,0,0]=4 12859 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 12860 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 12861 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [1,1,0,0,0,0|2,0,0]=4 12862 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [1,1,0,0,0,0|2,0,0]=4 12863 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [1,1,0,0,0,0|2,0,0]=4 12864 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [1,1,0,0,0,0|2,0,0]=4 12865 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 12866 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [1,1,0,0,0,0|2,0,0]=4 12867 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [1,1,0,0,0,0|2,0,0]=4 12868 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [1,1,0,0,0,0|2,0,0]=4 12869 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [1,1,0,0,0,0|2,0,0]=4 12870 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [1,1,0,0,0,0|2,0,0]=4 12871 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [1,1,0,0,0,0|2,0,0]=4 12872 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [1,1,0,0,0,0|2,0,0]=4 12873 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [1,1,0,0,0,0|2,0,0]=4 12874 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [1,1,0,0,0,0|2,0,0]=4 12875 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [1,1,0,0,0,0|2,0,0]=4 12876 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [1,1,0,0,0,0|2,0,0]=4 12877 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [1,1,0,0,0,0|2,0,0]=4 12878 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [1,1,0,0,0,0|2,0,0]=4 12879 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [1,1,0,0,0,0|2,0,0]=4 12880 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [1,1,0,0,0,0|2,0,0]=4 12881 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [1,1,0,0,0,0|2,0,0]=4 12882 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [1,1,0,0,0,0|2,0,0]=4 12883 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [1,1,0,0,0,0|2,0,0]=4 12884 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 12885 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [1,1,0,0,0,0|2,0,0]=4 12886 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [1,1,0,0,0,0|2,0,0]=4 12887 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [1,1,0,0,0,0|2,0,0]=4 12888 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 12889 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [1,1,0,0,0,0|2,0,0]=4 12890 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [1,1,0,0,0,0|2,0,0]=4 12891 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [1,1,0,0,0,0|2,0,0]=4 12892 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 12893 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [1,1,0,0,0,0|2,0,0]=4 12894 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [1,1,0,0,0,0|2,0,0]=4 12895 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [1,1,0,0,0,0|2,0,0]=4 12896 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [1,1,0,0,0,0|2,0,0]=4 12897 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [1,1,0,0,0,0|2,0,0]=4 12898 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 12899 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 12900 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 12901 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 12902 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 12903 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 12904 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 12905 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 12906 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 12907 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 12908 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [1,1,0,0,0,0|2,0,0]=4 12909 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [1,1,0,0,0,0|2,0,0]=4 12910 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [1,1,0,0,0,0|2,0,0]=4 12911 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [1,1,0,0,0,0|2,0,0]=4 12912 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 12913 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [1,1,0,0,0,0|2,0,0]=4 12914 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|1,0,0]=3 12915 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|1,0,0]=3 12916 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|1,0,0]=3 12917 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|1,0,0]=3 12918 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 12919 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 12920 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [1,1,0,0,0,0|2,0,0]=4 12921 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [1,1,0,0,0,0|2,0,0]=4 12922 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [1,1,0,0,0,0|2,0,0]=4 12923 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [1,1,0,0,0,0|2,0,0]=4 12924 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [1,1,0,0,0,0|2,0,0]=4 12925 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [1,1,0,0,0,0|2,0,0]=4 12926 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [1,1,0,0,0,0|2,0,0]=4 12927 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [1,1,0,0,0,0|2,0,0]=4 12928 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [1,1,0,0,0,0|2,0,0]=4 12929 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [1,1,0,0,0,0|2,0,0]=4 12930 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [1,1,0,0,0,0|2,0,0]=4 12931 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [1,1,0,0,0,0|2,0,0]=4 12932 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [1,1,0,0,0,0|2,0,0]=4 12933 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [1,1,0,0,0,0|2,0,0]=4 12934 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [1,1,0,0,0,0|1,0,1]=4 12935 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,1,0,0,0,0|1,0,0]=3 12936 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,0]=3 12937 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 12938 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 12939 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [1,1,0,0,0,0|1,0,1]=4 12940 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [1,1,0,0,0,0|2,0,0]=4 12941 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [1,1,0,0,0,0|2,0,0]=4 12942 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [1,1,0,0,0,0|2,0,0]=4 12943 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [1,1,0,0,0,0|2,0,0]=4 12944 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [1,1,0,0,0,0|2,0,0]=4 12945 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [1,1,0,0,0,0|2,0,0]=4 12946 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [1,1,0,0,0,0|2,0,0]=4 12947 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [1,1,0,0,0,0|2,0,0]=4 12948 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [1,1,0,0,0,0|2,0,0]=4 12949 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [1,1,0,0,0,0|2,0,0]=4 12950 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [1,1,0,0,0,0|2,0,0]=4 12951 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [1,1,0,0,0,0|2,0,0]=4 12952 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [1,1,0,0,0,0|2,0,0]=4 12953 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [1,1,0,0,0,0|2,0,0]=4 12954 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [1,1,0,0,0,0|2,0,0]=4 12955 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|0,0,0]=2 12956 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [1,1,0,0,0,0|2,0,0]=4 12957 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [1,1,0,0,0,0|2,0,0]=4 12958 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [1,1,0,0,0,0|2,0,0]=4 12959 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 12960 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 12961 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 12962 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [1,1,0,0,0,0|1,0,0]=3 12963 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [1,1,0,0,0,0|1,0,0]=3 12964 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [1,1,0,0,0,0|2,0,0]=4 12965 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [1,1,0,0,0,0|2,0,0]=4 12966 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|2,0,0]=4 12967 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [1,1,0,0,0,0|2,0,0]=4 12968 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [1,1,0,0,0,0|2,0,0]=4 12969 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [1,1,0,0,0,0|1,0,0]=3 12970 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [1,1,0,0,0,0|1,0,0]=3 12971 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [1,1,0,0,0,0|2,0,0]=4 12972 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [1,1,0,0,0,0|2,0,0]=4 12973 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [1,1,0,0,0,0|2,0,0]=4 12974 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [1,1,0,0,0,0|2,0,0]=4 12975 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [1,1,0,0,0,0|2,0,0]=4 12976 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [1,1,0,0,0,0|2,0,0]=4 12977 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [1,1,0,0,0,0|2,0,0]=4 12978 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [1,1,0,0,0,0|2,0,0]=4 12979 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [1,1,0,0,0,0|1,0,0]=3 12980 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [1,1,0,0,0,0|1,0,0]=3 12981 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [1,1,0,0,0,0|2,0,0]=4 12982 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [1,1,0,0,0,0|2,0,0]=4 12983 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [1,1,0,0,0,0|2,0,0]=4 12984 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [1,1,0,0,0,0|2,0,0]=4 12985 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [1,1,0,0,0,0|2,0,0]=4 12986 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [1,1,0,0,0,0|2,0,0]=4 12987 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [1,1,0,0,0,0|2,0,0]=4 12988 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [1,1,0,0,0,0|2,0,0]=4 12989 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [1,1,0,0,0,0|1,0,1]=4 12990 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [1,1,0,0,0,0|1,0,0]=3 12991 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [1,1,0,0,0,0|1,0,0]=3 12992 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [1,1,0,0,0,0|2,0,0]=4 12993 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [1,1,0,0,0,0|1,0,1]=4 12994 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [1,1,0,0,0,0|1,0,1]=4 12995 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [1,1,0,0,0,0|2,0,0]=4 12996 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [1,1,0,0,0,0|2,0,0]=4 12997 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [1,1,0,0,0,0|2,0,0]=4 12998 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [1,1,0,0,0,0|2,0,0]=4 12999 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [1,1,0,0,0,0|2,0,0]=4 13000 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [1,1,0,0,0,0|2,0,0]=4 13001 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [1,1,0,0,0,0|2,0,0]=4 13002 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [1,1,0,0,0,0|2,0,0]=4 13003 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [1,1,0,0,0,0|2,0,0]=4 13004 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [1,1,0,0,0,0|2,0,0]=4 13005 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [1,1,0,0,0,0|2,0,0]=4 13006 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [1,1,0,0,0,0|2,0,0]=4 13007 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [1,1,0,0,0,0|2,0,0]=4 13008 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [1,1,0,0,0,0|2,0,0]=4 13009 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [1,1,0,0,0,0|2,0,0]=4 13010 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [1,1,0,0,0,0|2,0,0]=4 13011 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [1,1,0,0,0,0|2,0,0]=4 13012 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [1,1,0,0,0,0|2,0,0]=4 13013 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [1,1,0,0,0,0|2,0,0]=4 13014 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [1,1,0,0,0,0|2,0,0]=4 13015 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [1,1,0,0,0,0|2,0,0]=4 13016 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [1,1,0,0,0,0|2,0,0]=4 13017 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [1,1,0,0,0,0|2,0,0]=4 13018 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [1,1,0,0,0,0|2,0,0]=4 13019 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [1,1,0,0,0,0|2,0,0]=4 13020 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [1,1,0,0,0,0|2,0,0]=4 13021 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [1,1,0,0,0,0|1,0,1]=4 13022 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [1,1,0,0,0,0|1,0,1]=4 13023 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [1,1,0,0,0,0|2,0,0]=4 13024 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [1,1,0,0,0,0|2,0,0]=4 13025 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [1,1,0,0,0,0|2,0,0]=4 13026 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [1,1,0,0,0,0|2,0,0]=4 13027 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [1,1,0,0,0,0|2,0,0]=4 13028 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [1,1,0,0,0,0|2,0,0]=4 13029 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [1,1,0,0,0,0|2,0,0]=4 13030 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [1,1,0,0,0,0|2,0,0]=4 13031 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [1,1,0,0,0,0|2,0,0]=4 13032 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [1,1,0,0,0,0|2,0,0]=4 13033 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,1,0,0,0,0|1,0,1]=4 13034 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [1,1,0,0,0,0|1,0,1]=4 13035 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [1,1,0,0,0,0|1,0,1]=4 13036 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [1,1,0,0,0,0|1,0,1]=4 13037 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|0,0,0]=2 13038 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|0,0,0]=2 13039 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [1,1,0,0,0,0|2,0,0]=4 13040 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [1,1,0,0,0,0|2,0,0]=4 13041 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|2,0,0]=4 13042 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [1,1,0,0,0,0|1,0,0]=3 13043 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 13044 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 13045 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [1,1,0,0,0,0|2,0,0]=4 13046 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [1,1,0,0,0,0|2,0,0]=4 13047 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [1,1,0,0,0,0|2,0,0]=4 13048 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [1,1,0,0,0,0|2,0,0]=4 13049 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [1,1,0,0,0,0|2,0,0]=4 13050 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [1,1,0,0,0,0|1,0,0]=3 13051 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [1,1,0,0,0,0|1,0,0]=3 13052 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 13053 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [1,1,0,0,0,0|2,0,0]=4 13054 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 13055 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [1,1,0,0,0,0|1,0,0]=3 13056 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [1,1,0,0,0,0|2,0,0]=4 13057 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [1,1,0,0,0,0|2,0,0]=4 13058 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [1,1,0,0,0,0|2,0,0]=4 13059 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [1,1,0,0,0,0|2,0,0]=4 13060 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [1,1,0,0,0,0|2,0,0]=4 13061 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [1,1,0,0,0,0|2,0,0]=4 13062 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [1,1,0,0,0,0|2,0,0]=4 13063 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [1,1,0,0,0,0|2,0,0]=4 13064 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [1,1,0,0,0,0|2,0,0]=4 13065 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [1,1,0,0,0,0|0,0,2]=4 13066 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [1,1,0,0,0,0|2,0,0]=4 13067 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [1,1,0,0,0,0|2,0,0]=4 13068 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [1,1,0,0,0,0|2,0,0]=4 13069 B11R0.111 CC(=O)CCCCOC(C)CF 34a_100016041109_100009817362 [1,1,0,0,0,0|2,0,0]=4 13070 B11R0.111 CC(=O)CCCCOC(C)CF 7a_100016041109_100000735457 [1,1,0,0,0,0|2,0,0]=4 13071 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [1,1,0,0,0,0|2,0,0]=4 13072 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [1,1,0,0,0,0|2,0,0]=4 13073 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [1,1,0,0,0,0|2,0,0]=4 13074 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [1,1,0,0,0,0|2,0,0]=4 13075 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [1,1,0,0,0,0|2,0,0]=4 13076 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [1,1,0,0,0,0|2,0,0]=4 13077 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [1,1,0,0,0,0|2,0,0]=4 13078 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [1,1,0,0,0,0|2,0,0]=4 13079 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [1,1,0,0,0,0|2,0,0]=4 13080 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [1,1,0,0,0,0|2,0,0]=4 13081 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [1,1,0,0,0,0|2,0,0]=4 13082 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [1,1,0,0,0,0|2,0,0]=4 13083 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [1,1,0,0,0,0|2,0,0]=4 13084 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [1,1,0,0,0,0|2,0,0]=4 13085 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [1,1,0,0,0,0|2,0,0]=4 13086 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [1,1,0,0,0,0|2,0,0]=4 13087 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [1,1,0,0,0,0|2,0,0]=4 13088 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [1,1,0,0,0,0|2,0,0]=4 13089 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [1,1,0,0,0,0|2,0,0]=4 13090 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [1,1,0,0,0,0|2,0,0]=4 13091 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [1,1,0,0,0,0|2,0,0]=4 13092 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [1,1,0,0,0,0|2,0,0]=4 13093 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [1,1,0,0,0,0|2,0,0]=4 13094 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [1,1,0,0,0,0|2,0,0]=4 13095 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [1,1,0,0,0,0|2,0,0]=4 13096 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [1,1,0,0,0,0|1,0,1]=4 13097 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [1,1,0,0,0,0|1,0,1]=4 13098 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [1,1,0,0,0,0|1,0,1]=4 13099 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [1,1,0,0,0,0|1,0,1]=4 13100 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [1,1,0,0,0,0|1,0,1]=4 13101 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [1,1,0,0,0,0|1,0,1]=4 13102 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [1,1,0,0,0,0|1,0,1]=4 13103 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [1,1,0,0,0,0|2,0,0]=4 13104 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [1,1,0,0,0,0|2,0,0]=4 13105 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [1,1,0,0,0,0|1,0,0]=3 13106 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [1,1,0,0,0,0|2,0,0]=4 13107 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [1,1,0,0,0,0|2,0,0]=4 13108 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [1,1,0,0,0,0|2,0,0]=4 13109 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [1,1,0,0,0,0|2,0,0]=4 13110 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [1,1,0,0,0,0|2,0,0]=4 13111 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [1,1,0,0,0,0|2,0,0]=4 13112 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [1,1,0,0,0,0|1,0,0]=3 13113 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [1,1,0,0,0,0|1,0,0]=3 13114 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [1,1,0,0,0,0|2,0,0]=4 13115 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [1,1,0,0,0,0|1,0,0]=3 13116 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [1,1,0,0,0,0|1,0,0]=3 13117 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [1,1,0,0,0,0|2,0,0]=4 13118 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [1,1,0,0,0,0|2,0,0]=4 13119 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [1,1,0,0,0,0|2,0,0]=4 13120 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [1,1,0,0,0,0|2,0,0]=4 13121 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [1,1,0,0,0,0|2,0,0]=4 13122 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [1,1,0,0,0,0|2,0,0]=4 13123 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [1,1,0,0,0,0|2,0,0]=4 13124 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [1,1,0,0,0,0|2,0,0]=4 13125 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [1,1,0,0,0,0|2,0,0]=4 13126 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [1,1,0,0,0,0|1,0,0]=3 13127 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [1,1,0,0,0,0|2,0,0]=4 13128 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [1,1,0,0,0,0|2,0,0]=4 13129 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [1,1,0,0,0,0|2,0,0]=4 13130 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [1,1,0,0,0,0|2,0,0]=4 13131 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [1,1,0,0,0,0|2,0,0]=4 13132 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [1,1,0,0,0,0|1,0,0]=3 13133 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [1,1,0,0,0,0|1,0,0]=3 13134 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [1,1,0,0,0,0|2,0,0]=4 13135 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [1,1,0,0,0,0|2,0,0]=4 13136 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [1,1,0,0,0,0|2,0,0]=4 13137 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [1,1,0,0,0,0|2,0,0]=4 13138 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [1,1,0,0,0,0|2,0,0]=4 13139 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [1,1,0,0,0,0|2,0,0]=4 13140 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [1,1,0,0,0,0|2,0,0]=4 13141 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [1,1,0,0,0,0|2,0,0]=4 13142 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [1,1,0,0,0,0|1,0,0]=3 13143 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [1,1,0,0,0,0|1,0,0]=3 13144 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [1,1,0,0,0,0|2,0,0]=4 13145 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [1,1,0,0,0,0|1,0,0]=3 13146 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [1,1,0,0,0,0|1,0,0]=3 13147 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [1,1,0,0,0,0|2,0,0]=4 13148 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [1,1,0,0,0,0|2,0,0]=4 13149 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [1,1,0,0,0,0|2,0,0]=4 13150 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [1,1,0,0,0,0|2,0,0]=4 13151 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [1,1,0,0,0,0|2,0,0]=4 13152 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [1,1,0,0,0,0|2,0,0]=4 13153 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [1,1,0,0,0,0|2,0,0]=4 13154 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [1,1,0,0,0,0|2,0,0]=4 13155 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [1,1,0,0,0,0|2,0,0]=4 13156 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [1,1,0,0,0,0|2,0,0]=4 13157 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [1,1,0,0,0,0|2,0,0]=4 13158 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [1,1,0,0,0,0|2,0,0]=4 13159 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [1,1,0,0,0,0|2,0,0]=4 13160 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [1,1,0,0,0,0|2,0,0]=4 13161 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [1,1,0,0,0,0|1,0,0]=3 13162 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [1,1,0,0,0,0|1,0,0]=3 13163 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [1,1,0,0,0,0|1,0,0]=3 13164 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [1,1,0,0,0,0|2,0,0]=4 13165 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [1,1,0,0,0,0|2,0,0]=4 13166 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [1,1,0,0,0,0|2,0,0]=4 13167 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [1,1,0,0,0,0|2,0,0]=4 13168 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [1,1,0,0,0,0|1,0,0]=3 13169 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [1,1,0,0,0,0|1,0,0]=3 13170 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [1,1,0,0,0,0|2,0,0]=4 13171 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [1,1,0,0,0,0|2,0,0]=4 13172 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [1,1,0,0,0,0|2,0,0]=4 13173 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [1,1,0,0,0,0|2,0,0]=4 13174 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [1,1,0,0,0,0|2,0,0]=4 13175 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [1,1,0,0,0,0|2,0,0]=4 13176 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,1,0,0,0,0|1,0,1]=4 13177 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,1,0,0,0,0|1,0,1]=4 13178 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,1,0,0,0,0|1,0,1]=4 13179 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [1,1,0,0,0,0|2,0,0]=4 13180 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [1,1,0,0,0,0|2,0,0]=4 13181 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [1,1,0,0,0,0|2,0,0]=4 13182 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [1,1,0,0,0,0|2,0,0]=4 13183 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [1,1,0,0,0,0|2,0,0]=4 13184 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [1,1,0,0,0,0|2,0,0]=4 13185 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [1,1,0,0,0,0|2,0,0]=4 13186 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [1,1,0,0,0,0|2,0,0]=4 13187 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [1,1,0,0,0,0|2,0,0]=4 13188 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [1,1,0,0,0,0|2,0,0]=4 13189 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [1,1,0,0,0,0|2,0,0]=4 13190 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [1,1,0,0,0,0|2,0,0]=4 13191 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [1,1,0,0,0,0|2,0,0]=4 13192 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [1,1,0,0,0,0|2,0,0]=4 13193 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [1,1,0,0,0,0|2,0,0]=4 13194 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [1,1,0,0,0,0|0,0,1]=3 13195 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [1,1,0,0,0,0|1,0,1]=4 13196 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [1,1,0,0,0,0|1,0,1]=4 13197 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [1,1,0,0,0,0|1,0,1]=4 13198 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [1,1,0,0,0,0|1,0,1]=4 13199 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [1,1,0,0,0,0|1,0,1]=4 13200 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [1,1,0,0,0,0|2,0,0]=4 13201 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [1,1,0,0,0,0|2,0,0]=4 13202 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [1,1,0,0,0,0|2,0,0]=4 13203 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [1,1,0,0,0,0|2,0,0]=4 13204 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [1,1,0,0,0,0|1,0,0]=3 13205 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [1,1,0,0,0,0|1,0,0]=3 13206 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [1,1,0,0,0,0|1,0,0]=3 13207 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [1,1,0,0,0,0|2,0,0]=4 13208 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 13209 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [1,1,0,0,0,0|2,0,0]=4 13210 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 13211 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [1,1,0,0,0,0|2,0,0]=4 13212 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [1,1,0,0,0,0|1,0,0]=3 13213 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [1,1,0,0,0,0|1,0,0]=3 13214 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [1,1,0,0,0,0|2,0,0]=4 13215 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [1,1,0,0,0,0|2,0,0]=4 13216 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [1,1,0,0,0,0|2,0,0]=4 13217 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [1,1,0,0,0,0|2,0,0]=4 13218 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [1,1,0,0,0,0|1,0,0]=3 13219 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [1,1,0,0,0,0|2,0,0]=4 13220 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,1,0,0,0,0|2,0,0]=4 13221 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [1,1,0,0,0,0|2,0,0]=4 13222 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [1,1,0,0,0,0|2,0,0]=4 13223 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [1,1,0,0,0,0|2,0,0]=4 13224 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [1,1,0,0,0,0|2,0,0]=4 13225 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [1,1,0,0,0,0|2,0,0]=4 13226 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [1,1,0,0,0,0|2,0,0]=4 13227 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [1,1,0,0,0,0|2,0,0]=4 13228 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [1,1,0,0,0,0|2,0,0]=4 13229 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [1,1,0,0,0,0|1,0,1]=4 13230 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [1,1,0,0,0,0|1,0,1]=4 13231 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [1,1,0,0,0,0|1,0,1]=4 13232 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [1,1,0,0,0,0|2,0,0]=4 13233 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [1,1,0,0,0,0|1,0,1]=4 13234 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [1,1,0,0,0,0|2,0,0]=4 13235 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [1,1,0,0,0,0|1,0,1]=4 13236 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [1,1,0,0,0,0|1,0,1]=4 13237 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [1,1,0,0,0,0|2,0,0]=4 13238 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [1,1,0,0,0,0|1,0,1]=4 13239 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [1,1,0,0,0,0|2,0,0]=4 13240 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [1,1,0,0,0,0|2,0,0]=4 13241 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [1,1,0,0,0,0|2,0,0]=4 13242 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [1,1,0,0,0,0|2,0,0]=4 13243 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [1,1,0,0,0,0|2,0,0]=4 13244 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [1,1,0,0,0,0|2,0,0]=4 13245 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [1,1,0,0,0,0|2,0,0]=4 13246 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [1,1,0,0,0,0|2,0,0]=4 13247 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [1,1,0,0,0,0|2,0,0]=4 13248 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [1,1,0,0,0,0|2,0,0]=4 13249 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [1,1,0,0,0,0|2,0,0]=4 13250 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [1,1,0,0,0,0|2,0,0]=4 13251 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [1,1,0,0,0,0|2,0,0]=4 13252 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [1,1,0,0,0,0|2,0,0]=4 13253 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [1,1,0,0,0,0|2,0,0]=4 13254 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [1,1,0,0,0,0|2,0,0]=4 13255 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [1,1,0,0,0,0|2,0,0]=4 13256 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [1,1,0,0,0,0|2,0,0]=4 13257 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [1,1,0,0,0,0|2,0,0]=4 13258 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [1,1,0,0,0,0|2,0,0]=4 13259 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [1,1,0,0,0,0|2,0,0]=4 13260 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [1,1,0,0,0,0|2,0,0]=4 13261 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [1,1,0,0,0,0|2,0,0]=4 13262 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [1,1,0,0,0,0|2,0,0]=4 13263 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [1,1,0,0,0,0|2,0,0]=4 13264 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [1,1,0,0,0,0|2,0,0]=4 13265 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [1,1,0,0,0,0|2,0,0]=4 13266 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [1,1,0,0,0,0|2,0,0]=4 13267 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [1,1,0,0,0,0|2,0,0]=4 13268 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [1,1,0,0,0,0|2,0,0]=4 13269 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [1,1,0,0,0,0|1,0,1]=4 13270 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [1,1,0,0,0,0|2,0,0]=4 13271 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [1,1,0,0,0,0|2,0,0]=4 13272 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [1,1,0,0,0,0|2,0,0]=4 13273 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [1,1,0,0,0,0|2,0,0]=4 13274 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [1,1,0,0,0,0|2,0,0]=4 13275 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [1,1,0,0,0,0|2,0,0]=4 13276 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [1,1,0,0,0,0|2,0,0]=4 13277 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [1,1,0,0,0,0|0,0,1]=3 13278 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [1,1,0,0,0,0|1,0,1]=4 13279 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [1,1,0,0,0,0|1,0,1]=4 13280 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [1,1,0,0,0,0|1,0,1]=4 13281 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [1,1,0,0,0,0|1,0,1]=4 13282 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [1,1,0,0,0,0|1,0,1]=4 13283 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [1,1,0,0,0,0|1,0,1]=4 13284 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [1,1,0,0,0,0|2,0,0]=4 13285 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [1,1,0,0,0,0|2,0,0]=4 13286 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [1,1,0,0,0,0|2,0,0]=4 13287 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [1,1,0,0,0,0|1,0,0]=3 13288 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [1,1,0,0,0,0|1,0,0]=3 13289 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [1,1,0,0,0,0|1,0,0]=3 13290 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [1,1,0,0,0,0|2,0,0]=4 13291 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 13292 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [1,1,0,0,0,0|2,0,0]=4 13293 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 13294 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [1,1,0,0,0,0|2,0,0]=4 13295 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [1,1,0,0,0,0|1,0,0]=3 13296 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [1,1,0,0,0,0|1,0,0]=3 13297 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [1,1,0,0,0,0|2,0,0]=4 13298 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [1,1,0,0,0,0|2,0,0]=4 13299 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [1,1,0,0,0,0|2,0,0]=4 13300 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [1,1,0,0,0,0|2,0,0]=4 13301 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [1,1,0,0,0,0|2,0,0]=4 13302 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [1,1,0,0,0,0|2,0,0]=4 13303 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [1,1,0,0,0,0|2,0,0]=4 13304 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [1,1,0,0,0,0|2,0,0]=4 13305 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [1,1,0,0,0,0|2,0,0]=4 13306 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [1,1,0,0,0,0|1,0,0]=3 13307 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [1,1,0,0,0,0|1,0,0]=3 13308 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [1,1,0,0,0,0|1,0,0]=3 13309 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [1,1,0,0,0,0|1,0,0]=3 13310 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [1,1,0,0,0,0|2,0,0]=4 13311 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [1,1,0,0,0,0|2,0,0]=4 13312 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [1,1,0,0,0,0|2,0,0]=4 13313 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [1,1,0,0,0,0|2,0,0]=4 13314 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [1,1,0,0,0,0|2,0,0]=4 13315 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [1,1,0,0,0,0|2,0,0]=4 13316 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [1,1,0,0,0,0|1,0,0]=3 13317 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [1,1,0,0,0,0|1,0,0]=3 13318 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [1,1,0,0,0,0|2,0,0]=4 13319 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [1,1,0,0,0,0|2,0,0]=4 13320 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [1,1,0,0,0,0|2,0,0]=4 13321 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [1,1,0,0,0,0|2,0,0]=4 13322 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [1,1,0,0,0,0|2,0,0]=4 13323 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [1,1,0,0,0,0|2,0,0]=4 13324 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [1,1,0,0,0,0|1,0,0]=3 13325 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [1,1,0,0,0,0|2,0,0]=4 13326 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [1,1,0,0,0,0|2,0,0]=4 13327 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [1,1,0,0,0,0|2,0,0]=4 13328 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [1,1,0,0,0,0|2,0,0]=4 13329 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [1,1,0,0,0,0|2,0,0]=4 13330 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [1,1,0,0,0,0|2,0,0]=4 13331 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [1,1,0,0,0,0|2,0,0]=4 13332 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [1,1,0,0,0,0|1,0,1]=4 13333 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [1,1,0,0,0,0|1,0,1]=4 13334 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [1,1,0,0,0,0|1,0,1]=4 13335 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [1,1,0,0,0,0|1,0,1]=4 13336 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [1,1,0,0,0,0|2,0,0]=4 13337 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [1,1,0,0,0,0|2,0,0]=4 13338 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [1,1,0,0,0,0|2,0,0]=4 13339 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [1,1,0,0,0,0|2,0,0]=4 13340 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [1,1,0,0,0,0|2,0,0]=4 13341 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [1,1,0,0,0,0|2,0,0]=4 13342 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [1,1,0,0,0,0|2,0,0]=4 13343 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [1,1,0,0,0,0|2,0,0]=4 13344 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [1,1,0,0,0,0|2,0,0]=4 13345 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [1,1,0,0,0,0|1,0,1]=4 13346 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [1,1,0,0,0,0|0,0,2]=4 13347 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [1,1,0,0,0,0|0,0,2]=4 13348 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [1,1,0,0,0,0|0,0,2]=4 13349 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [1,1,0,0,0,0|0,0,2]=4 13350 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [1,1,0,0,0,0|0,0,2]=4 13351 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [1,1,0,0,0,0|0,0,2]=4 13352 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [1,1,0,0,0,0|0,0,2]=4 13353 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [1,1,0,0,0,0|0,0,2]=4 13354 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [1,1,0,0,0,0|0,0,2]=4 13355 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [1,1,0,0,0,0|0,0,2]=4 13356 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [1,1,0,0,0,0|0,0,2]=4 13357 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [1,1,0,0,0,0|0,0,2]=4 13358 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [1,1,0,0,0,0|0,0,2]=4 13359 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [1,1,0,0,0,0|0,0,2]=4 13360 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [1,1,0,0,0,0|0,0,2]=4 13361 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [1,1,0,0,0,0|0,0,2]=4 13362 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [1,1,0,0,0,0|0,0,2]=4 13363 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [1,1,0,0,0,0|0,0,2]=4 13364 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [1,1,0,0,0,0|0,0,2]=4 13365 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [1,1,0,0,0,0|0,0,2]=4 13366 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [1,1,0,0,0,0|0,0,2]=4 13367 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [1,1,0,0,0,0|0,0,2]=4 13368 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [1,1,0,0,0,0|0,0,2]=4 13369 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [1,1,0,0,0,0|0,0,2]=4 13370 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [1,1,0,0,0,0|0,0,2]=4 13371 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [1,1,0,0,0,0|0,0,2]=4 13372 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [1,1,0,0,0,0|0,0,2]=4 13373 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [1,1,0,0,0,0|0,0,2]=4 13374 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [1,1,0,0,0,0|0,0,2]=4 13375 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [1,1,0,0,0,0|0,0,2]=4 13376 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [1,1,0,0,0,0|0,0,2]=4 13377 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [1,1,0,0,0,0|0,0,2]=4 13378 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [1,1,0,0,0,0|0,0,2]=4 13379 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [1,1,0,0,0,0|0,0,2]=4 13380 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [1,1,0,0,0,0|0,0,2]=4 13381 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [1,1,0,0,0,0|0,0,2]=4 13382 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [1,1,0,0,0,0|0,0,2]=4 13383 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [1,1,0,0,0,0|0,0,2]=4 13384 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [1,1,0,0,0,0|0,0,2]=4 13385 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [1,1,0,0,0,0|0,0,2]=4 13386 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [1,1,0,0,0,0|0,0,2]=4 13387 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [1,1,0,0,0,0|0,0,2]=4 13388 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [1,1,0,0,0,0|0,0,2]=4 13389 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [1,1,0,0,0,0|0,0,2]=4 13390 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [1,1,0,0,0,0|0,0,2]=4 13391 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [1,1,0,0,0,0|0,0,2]=4 13392 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [1,1,0,0,0,0|0,0,2]=4 13393 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [1,1,0,0,0,0|0,0,2]=4 13394 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [1,1,0,0,0,0|0,0,2]=4 13395 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [1,1,0,0,0,0|0,0,2]=4 13396 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [1,1,0,0,0,0|0,0,2]=4 13397 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [1,1,0,0,0,0|0,0,2]=4 13398 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [1,1,0,0,0,0|0,0,2]=4 13399 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [1,1,0,0,0,0|0,0,2]=4 13400 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [1,1,0,0,0,0|0,0,2]=4 13401 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [1,1,0,0,0,0|0,0,2]=4 13402 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [1,1,0,0,0,0|0,0,2]=4 13403 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [1,1,0,0,0,0|0,0,2]=4 13404 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [1,1,0,0,0,0|0,0,2]=4 13405 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [1,1,0,0,0,0|0,0,2]=4 13406 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [1,1,0,0,0,0|0,0,2]=4 13407 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [1,1,0,0,0,0|0,0,2]=4 13408 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [1,1,0,0,0,0|0,0,2]=4 13409 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [1,1,0,0,0,0|0,0,2]=4 13410 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [1,1,0,0,0,0|0,0,2]=4 13411 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [1,1,0,0,0,0|0,0,2]=4 13412 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [1,1,0,0,0,0|0,0,2]=4 13413 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,1,0,0,0,0|0,0,1]=3 13414 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [1,1,0,0,0,0|1,0,1]=4 13415 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [1,1,0,0,0,0|1,0,1]=4 13416 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [1,1,0,0,0,0|1,0,1]=4 13417 B11R0.3 C/C=C/CCOCCCOCC 34a_100016278192_100012232248 [1,1,0,0,0,0|1,0,1]=4 13418 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [1,1,0,0,0,0|1,0,1]=4 13419 B11R0.3 C/C=C/CCOCOCCCC 34a_100016278192_100011995733 [1,1,0,0,0,0|1,0,1]=4 13420 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [1,1,0,0,0,0|1,0,1]=4 13421 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [1,1,0,0,0,0|1,0,1]=4 13422 B11R0.3 C/C=C/CNCCCOCCC 34a_100011217757_100102629194 [1,1,0,0,0,0|1,0,1]=4 13423 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [1,1,0,0,0,0|1,0,1]=4 13424 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [1,1,0,0,0,0|1,0,1]=4 13425 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,1,0,0,0,0|0,0,1]=3 13426 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,1,0,0,0,0|0,0,1]=3 13427 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,1,0,0,0,0|0,0,1]=3 13428 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [1,1,0,0,0,0|1,0,1]=4 13429 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [1,1,0,0,0,0|1,0,1]=4 13430 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [1,1,0,0,0,0|1,0,1]=4 13431 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [1,1,0,0,0,0|1,0,1]=4 13432 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [1,1,0,0,0,0|1,0,1]=4 13433 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [1,1,0,0,0,0|1,0,1]=4 13434 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [1,1,0,0,0,0|1,0,1]=4 13435 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [1,1,0,0,0,0|1,0,1]=4 13436 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [1,1,0,0,0,0|1,0,1]=4 13437 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [1,1,0,0,0,0|1,0,1]=4 13438 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [1,1,0,0,0,0|1,0,1]=4 13439 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [1,1,0,0,0,0|1,0,1]=4 13440 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [1,1,0,0,0,0|1,0,1]=4 13441 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [1,1,0,0,0,0|0,0,2]=4 13442 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [1,1,0,0,0,0|0,0,2]=4 13443 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,1,0,0,0,0|0,0,1]=3 13444 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,1,0,0,0,0|0,0,1]=3 13445 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [1,1,0,0,0,0|1,0,1]=4 13446 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [1,1,0,0,0,0|1,0,1]=4 13447 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [1,1,0,0,0,0|1,0,1]=4 13448 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [1,1,0,0,0,0|1,0,1]=4 13449 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [1,1,0,0,0,0|1,0,1]=4 13450 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [1,1,0,0,0,0|1,0,1]=4 13451 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,1,0,0,0,0|0,0,1]=3 13452 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,1,0,0,0,0|0,0,1]=3 13453 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,1,0,0,0,0|0,0,1]=3 13454 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,1,0,0,0,0|0,0,1]=3 13455 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,1,0,0,0,0|0,0,1]=3 13456 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,1,0,0,0,0|0,0,1]=3 13457 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,1,0,0,0,0|0,0,1]=3 13458 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,1,0,0,0,0|0,0,1]=3 13459 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,1,0,0,0,0|0,0,1]=3 13460 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,1,0,0,0,0|0,0,1]=3 13461 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,1,0,0,0,0|0,0,1]=3 13462 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,1,0,0,0,0|0,0,1]=3 13463 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,1,0,0,0,0|0,0,1]=3 13464 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,1,0,0,0,0|0,0,1]=3 13465 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,1,0,0,0,0|0,0,1]=3 13466 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,1,0,0,0,0|0,0,1]=3 13467 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [1,1,0,0,0,0|1,0,1]=4 13468 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [1,1,0,0,0,0|1,0,1]=4 13469 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,1,0,0,0,0|0,0,1]=3 13470 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,1,0,0,0,0|0,0,1]=3 13471 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [1,1,0,0,0,0|1,0,1]=4 13472 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [1,1,0,0,0,0|1,0,1]=4 13473 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [1,1,0,0,0,0|1,0,1]=4 13474 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [1,1,0,0,0,0|1,0,1]=4 13475 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [1,1,0,0,0,0|1,0,1]=4 13476 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [1,1,0,0,0,0|0,0,2]=4 13477 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [1,1,0,0,0,0|0,0,2]=4 13478 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [1,1,0,0,0,0|1,0,1]=4 13479 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,1,0,0,0,0|0,0,1]=3 13480 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,1,0,0,0,0|0,0,1]=3 13481 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,1,0,0,0,0|0,0,1]=3 13482 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [1,1,0,0,0,0|1,0,1]=4 13483 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [1,1,0,0,0,0|1,0,1]=4 13484 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [1,1,0,0,0,0|1,0,1]=4 13485 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [1,1,0,0,0,0|1,0,1]=4 13486 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [1,1,0,0,0,0|1,0,1]=4 13487 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [1,1,0,0,0,0|1,0,1]=4 13488 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [1,1,0,0,0,0|0,0,2]=4 13489 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [1,1,0,0,0,0|0,0,2]=4 13490 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,1,0,0,0,0|0,0,1]=3 13491 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,1,0,0,0,0|0,0,1]=3 13492 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [1,1,0,0,0,0|1,0,1]=4 13493 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [1,1,0,0,0,0|1,0,1]=4 13494 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [1,1,0,0,0,0|1,0,1]=4 13495 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [1,1,0,0,0,0|1,0,1]=4 13496 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [1,1,0,0,0,0|1,0,1]=4 13497 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [1,1,0,0,0,0|1,0,1]=4 13498 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [1,1,0,0,0,0|1,0,1]=4 13499 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [1,1,0,0,0,0|1,0,1]=4 13500 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,1,0,0,0,0|0,0,1]=3 13501 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,1,0,0,0,0|0,0,1]=3 13502 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [1,1,0,0,0,0|1,0,1]=4 13503 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [1,1,0,0,0,0|1,0,1]=4 13504 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [1,1,0,0,0,0|1,0,1]=4 13505 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [1,1,0,0,0,0|1,0,1]=4 13506 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [1,1,0,0,0,0|1,0,1]=4 13507 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,1,0,0,0,0|0,0,1]=3 13508 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,1,0,0,0,0|0,0,1]=3 13509 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,1,0,0,0,0|0,0,1]=3 13510 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,1,0,0,0,0|0,0,1]=3 13511 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [1,1,0,0,0,0|1,0,1]=4 13512 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [1,1,0,0,0,0|1,0,1]=4 13513 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [1,1,0,0,0,0|1,0,1]=4 13514 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [1,1,0,0,0,0|1,0,1]=4 13515 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [1,1,0,0,0,0|1,0,1]=4 13516 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [1,1,0,0,0,0|1,0,1]=4 13517 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [1,1,0,0,0,0|1,0,1]=4 13518 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [1,1,0,0,0,0|1,0,1]=4 13519 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [1,1,0,0,0,0|1,0,1]=4 13520 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [1,1,0,0,0,0|1,0,1]=4 13521 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [1,1,0,0,0,0|1,0,1]=4 13522 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [1,1,0,0,0,0|1,0,1]=4 13523 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [1,1,0,0,0,0|1,0,1]=4 13524 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [1,1,0,0,0,0|1,0,1]=4 13525 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,1,0,0,0,0|0,0,1]=3 13526 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,1,0,0,0,0|0,0,1]=3 13527 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [1,1,0,0,0,0|1,0,1]=4 13528 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [1,1,0,0,0,0|1,0,1]=4 13529 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [1,1,0,0,0,0|1,0,1]=4 13530 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [1,1,0,0,0,0|1,0,1]=4 13531 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [1,1,0,0,0,0|1,0,1]=4 13532 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [1,1,0,0,0,0|1,0,1]=4 13533 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [1,1,0,0,0,0|1,0,1]=4 13534 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [1,1,0,0,0,0|1,0,1]=4 13535 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [1,1,0,0,0,0|1,0,1]=4 13536 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [1,1,0,0,0,0|1,0,1]=4 13537 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [1,1,0,0,0,0|0,0,2]=4 13538 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,1,0,0,0,0|0,0,1]=3 13539 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,1,0,0,0,0|0,0,1]=3 13540 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,1,0,0,0,0|0,0,1]=3 13541 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [1,1,0,0,0,0|1,0,1]=4 13542 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [1,1,0,0,0,0|1,0,1]=4 13543 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [1,1,0,0,0,0|1,0,1]=4 13544 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [1,1,0,0,0,0|1,0,1]=4 13545 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [1,1,0,0,0,0|1,0,1]=4 13546 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [1,1,0,0,0,0|1,0,1]=4 13547 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [1,1,0,0,0,0|1,0,1]=4 13548 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [1,1,0,0,0,0|1,0,1]=4 13549 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [1,1,0,0,0,0|1,0,1]=4 13550 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [1,1,0,0,0,0|1,0,1]=4 13551 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [1,1,0,0,0,0|1,0,1]=4 13552 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [1,1,0,0,0,0|1,0,1]=4 13553 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [1,1,0,0,0,0|1,0,1]=4 13554 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [1,1,0,0,0,0|1,0,1]=4 13555 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [1,1,0,0,0,0|1,0,1]=4 13556 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [1,1,0,0,0,0|1,0,1]=4 13557 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [1,1,0,0,0,0|1,0,1]=4 13558 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [1,1,0,0,0,0|0,0,2]=4 13559 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [1,1,0,0,0,0|1,0,1]=4 13560 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,1,0,0,0,0|0,0,1]=3 13561 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,1,0,0,0,0|0,0,1]=3 13562 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,1,0,0,0,0|0,0,1]=3 13563 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,1,0,0,0,0|0,0,1]=3 13564 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [1,1,0,0,0,0|1,0,1]=4 13565 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [1,1,0,0,0,0|1,0,1]=4 13566 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [1,1,0,0,0,0|1,0,1]=4 13567 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [1,1,0,0,0,0|1,0,1]=4 13568 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [1,1,0,0,0,0|1,0,1]=4 13569 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [1,1,0,0,0,0|1,0,1]=4 13570 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [1,1,0,0,0,0|1,0,1]=4 13571 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [1,1,0,0,0,0|1,0,1]=4 13572 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [1,1,0,0,0,0|1,0,1]=4 13573 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [1,1,0,0,0,0|1,0,1]=4 13574 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [1,1,0,0,0,0|1,0,1]=4 13575 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [1,1,0,0,0,0|1,0,1]=4 13576 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [1,1,0,0,0,0|1,0,1]=4 13577 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [1,1,0,0,0,0|1,0,1]=4 13578 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [1,1,0,0,0,0|1,0,1]=4 13579 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [1,1,0,0,0,0|1,0,1]=4 13580 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [1,1,0,0,0,0|1,0,1]=4 13581 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [1,1,0,0,0,0|1,0,1]=4 13582 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [1,1,0,0,0,0|1,0,1]=4 13583 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [1,1,0,0,0,0|1,0,1]=4 13584 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [1,1,0,0,0,0|1,0,1]=4 13585 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [1,1,0,0,0,0|1,0,1]=4 13586 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [1,1,0,0,0,0|1,0,1]=4 13587 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [1,1,0,0,0,0|1,0,1]=4 13588 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [1,1,0,0,0,0|0,0,2]=4 13589 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [1,1,0,0,0,0|0,0,2]=4 13590 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,1,0,0,0,0|0,0,1]=3 13591 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,1,0,0,0,0|0,0,1]=3 13592 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [1,1,0,0,0,0|1,0,1]=4 13593 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [1,1,0,0,0,0|1,0,1]=4 13594 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [1,1,0,0,0,0|1,0,1]=4 13595 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [1,1,0,0,0,0|1,0,1]=4 13596 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [1,1,0,0,0,0|1,0,1]=4 13597 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [1,1,0,0,0,0|1,0,1]=4 13598 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [1,1,0,0,0,0|1,0,1]=4 13599 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [1,1,0,0,0,0|1,0,1]=4 13600 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [1,1,0,0,0,0|1,0,1]=4 13601 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [1,1,0,0,0,0|1,0,1]=4 13602 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [1,1,0,0,0,0|0,0,2]=4 13603 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,1,0,0,0,0|0,0,1]=3 13604 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,1,0,0,0,0|0,0,1]=3 13605 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,1,0,0,0,0|0,0,1]=3 13606 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [1,1,0,0,0,0|1,0,1]=4 13607 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [1,1,0,0,0,0|1,0,1]=4 13608 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [1,1,0,0,0,0|1,0,1]=4 13609 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [1,1,0,0,0,0|1,0,1]=4 13610 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [1,1,0,0,0,0|1,0,1]=4 13611 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [1,1,0,0,0,0|1,0,1]=4 13612 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [1,1,0,0,0,0|1,0,1]=4 13613 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [1,1,0,0,0,0|1,0,1]=4 13614 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [1,1,0,0,0,0|1,0,1]=4 13615 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [1,1,0,0,0,0|1,0,1]=4 13616 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [1,1,0,0,0,0|1,0,1]=4 13617 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [1,1,0,0,0,0|1,0,1]=4 13618 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [1,1,0,0,0,0|1,0,1]=4 13619 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [1,1,0,0,0,0|1,0,1]=4 13620 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [1,1,0,0,0,0|1,0,1]=4 13621 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [1,1,0,0,0,0|1,0,1]=4 13622 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [1,1,0,0,0,0|1,0,1]=4 13623 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [1,1,0,0,0,0|1,0,1]=4 13624 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [1,1,0,0,0,0|1,0,1]=4 13625 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [1,1,0,0,0,0|0,0,2]=4 13626 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [1,1,0,0,0,0|1,0,1]=4 13627 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [1,1,0,0,0,0|1,0,1]=4 13628 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,1,0,0,0,0|0,0,1]=3 13629 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,1,0,0,0,0|0,0,1]=3 13630 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,1,0,0,0,0|0,0,1]=3 13631 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,1,0,0,0,0|0,0,1]=3 13632 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [1,1,0,0,0,0|1,0,1]=4 13633 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [1,1,0,0,0,0|1,0,1]=4 13634 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [1,1,0,0,0,0|1,0,1]=4 13635 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [1,1,0,0,0,0|1,0,1]=4 13636 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [1,1,0,0,0,0|1,0,1]=4 13637 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [1,1,0,0,0,0|1,0,1]=4 13638 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [1,1,0,0,0,0|1,0,1]=4 13639 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [1,1,0,0,0,0|1,0,1]=4 13640 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [1,1,0,0,0,0|1,0,1]=4 13641 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [1,1,0,0,0,0|1,0,1]=4 13642 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [1,1,0,0,0,0|1,0,1]=4 13643 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [1,1,0,0,0,0|1,0,1]=4 13644 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [1,1,0,0,0,0|1,0,1]=4 13645 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [1,1,0,0,0,0|1,0,1]=4 13646 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [1,1,0,0,0,0|1,0,1]=4 13647 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [1,1,0,0,0,0|1,0,1]=4 13648 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [1,1,0,0,0,0|1,0,1]=4 13649 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [1,1,0,0,0,0|1,0,1]=4 13650 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [1,1,0,0,0,0|1,0,1]=4 13651 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [1,1,0,0,0,0|1,0,1]=4 13652 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [1,1,0,0,0,0|1,0,1]=4 13653 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [1,1,0,0,0,0|1,0,1]=4 13654 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [1,1,0,0,0,0|1,0,1]=4 13655 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [1,1,0,0,0,0|1,0,1]=4 13656 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [1,1,0,0,0,0|1,0,1]=4 13657 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [1,1,0,0,0,0|1,0,1]=4 13658 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [1,1,0,0,0,0|1,0,1]=4 13659 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [1,1,0,0,0,0|0,0,2]=4 13660 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [1,1,0,0,0,0|0,0,2]=4 13661 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,1,0,0,0,0|0,0,1]=3 13662 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,1,0,0,0,0|0,0,1]=3 13663 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [1,1,0,0,0,0|1,0,1]=4 13664 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [1,1,0,0,0,0|1,0,1]=4 13665 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [1,1,0,0,0,0|1,0,1]=4 13666 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [1,1,0,0,0,0|1,0,1]=4 13667 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [1,1,0,0,0,0|1,0,1]=4 13668 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [1,1,0,0,0,0|1,0,1]=4 13669 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [1,1,0,0,0,0|1,0,1]=4 13670 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [1,1,0,0,0,0|1,0,1]=4 13671 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [1,1,0,0,0,0|1,0,1]=4 13672 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [1,1,0,0,0,0|1,0,1]=4 13673 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [1,1,0,0,0,0|1,0,1]=4 13674 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [1,1,0,0,0,0|1,0,1]=4 13675 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [1,1,0,0,0,0|0,0,2]=4 13676 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,1,0,0,0,0|0,0,1]=3 13677 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,1,0,0,0,0|0,0,1]=3 13678 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [1,1,0,0,0,0|1,0,1]=4 13679 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [1,1,0,0,0,0|1,0,1]=4 13680 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [1,1,0,0,0,0|1,0,1]=4 13681 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [1,1,0,0,0,0|1,0,1]=4 13682 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [1,1,0,0,0,0|1,0,1]=4 13683 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [1,1,0,0,0,0|1,0,1]=4 13684 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [1,1,0,0,0,0|1,0,1]=4 13685 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [1,1,0,0,0,0|1,0,1]=4 13686 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [1,1,0,0,0,0|1,0,1]=4 13687 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [1,1,0,0,0,0|1,0,1]=4 13688 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [1,1,0,0,0,0|1,0,1]=4 13689 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [1,1,0,0,0,0|1,0,1]=4 13690 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,1,0,0,0,0|0,0,1]=3 13691 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,1,0,0,0,0|0,0,1]=3 13692 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,1,0,0,0,0|0,0,1]=3 13693 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [1,1,0,0,0,0|1,0,1]=4 13694 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [1,1,0,0,0,0|1,0,1]=4 13695 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [1,1,0,0,0,0|1,0,1]=4 13696 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [1,1,0,0,0,0|1,0,1]=4 13697 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [1,1,0,0,0,0|1,0,1]=4 13698 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [1,1,0,0,0,0|1,0,1]=4 13699 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [1,1,0,0,0,0|1,0,1]=4 13700 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [1,1,0,0,0,0|1,0,1]=4 13701 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [1,1,0,0,0,0|1,0,1]=4 13702 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [1,1,0,0,0,0|1,0,1]=4 13703 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [1,1,0,0,0,0|1,0,1]=4 13704 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [1,1,0,0,0,0|1,0,1]=4 13705 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [1,1,0,0,0,0|1,0,1]=4 13706 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [1,1,0,0,0,0|0,0,2]=4 13707 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [1,1,0,0,0,0|0,0,2]=4 13708 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,1,0,0,0,0|0,0,1]=3 13709 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,1,0,0,0,0|0,0,1]=3 13710 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [1,1,0,0,0,0|1,0,1]=4 13711 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [1,1,0,0,0,0|1,0,1]=4 13712 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [1,1,0,0,0,0|1,0,1]=4 13713 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [1,1,0,0,0,0|1,0,1]=4 13714 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [1,1,0,0,0,0|1,0,1]=4 13715 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [1,1,0,0,0,0|1,0,1]=4 13716 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,1,0,0,0,0|0,0,1]=3 13717 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,1,0,0,0,0|0,0,1]=3 13718 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,1,0,0,0,0|0,0,1]=3 13719 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [1,1,0,0,0,0|1,0,1]=4 13720 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [1,1,0,0,0,0|1,0,1]=4 13721 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [1,1,0,0,0,0|1,0,1]=4 13722 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [1,1,0,0,0,0|1,0,1]=4 13723 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [1,1,0,0,0,0|1,0,1]=4 13724 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [1,1,0,0,0,0|1,0,1]=4 13725 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,1,0,0,0,0|1,0,1]=4 13726 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,1,0,0,0,0|1,0,1]=4 13727 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,1,0,0,0,0|0,0,1]=3 13728 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,1,0,0,0,0|0,0,1]=3 13729 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,1,0,0,0,0|0,0,1]=3 13730 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,1,0,0,0,0|1,0,1]=4 13731 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,1,0,0,0,0|1,0,1]=4 13732 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,1,0,0,0,0|1,0,1]=4 13733 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,1,0,0,0,0|1,0,1]=4 13734 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,1,0,0,0,0|1,0,1]=4 13735 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [1,1,0,0,0,0|1,0,1]=4 13736 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [1,1,0,0,0,0|1,0,1]=4 13737 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [1,1,0,0,0,0|1,0,1]=4 13738 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [1,1,0,0,0,0|1,0,1]=4 13739 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [1,1,0,0,0,0|1,0,1]=4 13740 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [1,1,0,0,0,0|1,0,1]=4 13741 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [1,1,0,0,0,0|1,0,1]=4 13742 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,1,0,0,0,0|0,0,1]=3 13743 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,1,0,0,0,0|0,0,1]=3 13744 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [1,1,0,0,0,0|1,0,1]=4 13745 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [1,1,0,0,0,0|1,0,1]=4 13746 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [1,1,0,0,0,0|1,0,1]=4 13747 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [1,1,0,0,0,0|1,0,1]=4 13748 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [1,1,0,0,0,0|1,0,1]=4 13749 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [1,1,0,0,0,0|1,0,1]=4 13750 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [1,1,0,0,0,0|1,0,1]=4 13751 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [1,1,0,0,0,0|1,0,1]=4 13752 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [1,1,0,0,0,0|1,0,1]=4 13753 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [1,1,0,0,0,0|1,0,1]=4 13754 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [1,1,0,0,0,0|1,0,1]=4 13755 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [1,1,0,0,0,0|1,0,1]=4 13756 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [1,1,0,0,0,0|1,0,1]=4 13757 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [1,1,0,0,0,0|1,0,1]=4 13758 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [1,1,0,0,0,0|0,0,2]=4 13759 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [1,1,0,0,0,0|0,0,2]=4 13760 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [1,1,0,0,0,0|0,0,2]=4 13761 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [1,1,0,0,0,0|0,0,2]=4 13762 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [1,1,0,0,0,0|0,0,2]=4 13763 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [1,1,0,0,0,0|0,0,2]=4 13764 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [1,1,0,0,0,0|0,0,2]=4 13765 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [1,1,0,0,0,0|0,0,2]=4 13766 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [1,1,0,0,0,0|0,0,2]=4 13767 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [1,1,0,0,0,0|0,0,2]=4 13768 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [1,1,0,0,0,0|0,0,2]=4 13769 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [1,1,0,0,0,0|0,0,2]=4 13770 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,1,0,0,0,0|1,0,1]=4 13771 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,1,0,0,0,0|1,0,1]=4 13772 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,1,0,0,0,0|1,0,1]=4 13773 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 13774 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 13775 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [1,1,0,0,0,0|0,0,2]=4 13776 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [1,1,0,0,0,0|0,0,2]=4 13777 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 13778 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 13779 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,1,0,0,0,0|1,0,1]=4 13780 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [1,1,0,0,0,0|0,0,2]=4 13781 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,1,0,0,0,0|1,0,1]=4 13782 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,1,0,0,0,0|1,0,1]=4 13783 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,1,0,0,0,0|1,0,1]=4 13784 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,1,0,0,0,0|1,0,1]=4 13785 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [1,1,0,0,0,0|0,0,2]=4 13786 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [1,1,0,0,0,0|0,0,2]=4 13787 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,1,0,0,0,0|1,0,1]=4 13788 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,1,0,0,0,0|1,0,1]=4 13789 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,1,0,0,0,0|1,0,1]=4 13790 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 13791 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,1,0,0,0,0|1,0,1]=4 13792 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 13793 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [1,1,0,0,0,0|0,0,2]=4 13794 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [1,1,0,0,0,0|0,0,2]=4 13795 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,1,0,0,0,0|1,0,1]=4 13796 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,1,0,0,0,0|1,0,1]=4 13797 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [1,1,0,0,0,0|0,0,2]=4 13798 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,1,0,0,0,0|0,0,1]=3 13799 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [1,1,0,0,0,0|1,0,1]=4 13800 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [1,1,0,0,0,0|1,0,1]=4 13801 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [1,1,0,0,0,0|1,0,1]=4 13802 B11R0.3 CC=CCCCOCCOCC 34a_100020645299_100000210147 [1,1,0,0,0,0|1,0,1]=4 13803 B11R0.3 CC=CCCCOCCSCC 34a_100020645299_100000757381 [1,1,0,0,0,0|1,0,1]=4 13804 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,1,0,0,0,0|0,0,1]=3 13805 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [1,1,0,0,0,0|1,0,1]=4 13806 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [1,1,0,0,0,0|1,0,1]=4 13807 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [1,1,0,0,0,0|1,0,1]=4 13808 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [1,1,0,0,0,0|1,0,1]=4 13809 B11R0.3 CC=CCNCCCOCCC 2230a_100011217757_100000070051 [1,1,0,0,0,0|1,0,1]=4 13810 B11R0.3 CC=CCNCCCOCCC 34a_100011217757_100000070051 [1,1,0,0,0,0|1,0,1]=4 13811 B11R0.3 CC=CCNCCSCCCC 2230a_100025743550_100000070051 [1,1,0,0,0,0|1,0,1]=4 13812 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [1,1,0,0,0,0|1,0,1]=4 13813 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [1,1,0,0,0,0|1,0,1]=4 13814 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,1,0,0,0,0|0,0,1]=3 13815 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,1,0,0,0,0|0,0,1]=3 13816 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [1,1,0,0,0,0|1,0,1]=4 13817 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [1,1,0,0,0,0|1,0,1]=4 13818 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [1,1,0,0,0,0|1,0,1]=4 13819 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [1,1,0,0,0,0|1,0,1]=4 13820 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [1,1,0,0,0,0|1,0,1]=4 13821 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [1,1,0,0,0,0|1,0,1]=4 13822 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [1,1,0,0,0,0|1,0,1]=4 13823 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [1,1,0,0,0,0|1,0,1]=4 13824 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [1,1,0,0,0,0|1,0,1]=4 13825 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [1,1,0,0,0,0|1,0,1]=4 13826 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [1,1,0,0,0,0|0,0,2]=4 13827 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [1,1,0,0,0,0|0,0,2]=4 13828 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,1,0,0,0,0|0,0,1]=3 13829 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,1,0,0,0,0|0,0,1]=3 13830 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [1,1,0,0,0,0|1,0,1]=4 13831 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [1,1,0,0,0,0|1,0,1]=4 13832 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [1,1,0,0,0,0|1,0,1]=4 13833 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [1,1,0,0,0,0|1,0,1]=4 13834 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [1,1,0,0,0,0|1,0,1]=4 13835 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [1,1,0,0,0,0|1,0,1]=4 13836 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [1,1,0,0,0,0|1,0,1]=4 13837 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [1,1,0,0,0,0|1,0,1]=4 13838 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [1,1,0,0,0,0|1,0,1]=4 13839 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [1,1,0,0,0,0|1,0,1]=4 13840 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [1,1,0,0,0,0|1,0,1]=4 13841 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [1,1,0,0,0,0|1,0,1]=4 13842 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [1,1,0,0,0,0|1,0,1]=4 13843 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [1,1,0,0,0,0|1,0,1]=4 13844 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [1,1,0,0,0,0|0,0,2]=4 13845 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [1,1,0,0,0,0|0,0,2]=4 13846 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [1,1,0,0,0,0|0,0,2]=4 13847 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [1,1,0,0,0,0|0,0,2]=4 13848 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [1,1,0,0,0,0|0,0,2]=4 13849 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [1,1,0,0,0,0|1,0,1]=4 13850 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [1,1,0,0,0,0|1,0,1]=4 13851 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [1,1,0,0,0,0|1,0,1]=4 13852 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [1,1,0,0,0,0|1,0,1]=4 13853 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [1,1,0,0,0,0|0,0,2]=4 13854 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [1,1,0,0,0,0|0,0,2]=4 13855 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [1,1,0,0,0,0|1,0,1]=4 13856 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [1,1,0,0,0,0|1,0,1]=4 13857 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [1,1,0,0,0,0|1,0,1]=4 13858 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [1,1,0,0,0,0|1,0,1]=4 13859 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [1,1,0,0,0,0|0,0,2]=4 13860 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [1,1,0,0,0,0|0,0,2]=4 13861 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,1,0,0,0,0|0,0,2]=4 13862 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,1,0,0,0,0|0,0,2]=4 13863 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [1,1,0,0,0,0|1,0,1]=4 13864 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [1,1,0,0,0,0|1,0,1]=4 13865 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [1,1,0,0,0,0|1,0,1]=4 13866 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [1,1,0,0,0,0|1,0,1]=4 13867 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [1,1,0,0,0,0|0,0,2]=4 13868 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [1,1,0,0,0,0|0,0,2]=4 13869 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [1,1,0,0,0,0|0,0,2]=4 13870 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [1,1,0,0,0,0|0,0,2]=4 13871 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [1,1,0,0,0,0|1,0,1]=4 13872 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [1,1,0,0,0,0|1,0,1]=4 13873 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [1,1,0,0,0,0|1,0,1]=4 13874 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [1,1,0,0,0,0|1,0,1]=4 13875 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [1,1,0,0,0,0|1,0,1]=4 13876 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [1,1,0,0,0,0|1,0,1]=4 13877 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [1,1,0,0,0,0|1,0,1]=4 13878 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [1,1,0,0,0,0|1,0,1]=4 13879 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,1,0,0,0,0|0,0,1]=3 13880 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,1,0,0,0,0|0,0,1]=3 13881 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,1,0,0,0,0|0,0,1]=3 13882 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,1,0,0,0,0|0,0,1]=3 13883 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,1,0,0,0,0|0,0,1]=3 13884 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,1,0,0,0,0|0,0,1]=3 13885 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,1,0,0,0,0|0,0,1]=3 13886 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,1,0,0,0,0|0,0,1]=3 13887 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,1,0,0,0,0|0,0,1]=3 13888 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,1,0,0,0,0|0,0,1]=3 13889 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,1,0,0,0,0|0,0,1]=3 13890 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,1,0,0,0,0|0,0,1]=3 13891 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,1,0,0,0,0|0,0,1]=3 13892 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,1,0,0,0,0|0,0,1]=3 13893 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,1,0,0,0,0|0,0,1]=3 13894 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,1,0,0,0,0|0,0,1]=3 13895 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,1,0,0,0,0|0,0,1]=3 13896 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [1,1,0,0,0,0|1,0,0]=3 13897 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,1,0,0,0,0|0,0,1]=3 13898 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,1,0,0,0,0|0,0,1]=3 13899 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,1,0,0,0,0|0,0,1]=3 13900 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,1,0,0,0,0|1,0,0]=3 13901 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,1,0,0,0,0|1,0,0]=3 13902 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,1,0,0,0,0|0,0,1]=3 13903 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [1,1,0,0,0,0|1,0,0]=3 13904 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [1,1,0,0,0,0|1,0,1]=4 13905 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,1,0,0,0,0|0,0,0]=2 13906 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,1,0,0,0,0|0,0,0]=2 13907 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,1,0,0,0,0|0,0,1]=3 13908 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,1,0,0,0,0|0,0,1]=3 13909 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,1,0,0,0,0|1,0,1]=4 13910 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,1,0,0,0,0|1,0,1]=4 13911 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,1,0,0,0,0|1,0,1]=4 13912 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,1,0,0,0,0|0,0,2]=4 13913 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,1,0,0,0,0|0,0,2]=4 13914 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,1,0,0,0,0|0,0,2]=4 13915 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,1,0,0,0,0|0,0,2]=4 13916 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,1,0,0,0,0|1,0,0]=3 13917 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,1,0,0,0,0|1,0,0]=3 13918 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,1,0,0,0,0|1,0,0]=3 13919 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [1,1,0,0,0,0|1,0,1]=4 13920 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,1,0,0,0,0|0,0,0]=2 13921 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,1,0,0,0,0|0,0,0]=2 13922 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,1,0,0,0,0|1,0,1]=4 13923 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,1,0,0,0,0|0,0,1]=3 13924 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,1,0,0,0,0|0,0,1]=3 13925 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,1,0,0,0,0|0,0,1]=3 13926 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,1,0,0,0,0|1,0,1]=4 13927 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,1,0,0,0,0|1,0,1]=4 13928 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,1,0,0,0,0|1,0,1]=4 13929 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,1,0,0,0,0|0,0,2]=4 13930 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,1,0,0,0,0|0,0,2]=4 13931 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,1,0,0,0,0|1,0,0]=3 13932 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [1,1,0,0,0,0|1,0,1]=4 13933 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [1,1,0,0,0,0|1,0,1]=4 13934 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,1,0,0,0,0|0,0,0]=2 13935 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,1,0,0,0,0|0,0,0]=2 13936 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,1,0,0,0,0|0,0,1]=3 13937 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,1,0,0,0,0|0,0,1]=3 13938 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,1,0,0,0,0|1,0,1]=4 13939 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,1,0,0,0,0|1,0,1]=4 13940 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,1,0,0,0,0|0,0,2]=4 13941 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,1,0,0,0,0|0,0,2]=4 13942 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,1,0,0,0,0|1,0,0]=3 13943 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,1,0,0,0,0|1,0,0]=3 13944 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,1,0,0,0,0|1,0,0]=3 13945 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,1,0,0,0,0|1,0,0]=3 13946 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [1,1,0,0,0,0|1,0,1]=4 13947 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,1,0,0,0,0|0,0,1]=3 13948 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,1,0,0,0,0|0,0,1]=3 13949 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,1,0,0,0,0|0,0,1]=3 13950 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [1,1,0,0,0,0|1,0,1]=4 13951 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [1,1,0,0,0,0|1,0,1]=4 13952 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [1,1,0,0,0,0|1,0,1]=4 13953 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [1,1,0,0,0,0|0,0,2]=4 13954 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [1,1,0,0,0,0|1,0,0]=3 13955 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [1,1,0,0,0,0|1,0,0]=3 13956 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,1,0,0,0,0|1,0,0]=3 13957 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,1,0,0,0,0|1,0,0]=3 13958 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [1,1,0,0,0,0|1,0,1]=4 13959 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [1,1,0,0,0,0|1,0,1]=4 13960 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,1,0,0,0,0|0,0,1]=3 13961 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,1,0,0,0,0|0,0,1]=3 13962 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,1,0,0,0,0|0,0,1]=3 13963 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,1,0,0,0,0|0,0,1]=3 13964 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [1,1,0,0,0,0|1,0,1]=4 13965 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [1,1,0,0,0,0|1,0,1]=4 13966 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [1,1,0,0,0,0|1,0,1]=4 13967 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [1,1,0,0,0,0|1,0,1]=4 13968 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [1,1,0,0,0,0|1,0,1]=4 13969 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,1,0,0,0,0|0,0,2]=4 13970 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,1,0,0,0,0|0,0,2]=4 13971 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,1,0,0,0,0|1,0,0]=3 13972 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,1,0,0,0,0|1,0,0]=3 13973 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,1,0,0,0,0|1,0,0]=3 13974 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [1,1,0,0,0,0|2,0,0]=4 13975 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,1,0,0,0,0|1,0,0]=3 13976 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,1,0,0,0,0|1,0,0]=3 13977 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,1,0,0,0,0|1,0,0]=3 13978 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,1,0,0,0,0|1,0,0]=3 13979 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [1,1,0,0,0,0|1,0,1]=4 13980 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [1,1,0,0,0,0|1,0,1]=4 13981 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,1,0,0,0,0|0,0,1]=3 13982 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,1,0,0,0,0|0,0,1]=3 13983 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [1,1,0,0,0,0|1,0,1]=4 13984 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [1,1,0,0,0,0|1,0,1]=4 13985 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [1,1,0,0,0,0|0,0,2]=4 13986 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [1,1,0,0,0,0|0,0,2]=4 13987 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [1,1,0,0,0,0|1,0,0]=3 13988 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [1,1,0,0,0,0|1,0,0]=3 13989 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,1,0,0,0,0|1,0,0]=3 13990 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,1,0,0,0,0|1,0,0]=3 13991 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [1,1,0,0,0,0|1,0,1]=4 13992 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [1,1,0,0,0,0|1,0,1]=4 13993 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [1,1,0,0,0,0|1,0,1]=4 13994 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,1,0,0,0,0|0,0,0]=2 13995 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,1,0,0,0,0|0,0,1]=3 13996 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,1,0,0,0,0|0,0,1]=3 13997 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [1,1,0,0,0,0|1,0,1]=4 13998 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [1,1,0,0,0,0|0,0,2]=4 13999 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [1,1,0,0,0,0|0,0,2]=4 14000 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [1,1,0,0,0,0|0,0,2]=4 14001 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,1,0,0,0,0|1,0,0]=3 14002 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,1,0,0,0,0|1,0,0]=3 14003 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,1,0,0,0,0|1,0,0]=3 14004 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,1,0,0,0,0|1,0,1]=4 14005 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,1,0,0,0,0|1,0,1]=4 14006 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,1,0,0,0,0|1,0,1]=4 14007 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [1,1,0,0,0,0|1,0,1]=4 14008 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [1,1,0,0,0,0|1,0,1]=4 14009 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [1,1,0,0,0,0|1,0,1]=4 14010 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,1,0,0,0,0|0,0,0]=2 14011 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [1,1,0,0,0,0|1,0,1]=4 14012 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,1,0,0,0,0|0,0,1]=3 14013 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,1,0,0,0,0|0,0,1]=3 14014 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,1,0,0,0,0|0,0,1]=3 14015 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,1,0,0,0,0|0,0,1]=3 14016 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [1,1,0,0,0,0|1,0,1]=4 14017 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [1,1,0,0,0,0|1,0,1]=4 14018 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [1,1,0,0,0,0|1,0,1]=4 14019 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [1,1,0,0,0,0|1,0,1]=4 14020 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [1,1,0,0,0,0|1,0,1]=4 14021 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [1,1,0,0,0,0|1,0,1]=4 14022 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [1,1,0,0,0,0|1,0,1]=4 14023 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [1,1,0,0,0,0|1,0,1]=4 14024 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [1,1,0,0,0,0|0,0,2]=4 14025 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [1,1,0,0,0,0|0,0,2]=4 14026 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,1,0,0,0,0|1,0,0]=3 14027 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,1,0,0,0,0|1,0,0]=3 14028 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,1,0,0,0,0|1,0,0]=3 14029 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,1,0,0,0,0|1,0,0]=3 14030 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,1,0,0,0,0|1,0,0]=3 14031 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,1,0,0,0,0|1,0,0]=3 14032 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,1,0,0,0,0|1,0,1]=4 14033 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,1,0,0,0,0|1,0,1]=4 14034 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,1,0,0,0,0|1,0,1]=4 14035 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,1,0,0,0,0|1,0,1]=4 14036 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,1,0,0,0,0|1,0,1]=4 14037 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,1,0,0,0,0|1,0,1]=4 14038 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [1,1,0,0,0,0|2,0,0]=4 14039 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [1,1,0,0,0,0|2,0,0]=4 14040 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [1,1,0,0,0,0|1,0,1]=4 14041 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [1,1,0,0,0,0|1,0,1]=4 14042 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [1,1,0,0,0,0|1,0,1]=4 14043 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [1,1,0,0,0,0|1,0,1]=4 14044 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [1,1,0,0,0,0|1,0,1]=4 14045 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [1,1,0,0,0,0|1,0,1]=4 14046 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,1,0,0,0,0|0,0,0]=2 14047 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,1,0,0,0,0|0,0,0]=2 14048 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,1,0,0,0,0|0,0,1]=3 14049 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,1,0,0,0,0|0,0,1]=3 14050 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [1,1,0,0,0,0|1,0,1]=4 14051 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [1,1,0,0,0,0|1,0,1]=4 14052 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [1,1,0,0,0,0|0,0,2]=4 14053 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [1,1,0,0,0,0|0,0,2]=4 14054 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,1,0,0,0,0|1,0,0]=3 14055 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,1,0,0,0,0|1,0,0]=3 14056 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,1,0,0,0,0|1,0,1]=4 14057 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,1,0,0,0,0|1,0,1]=4 14058 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [1,1,0,0,0,0|1,0,1]=4 14059 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [1,1,0,0,0,0|1,0,1]=4 14060 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [1,1,0,0,0,0|1,0,1]=4 14061 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,1,0,0,0,0|0,0,0]=2 14062 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [1,1,0,0,0,0|1,0,1]=4 14063 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [1,1,0,0,0,0|0,0,2]=4 14064 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [1,1,0,0,0,0|0,0,2]=4 14065 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [1,1,0,0,0,0|0,0,2]=4 14066 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,1,0,0,0,0|1,0,0]=3 14067 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [1,1,0,0,0,0|1,0,1]=4 14068 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [1,1,0,0,0,0|1,0,1]=4 14069 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [1,1,0,0,0,0|1,0,1]=4 14070 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,1,0,0,0,0|1,0,0]=3 14071 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [1,1,0,0,0,0|1,0,1]=4 14072 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [1,1,0,0,0,0|1,0,1]=4 14073 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [1,1,0,0,0,0|1,0,1]=4 14074 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [1,1,0,0,0,0|1,0,1]=4 14075 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [1,1,0,0,0,0|2,0,0]=4 14076 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [1,1,0,0,0,0|1,0,1]=4 14077 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [1,1,0,0,0,0|1,0,1]=4 14078 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [1,1,0,0,0,0|2,0,0]=4 14079 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [1,1,0,0,0,0|1,0,1]=4 14080 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,1,0,0,0,0|0,0,0]=2 14081 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [1,1,0,0,0,0|1,0,1]=4 14082 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [1,1,0,0,0,0|1,0,1]=4 14083 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [1,1,0,0,0,0|1,0,1]=4 14084 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [1,1,0,0,0,0|1,0,1]=4 14085 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [1,1,0,0,0,0|1,0,1]=4 14086 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [1,1,0,0,0,0|1,0,1]=4 14087 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [1,1,0,0,0,0|1,0,1]=4 14088 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [1,1,0,0,0,0|1,0,1]=4 14089 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [1,1,0,0,0,0|1,0,1]=4 14090 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [1,1,0,0,0,0|0,0,2]=4 14091 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [1,1,0,0,0,0|0,0,2]=4 14092 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,1,0,0,0,0|1,0,0]=3 14093 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,1,0,0,0,0|1,0,0]=3 14094 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,1,0,0,0,0|1,0,0]=3 14095 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,1,0,0,0,0|1,0,0]=3 14096 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,1,0,0,0,0|1,0,0]=3 14097 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,1,0,0,0,0|1,0,1]=4 14098 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,1,0,0,0,0|1,0,1]=4 14099 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,1,0,0,0,0|1,0,1]=4 14100 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,1,0,0,0,0|1,0,1]=4 14101 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,1,0,0,0,0|1,0,1]=4 14102 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,1,0,0,0,0|1,0,1]=4 14103 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,1,0,0,0,0|1,0,0]=3 14104 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,1,0,0,0,0|1,0,0]=3 14105 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,1,0,0,0,0|1,0,1]=4 14106 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,1,0,0,0,0|1,0,1]=4 14107 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,1,0,0,0,0|1,0,1]=4 14108 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,1,0,0,0,0|1,0,1]=4 14109 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,1,0,0,0,0|1,0,1]=4 14110 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,1,0,0,0,0|1,0,1]=4 14111 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [1,1,0,0,0,0|2,0,0]=4 14112 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [1,1,0,0,0,0|1,0,1]=4 14113 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [1,1,0,0,0,0|1,0,1]=4 14114 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [1,1,0,0,0,0|1,0,1]=4 14115 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [1,1,0,0,0,0|1,0,1]=4 14116 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [1,1,0,0,0,0|1,0,1]=4 14117 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,1,0,0,0,0|0,0,0]=2 14118 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,1,0,0,0,0|0,0,0]=2 14119 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [1,1,0,0,0,0|1,0,1]=4 14120 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [1,1,0,0,0,0|1,0,1]=4 14121 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [1,1,0,0,0,0|0,0,2]=4 14122 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [1,1,0,0,0,0|0,0,2]=4 14123 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,1,0,0,0,0|1,0,0]=3 14124 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,1,0,0,0,0|1,0,0]=3 14125 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [1,1,0,0,0,0|1,0,1]=4 14126 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [1,1,0,0,0,0|1,0,1]=4 14127 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [1,1,0,0,0,0|1,0,1]=4 14128 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [1,1,0,0,0,0|1,0,1]=4 14129 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [1,1,0,0,0,0|1,0,1]=4 14130 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [1,1,0,0,0,0|1,0,1]=4 14131 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [1,1,0,0,0,0|2,0,0]=4 14132 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [1,1,0,0,0,0|2,0,0]=4 14133 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [1,1,0,0,0,0|1,0,1]=4 14134 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [1,1,0,0,0,0|1,0,1]=4 14135 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,1,0,0,0,0|0,0,0]=2 14136 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,1,0,0,0,0|0,0,0]=2 14137 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [1,1,0,0,0,0|1,0,1]=4 14138 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [1,1,0,0,0,0|1,0,1]=4 14139 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [1,1,0,0,0,0|0,0,2]=4 14140 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [1,1,0,0,0,0|0,0,2]=4 14141 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [1,1,0,0,0,0|0,0,2]=4 14142 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [1,1,0,0,0,0|0,0,2]=4 14143 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [1,1,0,0,0,0|1,0,0]=3 14144 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [1,1,0,0,0,0|1,0,0]=3 14145 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [1,1,0,0,0,0|1,0,1]=4 14146 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [1,1,0,0,0,0|2,0,0]=4 14147 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [1,1,0,0,0,0|1,0,1]=4 14148 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [1,1,0,0,0,0|1,0,1]=4 14149 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [1,1,0,0,0,0|1,0,1]=4 14150 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [1,1,0,0,0,0|1,0,1]=4 14151 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [1,1,0,0,0,0|2,0,0]=4 14152 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [1,1,0,0,0,0|2,0,0]=4 14153 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [1,1,0,0,0,0|2,0,0]=4 14154 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [1,1,0,0,0,0|2,0,0]=4 14155 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [1,1,0,0,0,0|1,0,1]=4 14156 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [1,1,0,0,0,0|1,0,1]=4 14157 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,1,0,0,0,0|0,0,0]=2 14158 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [1,1,0,0,0,0|1,0,1]=4 14159 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [1,1,0,0,0,0|1,0,1]=4 14160 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [1,1,0,0,0,0|1,0,1]=4 14161 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [1,1,0,0,0,0|1,0,1]=4 14162 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [1,1,0,0,0,0|1,0,1]=4 14163 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [1,1,0,0,0,0|1,0,1]=4 14164 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [1,1,0,0,0,0|1,0,1]=4 14165 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [1,1,0,0,0,0|1,0,1]=4 14166 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [1,1,0,0,0,0|1,0,1]=4 14167 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [1,1,0,0,0,0|0,0,2]=4 14168 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [1,1,0,0,0,0|0,0,2]=4 14169 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,1,0,0,0,0|1,0,0]=3 14170 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,1,0,0,0,0|1,0,1]=4 14171 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,1,0,0,0,0|1,0,1]=4 14172 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [1,1,0,0,0,0|2,0,0]=4 14173 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [1,1,0,0,0,0|2,0,0]=4 14174 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,1,0,0,0,0|1,0,0]=3 14175 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,1,0,0,0,0|1,0,0]=3 14176 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [1,1,0,0,0,0|1,0,1]=4 14177 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [1,1,0,0,0,0|1,0,1]=4 14178 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [1,1,0,0,0,0|2,0,0]=4 14179 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [1,1,0,0,0,0|2,0,0]=4 14180 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [1,1,0,0,0,0|2,0,0]=4 14181 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,1,0,0,0,0|1,0,0]=3 14182 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,1,0,0,0,0|1,0,0]=3 14183 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [1,1,0,0,0,0|1,0,1]=4 14184 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [1,1,0,0,0,0|1,0,1]=4 14185 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [1,1,0,0,0,0|2,0,0]=4 14186 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [1,1,0,0,0,0|2,0,0]=4 14187 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [1,1,0,0,0,0|2,0,0]=4 14188 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [1,1,0,0,0,0|1,0,1]=4 14189 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [1,1,0,0,0,0|1,0,1]=4 14190 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [1,1,0,0,0,0|1,0,1]=4 14191 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [1,1,0,0,0,0|1,0,1]=4 14192 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [1,1,0,0,0,0|2,0,0]=4 14193 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [1,1,0,0,0,0|2,0,0]=4 14194 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [1,1,0,0,0,0|2,0,0]=4 14195 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [1,1,0,0,0,0|2,0,0]=4 14196 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [1,1,0,0,0,0|2,0,0]=4 14197 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [1,1,0,0,0,0|2,0,0]=4 14198 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [1,1,0,0,0,0|2,0,0]=4 14199 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [1,1,0,0,0,0|2,0,0]=4 14200 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [1,1,0,0,0,0|2,0,0]=4 14201 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [1,1,0,0,0,0|2,0,0]=4 14202 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [1,1,0,0,0,0|2,0,0]=4 14203 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [1,1,0,0,0,0|2,0,0]=4 14204 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [1,1,0,0,0,0|2,0,0]=4 14205 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [1,1,0,0,0,0|2,0,0]=4 14206 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [1,1,0,0,0,0|2,0,0]=4 14207 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [1,1,0,0,0,0|2,0,0]=4 14208 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [1,1,0,0,0,0|1,0,1]=4 14209 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [1,1,0,0,0,0|1,0,1]=4 14210 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [1,1,0,0,0,0|1,0,1]=4 14211 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [1,1,0,0,0,0|1,0,1]=4 14212 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [1,1,0,0,0,0|2,0,0]=4 14213 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [1,1,0,0,0,0|2,0,0]=4 14214 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [1,1,0,0,0,0|2,0,0]=4 14215 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [1,1,0,0,0,0|2,0,0]=4 14216 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [1,1,0,0,0,0|2,0,0]=4 14217 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [1,1,0,0,0,0|2,0,0]=4 14218 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [1,1,0,0,0,0|2,0,0]=4 14219 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [1,1,0,0,0,0|2,0,0]=4 14220 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [1,1,0,0,0,0|2,0,0]=4 14221 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [1,1,0,0,0,0|1,0,0]=3 14222 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [1,1,0,0,0,0|1,0,0]=3 14223 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [1,1,0,0,0,0|2,0,0]=4 14224 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [1,1,0,0,0,0|2,0,0]=4 14225 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [1,1,0,0,0,0|1,0,1]=4 14226 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [1,1,0,0,0,0|1,0,1]=4 14227 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,1,0,0,0,0|0,0,0]=2 14228 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,1,0,0,0,0|0,0,0]=2 14229 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [1,1,0,0,0,0|1,0,1]=4 14230 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [1,1,0,0,0,0|1,0,1]=4 14231 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [1,1,0,0,0,0|0,0,2]=4 14232 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [1,1,0,0,0,0|0,0,2]=4 14233 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [1,1,0,0,0,0|2,0,0]=4 14234 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [1,1,0,0,0,0|2,0,0]=4 14235 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [1,1,0,0,0,0|2,0,0]=4 14236 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [1,1,0,0,0,0|2,0,0]=4 14237 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [1,1,0,0,0,0|2,0,0]=4 14238 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [1,1,0,0,0,0|2,0,0]=4 14239 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [1,1,0,0,0,0|2,0,0]=4 14240 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [1,1,0,0,0,0|2,0,0]=4 14241 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [1,1,0,0,0,0|0,0,2]=4 14242 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [1,1,0,0,0,0|0,0,2]=4 14243 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [1,1,0,0,0,0|2,0,0]=4 14244 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [1,1,0,0,0,0|2,0,0]=4 14245 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,1,0,0,0,0|1,0,1]=4 14246 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,1,0,0,0,0|1,0,1]=4 14247 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,1,0,0,0,0|1,0,1]=4 14248 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,1,0,0,0,0|0,0,2]=4 14249 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,1,0,0,0,0|1,0,0]=3 14250 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,1,0,0,0,0|1,0,0]=3 14251 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,1,0,0,0,0|1,0,0]=3 14252 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [1,1,0,0,0,0|2,0,0]=4 14253 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [1,1,0,0,0,0|2,0,0]=4 14254 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [1,1,0,0,0,0|2,0,0]=4 14255 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [1,1,0,0,0,0|2,0,0]=4 14256 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [1,1,0,0,0,0|2,0,0]=4 14257 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [1,1,0,0,0,0|1,0,0]=3 14258 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [1,1,0,0,0,0|2,0,0]=4 14259 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [1,1,0,0,0,0|2,0,0]=4 14260 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [1,1,0,0,0,0|2,0,0]=4 14261 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [1,1,0,0,0,0|2,0,0]=4 14262 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [1,1,0,0,0,0|1,0,0]=3 14263 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [1,1,0,0,0,0|2,0,0]=4 14264 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [1,1,0,0,0,0|2,0,0]=4 14265 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [1,1,0,0,0,0|2,0,0]=4 14266 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [1,1,0,0,0,0|2,0,0]=4 14267 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [1,1,0,0,0,0|2,0,0]=4 14268 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [1,1,0,0,0,0|2,0,0]=4 14269 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [1,1,0,0,0,0|1,0,0]=3 14270 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [1,1,0,0,0,0|1,0,0]=3 14271 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [1,1,0,0,0,0|2,0,0]=4 14272 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [1,1,0,0,0,0|2,0,0]=4 14273 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [1,1,0,0,0,0|1,0,1]=4 14274 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [1,1,0,0,0,0|1,0,1]=4 14275 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [1,1,0,0,0,0|0,0,2]=4 14276 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [1,1,0,0,0,0|0,0,2]=4 14277 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,1,0,0,0,0|1,0,0]=3 14278 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,1,0,0,0,0|1,0,0]=3 14279 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [1,1,0,0,0,0|2,0,0]=4 14280 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [1,1,0,0,0,0|2,0,0]=4 14281 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [1,1,0,0,0,0|1,0,0]=3 14282 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [1,1,0,0,0,0|2,0,0]=4 14283 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [1,1,0,0,0,0|1,0,0]=3 14284 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [1,1,0,0,0,0|2,0,0]=4 14285 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [1,1,0,0,0,0|2,0,0]=4 14286 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,1,0,0,0,0|0,0,2]=4 14287 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,1,0,0,0,0|0,0,2]=4 14288 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,1,0,0,0,0|0,0,2]=4 14289 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,1,0,0,0,0|1,0,1]=4 14290 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,1,0,0,0,0|1,0,1]=4 14291 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,1,0,0,0,0|1,0,1]=4 14292 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,1,0,0,0,0|1,0,1]=4 14293 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,1,0,0,0,0|1,0,1]=4 14294 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,1,0,0,0,0|0,0,2]=4 14295 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [1,1,0,0,0,0|1,0,0]=3 14296 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [1,1,0,0,0,0|2,0,0]=4 14297 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [1,1,0,0,0,0|2,0,0]=4 14298 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [1,1,0,0,0,0|2,0,0]=4 14299 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [1,1,0,0,0,0|2,0,0]=4 14300 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [1,1,0,0,0,0|1,0,0]=3 14301 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [1,1,0,0,0,0|2,0,0]=4 14302 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [1,1,0,0,0,0|2,0,0]=4 14303 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [1,1,0,0,0,0|2,0,0]=4 14304 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [1,1,0,0,0,0|2,0,0]=4 14305 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [1,1,0,0,0,0|2,0,0]=4 14306 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [1,1,0,0,0,0|2,0,0]=4 14307 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [1,1,0,0,0,0|2,0,0]=4 14308 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [1,1,0,0,0,0|2,0,0]=4 14309 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [1,1,0,0,0,0|1,0,0]=3 14310 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [1,1,0,0,0,0|1,0,0]=3 14311 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [1,1,0,0,0,0|2,0,0]=4 14312 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [1,1,0,0,0,0|2,0,0]=4 14313 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [1,1,0,0,0,0|1,0,0]=3 14314 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [1,1,0,0,0,0|2,0,0]=4 14315 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [1,1,0,0,0,0|2,0,0]=4 14316 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [1,1,0,0,0,0|1,0,0]=3 14317 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [1,1,0,0,0,0|2,0,0]=4 14318 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [1,1,0,0,0,0|2,0,0]=4 14319 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [1,1,0,0,0,0|2,0,0]=4 14320 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [1,1,0,0,0,0|2,0,0]=4 14321 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [1,1,0,0,0,0|2,0,0]=4 14322 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [1,1,0,0,0,0|2,0,0]=4 14323 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [1,1,0,0,0,0|2,0,0]=4 14324 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [1,1,0,0,0,0|2,0,0]=4 14325 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [1,1,0,0,0,0|2,0,0]=4 14326 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [1,1,0,0,0,0|2,0,0]=4 14327 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [1,1,0,0,0,0|2,0,0]=4 14328 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [1,1,0,0,0,0|1,0,0]=3 14329 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [1,1,0,0,0,0|1,0,0]=3 14330 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [1,1,0,0,0,0|2,0,0]=4 14331 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [1,1,0,0,0,0|2,0,0]=4 14332 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [1,1,0,0,0,0|1,0,0]=3 14333 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [1,1,0,0,0,0|1,0,0]=3 14334 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,1,0,0,0,0|0,0,2]=4 14335 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,1,0,0,0,0|0,0,2]=4 14336 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [1,1,0,0,0,0|1,0,0]=3 14337 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [1,1,0,0,0,0|2,0,0]=4 14338 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [1,1,0,0,0,0|2,0,0]=4 14339 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [1,1,0,0,0,0|1,0,0]=3 14340 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [1,1,0,0,0,0|2,0,0]=4 14341 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [1,1,0,0,0,0|1,0,0]=3 14342 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [1,1,0,0,0,0|2,0,0]=4 14343 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [1,1,0,0,0,0|2,0,0]=4 14344 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [1,1,0,0,0,0|2,0,0]=4 14345 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [1,1,0,0,0,0|2,0,0]=4 14346 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [1,1,0,0,0,0|2,0,0]=4 14347 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [1,1,0,0,0,0|1,0,0]=3 14348 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [1,1,0,0,0,0|1,0,0]=3 14349 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [1,1,0,0,0,0|2,0,0]=4 14350 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [1,1,0,0,0,0|2,0,0]=4 14351 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,1,0,0,0,0|1,0,0]=3 14352 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,1,0,0,0,0|1,0,0]=3 14353 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,1,0,0,0,0|1,0,0]=3 14354 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,1,0,0,0,0|1,0,0]=3 14355 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,1,0,0,0,0|1,0,0]=3 14356 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [1,1,0,0,0,0|2,0,0]=4 14357 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [1,1,0,0,0,0|2,0,0]=4 14358 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [1,1,0,0,0,0|2,0,0]=4 14359 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [1,1,0,0,0,0|2,0,0]=4 14360 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [1,1,0,0,0,0|2,0,0]=4 14361 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [1,1,0,0,0,0|2,0,0]=4 14362 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [1,1,0,0,0,0|2,0,0]=4 14363 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [1,1,0,0,0,0|1,0,0]=3 14364 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [1,1,0,0,0,0|1,0,0]=3 14365 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [1,1,0,0,0,0|1,0,0]=3 14366 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [1,1,0,0,0,0|1,0,0]=3 14367 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [1,1,0,0,0,0|1,0,0]=3 14368 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,1,0,0,0,0|1,0,0]=3 14369 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [1,1,0,0,0,0|2,0,0]=4 14370 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [1,1,0,0,0,0|2,0,0]=4 14371 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [1,1,0,0,0,0|2,0,0]=4 14372 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,1,0,0,0,0|1,0,0]=3 14373 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,1,0,0,0,0|1,0,0]=3 14374 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [1,1,0,0,0,0|2,0,0]=4 14375 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [1,1,0,0,0,0|2,0,0]=4 14376 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [1,1,0,0,0,0|2,0,0]=4 14377 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [1,1,0,0,0,0|2,0,0]=4 14378 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [1,1,0,0,0,0|2,0,0]=4 14379 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [1,1,0,0,0,0|2,0,0]=4 14380 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [1,1,0,0,0,0|2,0,0]=4 14381 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,1,0,0,0,0|1,0,0]=3 14382 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,1,0,0,0,0|1,0,0]=3 14383 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [1,1,0,0,0,0|2,0,0]=4 14384 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [1,1,0,0,0,0|2,0,0]=4 14385 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [1,1,0,0,0,0|2,0,0]=4 14386 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [1,1,0,0,0,0|2,0,0]=4 14387 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [1,1,0,0,0,0|2,0,0]=4 14388 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [1,1,0,0,0,0|2,0,0]=4 14389 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [1,1,0,0,0,0|2,0,0]=4 14390 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [1,1,0,0,0,0|2,0,0]=4 14391 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [1,1,0,0,0,0|2,0,0]=4 14392 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [1,1,0,0,0,0|2,0,0]=4 14393 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [1,1,0,0,0,0|2,0,0]=4 14394 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [1,1,0,0,0,0|2,0,0]=4 14395 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [1,1,0,0,0,0|2,0,0]=4 14396 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [1,1,0,0,0,0|2,0,0]=4 14397 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [1,1,0,0,0,0|2,0,0]=4 14398 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [1,1,0,0,0,0|2,0,0]=4 14399 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [1,1,0,0,0,0|2,0,0]=4 14400 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [1,1,0,0,0,0|2,0,0]=4 14401 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [1,1,0,0,0,0|2,0,0]=4 14402 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [1,1,0,0,0,0|2,0,0]=4 14403 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [1,1,0,0,0,0|2,0,0]=4 14404 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [1,1,0,0,0,0|2,0,0]=4 14405 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [1,1,0,0,0,0|2,0,0]=4 14406 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [1,1,0,0,0,0|2,0,0]=4 14407 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [1,1,0,0,0,0|2,0,0]=4 14408 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [1,1,0,0,0,0|2,0,0]=4 14409 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [1,1,0,0,0,0|2,0,0]=4 14410 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [1,1,0,0,0,0|2,0,0]=4 14411 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [1,1,0,0,0,0|2,0,0]=4 14412 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [1,1,0,0,0,0|2,0,0]=4 14413 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [1,1,0,0,0,0|2,0,0]=4 14414 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [1,1,0,0,0,0|2,0,0]=4 14415 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [1,1,0,0,0,0|2,0,0]=4 14416 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,1,0,0,0,0|1,0,0]=3 14417 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,1,0,0,0,0|1,0,0]=3 14418 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [1,1,0,0,0,0|2,0,0]=4 14419 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [1,1,0,0,0,0|2,0,0]=4 14420 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [1,1,0,0,0,0|2,0,0]=4 14421 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [1,1,0,0,0,0|2,0,0]=4 14422 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [1,1,0,0,0,0|2,0,0]=4 14423 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [1,1,0,0,0,0|2,0,0]=4 14424 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [1,1,0,0,0,0|2,0,0]=4 14425 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [1,1,0,0,0,0|2,0,0]=4 14426 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [1,1,0,0,0,0|2,0,0]=4 14427 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [1,1,0,0,0,0|2,0,0]=4 14428 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [1,1,0,0,0,0|2,0,0]=4 14429 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [1,1,0,0,0,0|2,0,0]=4 14430 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [1,1,0,0,0,0|2,0,0]=4 14431 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [1,1,0,0,0,0|2,0,0]=4 14432 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [1,1,0,0,0,0|2,0,0]=4 14433 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [1,1,0,0,0,0|2,0,0]=4 14434 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [1,1,0,0,0,0|2,0,0]=4 14435 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [1,1,0,0,0,0|2,0,0]=4 14436 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [1,1,0,0,0,0|2,0,0]=4 14437 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [1,1,0,0,0,0|2,0,0]=4 14438 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [1,1,0,0,0,0|2,0,0]=4 14439 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,1,0,0,0,0|1,0,0]=3 14440 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,1,0,0,0,0|1,0,0]=3 14441 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [1,1,0,0,0,0|2,0,0]=4 14442 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [1,1,0,0,0,0|2,0,0]=4 14443 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [1,1,0,0,0,0|2,0,0]=4 14444 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [1,1,0,0,0,0|2,0,0]=4 14445 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,1,0,0,0,0|1,0,0]=3 14446 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [1,1,0,0,0,0|2,0,0]=4 14447 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [1,1,0,0,0,0|2,0,0]=4 14448 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [1,1,0,0,0,0|2,0,0]=4 14449 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [1,1,0,0,0,0|2,0,0]=4 14450 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [1,1,0,0,0,0|2,0,0]=4 14451 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [1,1,0,0,0,0|2,0,0]=4 14452 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [1,1,0,0,0,0|2,0,0]=4 14453 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [1,1,0,0,0,0|2,0,0]=4 14454 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [1,1,0,0,0,0|2,0,0]=4 14455 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [1,1,0,0,0,0|2,0,0]=4 14456 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [1,1,0,0,0,0|2,0,0]=4 14457 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [1,1,0,0,0,0|2,0,0]=4 14458 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [1,1,0,0,0,0|2,0,0]=4 14459 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [1,1,0,0,0,0|2,0,0]=4 14460 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [1,1,0,0,0,0|2,0,0]=4 14461 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [1,1,0,0,0,0|2,0,0]=4 14462 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [1,1,0,0,0,0|2,0,0]=4 14463 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [1,1,0,0,0,0|2,0,0]=4 14464 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [1,1,0,0,0,0|2,0,0]=4 14465 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,1,0,0,0,0|1,0,0]=3 14466 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,1,0,0,0,0|1,0,0]=3 14467 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [1,1,0,0,0,0|2,0,0]=4 14468 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [1,1,0,0,0,0|2,0,0]=4 14469 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [1,1,0,0,0,0|2,0,0]=4 14470 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [1,1,0,0,0,0|2,0,0]=4 14471 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [1,1,0,0,0,0|2,0,0]=4 14472 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [1,1,0,0,0,0|2,0,0]=4 14473 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [1,1,0,0,0,0|2,0,0]=4 14474 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,1,0,0,0,0|1,0,0]=3 14475 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,1,0,0,0,0|1,0,0]=3 14476 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,1,0,0,0,0|1,0,0]=3 14477 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [1,1,0,0,0,0|2,0,0]=4 14478 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [1,1,0,0,0,0|2,0,0]=4 14479 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [1,1,0,0,0,0|2,0,0]=4 14480 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [1,1,0,0,0,0|2,0,0]=4 14481 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,1,0,0,0,0|1,0,0]=3 14482 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [1,1,0,0,0,0|2,0,0]=4 14483 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [1,1,0,0,0,0|2,0,0]=4 14484 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,1,0,0,0,0|1,0,0]=3 14485 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [1,1,0,0,0,0|2,0,0]=4 14486 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [1,1,0,0,0,0|2,0,0]=4 14487 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [1,1,0,0,0,0|2,0,0]=4 14488 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [1,1,0,0,0,0|2,0,0]=4 14489 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,1,0,0,0,0|1,0,0]=3 14490 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [1,1,0,0,0,0|2,0,0]=4 14491 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [1,1,0,0,0,0|2,0,0]=4 14492 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [1,1,0,0,0,0|2,0,0]=4 14493 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [1,1,0,0,0,0|2,0,0]=4 14494 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,1,0,0,0,0|1,0,0]=3 14495 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [1,1,0,0,0,0|2,0,0]=4 14496 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [1,1,0,0,0,0|2,0,0]=4 14497 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [1,1,0,0,0,0|2,0,0]=4 14498 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [1,1,0,0,0,0|2,0,0]=4 14499 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [1,1,0,0,0,0|2,0,0]=4 14500 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [1,1,0,0,0,0|2,0,0]=4 14501 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [1,1,0,0,0,0|2,0,0]=4 14502 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [1,1,0,0,0,0|2,0,0]=4 14503 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [1,1,0,0,0,0|2,0,0]=4 14504 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [1,1,0,0,0,0|2,0,0]=4 14505 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [1,1,0,0,0,0|2,0,0]=4 14506 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,1,0,0,0,0|1,0,0]=3 14507 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,1,0,0,0,0|1,0,0]=3 14508 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [1,1,0,0,0,0|2,0,0]=4 14509 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [1,1,0,0,0,0|2,0,0]=4 14510 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [1,1,0,0,0,0|2,0,0]=4 14511 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [1,1,0,0,0,0|2,0,0]=4 14512 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [1,1,0,0,0,0|2,0,0]=4 14513 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [1,1,0,0,0,0|2,0,0]=4 14514 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [1,1,0,0,0,0|2,0,0]=4 14515 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [1,1,0,0,0,0|2,0,0]=4 14516 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [1,1,0,0,0,0|2,0,0]=4 14517 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [1,1,0,0,0,0|2,0,0]=4 14518 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [1,1,0,0,0,0|2,0,0]=4 14519 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [1,1,0,0,0,0|2,0,0]=4 14520 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [1,1,0,0,0,0|2,0,0]=4 14521 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [1,1,0,0,0,0|2,0,0]=4 14522 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [1,1,0,0,0,0|1,0,1]=4 14523 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [1,1,0,0,0,0|1,0,1]=4 14524 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [1,1,0,0,0,0|1,0,1]=4 14525 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [1,1,0,0,0,0|1,0,1]=4 14526 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [1,1,0,0,0,0|1,0,1]=4 14527 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [1,1,0,0,0,0|1,0,1]=4 14528 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [1,1,0,0,0,0|1,0,1]=4 14529 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [1,1,0,0,0,0|1,0,1]=4 14530 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [1,1,0,0,0,0|2,0,0]=4 14531 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,0]=3 14532 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [1,1,0,0,0,0|2,0,0]=4 14533 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,1,0,0,0,0|1,0,0]=3 14534 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,1,0,0,0,0|1,0,0]=3 14535 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,1,0,0,0,0|1,0,0]=3 14536 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,1,0,0,0,0|1,0,0]=3 14537 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,1,0,0,0,0|1,0,0]=3 14538 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,1,0,0,0,0|1,0,0]=3 14539 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,1,0,0,0,0|1,0,0]=3 14540 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,1,0,0,0,0|1,0,0]=3 14541 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [1,1,0,0,0,0|1,0,1]=4 14542 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [1,1,0,0,0,0|1,0,1]=4 14543 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,1,0,0,0,0|1,0,0]=3 14544 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,1,0,0,0,0|1,0,0]=3 14545 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,1,0,0,0,0|1,0,0]=3 14546 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,1,0,0,0,0|1,0,0]=3 14547 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,1,0,0,0,0|1,0,0]=3 14548 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [1,1,0,0,0,0|2,0,0]=4 14549 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [1,1,0,0,0,0|2,0,0]=4 14550 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,1,0,0,0,0|1,0,0]=3 14551 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,1,0,0,0,0|1,0,0]=3 14552 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,1,0,0,0,0|1,0,0]=3 14553 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [1,1,0,0,0,0|2,0,0]=4 14554 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [1,1,0,0,0,0|2,0,0]=4 14555 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [1,1,0,0,0,0|2,0,0]=4 14556 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [1,1,0,0,0,0|2,0,0]=4 14557 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,1,0,0,0,0|1,0,0]=3 14558 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,1,0,0,0,0|1,0,0]=3 14559 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,1,0,0,0,0|1,0,0]=3 14560 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,1,0,0,0,0|1,0,0]=3 14561 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [1,1,0,0,0,0|2,0,0]=4 14562 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [1,1,0,0,0,0|2,0,0]=4 14563 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,1,0,0,0,0|1,0,0]=3 14564 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,0]=3 14565 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [1,1,0,0,0,0|2,0,0]=4 14566 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [1,1,0,0,0,0|2,0,0]=4 14567 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,1,0,0,0,0|1,0,0]=3 14568 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,1,0,0,0,0|1,0,0]=3 14569 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,1,0,0,0,0|1,0,0]=3 14570 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,1,0,0,0,0|1,0,0]=3 14571 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [1,1,0,0,0,0|2,0,0]=4 14572 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [1,1,0,0,0,0|2,0,0]=4 14573 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [1,1,0,0,0,0|2,0,0]=4 14574 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,1,0,0,0,0|1,0,0]=3 14575 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,1,0,0,0,0|1,0,0]=3 14576 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [1,1,0,0,0,0|1,0,0]=3 14577 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [1,1,0,0,0,0|1,0,0]=3 14578 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [1,1,0,0,0,0|1,0,0]=3 14579 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [1,1,0,0,0,0|1,0,0]=3 14580 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [1,1,0,0,0,0|1,0,0]=3 14581 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,1,0,0,0,0|1,0,0]=3 14582 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,1,0,0,0,0|1,0,0]=3 14583 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [1,1,0,0,0,0|1,0,1]=4 14584 B11R0.4 C/C=C/CCOCC(C)CCC 34a_100016278192_100011216630 [1,1,0,0,0,0|1,0,1]=4 14585 B11R0.4 C/C=C/COCCC(C)CCC 34a_100011217855_100102629194 [1,1,0,0,0,0|1,0,1]=4 14586 B11R0.4 C/C=C/COCCC(C)CCC 7a_100011217855_100102629194 [1,1,0,0,0,0|1,0,1]=4 14587 B11R0.4 C/C=C/COCC[C@@H](N)CCC 34a_100015193777_100102629194 [1,1,0,0,0,0|1,0,1]=4 14588 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,1,0,0,0,0|0,0,2]=4 14589 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,1,0,0,0,0|0,0,2]=4 14590 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [1,1,0,0,0,0|1,0,1]=4 14591 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [1,1,0,0,0,0|1,0,1]=4 14592 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [1,1,0,0,0,0|0,0,2]=4 14593 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [1,1,0,0,0,0|0,0,2]=4 14594 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [1,1,0,0,0,0|1,0,1]=4 14595 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [1,1,0,0,0,0|1,0,1]=4 14596 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [1,1,0,0,0,0|1,0,1]=4 14597 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [1,1,0,0,0,0|1,0,1]=4 14598 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [1,1,0,0,0,0|1,0,1]=4 14599 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [1,1,0,0,0,0|1,0,1]=4 14600 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [1,1,0,0,0,0|1,0,1]=4 14601 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [1,1,0,0,0,0|1,0,1]=4 14602 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [1,1,0,0,0,0|1,0,1]=4 14603 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [1,1,0,0,0,0|1,0,1]=4 14604 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [1,1,0,0,0,0|1,0,1]=4 14605 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [1,1,0,0,0,0|1,0,1]=4 14606 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [1,1,0,0,0,0|1,0,1]=4 14607 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [1,1,0,0,0,0|1,0,1]=4 14608 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [1,1,0,0,0,0|1,0,1]=4 14609 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [1,1,0,0,0,0|1,0,1]=4 14610 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [1,1,0,0,0,0|1,0,1]=4 14611 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [1,1,0,0,0,0|1,0,1]=4 14612 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [1,1,0,0,0,0|1,0,1]=4 14613 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [1,1,0,0,0,0|1,0,1]=4 14614 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [1,1,0,0,0,0|1,0,1]=4 14615 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [1,1,0,0,0,0|1,0,1]=4 14616 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [1,1,0,0,0,0|1,0,1]=4 14617 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [1,1,0,0,0,0|1,0,1]=4 14618 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [1,1,0,0,0,0|1,0,1]=4 14619 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [1,1,0,0,0,0|1,0,1]=4 14620 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [1,1,0,0,0,0|1,0,1]=4 14621 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [1,1,0,0,0,0|1,0,1]=4 14622 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [1,1,0,0,0,0|1,0,1]=4 14623 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [1,1,0,0,0,0|1,0,1]=4 14624 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [1,1,0,0,0,0|1,0,1]=4 14625 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [1,1,0,0,0,0|1,0,1]=4 14626 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [1,1,0,0,0,0|1,0,1]=4 14627 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [1,1,0,0,0,0|1,0,1]=4 14628 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [1,1,0,0,0,0|2,0,0]=4 14629 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [1,1,0,0,0,0|2,0,0]=4 14630 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,1,0,0,0,0|0,0,2]=4 14631 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [1,1,0,0,0,0|1,0,1]=4 14632 B11R0.4 CC=CCOCCC(C)CCC 34a_100011217855_100000070051 [1,1,0,0,0,0|1,0,1]=4 14633 B11R0.4 CC=CCOCCC(C)CCC 7a_100011217855_100000070051 [1,1,0,0,0,0|1,0,1]=4 14634 B11R0.4 CC=CCOCC[C@@H](N)CCC 34a_100015193777_100000070051 [1,1,0,0,0,0|1,0,1]=4 14635 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,1,0,0,0,0|1,0,1]=4 14636 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [1,1,0,0,0,0|1,0,1]=4 14637 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [1,1,0,0,0,0|1,0,1]=4 14638 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [1,1,0,0,0,0|1,0,0]=3 14639 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [1,1,0,0,0,0|1,0,0]=3 14640 B11R0.4 CCCC(C)CCCOCSC 34a_100011713154_100011218213 [1,1,0,0,0,0|2,0,0]=4 14641 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [1,1,0,0,0,0|2,0,0]=4 14642 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [1,1,0,0,0,0|2,0,0]=4 14643 B11R0.4 CCCC(C)CCOCCSC 34a_100011217855_100000212216 [1,1,0,0,0,0|2,0,0]=4 14644 B11R0.4 CCCC(C)CCOCCSC 7a_100011217855_100000212216 [1,1,0,0,0,0|2,0,0]=4 14645 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [1,1,0,0,0,0|2,0,0]=4 14646 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [1,1,0,0,0,0|2,0,0]=4 14647 B11R0.4 CCCC(C)CNCCCSC 2230a_100000749238_100011216630 [1,1,0,0,0,0|2,0,0]=4 14648 B11R0.4 CCCC(C)CNCCCSC 270004a_100000749238_100000243154 [1,1,0,0,0,0|2,0,0]=4 14649 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [1,1,0,0,0,0|1,0,0]=3 14650 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [1,1,0,0,0,0|2,0,0]=4 14651 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [1,1,0,0,0,0|2,0,0]=4 14652 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [1,1,0,0,0,0|2,0,0]=4 14653 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [1,1,0,0,0,0|2,0,0]=4 14654 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [1,1,0,0,0,0|2,0,0]=4 14655 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [1,1,0,0,0,0|2,0,0]=4 14656 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [1,1,0,0,0,0|1,0,0]=3 14657 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [1,1,0,0,0,0|1,0,0]=3 14658 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [1,1,0,0,0,0|2,0,0]=4 14659 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [1,1,0,0,0,0|2,0,0]=4 14660 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [1,1,0,0,0,0|1,0,0]=3 14661 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [1,1,0,0,0,0|2,0,0]=4 14662 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [1,1,0,0,0,0|1,0,0]=3 14663 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [1,1,0,0,0,0|2,0,0]=4 14664 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [1,1,0,0,0,0|2,0,0]=4 14665 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [1,1,0,0,0,0|2,0,0]=4 14666 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [1,1,0,0,0,0|2,0,0]=4 14667 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [1,1,0,0,0,0|2,0,0]=4 14668 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [1,1,0,0,0,0|1,0,0]=3 14669 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [1,1,0,0,0,0|1,0,0]=3 14670 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [1,1,0,0,0,0|2,0,0]=4 14671 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [1,1,0,0,0,0|2,0,0]=4 14672 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,1,0,0,0,0|0,0,2]=4 14673 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,1,0,0,0,0|0,0,2]=4 14674 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,1,0,0,0,0|1,0,1]=4 14675 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [1,1,0,0,0,0|1,0,1]=4 14676 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,1,0,0,0,0|1,0,1]=4 14677 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,1,0,0,0,0|1,0,1]=4 14678 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,1,0,0,0,0|1,0,1]=4 14679 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,1,0,0,0,0|1,0,1]=4 14680 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,1,0,0,0,0|1,0,1]=4 14681 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,1,0,0,0,0|1,0,1]=4 14682 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,1,0,0,0,0|1,0,1]=4 14683 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,1,0,0,0,0|1,0,0]=3 14684 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,1,0,0,0,0|1,0,0]=3 14685 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [1,1,0,0,0,0|1,0,1]=4 14686 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [1,1,0,0,0,0|1,0,1]=4 14687 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [1,1,0,0,0,0|1,0,1]=4 14688 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [1,1,0,0,0,0|1,0,1]=4 14689 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [1,1,0,0,0,0|2,0,0]=4 14690 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [1,1,0,0,0,0|2,0,0]=4 14691 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [1,1,0,0,0,0|2,0,0]=4 14692 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [1,1,0,0,0,0|2,0,0]=4 14693 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [1,1,0,0,0,0|1,0,1]=4 14694 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [1,1,0,0,0,0|1,0,1]=4 14695 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [1,1,0,0,0,0|1,0,1]=4 14696 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [1,1,0,0,0,0|2,0,0]=4 14697 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [1,1,0,0,0,0|2,0,0]=4 14698 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [1,1,0,0,0,0|2,0,0]=4 14699 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [1,1,0,0,0,0|2,0,0]=4 14700 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [1,1,0,0,0,0|1,0,1]=4 14701 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [1,1,0,0,0,0|1,0,1]=4 14702 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [1,1,0,0,0,0|1,0,1]=4 14703 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [1,1,0,0,0,0|1,0,1]=4 14704 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [1,1,0,0,0,0|2,0,0]=4 14705 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [1,1,0,0,0,0|2,0,0]=4 14706 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [1,1,0,0,0,0|2,0,0]=4 14707 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [1,1,0,0,0,0|1,0,1]=4 14708 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [1,1,0,0,0,0|1,0,1]=4 14709 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [1,1,0,0,0,0|2,0,0]=4 14710 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [1,1,0,0,0,0|2,0,0]=4 14711 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [1,1,0,0,0,0|1,0,1]=4 14712 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [1,1,0,0,0,0|1,0,1]=4 14713 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [1,1,0,0,0,0|2,0,0]=4 14714 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [1,1,0,0,0,0|2,0,0]=4 14715 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [1,1,0,0,0,0|1,0,1]=4 14716 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [1,1,0,0,0,0|1,0,1]=4 14717 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [1,1,0,0,0,0|1,0,1]=4 14718 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [1,1,0,0,0,0|1,0,1]=4 14719 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [1,1,0,0,0,0|2,0,0]=4 14720 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [1,1,0,0,0,0|2,0,0]=4 14721 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [1,1,0,0,0,0|2,0,0]=4 14722 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [1,1,0,0,0,0|1,0,1]=4 14723 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [1,1,0,0,0,0|1,0,1]=4 14724 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [1,1,0,0,0,0|1,0,1]=4 14725 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [1,1,0,0,0,0|2,0,0]=4 14726 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [1,1,0,0,0,0|2,0,0]=4 14727 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [1,1,0,0,0,0|1,0,1]=4 14728 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [1,1,0,0,0,0|1,0,1]=4 14729 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [1,1,0,0,0,0|1,0,1]=4 14730 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [1,1,0,0,0,0|1,0,0]=3 14731 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [1,1,0,0,0,0|1,0,0]=3 14732 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [1,1,0,0,0,0|1,0,1]=4 14733 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [1,1,0,0,0,0|1,0,1]=4 14734 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [1,1,0,0,0,0|2,0,0]=4 14735 B11R0.4 CCC[C@H](N)CCOCCSC 34a_100015193777_100000212216 [1,1,0,0,0,0|2,0,0]=4 14736 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [1,1,0,0,0,0|2,0,0]=4 14737 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 14738 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 14739 B11R0.4 COCC(C)SCCCCC=O 62a_100000139335_100000765312 [1,1,0,0,0,0|2,0,0]=4 14740 B11R0.4 COCC(C)SCCCCC=O 62a_100000765312_100000139335 [1,1,0,0,0,0|2,0,0]=4 14741 B11R0.4 COCC(O)CNCCCC=O 2230a_100000756049_200011292268 [1,1,0,0,0,0|2,0,0]=4 14742 B11R0.4 COCC(O)CSCCCC=O 62a_100011215053_200011292268 [1,1,0,0,0,0|2,0,0]=4 14743 B11R0.4 COCC(O)CSCCCC=O 62a_200011292268_100011215053 [1,1,0,0,0,0|2,0,0]=4 14744 B11R0.4 COC[C@@H](C)NCCCCC=O 2230a_100000764878_100000139335 [1,1,0,0,0,0|2,0,0]=4 14745 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [1,1,0,0,0,0|2,0,0]=4 14746 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [1,1,0,0,0,0|0,0,2]=4 14747 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [1,1,0,0,0,0|1,0,1]=4 14748 B11R0.81 C/C=C/CN(C)CCCCCC 269982a_106256046315_100102629194 [1,1,0,0,0,0|1,0,1]=4 14749 B11R0.81 C/C=C/COCC(C)CCCC 34a_100011995851_100102629194 [1,1,0,0,0,0|1,0,1]=4 14750 B11R0.81 C/C=C/COCC(C)CCCC 7a_100011995851_100102629194 [1,1,0,0,0,0|1,0,1]=4 14751 B11R0.81 C/C=C/COC[C@@H](N)CCCC 34a_100011934283_100102629194 [1,1,0,0,0,0|1,0,1]=4 14752 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|0,0,2]=4 14753 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|0,0,2]=4 14754 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [1,1,0,0,0,0|1,0,1]=4 14755 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [1,1,0,0,0,0|1,0,1]=4 14756 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [1,1,0,0,0,0|1,0,1]=4 14757 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [1,1,0,0,0,0|0,0,2]=4 14758 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [1,1,0,0,0,0|0,0,2]=4 14759 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [1,1,0,0,0,0|1,0,1]=4 14760 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [1,1,0,0,0,0|1,0,1]=4 14761 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [1,1,0,0,0,0|1,0,1]=4 14762 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [1,1,0,0,0,0|1,0,1]=4 14763 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [1,1,0,0,0,0|1,0,1]=4 14764 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [1,1,0,0,0,0|1,0,1]=4 14765 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [1,1,0,0,0,0|1,0,1]=4 14766 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [1,1,0,0,0,0|1,0,1]=4 14767 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [1,1,0,0,0,0|1,0,1]=4 14768 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [1,1,0,0,0,0|1,0,1]=4 14769 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [1,1,0,0,0,0|1,0,1]=4 14770 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [1,1,0,0,0,0|1,0,1]=4 14771 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [1,1,0,0,0,0|1,0,1]=4 14772 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [1,1,0,0,0,0|1,0,1]=4 14773 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [1,1,0,0,0,0|1,0,1]=4 14774 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [1,1,0,0,0,0|1,0,1]=4 14775 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [1,1,0,0,0,0|1,0,1]=4 14776 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [1,1,0,0,0,0|1,0,1]=4 14777 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [1,1,0,0,0,0|1,0,1]=4 14778 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [1,1,0,0,0,0|1,0,1]=4 14779 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [1,1,0,0,0,0|1,0,1]=4 14780 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [1,1,0,0,0,0|1,0,1]=4 14781 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [1,1,0,0,0,0|1,0,1]=4 14782 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [1,1,0,0,0,0|1,0,1]=4 14783 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [1,1,0,0,0,0|1,0,1]=4 14784 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [1,1,0,0,0,0|1,0,1]=4 14785 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [1,1,0,0,0,0|1,0,1]=4 14786 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [1,1,0,0,0,0|1,0,1]=4 14787 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [1,1,0,0,0,0|1,0,1]=4 14788 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [1,1,0,0,0,0|1,0,1]=4 14789 B11R0.81 CC(CCCCl)OCCCC=O 7a_200000718107_200011292268 [1,1,0,0,0,0|2,0,0]=4 14790 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [1,1,0,0,0,0|0,0,2]=4 14791 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [1,1,0,0,0,0|0,0,2]=4 14792 B11R0.81 CC=CCN(C)CCCCCC 2230a_106256046315_100000070051 [1,1,0,0,0,0|1,0,1]=4 14793 B11R0.81 CC=CCOCC(C)CCCC 34a_100011995851_100000070051 [1,1,0,0,0,0|1,0,1]=4 14794 B11R0.81 CC=CCOCC(C)CCCC 7a_100011995851_100000070051 [1,1,0,0,0,0|1,0,1]=4 14795 B11R0.81 CC=CCOC[C@@H](N)CCCC 34a_100011934283_100000070051 [1,1,0,0,0,0|1,0,1]=4 14796 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [1,1,0,0,0,0|1,0,1]=4 14797 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|1,0,0]=3 14798 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|1,0,0]=3 14799 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|1,0,0]=3 14800 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|1,0,0]=3 14801 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [1,1,0,0,0,0|2,0,0]=4 14802 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [1,1,0,0,0,0|2,0,0]=4 14803 B11R0.81 CCCCC(C)COCCSC 34a_100011995851_100000212216 [1,1,0,0,0,0|2,0,0]=4 14804 B11R0.81 CCCCC(C)COCCSC 7a_100011995851_100000212216 [1,1,0,0,0,0|2,0,0]=4 14805 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [1,1,0,0,0,0|1,0,0]=3 14806 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [1,1,0,0,0,0|2,0,0]=4 14807 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [1,1,0,0,0,0|2,0,0]=4 14808 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [1,1,0,0,0,0|2,0,0]=4 14809 B11R0.81 CCCCC(C)NCCCSC 2230a_100000749238_200011215066 [1,1,0,0,0,0|2,0,0]=4 14810 B11R0.81 CCCCC(C)NCCCSC 270004a_100000749238_100000210087 [1,1,0,0,0,0|2,0,0]=4 14811 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [1,1,0,0,0,0|1,0,0]=3 14812 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [1,1,0,0,0,0|2,0,0]=4 14813 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [1,1,0,0,0,0|2,0,0]=4 14814 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [1,1,0,0,0,0|2,0,0]=4 14815 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [1,1,0,0,0,0|2,0,0]=4 14816 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [1,1,0,0,0,0|2,0,0]=4 14817 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [1,1,0,0,0,0|2,0,0]=4 14818 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [1,1,0,0,0,0|1,0,0]=3 14819 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [1,1,0,0,0,0|1,0,0]=3 14820 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [1,1,0,0,0,0|2,0,0]=4 14821 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [1,1,0,0,0,0|2,0,0]=4 14822 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,1,0,0,0,0|0,0,2]=4 14823 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,1,0,0,0,0|0,0,2]=4 14824 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|1,0,1]=4 14825 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|1,0,1]=4 14826 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [1,1,0,0,0,0|1,0,1]=4 14827 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [1,1,0,0,0,0|1,0,1]=4 14828 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|1,0,0]=3 14829 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|1,0,0]=3 14830 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|1,0,0]=3 14831 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|1,0,0]=3 14832 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,1,0,0,0,0|1,0,0]=3 14833 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,1,0,0,0,0|1,0,0]=3 14834 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [1,1,0,0,0,0|1,0,1]=4 14835 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [1,1,0,0,0,0|1,0,1]=4 14836 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [1,1,0,0,0,0|1,0,1]=4 14837 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [1,1,0,0,0,0|2,0,0]=4 14838 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [1,1,0,0,0,0|2,0,0]=4 14839 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [1,1,0,0,0,0|2,0,0]=4 14840 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,1,0,0,0,0|1,0,0]=3 14841 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,1,0,0,0,0|1,0,0]=3 14842 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [1,1,0,0,0,0|1,0,1]=4 14843 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [1,1,0,0,0,0|1,0,1]=4 14844 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [1,1,0,0,0,0|1,0,1]=4 14845 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [1,1,0,0,0,0|2,0,0]=4 14846 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,1,0,0,0,0|1,0,0]=3 14847 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,1,0,0,0,0|1,0,0]=3 14848 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [1,1,0,0,0,0|1,0,1]=4 14849 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [1,1,0,0,0,0|1,0,1]=4 14850 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [1,1,0,0,0,0|2,0,0]=4 14851 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [1,1,0,0,0,0|2,0,0]=4 14852 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [1,1,0,0,0,0|2,0,0]=4 14853 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [1,1,0,0,0,0|2,0,0]=4 14854 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [1,1,0,0,0,0|1,0,1]=4 14855 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [1,1,0,0,0,0|1,0,1]=4 14856 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [1,1,0,0,0,0|1,0,1]=4 14857 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [1,1,0,0,0,0|1,0,1]=4 14858 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [1,1,0,0,0,0|1,0,1]=4 14859 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [1,1,0,0,0,0|1,0,1]=4 14860 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [1,1,0,0,0,0|2,0,0]=4 14861 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [1,1,0,0,0,0|2,0,0]=4 14862 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [1,1,0,0,0,0|2,0,0]=4 14863 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [1,1,0,0,0,0|2,0,0]=4 14864 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [1,1,0,0,0,0|2,0,0]=4 14865 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [1,1,0,0,0,0|2,0,0]=4 14866 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [1,1,0,0,0,0|2,0,0]=4 14867 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [1,1,0,0,0,0|2,0,0]=4 14868 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [1,1,0,0,0,0|1,0,1]=4 14869 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [1,1,0,0,0,0|1,0,1]=4 14870 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [1,1,0,0,0,0|1,0,1]=4 14871 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [1,1,0,0,0,0|1,0,1]=4 14872 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [1,1,0,0,0,0|1,0,1]=4 14873 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [1,1,0,0,0,0|2,0,0]=4 14874 B11R0.81 CCCCCNC(C)CCSC 270004a_100000209983_100011217047 [1,1,0,0,0,0|2,0,0]=4 14875 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [1,1,0,0,0,0|1,0,1]=4 14876 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [1,1,0,0,0,0|1,0,1]=4 14877 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [1,1,0,0,0,0|1,0,1]=4 14878 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [1,1,0,0,0,0|1,0,1]=4 14879 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [1,1,0,0,0,0|1,0,1]=4 14880 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [1,1,0,0,0,0|1,0,1]=4 14881 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [1,1,0,0,0,0|1,0,0]=3 14882 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [1,1,0,0,0,0|1,0,0]=3 14883 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [1,1,0,0,0,0|2,0,0]=4 14884 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [1,1,0,0,0,0|2,0,0]=4 14885 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [1,1,0,0,0,0|1,0,1]=4 14886 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [1,1,0,0,0,0|1,0,1]=4 14887 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [1,1,0,0,0,0|2,0,0]=4 14888 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [1,1,0,0,0,0|2,0,0]=4 14889 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [1,1,0,0,0,0|1,0,1]=4 14890 B11R0.81 CCCCOC[C@@H](N)CCSC 34a_100011827619_100000210210 [1,1,0,0,0,0|2,0,0]=4 14891 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [1,1,0,0,0,0|2,0,0]=4 14892 B11R0.81 CCCC[C@H](N)COCCSC 34a_100011934283_100000212216 [1,1,0,0,0,0|2,0,0]=4 14893 B11R0.81 CCOCC(C)OCCCC=O 7a_100000718985_200011292268 [1,1,0,0,0,0|2,0,0]=4 14894 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 14895 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 14896 B11R0.81 COCCN(C)CCCCC=O 2230a_100000743101_100000139335 [1,1,0,0,0,0|2,0,0]=4 14897 B11R0.81 COCCN(C)CCCCC=O 269982a_100000743101_100000139335 [1,1,0,0,0,0|2,0,0]=4 14898 B11R0.81 CSCCN(C)CCCCC=O 2230a_100000686725_100000139335 [1,1,0,0,0,0|2,0,0]=4 14899 B11R0.81 CSCCN(C)CCCCC=O 269982a_100000686725_100000139335 [1,1,0,0,0,0|2,0,0]=4 14900 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [1,1,0,0,0,0|1,0,1]=4 14901 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [1,1,0,0,0,0|1,0,1]=4 14902 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [1,1,0,0,0,0|1,0,1]=4 14903 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [1,1,0,0,0,0|1,0,1]=4 14904 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [1,1,0,0,0,0|1,0,1]=4 14905 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,1,0,0,0,0|0,0,2]=4 14906 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,1,0,0,0,0|0,0,2]=4 14907 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [1,1,0,0,0,0|1,0,1]=4 14908 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [1,1,0,0,0,0|1,0,1]=4 14909 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [1,1,0,0,0,0|1,0,1]=4 14910 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [1,1,0,0,0,0|1,0,1]=4 14911 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [1,1,0,0,0,0|1,0,1]=4 14912 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [1,1,0,0,0,0|1,0,1]=4 14913 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [1,1,0,0,0,0|1,0,1]=4 14914 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [1,1,0,0,0,0|1,0,1]=4 14915 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [1,1,0,0,0,0|1,0,1]=4 14916 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [1,1,0,0,0,0|1,0,1]=4 14917 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [1,1,0,0,0,0|1,0,1]=4 14918 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [1,1,0,0,0,0|1,0,1]=4 14919 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [1,1,0,0,0,0|1,0,1]=4 14920 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [1,1,0,0,0,0|1,0,1]=4 14921 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [1,1,0,0,0,0|1,0,1]=4 14922 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [1,1,0,0,0,0|0,0,2]=4 14923 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [1,1,0,0,0,0|1,0,1]=4 14924 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [1,1,0,0,0,0|1,0,1]=4 14925 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [1,1,0,0,0,0|1,0,1]=4 14926 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [1,1,0,0,0,0|1,0,1]=4 14927 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [1,1,0,0,0,0|1,0,1]=4 14928 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [1,1,0,0,0,0|1,0,1]=4 14929 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [1,1,0,0,0,0|1,0,1]=4 14930 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [1,1,0,0,0,0|1,0,1]=4 14931 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [1,1,0,0,0,0|1,0,1]=4 14932 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [1,1,0,0,0,0|2,0,0]=4 14933 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [1,1,0,0,0,0|2,0,0]=4 14934 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [1,1,0,0,0,0|2,0,0]=4 14935 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [1,1,0,0,0,0|2,0,0]=4 14936 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [1,1,0,0,0,0|2,0,0]=4 14937 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [1,1,0,0,0,0|2,0,0]=4 14938 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [1,1,0,0,0,0|1,0,1]=4 14939 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [1,1,0,0,0,0|1,0,1]=4 14940 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [1,1,0,0,0,0|1,0,1]=4 14941 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [1,1,0,0,0,0|1,0,1]=4 14942 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [1,1,0,0,0,0|2,0,0]=4 14943 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [1,1,0,0,0,0|2,0,0]=4 14944 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [1,1,0,0,0,0|2,0,0]=4 14945 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [1,1,0,0,0,0|2,0,0]=4 14946 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [1,1,0,0,0,0|2,0,0]=4 14947 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [1,1,0,0,0,0|2,0,0]=4 14948 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [1,1,0,0,0,0|2,0,0]=4 14949 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [1,1,0,0,0,0|1,0,1]=4 14950 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [1,1,0,0,0,0|1,0,1]=4 14951 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [1,1,0,0,0,0|2,0,0]=4 14952 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [1,1,0,0,0,0|2,0,0]=4 14953 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [1,1,0,0,0,0|2,0,0]=4 14954 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [1,1,0,0,0,0|2,0,0]=4 14955 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [1,1,0,0,0,0|1,0,0]=3 14956 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [1,1,0,0,0,0|1,0,0]=3 14957 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [1,1,0,0,0,0|1,0,1]=4 14958 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [1,1,0,0,0,0|1,0,1]=4 14959 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [1,1,0,0,0,0|1,0,1]=4 14960 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [1,1,0,0,0,0|1,0,1]=4 14961 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [1,1,0,0,0,0|2,0,0]=4 14962 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [1,1,0,0,0,0|2,0,0]=4 14963 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [1,1,0,0,0,0|2,0,0]=4 14964 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [1,1,0,0,0,0|2,0,0]=4 14965 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [1,1,0,0,0,0|1,0,1]=4 14966 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [1,1,0,0,0,0|1,0,1]=4 14967 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [1,1,0,0,0,0|2,0,0]=4 14968 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [1,1,0,0,0,0|2,0,0]=4 14969 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [1,1,0,0,0,0|2,0,0]=4 14970 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 14971 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 14972 B11R0.140 COCCCN(C)CCCC=O 2230a_100000224831_200011292268 [1,1,0,0,0,0|2,0,0]=4 14973 B11R0.140 COCCCN(C)CCCC=O 269982a_100000224831_200011292268 [1,1,0,0,0,0|2,0,0]=4 14974 B11R0.140 NCCCC[C@H](N)COCC=O 34a_100016993712_200009817547 [1,1,0,0,0,0|2,0,0]=4 14975 B13R0.62 C=C(C)CN(CC)CCCCCCC 2230a_100000211296_100000210681 [0,2,0,0,0,0|2,0,0]=4 14976 B13R0.62 C=C(C)CN(CC)CCCCCCC 2230a_100000228213_100000748629 [0,2,0,0,0,0|2,0,0]=4 14977 B13R0.62 C=C(C)CN(CC)CCCCCCC 269982a_100000211296_100000210681 [0,2,0,0,0,0|2,0,0]=4 14978 B13R0.62 C=C(C)CN(CC)CCCCCCC 269982a_100000228213_100000748629 [0,2,0,0,0,0|2,0,0]=4 14979 B13R0.62 CCCCCCCC(CC(C)C)NC 270004a_106832991635_100011217263 [0,2,0,0,0,0|1,0,1]=4 14980 B13R0.62 CCCCCCCN(CC)CC(=O)N 2230a_100000228213_100000747473 [0,2,0,0,0,0|2,0,0]=4 14981 B13R0.62 CCCCCCCN(CC)CC(=O)N 269982a_100000228213_100000187820 [0,2,0,0,0,0|2,0,0]=4 14982 B13R0.62 CCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210614 [0,2,0,0,0,0|2,0,0]=4 14983 B13R0.62 CCCCCCCN(CC)CC(=O)[O-] 269982a_100000228213_100020667443 [0,2,0,0,0,0|2,0,0]=4 14984 B13R0.62 CCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210614 [0,2,0,0,0,0|2,0,0]=4 14985 B13R0.62 CCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210757 [0,2,0,0,0,0|2,0,0]=4 14986 B13R0.62 CCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210757 [0,2,0,0,0,0|2,0,0]=4 14987 B13R0.115 C=C(C)CC(=O)CCC(C)CCCC 1458a_100000033779_100000748629 [0,2,0,0,0,0|1,0,1]=4 14988 B13R0.115 CCCCC(C)CCC(=O)CC(=O)N 1458a_100000033779_100000187820 [0,2,0,0,0,0|1,0,1]=4 14989 B13R0.115 CCCCC(C)CCC(=O)CC(=O)[O-] 1458a_100000033779_100020667443 [0,2,0,0,0,0|1,0,1]=4 14990 B13R0.115 CCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011215066 [0,2,0,0,0,0|2,0,0]=4 14991 B13R0.178 C=C(C)CC(=O)CCCCCC(C)C 1458a_100000766313_100000748629 [0,2,0,0,0,0|1,0,1]=4 14992 B13R0.178 C=C(C)CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000730704 [0,2,0,0,0,0|2,0,0]=4 14993 B13R0.178 C=C(C)CN(C)CCCCCC(C)C 2230a_100000225649_100000210682 [0,2,0,0,0,0|2,0,0]=4 14994 B13R0.178 C=C(C)CN(C)CCCCCC(C)C 269982a_100000225649_100000210682 [0,2,0,0,0,0|2,0,0]=4 14995 B13R0.178 CC(=O)CCCCCC(=O)OC(C)C 1458a_100000070787_200010986244 [0,2,0,0,0,0|1,0,1]=4 14996 B13R0.178 CC(=O)CCCCOC(C)CC(C)C 34a_100000211805_100009817362 [0,2,0,0,0,0|1,0,0]=3 14997 B13R0.178 CC(=O)CCCCOC(C)CC(C)C 7a_100000211805_100000735457 [0,2,0,0,0,0|1,0,0]=3 14998 B13R0.178 CC(=O)CCCCSC(C)CC(C)C 62a_100000731052_100000735457 [0,2,0,0,0,0|1,0,0]=3 14999 B13R0.178 CC(=O)CCCCSC(C)CC(C)C 62a_100000735457_100000731052 [0,2,0,0,0,0|1,0,0]=3 15000 B13R0.178 CC(=O)CCCCSC(C)CN(C)C 62a_100000735457_100020606517 [0,2,0,0,0,0|2,0,0]=4 15001 B13R0.178 CC(=O)CCCCSC(C)CN(C)C 62a_100020606517_100000735457 [0,2,0,0,0,0|2,0,0]=4 15002 B13R0.178 CC(=O)CCCOCC(C)CN(C)C 7a_100000759063_100015348159 [0,2,0,0,0,0|2,0,0]=4 15003 B13R0.178 CC(=O)CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000685027 [0,2,0,0,0,0|1,0,0]=3 15004 B13R0.178 CC(=O)CCCSCC(C)CN(C)C 62a_100011215641_100015348159 [0,2,0,0,0,0|2,0,0]=4 15005 B13R0.178 CC(=O)CCCSCC(C)CN(C)C 62a_100015348159_100011215641 [0,2,0,0,0,0|2,0,0]=4 15006 B13R0.178 CC(=O)NCCCNC(C)CC(C)C 34a_100000736810_100000731052 [0,2,0,0,0,0|2,0,0]=4 15007 B13R0.178 CC(=O)NCCCOC(C)CC(C)C 34a_100000752032_100000731052 [0,2,0,0,0,0|2,0,0]=4 15008 B13R0.178 CC(=O)OC(C)SCCCCC(C)C 62a_100009818208_100011216152 [0,2,0,0,0,0|2,0,0]=4 15009 B13R0.178 CC(=O)OC(C)SCCCCC(C)C 62a_100011216152_100009818208 [0,2,0,0,0,0|2,0,0]=4 15010 B13R0.178 CC(=O)OCCCCC(=O)CC(C)C 1458a_100000210554_100000033659 [0,2,0,0,0,0|1,0,1]=4 15011 B13R0.178 CC(=O)OCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000033659 [0,2,0,0,0,0|1,0,1]=4 15012 B13R0.178 CC(=O)OCCCCN(C)CC(C)C 269982a_100000747067_100000033659 [0,2,0,0,0,0|2,0,0]=4 15013 B13R0.178 CC(=O)OCCCCN(C)CC(C)O 269982a_100000227577_100000033659 [0,2,0,0,0,0|2,0,0]=4 15014 B13R0.178 CC(=O)OCCCOC(C)CC(C)C 34a_100000211805_100000042594 [0,2,0,0,0,0|2,0,0]=4 15015 B13R0.178 CC(=O)OCCCOC(C)CC(C)C 7a_100000211805_100000042594 [0,2,0,0,0,0|2,0,0]=4 15016 B13R0.178 CC(=O)OCCCSC(C)CC(C)C 62a_100000042594_100000731052 [0,2,0,0,0,0|2,0,0]=4 15017 B13R0.178 CC(=O)OCCCSC(C)CC(C)C 62a_100000731052_100000042594 [0,2,0,0,0,0|2,0,0]=4 15018 B13R0.178 CC(=O)OCCOC[C@@H](N)CC(C)C 34a_100011830311_100009814007 [0,2,0,0,0,0|2,0,0]=4 15019 B13R0.178 CC(=O)OCOCC[C@@H](N)CC(C)C 34a_100161151251_100009813279 [0,2,0,0,0,0|2,0,0]=4 15020 B13R0.178 CC(=O)SCCCCC(=O)CC(C)C 1458a_100000210554_200010402107 [0,2,0,0,0,0|1,0,1]=4 15021 B13R0.178 CC(=O)SCCCCC(=O)C[C@@H](C)O 1458a_100011933948_200010402107 [0,2,0,0,0,0|1,0,1]=4 15022 B13R0.178 CC(=O)SCCCCN(C)CC(C)C 2230a_100000747067_200010402107 [0,2,0,0,0,0|2,0,0]=4 15023 B13R0.178 CC(=O)SCCCCN(C)CC(C)C 269982a_100000747067_200010402107 [0,2,0,0,0,0|2,0,0]=4 15024 B13R0.178 CC(=O)SCCCCN(C)CC(C)O 2230a_100000227577_200010402107 [0,2,0,0,0,0|2,0,0]=4 15025 B13R0.178 CC(=O)SCCCCN(C)CC(C)O 269982a_100000227577_200010402107 [0,2,0,0,0,0|2,0,0]=4 15026 B13R0.178 CC(=O)SCCCNC(C)CC(C)C 2230a_100000692259_100000038929 [0,2,0,0,0,0|2,0,0]=4 15027 B13R0.178 CC(=O)SCCCOC(C)CC(C)C 34a_100000211805_100000038929 [0,2,0,0,0,0|2,0,0]=4 15028 B13R0.178 CC(=O)SCCCOC(C)CC(C)C 7a_100000211805_100000038929 [0,2,0,0,0,0|2,0,0]=4 15029 B13R0.178 CC(=O)SCCCSC(C)CC(C)C 62a_100000038929_100000731052 [0,2,0,0,0,0|2,0,0]=4 15030 B13R0.178 CC(=O)SCCCSC(C)CC(C)C 62a_100000731052_100000038929 [0,2,0,0,0,0|2,0,0]=4 15031 B13R0.178 CC(C)CC(=O)CCCCCC(=O)N 1458a_100000210554_100009817443 [0,2,0,0,0,0|1,0,1]=4 15032 B13R0.178 CC(C)CC(C)NCCCCC(=O)N 34a_100000696515_100000731052 [0,2,0,0,0,0|2,0,0]=4 15033 B13R0.178 CC(C)CC(C)OCCCCC(=O)N 34a_100012022536_100000731052 [0,2,0,0,0,0|2,0,0]=4 15034 B13R0.178 CC(C)CC(C)OCCCCC(=O)N 7a_100012022536_100000731052 [0,2,0,0,0,0|2,0,0]=4 15035 B13R0.178 CC(C)CCCCCC(=O)CC(=O)N 1458a_100000766313_100000187820 [0,2,0,0,0,0|1,0,1]=4 15036 B13R0.178 CC(C)CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210682 [0,2,0,0,0,0|1,0,1]=4 15037 B13R0.178 CC(C)CCCCCC(=O)CC(=O)[O-] 1458a_100000766313_100020667443 [0,2,0,0,0,0|1,0,1]=4 15038 B13R0.178 CC(C)CCCCCN(C)CC(=O)N 2230a_100000739694_100000210682 [0,2,0,0,0,0|2,0,0]=4 15039 B13R0.178 CC(C)CCCCCN(C)CC(=O)O 269956a_100000746989_100000210682 [0,2,0,0,0,0|2,0,0]=4 15040 B13R0.178 CC(C)CCCNCC(O)CC(=O)O 269956a_100011218706_100011214892 [0,2,0,0,0,0|2,0,0]=4 15041 B13R0.178 CC(C)CN(C)CCCCCC(=O)N 2230a_100000747067_100009817443 [0,2,0,0,0,0|2,0,0]=4 15042 B13R0.178 CC(C)CN(C)CCCCCC(=O)N 269982a_100000747067_100009817443 [0,2,0,0,0,0|2,0,0]=4 15043 B13R0.178 CC(C)C[C@H](N)CCOCCC(=O)N 34a_100161151251_100000731001 [0,2,0,0,0,0|2,0,0]=4 15044 B13R0.178 CC(C)C[C@H](N)COCCCC(=O)N 34a_100011830311_100102525003 [0,2,0,0,0,0|2,0,0]=4 15045 B13R0.178 CC(O)CCCNCC(O)CC(=O)O 269956a_100011218706_200000718107 [0,2,0,0,0,0|2,0,0]=4 15046 B13R0.178 CC(O)CN(C)CCCCCC(=O)N 2230a_100000227577_100009817443 [0,2,0,0,0,0|2,0,0]=4 15047 B13R0.178 CC(O)CN(C)CCCCCC(=O)N 269982a_100000227577_100009817443 [0,2,0,0,0,0|2,0,0]=4 15048 B13R0.178 C[C@@H](O)CC(=O)CCCCCC(=O)N 1458a_100011933948_100009817443 [0,2,0,0,0,0|1,0,1]=4 15049 B13R0.274 CCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747405 [0,2,0,0,0,0|1,0,1]=4 15050 B13R0.274 CCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747405 [0,2,0,0,0,0|1,0,1]=4 15051 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [0,2,0,0,0,0|0,0,1]=3 15052 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [0,2,0,0,0,0|0,0,1]=3 15053 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [0,2,0,0,0,0|0,0,1]=3 15054 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [0,2,0,0,0,0|0,0,1]=3 15055 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,2,0,0,0,0|0,0,0]=2 15056 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,2,0,0,0,0|0,0,0]=2 15057 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [0,2,0,0,0,0|0,0,0]=2 15058 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [0,2,0,0,0,0|0,0,0]=2 15059 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [0,2,0,0,0,0|1,0,0]=3 15060 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210681 [0,2,0,0,0,0|1,0,0]=3 15061 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000228206_100000183359 [0,2,0,0,0,0|1,0,0]=3 15062 B13R0.274 CCCCCCCN(C)CC(=O)NC 269982a_100000228206_100000183359 [0,2,0,0,0,0|1,0,0]=3 15063 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,2,0,0,0,0|1,0,0]=3 15064 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,2,0,0,0,0|1,0,0]=3 15065 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,2,0,0,0,0|1,0,0]=3 15066 B13R0.274 CCCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230325 [0,2,0,0,0,0|1,0,1]=4 15067 B13R0.274 CCCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230325 [0,2,0,0,0,0|1,0,1]=4 15068 B13R0.274 CCCCCCNC(=O)CC(=O)OC 240690a_100000210581_100000211351 [0,2,0,0,0,0|1,0,1]=4 15069 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,2,0,0,0,0|1,0,0]=3 15070 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,2,0,0,0,0|1,0,0]=3 15071 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,2,0,0,0,0|1,0,0]=3 15072 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,2,0,0,0,0|1,0,0]=3 15073 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,2,0,0,0,0|1,0,0]=3 15074 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [0,2,0,0,0,0|1,0,0]=3 15075 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [0,2,0,0,0,0|1,0,0]=3 15076 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210326_100000210525 [0,2,0,0,0,0|1,0,1]=4 15077 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210326 [0,2,0,0,0,0|1,0,1]=4 15078 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [0,2,0,0,0,0|1,0,0]=3 15079 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [0,2,0,0,0,0|1,0,0]=3 15080 B13R0.274 CCCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000743108 [0,2,0,0,0,0|1,0,1]=4 15081 B13R0.274 CCCCOCCN(C)CC(=O)NC 2230a_100000189611_100000743108 [0,2,0,0,0,0|2,0,0]=4 15082 B13R0.274 CCCCOCCN(C)CC(=O)OC 2230a_100000198492_100000743108 [0,2,0,0,0,0|2,0,0]=4 15083 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100009817358_100011995733 [0,2,0,0,0,0|2,0,0]=4 15084 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100011995733_100009817358 [0,2,0,0,0,0|2,0,0]=4 15085 B13R0.274 CCCOCCNC(C)CC(=O)OC 2230a_100161115042_100009817358 [0,2,0,0,0,0|2,0,0]=4 15086 B13R0.274 CCCOCCNC(C)CC(=O)OC 34a_100161115042_100009817358 [0,2,0,0,0,0|2,0,0]=4 15087 B13R0.274 CCCOCCOC(C)CC(=O)OC 34a_100000752267_100009817358 [0,2,0,0,0,0|2,0,0]=4 15088 B13R0.274 CCCOCCOC(C)CC(=O)OC 7a_100000752267_100009817358 [0,2,0,0,0,0|2,0,0]=4 15089 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100009817358_100011215938 [0,2,0,0,0,0|2,0,0]=4 15090 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100011215938_100009817358 [0,2,0,0,0,0|2,0,0]=4 15091 B13R0.274 CCCSCCNC(C)CC(=O)OC 2230a_100020603323_100009817358 [0,2,0,0,0,0|2,0,0]=4 15092 B13R0.274 CCCSCCOC(C)CC(=O)OC 34a_200000230433_100009817358 [0,2,0,0,0,0|2,0,0]=4 15093 B13R0.274 CCCSCCOC(C)CC(=O)OC 7a_200000230433_100009817358 [0,2,0,0,0,0|2,0,0]=4 15094 B13R0.274 CCOCCCNC(C)CC(=O)OC 2230a_100000210961_100009817358 [0,2,0,0,0,0|2,0,0]=4 15095 B13R0.274 CCOCCCNC(C)CC(=O)OC 34a_100000210961_100009817358 [0,2,0,0,0,0|2,0,0]=4 15096 B13R0.274 CCOCCCOC(C)CC(=O)OC 34a_100000757476_100009817358 [0,2,0,0,0,0|2,0,0]=4 15097 B13R0.274 CCOCCCOC(C)CC(=O)OC 7a_100000757476_100009817358 [0,2,0,0,0,0|2,0,0]=4 15098 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100009817358_100012232248 [0,2,0,0,0,0|2,0,0]=4 15099 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100012232248_100009817358 [0,2,0,0,0,0|2,0,0]=4 15100 B13R0.274 CCOCCNC[C@H](O)CC(=O)OC 34a_102516460346_100000754131 [0,2,0,0,0,0|2,0,0]=4 15101 B13R0.274 CCOCCOC[C@H](O)CC(=O)OC 34a_100000210136_100000754131 [0,2,0,0,0,0|2,0,0]=4 15102 B13R0.274 CCOCCOC[C@H](O)CC(=O)OC 7a_100000210136_100000754131 [0,2,0,0,0,0|2,0,0]=4 15103 B13R0.274 CCOCCSC[C@H](O)CC(=O)OC 62a_100000210147_100000754131 [0,2,0,0,0,0|2,0,0]=4 15104 B13R0.274 CCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215890 [0,2,0,0,0,0|2,0,0]=4 15105 B13R0.274 CCSCCCOC(C)CC(=O)OC 34a_100011216438_100009817358 [0,2,0,0,0,0|2,0,0]=4 15106 B13R0.274 CCSCCCOC(C)CC(=O)OC 7a_100011216438_100009817358 [0,2,0,0,0,0|2,0,0]=4 15107 B13R0.274 CCSCCOC[C@H](O)CC(=O)OC 34a_100000212035_100000754131 [0,2,0,0,0,0|2,0,0]=4 15108 B13R0.274 CCSCCOC[C@H](O)CC(=O)OC 7a_100000212035_100000754131 [0,2,0,0,0,0|2,0,0]=4 15109 B13R0.274 CCSCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000757381 [0,2,0,0,0,0|2,0,0]=4 15110 B13R0.274 CCSCCSC[C@H](O)CC(=O)OC 62a_100000757381_100000754131 [0,2,0,0,0,0|2,0,0]=4 15111 B13R0.274 CNC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000183359 [0,2,0,0,0,0|1,0,1]=4 15112 B13R0.274 CNC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000183359 [0,2,0,0,0,0|1,0,1]=4 15113 B13R0.274 CNC(=O)CN(C)CCCCCCF 2230a_100000189611_100015922095 [0,2,0,0,0,0|2,0,0]=4 15114 B13R0.274 CNC(=O)CN(C)CCCCCCO 2230a_100000189611_100000766143 [0,2,0,0,0,0|2,0,0]=4 15115 B13R0.274 CNCCCOC[C@H](O)CC(=O)OC 34a_100000213112_100000754131 [0,2,0,0,0,0|2,0,0]=4 15116 B13R0.274 COC(=O)CC(=O)CCCCCCF 1458a_100000211351_100015922095 [0,2,0,0,0,0|1,0,1]=4 15117 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100000211351_100000766143 [0,2,0,0,0,0|1,0,1]=4 15118 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747449 [0,2,0,0,0,0|1,0,1]=4 15119 B13R0.274 COC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817358 [0,2,0,0,0,0|2,0,0]=4 15120 B13R0.274 COC(=O)CC(C)NCCCCCO 34a_100000762737_100009817358 [0,2,0,0,0,0|2,0,0]=4 15121 B13R0.274 COC(=O)CC(C)OCCCCCBr 34a_100000746331_100009817358 [0,2,0,0,0,0|2,0,0]=4 15122 B13R0.274 COC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817358 [0,2,0,0,0,0|2,0,0]=4 15123 B13R0.274 COC(=O)CC(C)OCCCCCCl 34a_100000746330_100009817358 [0,2,0,0,0,0|2,0,0]=4 15124 B13R0.274 COC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817358 [0,2,0,0,0,0|2,0,0]=4 15125 B13R0.274 COC(=O)CC(C)OCCCCCI 34a_200012148887_100009817358 [0,2,0,0,0,0|2,0,0]=4 15126 B13R0.274 COC(=O)CC(C)OCCCCCI 7a_200012148887_100009817358 [0,2,0,0,0,0|2,0,0]=4 15127 B13R0.274 COC(=O)CC(C)OCCCCCN 34a_100000762737_100009817358 [0,2,0,0,0,0|2,0,0]=4 15128 B13R0.274 COC(=O)CC(C)OCCCCSC 34a_100011217163_100009817358 [0,2,0,0,0,0|2,0,0]=4 15129 B13R0.274 COC(=O)CC(C)OCCCCSC 7a_100011217163_100009817358 [0,2,0,0,0,0|2,0,0]=4 15130 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100000729378_100009817358 [0,2,0,0,0,0|2,0,0]=4 15131 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100009817358_100000729378 [0,2,0,0,0,0|2,0,0]=4 15132 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100000746330_100009817358 [0,2,0,0,0,0|2,0,0]=4 15133 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100009817358_100000746330 [0,2,0,0,0,0|2,0,0]=4 15134 B13R0.274 COC(=O)CN(C)CCCCCCF 2230a_100000198492_100015922095 [0,2,0,0,0,0|2,0,0]=4 15135 B13R0.274 COC(=O)CN(C)CCCCCCO 2230a_100000198492_100000766143 [0,2,0,0,0,0|2,0,0]=4 15136 B13R0.274 COC(=O)C[C@@H](O)CNCCCCO 34a_100000750430_100000754131 [0,2,0,0,0,0|2,0,0]=4 15137 B13R0.274 COC(=O)C[C@@H](O)COCCCCBr 34a_100011216708_100000754131 [0,2,0,0,0,0|2,0,0]=4 15138 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 34a_100000210776_100000754131 [0,2,0,0,0,0|2,0,0]=4 15139 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 7a_100000210776_100000754131 [0,2,0,0,0,0|2,0,0]=4 15140 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 34a_100011995726_100000754131 [0,2,0,0,0,0|2,0,0]=4 15141 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 7a_100011995726_100000754131 [0,2,0,0,0,0|2,0,0]=4 15142 B13R0.274 COC(=O)C[C@@H](O)COCCCCI 34a_200012148704_100000754131 [0,2,0,0,0,0|2,0,0]=4 15143 B13R0.274 COC(=O)C[C@@H](O)COCCCCN 34a_100000750430_100000754131 [0,2,0,0,0,0|2,0,0]=4 15144 B13R0.274 COC(=O)C[C@@H](O)COCCCSC 34a_100000690336_100000754131 [0,2,0,0,0,0|2,0,0]=4 15145 B13R0.274 COC(=O)C[C@@H](O)COCCCSC 7a_100000690336_100000754131 [0,2,0,0,0,0|2,0,0]=4 15146 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000729493_100000754131 [0,2,0,0,0,0|2,0,0]=4 15147 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000754131_100000729493 [0,2,0,0,0,0|2,0,0]=4 15148 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000210776_100000754131 [0,2,0,0,0,0|2,0,0]=4 15149 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000754131_100000210776 [0,2,0,0,0,0|2,0,0]=4 15150 B13R0.274 COCCCCCC(=O)CC(=O)OC 1458a_100011935119_100000747449 [0,2,0,0,0,0|1,0,1]=4 15151 B13R0.274 COCCCCOC(C)CC(=O)OC 34a_100000740925_100009817358 [0,2,0,0,0,0|2,0,0]=4 15152 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100000730899_100009817358 [0,2,0,0,0,0|2,0,0]=4 15153 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100009817358_100000730899 [0,2,0,0,0,0|2,0,0]=4 15154 B13R0.274 COCCCNC[C@H](O)CC(=O)OC 34a_100150723488_100000754131 [0,2,0,0,0,0|2,0,0]=4 15155 B13R0.274 COCCCOC[C@H](O)CC(=O)OC 34a_100000740835_100000754131 [0,2,0,0,0,0|2,0,0]=4 15156 B13R0.274 COCCCSC[C@H](O)CC(=O)OC 62a_100000709357_100000754131 [0,2,0,0,0,0|2,0,0]=4 15157 B13R0.274 COCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000709357 [0,2,0,0,0,0|2,0,0]=4 15158 B13R0.286 CCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210614 [0,2,0,0,0,0|1,0,1]=4 15159 B13R0.332 CCCC(C)CNCC(O)CC(=O)O 269956a_100011218706_100011216630 [0,2,0,0,0,0|2,0,0]=4 15160 B13R0.333 CCCCCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000230335 [0,2,0,0,0,0|1,0,1]=4 15161 B13R0.333 CCCCCC(C)OC(=O)CC(=O)C 1458a_100000070787_200000092394 [0,2,0,0,0,0|1,0,1]=4 15162 B13R0.333 CCCCCC(C)SC(C)OC(=O)C 62a_100009818208_200011218191 [0,2,0,0,0,0|2,0,0]=4 15163 B13R0.333 CCCCCC(C)SC(C)OC(=O)C 62a_200011218191_100009818208 [0,2,0,0,0,0|2,0,0]=4 15164 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,2,0,0,0,0|1,0,0]=3 15165 B13R0.335 C=C(C)CC(=O)CCCCCCCO 1458a_100011219782_100000748629 [0,2,0,0,0,0|1,0,1]=4 15166 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000207567_100000748629 [0,2,0,0,0,0|1,0,0]=3 15167 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000225649_100000210759 [0,2,0,0,0,0|1,0,0]=3 15168 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000207567_100000748629 [0,2,0,0,0,0|1,0,0]=3 15169 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000225649_100000210759 [0,2,0,0,0,0|1,0,0]=3 15170 B13R0.335 C=C(C)CN(C)CCCCCCCO 2230a_100000225649_100000760002 [0,2,0,0,0,0|2,0,0]=4 15171 B13R0.335 C=C(C)CN(C)CCCCCCCO 269982a_100000225649_100000760002 [0,2,0,0,0,0|2,0,0]=4 15172 B13R0.335 C=C(C)CN(C)CCCCCCOC 2230a_100000225649_100011998445 [0,2,0,0,0,0|2,0,0]=4 15173 B13R0.335 C=C(C)CN(C)CCCCCCOC 269982a_100000225649_100011998445 [0,2,0,0,0,0|2,0,0]=4 15174 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [0,2,0,0,0,0|1,0,1]=4 15175 B13R0.335 C=C(F)CN(C)CCCCCCCC 2230a_100000207567_100009893438 [0,2,0,0,0,0|1,0,1]=4 15176 B13R0.335 C=C(F)CN(C)CCCCCCCC 269982a_100000207567_100009893438 [0,2,0,0,0,0|1,0,1]=4 15177 B13R0.335 CC(=O)OC(C)SCCCCCCF 62a_100009818208_100015922095 [0,2,0,0,0,0|2,0,0]=4 15178 B13R0.335 CC(=O)OC(C)SCCCCCCF 62a_100015922095_100009818208 [0,2,0,0,0,0|2,0,0]=4 15179 B13R0.335 CC(=O)OC(C)SCCCCCCO 62a_100000766143_100009818208 [0,2,0,0,0,0|2,0,0]=4 15180 B13R0.335 CC(=O)OC(C)SCCCCCCO 62a_100009818208_100000766143 [0,2,0,0,0,0|2,0,0]=4 15181 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [0,2,0,0,0,0|1,0,1]=4 15182 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [0,2,0,0,0,0|1,0,1]=4 15183 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [0,2,0,0,0,0|1,0,1]=4 15184 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,2,0,0,0,0|1,0,0]=3 15185 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,2,0,0,0,0|1,0,0]=3 15186 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,2,0,0,0,0|1,0,0]=3 15187 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [0,2,0,0,0,0|1,0,1]=4 15188 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [0,2,0,0,0,0|1,0,1]=4 15189 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,2,0,0,0,0|0,0,2]=4 15190 B13R0.335 CCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210759 [0,2,0,0,0,0|2,0,0]=4 15191 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,2,0,0,0,0|0,0,2]=4 15192 B13R0.335 CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210188_100000761209 [0,2,0,0,0,0|2,0,0]=4 15193 B13R0.335 CCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210759 [0,2,0,0,0,0|2,0,0]=4 15194 B13R0.335 CCCCCCCCC(C)CN(C)C 270004a_100102631434_100011995885 [0,2,0,0,0,0|2,0,0]=4 15195 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [0,2,0,0,0,0|1,0,1]=4 15196 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [0,2,0,0,0,0|1,0,1]=4 15197 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [0,2,0,0,0,0|1,0,0]=3 15198 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [0,2,0,0,0,0|1,0,0]=3 15199 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [0,2,0,0,0,0|1,0,0]=3 15200 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,2,0,0,0,0|1,0,0]=3 15201 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [0,2,0,0,0,0|1,0,0]=3 15202 B13R0.335 CCCCCCCCN(C)CC(C)C 2230a_100000207567_100000210760 [0,2,0,0,0,0|1,0,1]=4 15203 B13R0.335 CCCCCCCCN(C)CC(C)C 2230a_100000747067_100000210759 [0,2,0,0,0,0|1,0,1]=4 15204 B13R0.335 CCCCCCCCN(C)CC(C)C 269982a_100000207567_100000210624 [0,2,0,0,0,0|1,0,1]=4 15205 B13R0.335 CCCCCCCCN(C)CC(C)C 269982a_100000747067_100000210759 [0,2,0,0,0,0|1,0,1]=4 15206 B13R0.335 CCCCCCCCN(C)CC(C)C 270004a_100000207567_100000210432 [0,2,0,0,0,0|1,0,1]=4 15207 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000207567_100011218427 [0,2,0,0,0,0|0,0,2]=4 15208 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210759 [0,2,0,0,0,0|0,0,2]=4 15209 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000207567_100011218427 [0,2,0,0,0,0|0,0,2]=4 15210 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210759 [0,2,0,0,0,0|0,0,2]=4 15211 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 2230a_100000207567_100009817552 [0,2,0,0,0,0|0,0,2]=4 15212 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 269982a_100000207567_100009817552 [0,2,0,0,0,0|0,0,2]=4 15213 B13R0.335 CCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000207567_100000761209 [0,2,0,0,0,0|2,0,0]=4 15214 B13R0.335 CCCCCCCNC(=O)CC(=O)N 240690a_100000229938_100134613110 [0,2,0,0,0,0|1,0,1]=4 15215 B13R0.335 CCCCCCCNC(=O)CC(=O)N 527a_100000229938_100134613110 [0,2,0,0,0,0|1,0,1]=4 15216 B13R0.335 CCCCCCCNC(C)CC(C)C 2230a_100000229938_100000731052 [0,2,0,0,0,0|1,0,1]=4 15217 B13R0.335 CCCCCCCNC(C)CC(C)C 2230a_100000692259_100000210681 [0,2,0,0,0,0|1,0,1]=4 15218 B13R0.335 CCCCCCCOC(C)C=C(C)C 34a_100000717055_100000210614 [0,2,0,0,0,0|1,0,1]=4 15219 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000210272_100000731052 [0,2,0,0,0,0|1,0,1]=4 15220 B13R0.335 CCCCCCCOC(C)CC(C)C 34a_100000211805_100000210614 [0,2,0,0,0,0|1,0,1]=4 15221 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000210272_100000731052 [0,2,0,0,0,0|1,0,1]=4 15222 B13R0.335 CCCCCCCOC(C)CC(C)C 7a_100000211805_100000210614 [0,2,0,0,0,0|1,0,1]=4 15223 B13R0.335 CCCCCCCSC(C)CC(C)C 62a_100000210614_100000731052 [0,2,0,0,0,0|1,0,1]=4 15224 B13R0.335 CCCCCCCSC(C)CC(C)C 62a_100000731052_100000210316 [0,2,0,0,0,0|1,0,1]=4 15225 B13R0.335 CCCCCCCSC(C)CN(C)C 62a_100000210614_100020606517 [0,2,0,0,0,0|2,0,0]=4 15226 B13R0.335 CCCCCCCSC(C)CN(C)C 62a_100020606517_100000210316 [0,2,0,0,0,0|2,0,0]=4 15227 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100000210614_100009818208 [0,2,0,0,0,0|1,0,0]=3 15228 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210316 [0,2,0,0,0,0|1,0,0]=3 15229 B13R0.335 CCCCCCNCC(C)CN(C)C 2230a_100000210581_100015348159 [0,2,0,0,0,0|2,0,0]=4 15230 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,2,0,0,0,0|1,0,0]=3 15231 B13R0.335 CCCCCCOCC(=O)NC(=O)C 7a_100000210259_100000183797 [0,2,0,0,0,0|1,0,1]=4 15232 B13R0.335 CCCCCCOCC(C)CN(C)C 7a_100000210259_100015348159 [0,2,0,0,0,0|2,0,0]=4 15233 B13R0.335 CCCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000210314 [0,2,0,0,0,0|1,0,1]=4 15234 B13R0.335 CCCCCCSCC(=O)NC(=O)C 62a_100000210314_100000183797 [0,2,0,0,0,0|1,0,1]=4 15235 B13R0.335 CCCCCCSCC(C)CN(C)C 62a_100000210314_100015348159 [0,2,0,0,0,0|2,0,0]=4 15236 B13R0.335 CCCCCCSCC(C)CN(C)C 62a_100015348159_100000210757 [0,2,0,0,0,0|2,0,0]=4 15237 B13R0.335 CCCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000718602 [0,2,0,0,0,0|1,0,1]=4 15238 B13R0.335 CCCCOCCOC(=O)CC(=O)C 34a_100000210227_100000102702 [0,2,0,0,0,0|1,0,1]=4 15239 B13R0.335 CCCCOCCSC(C)OC(=O)C 62a_100000743108_100009818208 [0,2,0,0,0,0|2,0,0]=4 15240 B13R0.335 CCCCOCCSC(C)OC(=O)C 62a_100009818208_100000743108 [0,2,0,0,0,0|2,0,0]=4 15241 B13R0.335 CCCCOCNCC(O)CC(=O)O 269956a_100011218706_100011995733 [0,2,0,0,0,0|2,0,0]=4 15242 B13R0.335 CCCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210210 [0,2,0,0,0,0|1,0,1]=4 15243 B13R0.335 CCCCSCCOC(=O)CC(=O)C 62a_100000210211_100000102702 [0,2,0,0,0,0|1,0,1]=4 15244 B13R0.335 CCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011215938 [0,2,0,0,0,0|2,0,0]=4 15245 B13R0.335 CCOCCCNCC(O)CC(=O)O 269956a_100011218706_100012232248 [0,2,0,0,0,0|2,0,0]=4 15246 B13R0.335 CN(CCCCCCCO)CC(=O)N 2230a_100000739694_100000760002 [0,2,0,0,0,0|2,0,0]=4 15247 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,2,0,0,0,0|2,0,0]=4 15248 B13R0.335 COCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011998445 [0,2,0,0,0,0|1,0,1]=4 15249 B13R0.335 COCCCCCCN(C)CC(=O)N 2230a_100000739694_100011998445 [0,2,0,0,0,0|2,0,0]=4 15250 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [0,2,0,0,0,0|2,0,0]=4 15251 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [0,2,0,0,0,0|2,0,0]=4 15252 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000187820 [0,2,0,0,0,0|1,0,1]=4 15253 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100134613110_100000760002 [0,2,0,0,0,0|1,0,1]=4 15254 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [0,2,0,0,0,0|2,0,0]=4 15255 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [0,2,0,0,0,0|2,0,0]=4 15256 B13R0.335 O=C([O-])CC(=O)CCCCCCCO 1458a_100011219782_100020667443 [0,2,0,0,0,0|1,0,1]=4 15257 B13R0.337 C=C(C)C(=O)C(C)CCCCCCC 1458a_100000185857_200011218727 [0,2,0,0,0,0|1,0,1]=4 15258 B13R0.337 CC(=O)C(C)C(=O)CCCCCCO 1458a_100011996774_100000179758 [0,2,0,0,0,0|1,0,1]=4 15259 B13R0.337 CCCCCCCC(=O)C(C)C(=O)C 1458a_100000211969_100000179758 [0,2,0,0,0,0|0,0,1]=3 15260 B13R0.337 CCCCCCCC(=O)C(C)C(=O)N 1458a_100000211969_100000702099 [0,2,0,0,0,0|1,0,1]=4 15261 B13R0.337 CCCCCCCC(=O)C(F)C(=O)N 1458a_100000211969_100009813875 [0,2,0,0,0,0|1,0,1]=4 15262 B13R0.337 CCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000211969_100020610796 [0,2,0,0,0,0|1,0,1]=4 15263 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 2230a_100000228206_100009814033 [0,2,0,0,0,0|1,0,0]=3 15264 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 269982a_100000228206_100009814033 [0,2,0,0,0,0|1,0,0]=3 15265 B13R0.337 CCCCCCCN(C)C(C)C(=O)N 2230a_100000228206_100000702099 [0,2,0,0,0,0|2,0,0]=4 15266 B13R0.337 CCCCCCCN(C)C(C)C(=O)N 269982a_100000228206_100000184083 [0,2,0,0,0,0|2,0,0]=4 15267 B13R0.337 CCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210614 [0,2,0,0,0,0|2,0,0]=4 15268 B13R0.337 CCCCCCCN(C)C(F)C(=O)N 2230a_100000228206_100009813875 [0,2,0,0,0,0|2,0,0]=4 15269 B13R0.337 CCCCCCCN(C)C(F)C(=O)N 269982a_100000228206_100009813875 [0,2,0,0,0,0|2,0,0]=4 15270 B13R0.337 CCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210314 [0,2,0,0,0,0|2,0,0]=4 15271 B13R0.337 COCCCCCC(=O)C(C)C(=O)C 1458a_100011935119_100000179758 [0,2,0,0,0,0|1,0,1]=4 15272 B13R0.438 C=C(C)CC(=O)C(O)CCCCCC 1458a_100011215828_100000748629 [0,2,0,0,0,0|1,0,1]=4 15273 B13R0.438 C=C(C)CN(C)C(C)CCCCCC 2230a_100000225649_100011215978 [0,2,0,0,0,0|2,0,0]=4 15274 B13R0.438 C=C(C)CN(C)C(C)CCCCCC 269982a_100000225649_100011215978 [0,2,0,0,0,0|2,0,0]=4 15275 B13R0.438 C=C(C)CN(C)C(C)CCCCCC 270004a_100000225649_100000210826 [0,2,0,0,0,0|2,0,0]=4 15276 B13R0.438 CCCCCCC(=O)C(C)OC(=O)C 1458a_100102632555_100009818208 [0,2,0,0,0,0|1,0,1]=4 15277 B13R0.438 CCCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210757 [0,2,0,0,0,0|1,0,1]=4 15278 B13R0.438 CCCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210757 [0,2,0,0,0,0|1,0,1]=4 15279 B13R0.438 CCCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_100011215978 [0,2,0,0,0,0|1,0,1]=4 15280 B13R0.438 CCCCCCC(C)N(C)CC(=O)N 2230a_100000739694_100011215978 [0,2,0,0,0,0|2,0,0]=4 15281 B13R0.438 CCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210826 [0,2,0,0,0,0|2,0,0]=4 15282 B13R0.438 CCCCCCC(C)N(C)CC(=O)O 269956a_100000746989_100011215978 [0,2,0,0,0,0|2,0,0]=4 15283 B13R0.438 CCCCCCC(O)C(=O)CC(=O)N 1458a_100011215828_100000187820 [0,2,0,0,0,0|1,0,1]=4 15284 B13R0.438 CCCCCCC(O)C(=O)CC(=O)[O-] 1458a_100011215828_100020667443 [0,2,0,0,0,0|1,0,1]=4 15285 B13R0.438 CCCCCCN(C)C(C)OC(=O)C 269982a_106256046315_100009818208 [0,2,0,0,0,0|2,0,0]=4 15286 B13R0.712 CC(=O)CC(C)(C)OCCCCCF 7a_100000210262_100000729378 [0,2,0,0,0,0|2,0,0]=4 15287 B13R0.712 CC(=O)CC(C)(C)OCCCCCO 7a_100000210262_100000746330 [0,2,0,0,0,0|2,0,0]=4 15288 B13R0.712 CCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210314 [0,2,0,0,0,0|2,0,0]=4 15289 B13R0.712 CCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210757 [0,2,0,0,0,0|2,0,0]=4 15290 B13R0.712 CCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210314 [0,2,0,0,0,0|1,0,0]=3 15291 B13R0.712 CCCOCCOC(C)(C)CC(=O)C 7a_100000210262_100011215938 [0,2,0,0,0,0|2,0,0]=4 15292 B13R0.712 CCOCCCOC(C)(C)CC(=O)C 7a_100000210262_100012232248 [0,2,0,0,0,0|2,0,0]=4 15293 B13R0.712 COCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000730899 [0,2,0,0,0,0|2,0,0]=4 15294 B13R0.71 CC(=O)CCCCN(C)CC(O)CO 269982a_100011216503_100000735457 [0,2,0,0,0,0|2,0,0]=4 15295 B13R0.71 CCC(C)CC(=O)CCCCC(=O)C 1458a_100000708755_100000735457 [0,2,0,0,0,0|0,0,1]=3 15296 B13R0.71 CCC(C)CC(=O)CCCNC(=O)C 1458a_100000194741_100000748023 [0,2,0,0,0,0|1,0,1]=4 15297 B13R0.71 CCC(C)CC(=O)CCCOC(=O)C 1458a_100000708755_100000042594 [0,2,0,0,0,0|1,0,1]=4 15298 B13R0.71 CCC(C)CC(=O)CCCSC(=O)C 1458a_100000708755_100000038929 [0,2,0,0,0,0|1,0,1]=4 15299 B13R0.71 CCC(C)CC(C)NCCCS(=O)C 270004a_200000753449_100011710205 [0,2,0,0,0,0|2,0,0]=4 15300 B13R0.71 CCC(C)CC(C)NCCNC(=O)C 2230a_100000763565_100000189650 [0,2,0,0,0,0|2,0,0]=4 15301 B13R0.71 CCC(C)CN(C)CCCCC(=O)C 269982a_100000753921_100000735457 [0,2,0,0,0,0|1,0,0]=3 15302 B13R0.71 CCC(C)CN(C)CCCOC(=O)C 269982a_100000753921_100000042594 [0,2,0,0,0,0|2,0,0]=4 15303 B13R0.71 CCC(C)CN(C)CCCSC(=O)C 2230a_100000753921_100000038929 [0,2,0,0,0,0|2,0,0]=4 15304 B13R0.71 CCC(C)CN(C)CCCSC(=O)C 269982a_100000753921_100000038929 [0,2,0,0,0,0|2,0,0]=4 15305 B13R0.71 CCC(O)CC(=O)CCCCC(=O)C 1458a_100011667805_100000735457 [0,2,0,0,0,0|0,0,1]=3 15306 B13R0.71 CCC(O)CC(=O)CCCNC(=O)C 1458a_100000194741_100011218378 [0,2,0,0,0,0|1,0,1]=4 15307 B13R0.71 CCC(O)CC(=O)CCCOC(=O)C 1458a_100011667805_100000042594 [0,2,0,0,0,0|1,0,1]=4 15308 B13R0.71 CCC(O)CC(=O)CCCSC(=O)C 1458a_100011667805_100000038929 [0,2,0,0,0,0|1,0,1]=4 15309 B13R0.71 CCN(C)CC(=O)CCCCC(=O)C 1458a_100116209913_100000735457 [0,2,0,0,0,0|1,0,1]=4 15310 B13R0.71 CC[C@H](C)CC(=O)CCCNC(=O)C 1458a_100000194741_100009816398 [0,2,0,0,0,0|1,0,1]=4 15311 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [0,2,0,0,0,0|0,0,1]=3 15312 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [0,2,0,0,0,0|0,0,1]=3 15313 B13R0.113 CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210211 [0,2,0,0,0,0|1,0,1]=4 15314 B13R0.113 CCCCC(=O)CCOCC(=O)OC 1458a_100000210183_100000090808 [0,2,0,0,0,0|1,0,1]=4 15315 B13R0.113 CCCCC(=O)NCCCC(=O)NC 11a_100000740002_100000210183 [0,2,0,0,0,0|1,0,1]=4 15316 B13R0.113 CCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210183 [0,2,0,0,0,0|1,0,1]=4 15317 B13R0.113 CCCCC(=O)NCCCC(=O)NC 527a_100000740002_100000210183 [0,2,0,0,0,0|1,0,1]=4 15318 B13R0.113 CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210183 [0,2,0,0,0,0|1,0,1]=4 15319 B13R0.113 CCCCC(C)COCCC(=O)NC 34a_100011995851_100012179268 [0,2,0,0,0,0|1,0,0]=3 15320 B13R0.113 CCCCC(C)COCCC(=O)NC 7a_100011995851_100000737683 [0,2,0,0,0,0|1,0,0]=3 15321 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [0,2,0,0,0,0|1,0,0]=3 15322 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [0,2,0,0,0,0|1,0,0]=3 15323 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000126638_100000741757 [0,2,0,0,0,0|1,0,0]=3 15324 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000740002_200011215066 [0,2,0,0,0,0|1,0,0]=3 15325 B13R0.113 CCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210087 [0,2,0,0,0,0|1,0,0]=3 15326 B13R0.113 CCCCC(C)NCCCC(=O)NC 34a_100000740002_200011215066 [0,2,0,0,0,0|1,0,0]=3 15327 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [0,2,0,0,0,0|1,0,0]=3 15328 B13R0.113 CCCCC(C)NCCNC(=O)CC 270004a_100132302217_100000210087 [0,2,0,0,0,0|2,0,0]=4 15329 B13R0.113 CCCCC(C)NCCNC(=O)CC 34a_100132302217_200011215066 [0,2,0,0,0,0|2,0,0]=4 15330 B13R0.113 CCCCC(C)NCCNC(=O)NC 34a_100015205895_200011215066 [0,2,0,0,0,0|2,0,0]=4 15331 B13R0.113 CCCCC(C)OCCCC(=O)NC 34a_100000687866_100000741757 [0,2,0,0,0,0|1,0,0]=3 15332 B13R0.113 CCCCC(C)OCCCC(=O)NC 7a_100000687866_100000741757 [0,2,0,0,0,0|1,0,0]=3 15333 B13R0.113 CCCCC(C)OCCCC(=O)NN 34a_100000211488_200011215066 [0,2,0,0,0,0|2,0,0]=4 15334 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [0,2,0,0,0,0|1,0,0]=3 15335 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [0,2,0,0,0,0|1,0,0]=3 15336 B13R0.113 CCCCC(C)OCCNC(=O)CC 34a_200000158885_200011215066 [0,2,0,0,0,0|2,0,0]=4 15337 B13R0.113 CCCCC(C)OCCNC(=O)CC 7a_200000158885_200011215066 [0,2,0,0,0,0|2,0,0]=4 15338 B13R0.113 CCCCC(C)OCCNC(=O)OC 34a_100000757965_200011215066 [0,2,0,0,0,0|2,0,0]=4 15339 B13R0.113 CCCCC(C)OCCOC(=O)CC 7a_200000031056_200011215066 [0,2,0,0,0,0|2,0,0]=4 15340 B13R0.113 CCCCC(C)OCCOC(=O)NC 34a_100000687866_200011997002 [0,2,0,0,0,0|2,0,0]=4 15341 B13R0.113 CCCCC(C)OCCOC(=O)NC 7a_100000687866_200011997002 [0,2,0,0,0,0|2,0,0]=4 15342 B13R0.113 CCCCC(C)OCCOC(=O)OC 34a_100010262106_200011215066 [0,2,0,0,0,0|2,0,0]=4 15343 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_100000741757_200011215066 [0,2,0,0,0,0|1,0,0]=3 15344 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_200011215066_100000741757 [0,2,0,0,0,0|1,0,0]=3 15345 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [0,2,0,0,0,0|1,0,0]=3 15346 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [0,2,0,0,0,0|1,0,0]=3 15347 B13R0.113 CCCCC(C)SCCOC(=O)NC 62a_200011215066_200011997002 [0,2,0,0,0,0|2,0,0]=4 15348 B13R0.113 CCCCC(C)SCCOC(=O)NC 62a_200011997002_200011215066 [0,2,0,0,0,0|2,0,0]=4 15349 B13R0.113 CCCCN(C)CCCCC(=O)OC 2230a_100000207549_100000204269 [0,2,0,0,0,0|1,0,0]=3 15350 B13R0.113 CCCCN(C)CCCCC(=O)OC 269982a_100000207549_100000204269 [0,2,0,0,0,0|1,0,0]=3 15351 B13R0.113 CCCCN(C)CCOCC(=O)OC 2230a_100000207549_100000090808 [0,2,0,0,0,0|2,0,0]=4 15352 B13R0.113 CCCC[C@H](N)COCCC(=O)NC 34a_100011934283_100012179268 [0,2,0,0,0,0|1,0,0]=3 15353 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [0,2,0,0,0,0|1,0,0]=3 15354 B13R0.113 CCCNC(=O)CCCCC(=O)OC 11a_100020643023_100000695723 [0,2,0,0,0,0|1,0,1]=4 15355 B13R0.113 CCCNC(=O)CCCCC(=O)OC 1626a_100020643023_100000695723 [0,2,0,0,0,0|1,0,1]=4 15356 B13R0.113 CCCNC(=O)CCCCC(=O)OC 240690a_100020643023_100000695723 [0,2,0,0,0,0|1,0,1]=4 15357 B13R0.113 CCCNC(=O)CCCCC(=O)OC 527a_100020643023_100000695723 [0,2,0,0,0,0|1,0,1]=4 15358 B13R0.113 CCCOC(C)CNCCC(=O)NC 2230a_100015185124_100000737683 [0,2,0,0,0,0|2,0,0]=4 15359 B13R0.113 CCCOC(C)CNCCC(=O)NC 34a_100015185124_100012179268 [0,2,0,0,0,0|2,0,0]=4 15360 B13R0.113 CCCOC(C)CNCCC(=O)OC 2230a_100015185124_100000204255 [0,2,0,0,0,0|2,0,0]=4 15361 B13R0.113 CCCOC(C)CNCCC(=O)OC 34a_100015185124_100000742370 [0,2,0,0,0,0|2,0,0]=4 15362 B13R0.113 CCOCC(=O)CCCCC(=O)OC 1458a_100000211967_100000204269 [0,2,0,0,0,0|1,0,1]=4 15363 B13R0.113 CCOCC(C)OCCCC(=O)NC 34a_100000718985_100000741757 [0,2,0,0,0,0|2,0,0]=4 15364 B13R0.113 CCOCC(C)OCCCC(=O)NC 7a_100000718985_100000741757 [0,2,0,0,0,0|2,0,0]=4 15365 B13R0.113 CCOCC(C)OCCCC(=O)OC 34a_100000718985_100000742333 [0,2,0,0,0,0|2,0,0]=4 15366 B13R0.113 CCOCC(C)OCCCC(=O)OC 7a_100000718985_100011218270 [0,2,0,0,0,0|2,0,0]=4 15367 B13R0.113 CCOCC(O)CNCCC(=O)NC 2230a_102515437182_100000737683 [0,2,0,0,0,0|2,0,0]=4 15368 B13R0.113 CCOCC(O)CNCCC(=O)NC 34a_102515437182_100012179268 [0,2,0,0,0,0|2,0,0]=4 15369 B13R0.113 CCOCC(O)CNCCC(=O)OC 2230a_102515437182_100000204255 [0,2,0,0,0,0|2,0,0]=4 15370 B13R0.113 CCOCC(O)CNCCC(=O)OC 34a_102515437182_100000742370 [0,2,0,0,0,0|2,0,0]=4 15371 B13R0.113 CCSCC(=O)CCCCC(=O)OC 1458a_100000230394_100000204269 [0,2,0,0,0,0|1,0,1]=4 15372 B13R0.113 CCSCC(C)NCCCC(=O)NC 270004a_100000740002_200011216171 [0,2,0,0,0,0|2,0,0]=4 15373 B13R0.113 CNC(=O)CCCNC(C)CCOC 270004a_100000740002_100000742357 [0,2,0,0,0,0|2,0,0]=4 15374 B13R0.113 CNC(=O)CCCNC(C)CCSC 270004a_100000740002_100011217047 [0,2,0,0,0,0|2,0,0]=4 15375 B13R0.113 CNC(=O)CCCOC(C)CCCCl 34a_200000718107_100000741757 [0,2,0,0,0,0|2,0,0]=4 15376 B13R0.113 CNC(=O)CCCOC(C)CCCCl 7a_200000718107_100000741757 [0,2,0,0,0,0|2,0,0]=4 15377 B13R0.113 CNC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000737683 [0,2,0,0,0,0|2,0,0]=4 15378 B13R0.113 CNC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100012179268 [0,2,0,0,0,0|2,0,0]=4 15379 B13R0.113 CNC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100012179268 [0,2,0,0,0,0|2,0,0]=4 15380 B13R0.113 COC(=O)CCCCC(=O)CCCF 1458a_100000695723_100011934791 [0,2,0,0,0,0|1,0,1]=4 15381 B13R0.113 COC(=O)CCCCC(=O)CCCO 1458a_100000695723_100011215043 [0,2,0,0,0,0|1,0,1]=4 15382 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000174002_100000204269 [0,2,0,0,0,0|1,0,1]=4 15383 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000695723_100000751147 [0,2,0,0,0,0|1,0,1]=4 15384 B13R0.113 COC(=O)CCCCN(C)CCCO 2230a_100000213112_100000204269 [0,2,0,0,0,0|2,0,0]=4 15385 B13R0.113 COC(=O)CCCCN(C)CCCO 269982a_100000213112_100000204269 [0,2,0,0,0,0|2,0,0]=4 15386 B13R0.113 COC(=O)CCCCN(C)CCSC 2230a_100000686725_100000204269 [0,2,0,0,0,0|2,0,0]=4 15387 B13R0.113 COC(=O)CCCCN(C)CCSC 269982a_100000686725_100000204269 [0,2,0,0,0,0|2,0,0]=4 15388 B13R0.113 COC(=O)CCCOC(C)CCCCl 34a_200000718107_100000742333 [0,2,0,0,0,0|2,0,0]=4 15389 B13R0.113 COC(=O)CCCOC(C)CCCCl 7a_200000718107_100011218270 [0,2,0,0,0,0|2,0,0]=4 15390 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000204255 [0,2,0,0,0,0|2,0,0]=4 15391 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100000742370 [0,2,0,0,0,0|2,0,0]=4 15392 B13R0.113 COC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100000742370 [0,2,0,0,0,0|2,0,0]=4 15393 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000233755 [0,2,0,0,0,0|1,0,1]=4 15394 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000749529_100000204269 [0,2,0,0,0,0|1,0,1]=4 15395 B13R0.113 COCCN(C)CCCCC(=O)OC 2230a_100000743101_100000204269 [0,2,0,0,0,0|2,0,0]=4 15396 B13R0.113 COCCN(C)CCCCC(=O)OC 269982a_100000743101_100000204269 [0,2,0,0,0,0|2,0,0]=4 15397 B13R0.117 CCCCC(C)COCC(=O)C(=O)C 34a_100011995851_100011261029 [0,2,0,0,0,0|1,0,1]=4 15398 B13R0.117 CCCC[C@H](N)COCC(=O)C(=O)C 34a_100011934283_100011261029 [0,2,0,0,0,0|1,0,1]=4 15399 B13R0.124 CCCCC(C)COCCS(=O)(=O)C 34a_100011995851_100000731031 [0,2,0,0,0,0|2,0,0]=4 15400 B13R0.124 CCCCC(C)COCCS(=O)(=O)C 7a_100011995851_100000230027 [0,2,0,0,0,0|2,0,0]=4 15401 B13R0.124 CCCCC(C)NCCCS(=O)(=O)C 2230a_100000126638_100000754308 [0,2,0,0,0,0|2,0,0]=4 15402 B13R0.124 CCCCC(C)NCCCS(=O)(=O)C 2230a_100000742409_200011215066 [0,2,0,0,0,0|2,0,0]=4 15403 B13R0.124 CCCCC(C)NCCCS(=O)(=O)C 270004a_100000742409_100000210087 [0,2,0,0,0,0|2,0,0]=4 15404 B13R0.124 CCCCC(C)NCCCS(=O)(=O)C 34a_100000742409_200011215066 [0,2,0,0,0,0|2,0,0]=4 15405 B13R0.124 CCCCC(C)OCCCS(=O)(=O)C 34a_100000687866_100000754308 [0,2,0,0,0,0|2,0,0]=4 15406 B13R0.124 CCCCC(C)OCCCS(=O)(=O)C 34a_100000689940_200011215066 [0,2,0,0,0,0|2,0,0]=4 15407 B13R0.124 CCCCC(C)OCCCS(=O)(=O)C 7a_100000687866_100000754308 [0,2,0,0,0,0|2,0,0]=4 15408 B13R0.124 CCCCC(C)OCCCS(=O)(=O)C 7a_100000689940_200011215066 [0,2,0,0,0,0|2,0,0]=4 15409 B13R0.124 CCCCC(C)SCCCS(=O)(=O)C 62a_100000754308_200011215066 [0,2,0,0,0,0|2,0,0]=4 15410 B13R0.124 CCCCC(C)SCCCS(=O)(=O)C 62a_200011215066_100000754308 [0,2,0,0,0,0|2,0,0]=4 15411 B13R0.124 CCCC[C@H](N)COCCS(=O)(=O)C 34a_100011934283_100000731031 [0,2,0,0,0,0|2,0,0]=4 15412 B13R0.172 C=C(C)CCC(C)NC(C)CCCC 270004a_100000126638_100011215600 [0,2,0,0,0,0|2,0,0]=4 15413 B13R0.172 CCCCC(=O)CC(C)CSC(=O)C 1458a_100000210183_200000116872 [0,2,0,0,0,0|1,0,1]=4 15414 B13R0.172 CCCCC(C)NC(C)COC(=O)C 270004a_100000126638_100000000629 [0,2,0,0,0,0|2,0,0]=4 15415 B13R0.172 CCCCN(C)CC(C)CSC(=O)C 2230a_100000207549_200000116872 [0,2,0,0,0,0|2,0,0]=4 15416 B13R0.172 CCCCN(C)CC(C)CSC(=O)C 269982a_100000207549_200000116872 [0,2,0,0,0,0|2,0,0]=4 15417 B13R0.172 CCCCN(C)CC(O)COC(=O)C 269982a_100000207549_200000139349 [0,2,0,0,0,0|2,0,0]=4 15418 B13R0.182 C=C(C)CCC(=O)CCCCC(=O)C 1458a_200000688413_100000735457 [0,2,0,0,0,0|0,0,2]=4 15419 B13R0.182 C=C(C)CCC(=O)CCCCC(C)C 1458a_100011933920_100000730704 [0,2,0,0,0,0|1,0,1]=4 15420 B13R0.182 C=C(C)CCC(=O)CCCCC(C)C 1458a_200000688413_100011216152 [0,2,0,0,0,0|1,0,1]=4 15421 B13R0.182 C=C(C)CCC(C)NCCCC(C)C 270004a_200000737386_100011215600 [0,2,0,0,0,0|2,0,0]=4 15422 B13R0.182 CC(=O)CCCCC(=O)CCC(C)C 1458a_100000181311_100000735457 [0,2,0,0,0,0|0,0,1]=3 15423 B13R0.182 CC(=O)CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000735457 [0,2,0,0,0,0|1,0,1]=4 15424 B13R0.182 CC(=O)CCCCC(=O)COC(C)C 1458a_100000745533_100000735457 [0,2,0,0,0,0|1,0,1]=4 15425 B13R0.182 CC(=O)CCCCC(=O)CSC(C)C 1458a_100000241585_100000735457 [0,2,0,0,0,0|1,0,1]=4 15426 B13R0.182 CC(=O)CCCCN(C)CCC(C)C 269982a_100000742789_100000735457 [0,2,0,0,0,0|1,0,0]=3 15427 B13R0.182 CC(=O)CCCCN(C)CCN(C)C 269982a_100000225618_100000735457 [0,2,0,0,0,0|2,0,0]=4 15428 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 34a_100000759063_100011261404 [0,2,0,0,0,0|1,0,0]=3 15429 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 34a_100011215350_100000685027 [0,2,0,0,0,0|1,0,0]=3 15430 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 7a_100011215350_100011215641 [0,2,0,0,0,0|1,0,0]=3 15431 B13R0.182 CC(=O)CCCSC(C)CCC(C)C 62a_100011215641_100011261404 [0,2,0,0,0,0|1,0,0]=3 15432 B13R0.182 CC(=O)CCCSC(C)CCC(C)C 62a_100011261404_100011215641 [0,2,0,0,0,0|1,0,0]=3 15433 B13R0.182 CC(=O)NCC(=O)CCCCC(C)C 1458a_100000194580_100011216152 [0,2,0,0,0,0|1,0,1]=4 15434 B13R0.182 CC(=O)NCCCC(=O)CCC(C)C 1458a_100000194741_100000210312 [0,2,0,0,0,0|1,0,1]=4 15435 B13R0.182 CC(=O)NCCCC(=O)CCC(C)O 1458a_100000194741_100012276601 [0,2,0,0,0,0|1,0,1]=4 15436 B13R0.182 CC(=O)NCCNC(C)CCC(C)C 2230a_100000209853_100011261404 [0,2,0,0,0,0|2,0,0]=4 15437 B13R0.182 CC(=O)NCCNC(C)CCC(C)C 2230a_100138410893_100000189650 [0,2,0,0,0,0|2,0,0]=4 15438 B13R0.182 CC(=O)NCCOC(C)CCC(C)C 34a_100000158858_100011261404 [0,2,0,0,0,0|2,0,0]=4 15439 B13R0.182 CC(=O)NCCOC(C)CCC(C)C 7a_100011215350_100000189650 [0,2,0,0,0,0|2,0,0]=4 15440 B13R0.182 CC(=O)NCCSC(C)CCC(C)C 62a_100000189650_100011261404 [0,2,0,0,0,0|2,0,0]=4 15441 B13R0.182 CC(=O)NCCSC(C)CCC(C)C 62a_100011261404_100000189650 [0,2,0,0,0,0|2,0,0]=4 15442 B13R0.182 CC(=O)OCC(=O)CCCCC(C)C 1458a_100000183556_100011216152 [0,2,0,0,0,0|1,0,1]=4 15443 B13R0.182 CC(=O)OCC(C)NCCCC(C)C 270004a_200000737386_100000000629 [0,2,0,0,0,0|2,0,0]=4 15444 B13R0.182 CC(=O)OCC(O)COCCC(C)Br 34a_100009893172_200000139349 [0,2,0,0,0,0|2,0,0]=4 15445 B13R0.182 CC(=O)OCC(O)COCCC(C)C 34a_100000210254_200000139349 [0,2,0,0,0,0|2,0,0]=4 15446 B13R0.182 CC(=O)OCC(O)COCCC(C)C 7a_100000210254_200000139349 [0,2,0,0,0,0|2,0,0]=4 15447 B13R0.182 CC(=O)OCC(O)COCC[C@@H](C)N 34a_100000706166_200000139349 [0,2,0,0,0,0|2,0,0]=4 15448 B13R0.182 CC(=O)OCC(O)CSCCC(C)C 62a_100000210312_200000139349 [0,2,0,0,0,0|2,0,0]=4 15449 B13R0.182 CC(=O)OCC(O)CSCCC(C)C 62a_200000139349_100000210312 [0,2,0,0,0,0|2,0,0]=4 15450 B13R0.182 CC(=O)OCC(O)CSCCC(C)O 62a_100012276601_200000139349 [0,2,0,0,0,0|2,0,0]=4 15451 B13R0.182 CC(=O)OCC(O)CSCCC(C)O 62a_200000139349_100012276601 [0,2,0,0,0,0|2,0,0]=4 15452 B13R0.182 CC(=O)OCCCC(=O)CCC(C)C 1458a_100000181311_100000042594 [0,2,0,0,0,0|1,0,1]=4 15453 B13R0.182 CC(=O)OCCCN(C)CCC(C)C 269982a_100000742789_100000042594 [0,2,0,0,0,0|2,0,0]=4 15454 B13R0.182 CC(=O)OCCOC(C)CCC(C)C 34a_100011215350_100009814007 [0,2,0,0,0,0|2,0,0]=4 15455 B13R0.182 CC(=O)OCCOC(C)CCC(C)C 7a_100011215350_100009814007 [0,2,0,0,0,0|2,0,0]=4 15456 B13R0.182 CC(=O)OCCSC(C)CCC(C)C 62a_100009814007_100011261404 [0,2,0,0,0,0|2,0,0]=4 15457 B13R0.182 CC(=O)OCCSC(C)CCC(C)C 62a_100011261404_100009814007 [0,2,0,0,0,0|2,0,0]=4 15458 B13R0.182 CC(=O)SCC(=O)CCCCC(C)C 1458a_100000049016_100011216152 [0,2,0,0,0,0|1,0,1]=4 15459 B13R0.182 CC(=O)SCC(C)CNCCC(C)O 2230a_200000755665_200000116872 [0,2,0,0,0,0|2,0,0]=4 15460 B13R0.182 CC(=O)SCC(C)COCCC(C)Br 34a_100009893172_200000116872 [0,2,0,0,0,0|2,0,0]=4 15461 B13R0.182 CC(=O)SCC(C)COCCC(C)C 34a_100000210254_200000116872 [0,2,0,0,0,0|2,0,0]=4 15462 B13R0.182 CC(=O)SCC(C)COCCC(C)C 7a_100000210254_200000116872 [0,2,0,0,0,0|2,0,0]=4 15463 B13R0.182 CC(=O)SCC(C)COCC[C@@H](C)N 34a_100000706166_200000116872 [0,2,0,0,0,0|2,0,0]=4 15464 B13R0.182 CC(=O)SCC(C)CSCCC(C)C 62a_100000210312_200000116872 [0,2,0,0,0,0|2,0,0]=4 15465 B13R0.182 CC(=O)SCC(C)CSCCC(C)C 62a_200000116872_100000210312 [0,2,0,0,0,0|2,0,0]=4 15466 B13R0.182 CC(=O)SCC(C)CSCCC(C)O 62a_100012276601_200000116872 [0,2,0,0,0,0|2,0,0]=4 15467 B13R0.182 CC(=O)SCC(C)CSCCC(C)O 62a_200000116872_100012276601 [0,2,0,0,0,0|2,0,0]=4 15468 B13R0.182 CC(=O)SCCCC(=O)CCC(C)C 1458a_100000181311_100000038929 [0,2,0,0,0,0|1,0,1]=4 15469 B13R0.182 CC(=O)SCCCN(C)CCC(C)C 2230a_100000742789_100000038929 [0,2,0,0,0,0|2,0,0]=4 15470 B13R0.182 CC(=O)SCCCN(C)CCC(C)C 269982a_100000742789_100000038929 [0,2,0,0,0,0|2,0,0]=4 15471 B13R0.182 CC(C)CCC(C)NCCCC(=O)N 34a_100000739312_100011261404 [0,2,0,0,0,0|2,0,0]=4 15472 B13R0.182 CC(C)CCC(C)NCCCS(=O)C 2230a_200000753449_100011261404 [0,2,0,0,0,0|2,0,0]=4 15473 B13R0.182 CC(C)CCC(C)NCCCS(=O)C 270004a_200000753449_100000210476 [0,2,0,0,0,0|2,0,0]=4 15474 B13R0.182 CC(C)CCC(C)OCCCC(=O)N 34a_100011215350_100102525003 [0,2,0,0,0,0|2,0,0]=4 15475 B13R0.182 CC(C)CCC(C)OCCCC(=O)N 7a_100011215350_100102525003 [0,2,0,0,0,0|2,0,0]=4 15476 B13R0.182 CC(C)CCC(C)SCCCC(=O)N 62a_100011261404_100102525003 [0,2,0,0,0,0|2,0,0]=4 15477 B13R0.182 CC(C)CCC(C)SCCCC(=O)N 62a_100102525003_100011261404 [0,2,0,0,0,0|2,0,0]=4 15478 B13R0.182 CC(C)CCCCC(=O)CCC(=O)N 1458a_100011215257_100011216152 [0,2,0,0,0,0|1,0,1]=4 15479 B13R0.182 CC(C)CCCCN(C)CCC(=O)N 2230a_100000730477_100011216152 [0,2,0,0,0,0|2,0,0]=4 15480 B13R0.188 C#CCCCC(=O)CCCCC(=O)C 1458a_100000690238_100000735457 [0,2,0,0,0,0|0,0,2]=4 15481 B13R0.188 C=C(C)CCOCC(=O)CCCCC 34a_100000764851_200012276598 [0,2,0,0,0,0|1,0,1]=4 15482 B13R0.188 C=C(C)CCOC[C@@H](N)CCCCN 34a_100016993712_100000730704 [0,2,0,0,0,0|2,0,0]=4 15483 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_100000730704_200012276598 [0,2,0,0,0,0|1,0,1]=4 15484 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_200012276598_100000730704 [0,2,0,0,0,0|1,0,1]=4 15485 B13R0.188 C=CCCCC(=O)CCCCC(=O)C 1458a_100000766728_100000735457 [0,2,0,0,0,0|0,0,2]=4 15486 B13R0.188 CC(=O)CCCCC(=O)CCCC#N 1458a_100000075515_100000735457 [0,2,0,0,0,0|0,0,2]=4 15487 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,2,0,0,0,0|0,0,1]=3 15488 B13R0.188 CC(=O)CCCCC(=O)COCCO 1458a_100000708028_100000735457 [0,2,0,0,0,0|1,0,1]=4 15489 B13R0.188 CC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000735457 [0,2,0,0,0,0|1,0,0]=3 15490 B13R0.188 CC(=O)NCCCC(=O)CCCCF 1458a_100000194741_100000729493 [0,2,0,0,0,0|1,0,1]=4 15491 B13R0.188 CC(=O)NCCCC(=O)CCCCO 1458a_100000194741_100000210776 [0,2,0,0,0,0|1,0,1]=4 15492 B13R0.188 CC(=O)OCCCC(=O)CCCCO 1458a_100000695505_100000042594 [0,2,0,0,0,0|1,0,1]=4 15493 B13R0.188 CC(=O)OCCCN(C)CCCCO 269982a_100000717598_100000042594 [0,2,0,0,0,0|2,0,0]=4 15494 B13R0.188 CC(=O)OCOC[C@@H](N)CCCCN 34a_100016993712_100009813279 [0,2,0,0,0,0|2,0,0]=4 15495 B13R0.188 CC(=O)SCCCC(=O)CCCCO 1458a_100000695505_100000038929 [0,2,0,0,0,0|1,0,1]=4 15496 B13R0.188 CC(=O)SCCCN(C)CCCCO 2230a_100000717598_100000038929 [0,2,0,0,0,0|2,0,0]=4 15497 B13R0.188 CC(=O)SCCCN(C)CCCCO 269982a_100000717598_100000038929 [0,2,0,0,0,0|2,0,0]=4 15498 B13R0.188 CC/C=C/CC(=O)CCCCC(=O)C 1458a_100016274230_100000735457 [0,2,0,0,0,0|0,0,2]=4 15499 B13R0.188 CCC#CCC(C)OCCCC(=O)C 34a_200000035118_100000685027 [0,2,0,0,0,0|0,0,2]=4 15500 B13R0.188 CCC#CCC(C)OCCCC(=O)C 7a_200000035118_100011215641 [0,2,0,0,0,0|0,0,2]=4 15501 B13R0.188 CCCC#CC(=O)CCCCC(=O)C 1458a_200011218047_100000735457 [0,2,0,0,0,0|0,0,2]=4 15502 B13R0.188 CCCC=CC(=O)CCCCC(=O)C 1458a_100000212230_100000735457 [0,2,0,0,0,0|0,0,2]=4 15503 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,2,0,0,0,0|0,0,0]=2 15504 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100000212188_100011216152 [0,2,0,0,0,0|1,0,1]=4 15505 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210326 [0,2,0,0,0,0|1,0,1]=4 15506 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,2,0,0,0,0|0,0,1]=3 15507 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,2,0,0,0,0|0,0,1]=3 15508 B13R0.188 CCCCCC(=O)CCCOC(=S)C 1458a_100000212188_200135323944 [0,2,0,0,0,0|0,1,1]=4 15509 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,2,0,0,0,0|0,0,1]=3 15510 B13R0.188 CCCCCC(=O)CCOCC(=O)N 1458a_100000212188_100000076697 [0,2,0,0,0,0|1,0,1]=4 15511 B13R0.188 CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210326 [0,2,0,0,0,0|1,0,1]=4 15512 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,2,0,0,0,0|0,0,1]=3 15513 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,2,0,0,0,0|0,0,1]=3 15514 B13R0.188 CCCCCC(=O)COCCC(=O)N 34a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 15515 B13R0.188 CCCCCC(=O)COCCC(=O)N 7a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 15516 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,2,0,0,0,0|0,0,1]=3 15517 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,2,0,0,0,0|0,0,1]=3 15518 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_100000744528_200012276598 [0,2,0,0,0,0|1,0,1]=4 15519 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_200012276598_100000744528 [0,2,0,0,0,0|1,0,1]=4 15520 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_100000076356_200012276598 [0,2,0,0,0,0|1,0,1]=4 15521 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_200012276598_100000076356 [0,2,0,0,0,0|1,0,1]=4 15522 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 15523 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 15524 B13R0.188 CCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000212188 [0,2,0,0,0,0|1,0,1]=4 15525 B13R0.188 CCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000212188 [0,2,0,0,0,0|1,0,1]=4 15526 B13R0.188 CCCCCC(=O)NCCCS(=O)C 527a_200000753449_100000212188 [0,2,0,0,0,0|1,0,1]=4 15527 B13R0.188 CCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000212188 [0,2,0,0,0,0|1,0,1]=4 15528 B13R0.188 CCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000212188 [0,2,0,0,0,0|1,0,1]=4 15529 B13R0.188 CCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000212188 [0,2,0,0,0,0|1,0,1]=4 15530 B13R0.188 CCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000212188 [0,2,0,0,0,0|1,0,1]=4 15531 B13R0.188 CCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000212188 [0,2,0,0,0,0|1,0,1]=4 15532 B13R0.188 CCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000212188 [0,2,0,0,0,0|1,0,1]=4 15533 B13R0.188 CCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000212188 [0,2,0,0,0,0|1,0,1]=4 15534 B13R0.188 CCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000212188 [0,2,0,0,0,0|1,0,1]=4 15535 B13R0.188 CCCCCC(C)NCCC=C(C)C 2230a_100000211957_100011217483 [0,2,0,0,0,0|1,0,1]=4 15536 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [0,2,0,0,0,0|1,0,0]=3 15537 B13R0.188 CCCCCC(C)NCCCC(C)C 2230a_100000211957_100011214892 [0,2,0,0,0,0|1,0,1]=4 15538 B13R0.188 CCCCCC(C)NCCCC(C)C 2230a_200000737386_200011218191 [0,2,0,0,0,0|1,0,1]=4 15539 B13R0.188 CCCCCC(C)NCCCC(C)C 270004a_200000737386_100000211708 [0,2,0,0,0,0|1,0,1]=4 15540 B13R0.188 CCCCCC(C)NCCCC(C)C 34a_200000737386_200011218191 [0,2,0,0,0,0|1,0,1]=4 15541 B13R0.188 CCCCCC(C)NCCCC(C)O 2230a_100000211957_200000718107 [0,2,0,0,0,0|0,0,2]=4 15542 B13R0.188 CCCCCC(C)NCCCN(C)C 270004a_102531767803_100000211708 [0,2,0,0,0,0|2,0,0]=4 15543 B13R0.188 CCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218191 [0,2,0,0,0,0|1,0,0]=3 15544 B13R0.188 CCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000211708 [0,2,0,0,0,0|1,0,0]=3 15545 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218191 [0,2,0,0,0,0|1,0,0]=3 15546 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000211957_100000189650 [0,2,0,0,0,0|1,0,0]=3 15547 B13R0.188 CCCCCC(C)NCCNC(=O)N 2230a_100000211957_200000034859 [0,2,0,0,0,0|2,0,0]=4 15548 B13R0.188 CCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218191 [0,2,0,0,0,0|2,0,0]=4 15549 B13R0.188 CCCCCC(C)OCCC=C(C)C 34a_100011215632_100011217483 [0,2,0,0,0,0|1,0,1]=4 15550 B13R0.188 CCCCCC(C)OCCC=C(C)C 7a_100011215632_100011217483 [0,2,0,0,0,0|1,0,1]=4 15551 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,2,0,0,0,0|0,0,0]=2 15552 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,2,0,0,0,0|0,0,0]=2 15553 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,2,0,0,0,0|0,0,0]=2 15554 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,2,0,0,0,0|0,0,0]=2 15555 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [0,2,0,0,0,0|1,0,0]=3 15556 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [0,2,0,0,0,0|1,0,0]=3 15557 B13R0.188 CCCCCC(C)OCCCC(C)C 34a_100000210774_200011218191 [0,2,0,0,0,0|1,0,1]=4 15558 B13R0.188 CCCCCC(C)OCCCC(C)C 34a_100011215632_100011214892 [0,2,0,0,0,0|1,0,1]=4 15559 B13R0.188 CCCCCC(C)OCCCC(C)C 7a_100000210774_200011218191 [0,2,0,0,0,0|1,0,1]=4 15560 B13R0.188 CCCCCC(C)OCCCC(C)C 7a_100011215632_100011214892 [0,2,0,0,0,0|1,0,1]=4 15561 B13R0.188 CCCCCC(C)OCCCC(C)O 34a_100011215632_200000718107 [0,2,0,0,0,0|0,0,2]=4 15562 B13R0.188 CCCCCC(C)OCCCC(C)O 7a_100011215632_200000718107 [0,2,0,0,0,0|0,0,2]=4 15563 B13R0.188 CCCCCC(C)OCCCN(C)C 7a_100011215632_100000757444 [0,2,0,0,0,0|2,0,0]=4 15564 B13R0.188 CCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011218191 [0,2,0,0,0,0|2,0,0]=4 15565 B13R0.188 CCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218191 [0,2,0,0,0,0|1,0,0]=3 15566 B13R0.188 CCCCCC(C)OCCNC(=O)C 7a_100011215632_100000189650 [0,2,0,0,0,0|1,0,0]=3 15567 B13R0.188 CCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218191 [0,2,0,0,0,0|2,0,0]=4 15568 B13R0.188 CCCCCC(C)OCCNC(=O)N 7a_100011215632_200000034859 [0,2,0,0,0,0|2,0,0]=4 15569 B13R0.188 CCCCCC(C)OCCOC(=O)C 34a_100011215632_100009814007 [0,2,0,0,0,0|1,0,0]=3 15570 B13R0.188 CCCCCC(C)OCCOC(=O)C 7a_100011215632_100009814007 [0,2,0,0,0,0|1,0,0]=3 15571 B13R0.188 CCCCCC(C)OCCOC(=O)N 34a_100011215632_200011214921 [0,2,0,0,0,0|2,0,0]=4 15572 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218191 [0,2,0,0,0,0|2,0,0]=4 15573 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100011215632_200011214921 [0,2,0,0,0,0|2,0,0]=4 15574 B13R0.188 CCCCCC(C)SCCC=C(C)C 62a_100011217483_200011218191 [0,2,0,0,0,0|1,0,1]=4 15575 B13R0.188 CCCCCC(C)SCCC=C(C)C 62a_200011218191_100011217483 [0,2,0,0,0,0|1,0,1]=4 15576 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [0,2,0,0,0,0|0,0,0]=2 15577 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [0,2,0,0,0,0|0,0,0]=2 15578 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [0,2,0,0,0,0|1,0,0]=3 15579 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [0,2,0,0,0,0|1,0,0]=3 15580 B13R0.188 CCCCCC(C)SCCCC(C)C 62a_100011214892_200011218191 [0,2,0,0,0,0|1,0,1]=4 15581 B13R0.188 CCCCCC(C)SCCCC(C)C 62a_200011218191_100011214892 [0,2,0,0,0,0|1,0,1]=4 15582 B13R0.188 CCCCCC(C)SCCCC(C)O 62a_200000718107_200011218191 [0,2,0,0,0,0|0,0,2]=4 15583 B13R0.188 CCCCCC(C)SCCCC(C)O 62a_200011218191_200000718107 [0,2,0,0,0,0|0,0,2]=4 15584 B13R0.188 CCCCCC(C)SCCCN(C)C 62a_200011218191_100000757444 [0,2,0,0,0,0|2,0,0]=4 15585 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218191 [0,2,0,0,0,0|1,0,0]=3 15586 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_200011218191_100000189650 [0,2,0,0,0,0|1,0,0]=3 15587 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218191 [0,2,0,0,0,0|2,0,0]=4 15588 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200011218191_200000034859 [0,2,0,0,0,0|2,0,0]=4 15589 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218191 [0,2,0,0,0,0|1,0,0]=3 15590 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_200011218191_100009814007 [0,2,0,0,0,0|1,0,0]=3 15591 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218191 [0,2,0,0,0,0|2,0,0]=4 15592 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011218191_200011214921 [0,2,0,0,0,0|2,0,0]=4 15593 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [0,2,0,0,0,0|0,0,0]=2 15594 B13R0.188 CCCCCN(C)CCCCC(C)C 2230a_100000223495_100011216152 [0,2,0,0,0,0|1,0,1]=4 15595 B13R0.188 CCCCCN(C)CCCCC(C)C 269982a_100000223495_100011216152 [0,2,0,0,0,0|1,0,1]=4 15596 B13R0.188 CCCCCN(C)CCCCN(C)C 269982a_100000223495_100000690147 [0,2,0,0,0,0|2,0,0]=4 15597 B13R0.188 CCCCCN(C)CCCOC(=O)C 269982a_100000223495_100000042594 [0,2,0,0,0,0|1,0,0]=3 15598 B13R0.188 CCCCCN(C)CCCOC(=S)C 2230a_100000223495_200135323944 [0,2,0,0,0,0|1,1,0]=4 15599 B13R0.188 CCCCCN(C)CCCOC(=S)C 269982a_100000223495_200135323944 [0,2,0,0,0,0|1,1,0]=4 15600 B13R0.188 CCCCCN(C)CCCSC(=O)C 2230a_100000223495_100000038929 [0,2,0,0,0,0|1,0,0]=3 15601 B13R0.188 CCCCCN(C)CCCSC(=O)C 269982a_100000223495_100000038929 [0,2,0,0,0,0|1,0,0]=3 15602 B13R0.188 CCCCCN(C)CCOCC(=O)N 2230a_100000223495_100000076697 [0,2,0,0,0,0|2,0,0]=4 15603 B13R0.188 CCCCCN(C)CCOCC(=O)N 269982a_100000223495_100000076697 [0,2,0,0,0,0|2,0,0]=4 15604 B13R0.188 CCCCNC(=O)CCCNC(=O)C 11a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 15605 B13R0.188 CCCCNC(=O)CCCNC(=O)C 1626a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 15606 B13R0.188 CCCCNC(=O)CCCNC(=O)C 240690a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 15607 B13R0.188 CCCCNC(=O)CCCNC(=O)C 527a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 15608 B13R0.188 CCCCNC(=O)COCCC(=O)C 34a_100000759926_100000182744 [0,2,0,0,0,0|1,0,1]=4 15609 B13R0.188 CCCCNC(=O)COCCC(=O)C 7a_100000759926_100000182744 [0,2,0,0,0,0|1,0,1]=4 15610 B13R0.188 CCCCNC(=O)CSCCC(=O)C 62a_100000053229_100000182744 [0,2,0,0,0,0|1,0,1]=4 15611 B13R0.188 CCCCNC(=O)CSCCC(=O)C 62a_100000182744_100000053229 [0,2,0,0,0,0|1,0,1]=4 15612 B13R0.188 CCCCOC(=O)COCCC(=O)C 34a_100000759926_100000211628 [0,2,0,0,0,0|1,0,1]=4 15613 B13R0.188 CCCCOC(=O)COCCC(=O)C 7a_100000759926_100000211628 [0,2,0,0,0,0|1,0,1]=4 15614 B13R0.188 CCCCOC(=O)CSCCC(=O)C 62a_100000053229_100000211628 [0,2,0,0,0,0|1,0,1]=4 15615 B13R0.188 CCCCOC(=O)CSCCC(=O)C 62a_100000211628_100000053229 [0,2,0,0,0,0|1,0,1]=4 15616 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,2,0,0,0,0|0,0,1]=3 15617 B13R0.188 CCCOCC(=O)CCCOC(=O)C 1458a_100000745993_100000042594 [0,2,0,0,0,0|1,0,1]=4 15618 B13R0.188 CCCOCC(=O)CCCSC(=O)C 1458a_100000745993_100000038929 [0,2,0,0,0,0|1,0,1]=4 15619 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,2,0,0,0,0|0,0,1]=3 15620 B13R0.188 CCCSCC(=O)CCCOC(=O)C 1458a_100000217233_100000042594 [0,2,0,0,0,0|1,0,1]=4 15621 B13R0.188 CCCSCC(=O)CCCSC(=O)C 1458a_100000217233_100000038929 [0,2,0,0,0,0|1,0,1]=4 15622 B13R0.188 CCCSCC(C)NCCCS(=O)C 270004a_200000753449_100011343953 [0,2,0,0,0,0|2,0,0]=4 15623 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,2,0,0,0,0|0,0,1]=3 15624 B13R0.188 CCOCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215890 [0,2,0,0,0,0|1,0,1]=4 15625 B13R0.188 CCOCCC(=O)CCCOC(=O)C 1458a_100000749530_100000042594 [0,2,0,0,0,0|1,0,1]=4 15626 B13R0.188 CCOCCC(=O)CCCSC(=O)C 1458a_100000749530_100000038929 [0,2,0,0,0,0|1,0,1]=4 15627 B13R0.188 CCOCCC(C)NCCCS(=O)C 270004a_200000753449_200011216536 [0,2,0,0,0,0|2,0,0]=4 15628 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,2,0,0,0,0|0,0,1]=3 15629 B13R0.188 CCSCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757381 [0,2,0,0,0,0|1,0,1]=4 15630 B13R0.188 CCSCCC(=O)CCCOC(=O)C 1458a_100000230768_100000042594 [0,2,0,0,0,0|1,0,1]=4 15631 B13R0.188 CCSCCC(=O)CCCSC(=O)C 1458a_100000230768_100000038929 [0,2,0,0,0,0|1,0,1]=4 15632 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,2,0,0,0,0|0,0,1]=3 15633 B13R0.188 COCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000740836 [0,2,0,0,0,0|1,0,1]=4 15634 B13R0.188 COCCCC(=O)CCCOC(=O)C 1458a_100000741012_100000042594 [0,2,0,0,0,0|1,0,1]=4 15635 B13R0.188 COCCCC(=O)CCCSC(=O)C 1458a_100000741012_100000038929 [0,2,0,0,0,0|1,0,1]=4 15636 B13R0.188 COCCCC(C)OCCCC(=O)C 34a_200011539412_100000685027 [0,2,0,0,0,0|1,0,0]=3 15637 B13R0.188 COCCCC(C)OCCCC(=O)C 7a_200011539412_100011215641 [0,2,0,0,0,0|1,0,0]=3 15638 B13R0.188 COCCCC(C)OCCCC(=O)N 34a_200011539412_100102525003 [0,2,0,0,0,0|2,0,0]=4 15639 B13R0.188 COCCCC(C)OCCCC(=O)N 7a_200011539412_100102525003 [0,2,0,0,0,0|2,0,0]=4 15640 B13R0.188 COCCCC(C)OCCNC(=O)C 7a_200011539412_100000189650 [0,2,0,0,0,0|2,0,0]=4 15641 B13R0.188 COCCCC(C)OCCOC(=O)C 34a_200011539412_100009814007 [0,2,0,0,0,0|2,0,0]=4 15642 B13R0.188 COCCCC(C)OCCOC(=O)C 7a_200011539412_100009814007 [0,2,0,0,0,0|2,0,0]=4 15643 B13R0.188 COCCCN(C)CCCCC(=O)C 269982a_100000224831_100000735457 [0,2,0,0,0,0|1,0,0]=3 15644 B13R0.188 COCCCN(C)CCCOC(=O)C 269982a_100000224831_100000042594 [0,2,0,0,0,0|2,0,0]=4 15645 B13R0.188 COCCCN(C)CCCSC(=O)C 2230a_100000224831_100000038929 [0,2,0,0,0,0|2,0,0]=4 15646 B13R0.188 COCCCN(C)CCCSC(=O)C 269982a_100000224831_100000038929 [0,2,0,0,0,0|2,0,0]=4 15647 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,2,0,0,0,0|0,0,1]=3 15648 B13R0.188 CSCCCC(=O)CCCOC(=O)C 1458a_100000173376_100000042594 [0,2,0,0,0,0|1,0,1]=4 15649 B13R0.188 CSCCCC(=O)CCCSC(=O)C 1458a_100000173376_100000038929 [0,2,0,0,0,0|1,0,1]=4 15650 B13R0.188 CSCCCC(C)NCCCS(=O)C 270004a_200000753449_100011399439 [0,2,0,0,0,0|2,0,0]=4 15651 B13R0.188 NCCCC[C@H](N)COCCC(=O)N 34a_100016993712_100000731001 [0,2,0,0,0,0|2,0,0]=4 15652 B13R0.261 CC(=O)CCCCN(C)C(C)CCO 269982a_100000731037_100000735457 [0,2,0,0,0,0|2,0,0]=4 15653 B13R0.261 CCCC(C)C(=O)CCCCC(=O)C 1458a_100000210906_100000735457 [0,2,0,0,0,0|0,0,1]=3 15654 B13R0.261 CCCC(C)C(=O)CCCNC(=O)C 1458a_100000194741_100000766640 [0,2,0,0,0,0|1,0,1]=4 15655 B13R0.261 CCCC(C)C(=O)CCCOC(=O)C 1458a_100000210906_100000042594 [0,2,0,0,0,0|1,0,1]=4 15656 B13R0.261 CCCC(C)C(=O)CCCSC(=O)C 1458a_100000210906_100000038929 [0,2,0,0,0,0|1,0,1]=4 15657 B13R0.261 CCCC(C)C(C)NCCCS(=O)C 270004a_200000753449_100011216282 [0,2,0,0,0,0|2,0,0]=4 15658 B13R0.261 CCCC(C)C(C)OCCCC(=O)C 34a_100000708338_100000685027 [0,2,0,0,0,0|1,0,0]=3 15659 B13R0.261 CCCC(C)C(C)OCCCC(=O)C 7a_100000708338_100011215641 [0,2,0,0,0,0|1,0,0]=3 15660 B13R0.261 CCCC(C)C(C)OCCCC(=O)N 34a_100000708338_100102525003 [0,2,0,0,0,0|2,0,0]=4 15661 B13R0.261 CCCC(C)C(C)OCCCC(=O)N 7a_100000708338_100102525003 [0,2,0,0,0,0|2,0,0]=4 15662 B13R0.261 CCCC(C)C(C)OCCNC(=O)C 7a_100000708338_100000189650 [0,2,0,0,0,0|2,0,0]=4 15663 B13R0.261 CCCC(C)C(C)OCCOC(=O)C 34a_100000708338_100009814007 [0,2,0,0,0,0|2,0,0]=4 15664 B13R0.261 CCCC(C)C(C)OCCOC(=O)C 7a_100000708338_100009814007 [0,2,0,0,0,0|2,0,0]=4 15665 B13R0.261 CCC[C@H](O)C(=O)CCCCC(=O)C 1458a_100009822183_100000735457 [0,2,0,0,0,0|0,0,1]=3 15666 B13R0.261 CCC[C@H](O)C(=O)CCCOC(=O)C 1458a_100009822183_100000042594 [0,2,0,0,0,0|1,0,1]=4 15667 B13R0.261 CCC[C@H](O)C(=O)CCCSC(=O)C 1458a_100009822183_100000038929 [0,2,0,0,0,0|1,0,1]=4 15668 B13R0.261 CCOC(C)C(=O)CCCCC(=O)C 1458a_100000739345_100000735457 [0,2,0,0,0,0|1,0,1]=4 15669 B13R0.261 CCSC(C)C(=O)CCCCC(=O)C 1458a_100000230601_100000735457 [0,2,0,0,0,0|1,0,1]=4 15670 B13R0.261 COCC(C)C(=O)CCCCC(=O)C 1458a_100000751857_100000735457 [0,2,0,0,0,0|1,0,1]=4 15671 B13R0.261 CSCC(C)C(=O)CCCCC(=O)C 1458a_100000753918_100000735457 [0,2,0,0,0,0|1,0,1]=4 15672 B13R0.300 C#CC(CCCC)OCCCC(=O)C 34a_200011217967_100000685027 [0,2,0,0,0,0|1,0,0]=3 15673 B13R0.300 C#CC(CCCC)OCCCC(=O)C 7a_200011217967_100011215641 [0,2,0,0,0,0|1,0,0]=3 15674 B13R0.300 C#CC(CCCC)OCCCC(=O)N 34a_200011217967_100102525003 [0,2,0,0,0,0|2,0,0]=4 15675 B13R0.300 C#CC(CCCC)OCCCC(=O)N 7a_200011217967_100102525003 [0,2,0,0,0,0|2,0,0]=4 15676 B13R0.300 C#CC(CCCC)OCCNC(=O)C 7a_200011217967_100000189650 [0,2,0,0,0,0|2,0,0]=4 15677 B13R0.300 C#CC(CCCC)OCCOC(=O)C 34a_200011217967_100009814007 [0,2,0,0,0,0|2,0,0]=4 15678 B13R0.300 C#CC(CCCC)OCCOC(=O)C 7a_200011217967_100009814007 [0,2,0,0,0,0|2,0,0]=4 15679 B13R0.300 C=C(C)CCNCC(CC)CCCC 2230a_100000209976_100000730704 [0,2,0,0,0,0|2,0,0]=4 15680 B13R0.300 C=C(C)CCOCC(CC)CCCC 34a_100000210273_100000730704 [0,2,0,0,0,0|2,0,0]=4 15681 B13R0.300 C=C(C)CCOCC(CC)CCCC 34a_100000764851_100000211942 [0,2,0,0,0,0|2,0,0]=4 15682 B13R0.300 C=C(C)CCOCC(CC)CCCC 7a_100000210273_100000730704 [0,2,0,0,0,0|2,0,0]=4 15683 B13R0.300 C=C(C)CCSCC(CC)CCCC 62a_100000211942_100000730704 [0,2,0,0,0,0|2,0,0]=4 15684 B13R0.300 C=C(C)CCSCC(CC)CCCC 62a_100000730704_100000211942 [0,2,0,0,0,0|2,0,0]=4 15685 B13R0.300 C=CC(CCCC)OCCCC(=O)C 34a_200011215037_100000685027 [0,2,0,0,0,0|1,0,0]=3 15686 B13R0.300 C=CC(CCCC)OCCCC(=O)C 7a_200011215037_100011215641 [0,2,0,0,0,0|1,0,0]=3 15687 B13R0.300 C=CC(CCCC)OCCCC(=O)N 34a_200011215037_100102525003 [0,2,0,0,0,0|2,0,0]=4 15688 B13R0.300 C=CC(CCCC)OCCCC(=O)N 7a_200011215037_100102525003 [0,2,0,0,0,0|2,0,0]=4 15689 B13R0.300 C=CC(CCCC)OCCNC(=O)C 7a_200011215037_100000189650 [0,2,0,0,0,0|2,0,0]=4 15690 B13R0.300 C=CC(CCCC)OCCOC(=O)C 34a_200011215037_100009814007 [0,2,0,0,0,0|2,0,0]=4 15691 B13R0.300 C=CC(CCCC)OCCOC(=O)C 7a_200011215037_100009814007 [0,2,0,0,0,0|2,0,0]=4 15692 B13R0.300 CCCCC(CC)CCCCC(=O)C 1458a_100000070787_200012094884 [0,2,0,0,0,0|0,0,0]=2 15693 B13R0.300 CCCCC(CC)CCCCN(C)C 2230a_100102631434_200012094884 [0,2,0,0,0,0|2,0,0]=4 15694 B13R0.300 CCCCC(CC)CCCCN(C)C 269982a_100102631434_200012094884 [0,2,0,0,0,0|2,0,0]=4 15695 B13R0.300 CCCCC(CC)CNCCC(=O)N 2230a_100000209976_100000744528 [0,2,0,0,0,0|2,0,0]=4 15696 B13R0.300 CCCCC(CC)CNCCC(=O)N 269862a_100000740010_100011219736 [0,2,0,0,0,0|2,0,0]=4 15697 B13R0.300 CCCCC(CC)COCCC(=O)C 34a_100000759926_100000211942 [0,2,0,0,0,0|1,0,0]=3 15698 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000210273_100000053229 [0,2,0,0,0,0|1,0,0]=3 15699 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000759926_100000211942 [0,2,0,0,0,0|1,0,0]=3 15700 B13R0.300 CCCCC(CC)COCCC(=O)N 34a_100000210273_100000731001 [0,2,0,0,0,0|2,0,0]=4 15701 B13R0.300 CCCCC(CC)COCCC(=O)N 34a_100000757172_100000211942 [0,2,0,0,0,0|2,0,0]=4 15702 B13R0.300 CCCCC(CC)COCCC(=O)N 7a_100000210273_100000744528 [0,2,0,0,0,0|2,0,0]=4 15703 B13R0.300 CCCCC(CC)COCCC(=O)N 7a_100000757172_100000211942 [0,2,0,0,0,0|2,0,0]=4 15704 B13R0.300 CCCCC(CC)COCOC(=O)C 34a_100000210273_100009813279 [0,2,0,0,0,0|2,0,0]=4 15705 B13R0.300 CCCCC(CC)CSCCC(=O)C 62a_100000053229_100000211942 [0,2,0,0,0,0|1,0,0]=3 15706 B13R0.300 CCCCC(CC)CSCCC(=O)C 62a_100000211942_100000053229 [0,2,0,0,0,0|1,0,0]=3 15707 B13R0.300 CCCCC(CC)CSCCC(=O)N 62a_100000211942_100000744528 [0,2,0,0,0,0|2,0,0]=4 15708 B13R0.300 CCCCC(CC)CSCCC(=O)N 62a_100000744528_100000211942 [0,2,0,0,0,0|2,0,0]=4 15709 B13R0.300 CCCCC(CC)CSCOC(=O)C 62a_100000076356_100000211942 [0,2,0,0,0,0|2,0,0]=4 15710 B13R0.300 CCCCC(CC)CSCOC(=O)C 62a_100000211942_100000076356 [0,2,0,0,0,0|2,0,0]=4 15711 B13R0.300 CCCCC(CC)NCCCC(=O)N 34a_100000739312_200011216223 [0,2,0,0,0,0|2,0,0]=4 15712 B13R0.300 CCCCC(CC)NCCCS(=O)C 270004a_200000753449_100000753412 [0,2,0,0,0,0|2,0,0]=4 15713 B13R0.300 CCCCC(CC)OCCCC(=O)C 34a_100000759063_200011216223 [0,2,0,0,0,0|1,0,0]=3 15714 B13R0.300 CCCCC(CC)OCCCC(=O)C 34a_100011215227_100000685027 [0,2,0,0,0,0|1,0,0]=3 15715 B13R0.300 CCCCC(CC)OCCCC(=O)C 7a_100000759063_200011216223 [0,2,0,0,0,0|1,0,0]=3 15716 B13R0.300 CCCCC(CC)OCCCC(=O)C 7a_100011215227_100011215641 [0,2,0,0,0,0|1,0,0]=3 15717 B13R0.300 CCCCC(CC)OCCCC(=O)N 34a_100011215227_100102525003 [0,2,0,0,0,0|2,0,0]=4 15718 B13R0.300 CCCCC(CC)OCCCC(=O)N 7a_100011215227_100102525003 [0,2,0,0,0,0|2,0,0]=4 15719 B13R0.300 CCCCC(CC)OCCNC(=O)C 34a_100000158858_200011216223 [0,2,0,0,0,0|2,0,0]=4 15720 B13R0.300 CCCCC(CC)OCCNC(=O)C 7a_100011215227_100000189650 [0,2,0,0,0,0|2,0,0]=4 15721 B13R0.300 CCCCC(CC)OCCOC(=O)C 34a_100011215227_100009814007 [0,2,0,0,0,0|2,0,0]=4 15722 B13R0.300 CCCCC(CC)OCCOC(=O)C 7a_100011215227_100009814007 [0,2,0,0,0,0|2,0,0]=4 15723 B13R0.300 CCCCC(CC)SCCCC(=O)C 62a_100011215641_200011216223 [0,2,0,0,0,0|1,0,0]=3 15724 B13R0.300 CCCCC(CC)SCCCC(=O)C 62a_200011216223_100011215641 [0,2,0,0,0,0|1,0,0]=3 15725 B13R0.300 CCCCC(CC)SCCCC(=O)N 62a_100102525003_200011216223 [0,2,0,0,0,0|2,0,0]=4 15726 B13R0.300 CCCCC(CC)SCCCC(=O)N 62a_200011216223_100102525003 [0,2,0,0,0,0|2,0,0]=4 15727 B13R0.300 CCCCC(CC)SCCNC(=O)C 62a_100000189650_200011216223 [0,2,0,0,0,0|2,0,0]=4 15728 B13R0.300 CCCCC(CC)SCCNC(=O)C 62a_200011216223_100000189650 [0,2,0,0,0,0|2,0,0]=4 15729 B13R0.300 CCCCC(CC)SCCOC(=O)C 62a_100009814007_200011216223 [0,2,0,0,0,0|2,0,0]=4 15730 B13R0.300 CCCCC(CC)SCCOC(=O)C 62a_200011216223_100009814007 [0,2,0,0,0,0|2,0,0]=4 15731 B13R0.300 CCCCN(CC)CCCCC(=O)C 269982a_100000207695_100000735457 [0,2,0,0,0,0|1,0,0]=3 15732 B13R0.300 CCCCN(CC)CCCOC(=O)C 269982a_100000207695_100000042594 [0,2,0,0,0,0|2,0,0]=4 15733 B13R0.300 CCCCN(CC)CCCSC(=O)C 2230a_100000207695_100000038929 [0,2,0,0,0,0|2,0,0]=4 15734 B13R0.300 CCCCN(CC)CCCSC(=O)C 269982a_100000207695_100000038929 [0,2,0,0,0,0|2,0,0]=4 15735 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)C 34a_100011934283_100000685027 [0,2,0,0,0,0|1,0,0]=3 15736 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)N 34a_100011934283_100102525003 [0,2,0,0,0,0|2,0,0]=4 15737 B13R0.300 CCCC[C@@H](CO)NCCNC(=O)C 2230a_100011934283_100000189650 [0,2,0,0,0,0|2,0,0]=4 15738 B13R0.300 CCCC[C@@H](CO)NCCOC(=O)C 34a_100011934283_100009814007 [0,2,0,0,0,0|2,0,0]=4 15739 B13R0.300 CCN(CCCCC(=O)C)CCOC 269982a_100000731262_100000735457 [0,2,0,0,0,0|2,0,0]=4 15740 B13R0.300 CCOCC(CN)OCCCC(=O)C 34a_102515437182_100000685027 [0,2,0,0,0,0|2,0,0]=4 15741 B13R0.345 CCCCC(C)C(=O)CCCC(=O)C 1458a_100000725509_100011215641 [0,2,0,0,0,0|0,0,1]=3 15742 B13R0.345 CCCCC(C)C(=O)CCCC(=O)N 1458a_100000725509_100102525003 [0,2,0,0,0,0|1,0,1]=4 15743 B13R0.345 CCCCC(C)C(=O)CCNC(=O)C 1458a_100000183196_200011215066 [0,2,0,0,0,0|1,0,1]=4 15744 B13R0.345 CCCCC(C)C(=O)CCNC(=O)C 1458a_100000725509_100000189650 [0,2,0,0,0,0|1,0,1]=4 15745 B13R0.345 CCCCC(C)C(=O)CCOC(=O)C 1458a_100000725509_100009814007 [0,2,0,0,0,0|1,0,1]=4 15746 B13R0.345 CCCCC(C)C(=O)CCSC(=O)C 1458a_100000048949_200011215066 [0,2,0,0,0,0|1,0,1]=4 15747 B13R0.345 CCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011215066 [0,2,0,0,0,0|2,0,0]=4 15748 B13R0.345 CCCCC(O)C(=O)CCCC(=O)C 1458a_100000720857_100011215641 [0,2,0,0,0,0|0,0,1]=3 15749 B13R0.345 CCCCC(O)C(=O)CCCC(=O)N 1458a_100000720857_100102525003 [0,2,0,0,0,0|1,0,1]=4 15750 B13R0.345 CCCCC(O)C(=O)CCNC(=O)C 1458a_100000720857_100000189650 [0,2,0,0,0,0|1,0,1]=4 15751 B13R0.345 CCCCC(O)C(=O)CCOC(=O)C 1458a_100000720857_100009814007 [0,2,0,0,0,0|1,0,1]=4 15752 B13R0.345 CSCCC(O)C(=O)CCCC(=O)C 1458a_100000685904_100011215641 [0,2,0,0,0,0|1,0,1]=4 15753 B13R0.456 C=C(C)CCOCC(C)(C)CCCC 7a_200011995781_100000730704 [0,2,0,0,0,0|2,0,0]=4 15754 B13R0.456 CC(=O)CCCOC(C)(C)CCCBr 7a_100009888830_100011215641 [0,2,0,0,0,0|2,0,0]=4 15755 B13R0.456 CCCCC(C)(C)COCCC(=O)C 7a_200011995781_100000053229 [0,2,0,0,0,0|1,0,0]=3 15756 B13R0.456 CCCCC(C)(C)COCCC(=O)N 7a_200011995781_100000744528 [0,2,0,0,0,0|2,0,0]=4 15757 B13R0.456 CCCCC(C)(C)OCCCC(=O)C 7a_100011219641_100011215641 [0,2,0,0,0,0|1,0,0]=3 15758 B13R0.456 CCCCC(C)(C)OCCCC(=O)N 7a_100011219641_100102525003 [0,2,0,0,0,0|2,0,0]=4 15759 B13R0.456 CCCCC(C)(C)OCCNC(=O)C 7a_100011219641_100000189650 [0,2,0,0,0,0|2,0,0]=4 15760 B13R0.456 CCCCC(C)(C)OCCOC(=O)C 7a_100011219641_100009814007 [0,2,0,0,0,0|2,0,0]=4 15761 B13R0.456 CCCC[Si](C)(C)COCCC(=O)C 7a_100000759926_200000073895 [0,2,0,0,0,0|1,1,0]=4 15762 B13R0.456 CCCC[Si](C)(C)CSCCC(=O)C 62a_100000053229_200000073895 [0,2,0,0,0,0|1,1,0]=4 15763 B13R0.456 CCCC[Si](C)(C)CSCCC(=O)C 62a_200000073895_100000053229 [0,2,0,0,0,0|1,1,0]=4 15764 B13R0.21 CCCC(C)CCOCCS(=O)(=O)C 34a_100011217855_100000731031 [0,2,0,0,0,0|2,0,0]=4 15765 B13R0.21 CCCC(C)CCOCCS(=O)(=O)C 7a_100011217855_100000230027 [0,2,0,0,0,0|2,0,0]=4 15766 B13R0.21 CCCC(C)CNCCCS(=O)(=O)C 2230a_100000742409_100011216630 [0,2,0,0,0,0|2,0,0]=4 15767 B13R0.21 CCCC(C)CNCCCS(=O)(=O)C 270004a_100000742409_100000243154 [0,2,0,0,0,0|2,0,0]=4 15768 B13R0.21 CCCC(C)CNCCCS(=O)(=O)C 34a_100000742409_100011216630 [0,2,0,0,0,0|2,0,0]=4 15769 B13R0.21 CCCC(C)COCCCS(=O)(=O)C 34a_100000688023_100000754308 [0,2,0,0,0,0|2,0,0]=4 15770 B13R0.21 CCCC(C)COCCCS(=O)(=O)C 34a_100000689940_100011216630 [0,2,0,0,0,0|2,0,0]=4 15771 B13R0.21 CCCC(C)COCCCS(=O)(=O)C 7a_100000688023_100000754308 [0,2,0,0,0,0|2,0,0]=4 15772 B13R0.21 CCCC(C)COCCCS(=O)(=O)C 7a_100000689940_100011216630 [0,2,0,0,0,0|2,0,0]=4 15773 B13R0.21 CCCC(C)CSCCCS(=O)(=O)C 62a_100000754308_100011216630 [0,2,0,0,0,0|2,0,0]=4 15774 B13R0.21 CCCC(C)CSCCCS(=O)(=O)C 62a_100011216630_100000754308 [0,2,0,0,0,0|2,0,0]=4 15775 B13R0.21 CCC[C@H](N)CCOCCS(=O)(=O)C 34a_100015193777_100000731031 [0,2,0,0,0,0|2,0,0]=4 15776 B13R0.21 CCC[C@H](N)COCCCS(=O)(=O)C 34a_100000732646_100000754308 [0,2,0,0,0,0|2,0,0]=4 15777 B13R0.57 CCCCCCCCN(C)S(=O)(=O)C 40a_100000207567_100000738038 [0,2,0,0,0,0|2,0,0]=4 15778 B13R0.196 CCCCCC(=O)CCCS(=O)(=O)C 1458a_100000212188_100000754308 [0,2,0,0,0,0|1,0,1]=4 15779 B13R0.196 CCCCCC(C)NCCS(=O)(=O)C 2230a_100000211957_100000731031 [0,2,0,0,0,0|2,0,0]=4 15780 B13R0.196 CCCCCC(C)NCCS(=O)(=O)C 2230a_100000740961_200011218191 [0,2,0,0,0,0|2,0,0]=4 15781 B13R0.196 CCCCCC(C)NCCS(=O)(=O)C 270004a_100000740961_100000211708 [0,2,0,0,0,0|2,0,0]=4 15782 B13R0.196 CCCCCC(C)NCCS(=O)(=O)C 34a_100000740961_200011218191 [0,2,0,0,0,0|2,0,0]=4 15783 B13R0.196 CCCCCC(C)OCCS(=O)(=O)C 34a_100000211924_200011218191 [0,2,0,0,0,0|2,0,0]=4 15784 B13R0.196 CCCCCC(C)OCCS(=O)(=O)C 34a_100011215632_100000731031 [0,2,0,0,0,0|2,0,0]=4 15785 B13R0.196 CCCCCC(C)OCCS(=O)(=O)C 7a_100000211924_200011218191 [0,2,0,0,0,0|2,0,0]=4 15786 B13R0.196 CCCCCC(C)OCCS(=O)(=O)C 7a_100011215632_100000230027 [0,2,0,0,0,0|2,0,0]=4 15787 B13R0.196 CCCCCC(C)SCCS(=O)(=O)C 62a_100000731031_200011218191 [0,2,0,0,0,0|2,0,0]=4 15788 B13R0.196 CCCCCC(C)SCCS(=O)(=O)C 62a_200011218191_100000230027 [0,2,0,0,0,0|2,0,0]=4 15789 B13R0.196 CCCCCN(C)CCCS(=O)(=O)C 2230a_100000223495_100000754308 [0,2,0,0,0,0|2,0,0]=4 15790 B13R0.196 CCCCCN(C)CCCS(=O)(=O)C 269982a_100000223495_100000754308 [0,2,0,0,0,0|2,0,0]=4 15791 B13R0.280 CCCCCCCCCNC(C)(C)C 2230a_100000715429_100011214924 [0,2,0,0,0,0|1,0,1]=4 15792 B13R0.280 CCCCCCCCCNC(C)(C)C 34a_100000212291_100000210625 [0,2,0,0,0,0|1,0,1]=4 15793 B13R0.280 CCCCCCCCCNS(=O)(=O)C 40a_100000212291_100000738038 [0,2,0,0,0,0|1,0,0]=3 15794 B13R0.280 CCCCCCCCCOC(C)(C)C 34a_100000210712_100000210625 [0,2,0,0,0,0|1,0,1]=4 15795 B13R0.280 CCCCCCCCCOC(C)(C)C 34a_100015890283_100011214924 [0,2,0,0,0,0|1,0,1]=4 15796 B13R0.280 CCCCCCCCCOC(C)(C)C 7a_100015890283_100000210328 [0,2,0,0,0,0|1,0,1]=4 15797 B13R0.280 CCCCCCCCCSC(C)(C)C 62a_100000211941_100000210670 [0,2,0,0,0,0|1,0,1]=4 15798 B13R0.280 CCCCCCCCNCC(C)(C)C 2230a_100000743828_100000210759 [0,2,0,0,0,0|1,0,1]=4 15799 B13R0.280 CCCCCCCCNCC(C)(C)C 270004a_100000229939_100011204126 [0,2,0,0,0,0|1,0,1]=4 15800 B13R0.280 CCCCCCCCNCC(C)(C)C 34a_100000229939_100011219605 [0,2,0,0,0,0|1,0,1]=4 15801 B13R0.280 CCCCCCCCNCC(C)(C)F 2230a_100020643315_100000210759 [0,2,0,0,0,0|1,0,1]=4 15802 B13R0.280 CCCCCCCCNCC(C)(C)F 34a_100000229939_100011997219 [0,2,0,0,0,0|1,0,1]=4 15803 B13R0.280 CCCCCCCCNCC(C)(C)O 2230a_100000751335_100000210759 [0,2,0,0,0,0|0,0,2]=4 15804 B13R0.280 CCCCCCCCNCC(C)(C)O 34a_100000229939_100000764493 [0,2,0,0,0,0|0,0,2]=4 15805 B13R0.280 CCCCCCCCNCS(=O)(=O)[O-] 34a_100000229939_100009817235 [0,2,0,0,0,0|2,0,0]=4 15806 B13R0.280 CCCCCCCCNC[Si](C)(C)C 2230a_100000229939_100000037933 [0,2,0,0,0,0|1,1,0]=4 15807 B13R0.280 CCCCCCCCOCC(C)(C)C 34a_100000210232_100011219605 [0,2,0,0,0,0|1,0,1]=4 15808 B13R0.280 CCCCCCCCOCC(C)(C)F 34a_100000210232_100011997219 [0,2,0,0,0,0|1,0,1]=4 15809 B13R0.280 CCCCCCCCOCC(C)(C)F 34a_100000716592_100000210759 [0,2,0,0,0,0|1,0,1]=4 15810 B13R0.280 CCCCCCCCOCC(C)(C)O 34a_100000210232_100000764493 [0,2,0,0,0,0|0,0,2]=4 15811 B13R0.280 CCCCCCCCOCC(C)(C)O 7a_100000210232_100000764493 [0,2,0,0,0,0|0,0,2]=4 15812 B13R0.280 CCCCCCCCOCC(C)(F)F 34a_100000068830_100000210759 [0,2,0,0,0,0|1,0,1]=4 15813 B13R0.280 CCCCCCCCOCS(=O)(=O)[O-] 34a_100000210232_100009817235 [0,2,0,0,0,0|2,0,0]=4 15814 B13R0.280 CCCCCCCCOC[Si](C)(C)C 7a_100000210232_100000233785 [0,2,0,0,0,0|1,1,0]=4 15815 B13R0.280 CCCCCCCCSCC(C)(C)C 62a_100000210759_100011219605 [0,2,0,0,0,0|1,0,1]=4 15816 B13R0.280 CCCCCCCCSCC(C)(C)C 62a_100011219605_100000210317 [0,2,0,0,0,0|1,0,1]=4 15817 B13R0.280 CCCCCCCCSCC(C)(C)F 62a_100000210759_100011997219 [0,2,0,0,0,0|1,0,1]=4 15818 B13R0.280 CCCCCCCCSCC(C)(C)F 62a_100011997219_100000210317 [0,2,0,0,0,0|1,0,1]=4 15819 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000210759_100000764493 [0,2,0,0,0,0|0,0,2]=4 15820 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000764493_100000210317 [0,2,0,0,0,0|0,0,2]=4 15821 B13R0.280 CCCCCCCCSCS(=O)(=O)N 62a_100000210759_100000741382 [0,2,0,0,0,0|2,0,0]=4 15822 B13R0.280 CCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210317 [0,2,0,0,0,0|2,0,0]=4 15823 B13R0.280 CCCCCCCCSCS(=O)(=O)[O-] 62a_100000210759_100009817235 [0,2,0,0,0,0|2,0,0]=4 15824 B13R0.280 CCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210317 [0,2,0,0,0,0|2,0,0]=4 15825 B13R0.280 CCCCCCCCSC[N+](C)(C)C 62a_100000210759_200000036245 [0,2,0,0,0,0|2,0,0]=4 15826 B13R0.280 CCCCCCCCSC[N+](C)(C)C 62a_200000036245_100000210317 [0,2,0,0,0,0|2,0,0]=4 15827 B13R0.280 CCCCCCCCSC[Si](C)(C)C 62a_100000037933_100000210317 [0,2,0,0,0,0|1,1,0]=4 15828 B13R0.280 CCCCCCCCSC[Si](C)(C)C 62a_100000210759_100000037933 [0,2,0,0,0,0|1,1,0]=4 15829 B13R0.280 CCCCCCCNCCC(C)(C)C 2230a_100000229938_100000755188 [0,2,0,0,0,0|1,0,1]=4 15830 B13R0.280 CCCCCCCNCCC(C)(C)C 2230a_100000738805_100000210681 [0,2,0,0,0,0|1,0,1]=4 15831 B13R0.280 CCCCCCCNCCC(C)(C)F 2230a_100016253952_100000210681 [0,2,0,0,0,0|1,0,1]=4 15832 B13R0.280 CCCCCCCNCCC(C)(C)O 2230a_100000229938_100000702414 [0,2,0,0,0,0|0,0,2]=4 15833 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000229938_100000731031 [0,2,0,0,0,0|1,0,0]=3 15834 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210681 [0,2,0,0,0,0|1,0,0]=3 15835 B13R0.280 CCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210614 [0,2,0,0,0,0|1,0,0]=3 15836 B13R0.280 CCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210681 [0,2,0,0,0,0|2,0,0]=4 15837 B13R0.280 CCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210614 [0,2,0,0,0,0|2,0,0]=4 15838 B13R0.280 CCCCCCCNCCS(=O)(=O)[O-] 2230a_100000229938_100000737633 [0,2,0,0,0,0|2,0,0]=4 15839 B13R0.280 CCCCCCCNCC[Si](C)(C)C 2230a_100000229938_200000733723 [0,2,0,0,0,0|1,1,0]=4 15840 B13R0.280 CCCCCCCOCCC(C)(C)C 34a_100000210272_100000755188 [0,2,0,0,0,0|1,0,1]=4 15841 B13R0.280 CCCCCCCOCCC(C)(C)C 7a_100000210272_100000755188 [0,2,0,0,0,0|1,0,1]=4 15842 B13R0.280 CCCCCCCOCCC(C)(C)C 7a_100000765024_100000210614 [0,2,0,0,0,0|1,0,1]=4 15843 B13R0.280 CCCCCCCOCCC(C)(C)O 34a_100000210272_100000702414 [0,2,0,0,0,0|0,0,2]=4 15844 B13R0.280 CCCCCCCOCCC(C)(C)O 7a_100000210272_100000702414 [0,2,0,0,0,0|0,0,2]=4 15845 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000210272_100000731031 [0,2,0,0,0,0|1,0,0]=3 15846 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210614 [0,2,0,0,0,0|1,0,0]=3 15847 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000210272_100000230027 [0,2,0,0,0,0|1,0,0]=3 15848 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210614 [0,2,0,0,0,0|1,0,0]=3 15849 B13R0.280 CCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210614 [0,2,0,0,0,0|2,0,0]=4 15850 B13R0.280 CCCCCCCOCCS(=O)(=O)[O-] 34a_100000210272_100000762736 [0,2,0,0,0,0|2,0,0]=4 15851 B13R0.280 CCCCCCCOCC[N+](C)(C)C 34a_100000210272_100000085578 [0,2,0,0,0,0|2,0,0]=4 15852 B13R0.280 CCCCCCCOCC[N+](C)(C)C 7a_100000210272_100000085578 [0,2,0,0,0,0|2,0,0]=4 15853 B13R0.280 CCCCCCCOCC[N+](C)(C)C 7a_200020618287_100000210614 [0,2,0,0,0,0|2,0,0]=4 15854 B13R0.280 CCCCCCCOCC[Si](C)(C)C 34a_100000210272_200000733723 [0,2,0,0,0,0|1,1,0]=4 15855 B13R0.280 CCCCCCCOCC[Si](C)(C)C 7a_100000039746_100000210614 [0,2,0,0,0,0|1,1,0]=4 15856 B13R0.280 CCCCCCCOCC[Si](C)(C)C 7a_100000210272_200000733723 [0,2,0,0,0,0|1,1,0]=4 15857 B13R0.280 CCCCCCCSCCC(C)(C)C 62a_100000210614_100000755188 [0,2,0,0,0,0|1,0,1]=4 15858 B13R0.280 CCCCCCCSCCC(C)(C)C 62a_100000755188_100000210316 [0,2,0,0,0,0|1,0,1]=4 15859 B13R0.280 CCCCCCCSCCC(C)(C)O 62a_100000210614_100000702414 [0,2,0,0,0,0|0,0,2]=4 15860 B13R0.280 CCCCCCCSCCC(C)(C)O 62a_100000702414_100000210316 [0,2,0,0,0,0|0,0,2]=4 15861 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000210614_100000230027 [0,2,0,0,0,0|1,0,0]=3 15862 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210316 [0,2,0,0,0,0|1,0,0]=3 15863 B13R0.280 CCCCCCCSCCS(=O)(=O)[O-] 62a_100000210614_100000762736 [0,2,0,0,0,0|2,0,0]=4 15864 B13R0.280 CCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210316 [0,2,0,0,0,0|2,0,0]=4 15865 B13R0.280 CCCCCCCSCC[N+](C)(C)C 62a_100000085578_100000210316 [0,2,0,0,0,0|2,0,0]=4 15866 B13R0.280 CCCCCCCSCC[N+](C)(C)C 62a_100000210614_100000085578 [0,2,0,0,0,0|2,0,0]=4 15867 B13R0.280 CCCCCCCSCC[Si](C)(C)C 62a_100000210614_200000733723 [0,2,0,0,0,0|1,1,0]=4 15868 B13R0.280 CCCCCCCSCC[Si](C)(C)C 62a_200000733723_100000210316 [0,2,0,0,0,0|1,1,0]=4 15869 B13R0.280 CCCCCCNCCCC(C)(C)O 2230a_100000210581_100009888830 [0,2,0,0,0,0|0,0,2]=4 15870 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000210581_100000754308 [0,2,0,0,0,0|1,0,0]=3 15871 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210314 [0,2,0,0,0,0|1,0,0]=3 15872 B13R0.280 CCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210314 [0,2,0,0,0,0|1,0,0]=3 15873 B13R0.280 CCCCCCNCCCS(=O)(=O)N 2230a_100000210581_100000750626 [0,2,0,0,0,0|2,0,0]=4 15874 B13R0.280 CCCCCCNCCC[N+](C)(C)C 2230a_100000210581_100016990835 [0,2,0,0,0,0|2,0,0]=4 15875 B13R0.280 CCCCCCNCCC[Si](C)(C)C 2230a_100000210581_100011219597 [0,2,0,0,0,0|1,1,0]=4 15876 B13R0.280 CCCCCCNCCNS(=O)(=O)C 2230a_100000210581_100000754112 [0,2,0,0,0,0|2,0,0]=4 15877 B13R0.280 CCCCCCNCCNS(=O)(=O)C 34a_100000752411_100000210314 [0,2,0,0,0,0|2,0,0]=4 15878 B13R0.280 CCCCCCNCCOS(=O)(=O)C 2230a_100000210581_200000036756 [0,2,0,0,0,0|2,0,0]=4 15879 B13R0.280 CCCCCCOCCCC(C)(C)O 34a_100000210259_100009888830 [0,2,0,0,0,0|0,0,2]=4 15880 B13R0.280 CCCCCCOCCCC(C)(C)O 7a_100000210259_100009888830 [0,2,0,0,0,0|0,0,2]=4 15881 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000210259_100000754308 [0,2,0,0,0,0|1,0,0]=3 15882 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210314 [0,2,0,0,0,0|1,0,0]=3 15883 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000210259_100000754308 [0,2,0,0,0,0|1,0,0]=3 15884 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210314 [0,2,0,0,0,0|1,0,0]=3 15885 B13R0.280 CCCCCCOCCCS(=O)(=O)N 34a_100000210259_100000750626 [0,2,0,0,0,0|2,0,0]=4 15886 B13R0.280 CCCCCCOCCCS(=O)(=O)N 7a_100000210259_100000750626 [0,2,0,0,0,0|2,0,0]=4 15887 B13R0.280 CCCCCCOCCCS(=O)(=O)[O-] 34a_100000210259_100009813499 [0,2,0,0,0,0|2,0,0]=4 15888 B13R0.280 CCCCCCOCCC[N+](C)(C)C 34a_100000210259_100016990835 [0,2,0,0,0,0|2,0,0]=4 15889 B13R0.280 CCCCCCOCCC[N+](C)(C)C 7a_100000210259_100016990835 [0,2,0,0,0,0|2,0,0]=4 15890 B13R0.280 CCCCCCOCCC[Si](C)(C)C 34a_100000210259_100011219597 [0,2,0,0,0,0|1,1,0]=4 15891 B13R0.280 CCCCCCOCCC[Si](C)(C)C 7a_100000210259_100011219597 [0,2,0,0,0,0|1,1,0]=4 15892 B13R0.280 CCCCCCOCCC[Si](C)(C)C 7a_200011215415_100000210314 [0,2,0,0,0,0|1,1,0]=4 15893 B13R0.280 CCCCCCOCCNS(=O)(=O)C 7a_100000210259_100000754112 [0,2,0,0,0,0|2,0,0]=4 15894 B13R0.280 CCCCCCOCCOS(=O)(=O)C 34a_100000210259_200000036756 [0,2,0,0,0,0|2,0,0]=4 15895 B13R0.280 CCCCCCOCCOS(=O)(=O)C 7a_100000210259_200000036756 [0,2,0,0,0,0|2,0,0]=4 15896 B13R0.280 CCCCCCSCCCC(C)(C)O 62a_100000210314_100009888830 [0,2,0,0,0,0|0,0,2]=4 15897 B13R0.280 CCCCCCSCCCC(C)(C)O 62a_100009888830_100000210757 [0,2,0,0,0,0|0,0,2]=4 15898 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000210314_100000754308 [0,2,0,0,0,0|1,0,0]=3 15899 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210757 [0,2,0,0,0,0|1,0,0]=3 15900 B13R0.280 CCCCCCSCCCS(=O)(=O)N 62a_100000210314_100000750626 [0,2,0,0,0,0|2,0,0]=4 15901 B13R0.280 CCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210757 [0,2,0,0,0,0|2,0,0]=4 15902 B13R0.280 CCCCCCSCCCS(=O)(=O)[O-] 62a_100000210314_100009813499 [0,2,0,0,0,0|2,0,0]=4 15903 B13R0.280 CCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210757 [0,2,0,0,0,0|2,0,0]=4 15904 B13R0.280 CCCCCCSCCC[N+](C)(C)C 62a_100000210314_100016990835 [0,2,0,0,0,0|2,0,0]=4 15905 B13R0.280 CCCCCCSCCC[N+](C)(C)C 62a_100016990835_100000210757 [0,2,0,0,0,0|2,0,0]=4 15906 B13R0.280 CCCCCCSCCC[Si](C)(C)C 62a_100000210314_100011219597 [0,2,0,0,0,0|1,1,0]=4 15907 B13R0.280 CCCCCCSCCC[Si](C)(C)C 62a_100011219597_100000210757 [0,2,0,0,0,0|1,1,0]=4 15908 B13R0.280 CCCCCCSCCNS(=O)(=O)C 62a_100000210314_100000754112 [0,2,0,0,0,0|2,0,0]=4 15909 B13R0.280 CCCCCCSCCNS(=O)(=O)C 62a_100000754112_100000210757 [0,2,0,0,0,0|2,0,0]=4 15910 B13R0.280 CCCCCCSCCOS(=O)(=O)C 62a_100000210314_200000036756 [0,2,0,0,0,0|2,0,0]=4 15911 B13R0.280 CCCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210757 [0,2,0,0,0,0|2,0,0]=4 15912 B13R0.280 CCCCCNCCCNS(=O)(=O)C 34a_100000736790_100000718602 [0,2,0,0,0,0|2,0,0]=4 15913 B13R0.280 CCCCCOCCCC[Si](C)(C)C 7a_200009881916_100000210326 [0,2,0,0,0,0|1,1,0]=4 15914 B13R0.280 CCCCNCCCCCC(C)(C)O 2230a_100000102301_100010402123 [0,2,0,0,0,0|0,0,2]=4 15915 B13R0.280 CCCCNCCCCCC(C)(C)O 7a_106832991798_100010402123 [0,2,0,0,0,0|0,0,2]=4 15916 B13R0.280 CCCCNCCCCC[N+](C)(C)C 2230a_100000102301_100009813293 [0,2,0,0,0,0|2,0,0]=4 15917 B13R0.280 CCCCNCCCCC[N+](C)(C)C 7a_106832991798_100009813293 [0,2,0,0,0,0|2,0,0]=4 15918 B13R0.280 CCCCOCCCCCC(C)(C)O 34a_100000210227_100010402123 [0,2,0,0,0,0|0,0,2]=4 15919 B13R0.280 CCCCOCCCCCC(C)(C)O 7a_100000210227_100010402123 [0,2,0,0,0,0|0,0,2]=4 15920 B13R0.280 CCCCOCCCCC[N+](C)(C)C 34a_100000210227_100009813293 [0,2,0,0,0,0|2,0,0]=4 15921 B13R0.280 CCCCOCCCCC[N+](C)(C)C 7a_100000210227_100009813293 [0,2,0,0,0,0|2,0,0]=4 15922 B13R0.280 CCCCOCCNCCS(=O)(=O)C 2230a_100000740961_100000743108 [0,2,0,0,0,0|2,0,0]=4 15923 B13R0.280 CCCCOCCNCCS(=O)(=O)C 34a_100000740961_100000743108 [0,2,0,0,0,0|2,0,0]=4 15924 B13R0.280 CCCCOCCOCCS(=O)(=O)C 34a_100000210238_100000731031 [0,2,0,0,0,0|2,0,0]=4 15925 B13R0.280 CCCCOCCOCCS(=O)(=O)C 34a_100000211924_100000743108 [0,2,0,0,0,0|2,0,0]=4 15926 B13R0.280 CCCCOCCOCCS(=O)(=O)C 7a_100000210238_100000230027 [0,2,0,0,0,0|2,0,0]=4 15927 B13R0.280 CCCCOCCOCCS(=O)(=O)C 7a_100000211924_100000743108 [0,2,0,0,0,0|2,0,0]=4 15928 B13R0.280 CCCCOCCSCCS(=O)(=O)C 62a_100000731031_100000743108 [0,2,0,0,0,0|2,0,0]=4 15929 B13R0.280 CCCCOCCSCCS(=O)(=O)C 62a_100000743108_100000230027 [0,2,0,0,0,0|2,0,0]=4 15930 B13R0.280 CCCCOCNCCCS(=O)(=O)C 2230a_100000742409_100011995733 [0,2,0,0,0,0|2,0,0]=4 15931 B13R0.280 CCCCOCNCCCS(=O)(=O)C 34a_100000742409_100011995733 [0,2,0,0,0,0|2,0,0]=4 15932 B13R0.280 CCCCOCOCCCS(=O)(=O)C 34a_100000689940_100011995733 [0,2,0,0,0,0|2,0,0]=4 15933 B13R0.280 CCCCOCSCCCS(=O)(=O)C 62a_100000754308_100011995733 [0,2,0,0,0,0|2,0,0]=4 15934 B13R0.280 CCCCOCSCCCS(=O)(=O)C 62a_100011995733_100000754308 [0,2,0,0,0,0|2,0,0]=4 15935 B13R0.280 CCCCSCCCCCC(C)(C)O 62a_100000210211_100010402123 [0,2,0,0,0,0|0,0,2]=4 15936 B13R0.280 CCCCSCCCCCC(C)(C)O 62a_100010402123_100000210210 [0,2,0,0,0,0|0,0,2]=4 15937 B13R0.280 CCCCSCCCCC[N+](C)(C)C 62a_100000210211_100009813293 [0,2,0,0,0,0|2,0,0]=4 15938 B13R0.280 CCCCSCCCCC[N+](C)(C)C 62a_100009813293_100000210210 [0,2,0,0,0,0|2,0,0]=4 15939 B13R0.280 CCCCSCCNCCS(=O)(=O)C 2230a_100025743550_100000731031 [0,2,0,0,0,0|2,0,0]=4 15940 B13R0.280 CCCCSCCOCCS(=O)(=O)C 34a_200000230436_100000731031 [0,2,0,0,0,0|2,0,0]=4 15941 B13R0.280 CCCCSCCOCCS(=O)(=O)C 7a_200000230436_100000230027 [0,2,0,0,0,0|2,0,0]=4 15942 B13R0.280 CCCOCCCCCC[N+](C)(C)C 34a_100000210258_100009996864 [0,2,0,0,0,0|2,0,0]=4 15943 B13R0.280 CCCOCCCNCCS(=O)(=O)C 2230a_100011217757_100000731031 [0,2,0,0,0,0|2,0,0]=4 15944 B13R0.280 CCCOCCCNCCS(=O)(=O)C 34a_100011217757_100000731031 [0,2,0,0,0,0|2,0,0]=4 15945 B13R0.280 CCCOCCNCCCS(=O)(=O)C 2230a_100000742409_100011215938 [0,2,0,0,0,0|2,0,0]=4 15946 B13R0.280 CCCOCCNCCCS(=O)(=O)C 2230a_100161115042_100000754308 [0,2,0,0,0,0|2,0,0]=4 15947 B13R0.280 CCCOCCNCCCS(=O)(=O)C 34a_100000742409_100011215938 [0,2,0,0,0,0|2,0,0]=4 15948 B13R0.280 CCCOCCNCCCS(=O)(=O)C 34a_100161115042_100000754308 [0,2,0,0,0,0|2,0,0]=4 15949 B13R0.280 CCCOCCOCCCS(=O)(=O)C 34a_100000689940_100011215938 [0,2,0,0,0,0|2,0,0]=4 15950 B13R0.280 CCCOCCOCCCS(=O)(=O)C 34a_100000752267_100000754308 [0,2,0,0,0,0|2,0,0]=4 15951 B13R0.280 CCCOCCOCCCS(=O)(=O)C 7a_100000689940_100011215938 [0,2,0,0,0,0|2,0,0]=4 15952 B13R0.280 CCCOCCOCCCS(=O)(=O)C 7a_100000752267_100000754308 [0,2,0,0,0,0|2,0,0]=4 15953 B13R0.280 CCCOCCSCCCS(=O)(=O)C 62a_100000754308_100011215938 [0,2,0,0,0,0|2,0,0]=4 15954 B13R0.280 CCCOCCSCCCS(=O)(=O)C 62a_100011215938_100000754308 [0,2,0,0,0,0|2,0,0]=4 15955 B13R0.280 CCCSCCCCCC[N+](C)(C)C 62a_100000210303_100009996864 [0,2,0,0,0,0|2,0,0]=4 15956 B13R0.280 CCCSCCCCCC[N+](C)(C)C 62a_100009996864_100000210303 [0,2,0,0,0,0|2,0,0]=4 15957 B13R0.280 CCCSCCNCCCS(=O)(=O)C 2230a_100020603323_100000754308 [0,2,0,0,0,0|2,0,0]=4 15958 B13R0.280 CCCSCCOCCCS(=O)(=O)C 34a_200000230433_100000754308 [0,2,0,0,0,0|2,0,0]=4 15959 B13R0.280 CCCSCCOCCCS(=O)(=O)C 7a_200000230433_100000754308 [0,2,0,0,0,0|2,0,0]=4 15960 B13R0.280 CCOCCCNCCCS(=O)(=O)C 2230a_100000210961_100000754308 [0,2,0,0,0,0|2,0,0]=4 15961 B13R0.280 CCOCCCNCCCS(=O)(=O)C 2230a_100000742409_100012232248 [0,2,0,0,0,0|2,0,0]=4 15962 B13R0.280 CCOCCCNCCCS(=O)(=O)C 34a_100000210961_100000754308 [0,2,0,0,0,0|2,0,0]=4 15963 B13R0.280 CCOCCCNCCCS(=O)(=O)C 34a_100000742409_100012232248 [0,2,0,0,0,0|2,0,0]=4 15964 B13R0.280 CCOCCCOCCCS(=O)(=O)C 34a_100000689940_100012232248 [0,2,0,0,0,0|2,0,0]=4 15965 B13R0.280 CCOCCCOCCCS(=O)(=O)C 34a_100000757476_100000754308 [0,2,0,0,0,0|2,0,0]=4 15966 B13R0.280 CCOCCCOCCCS(=O)(=O)C 7a_100000689940_100012232248 [0,2,0,0,0,0|2,0,0]=4 15967 B13R0.280 CCOCCCOCCCS(=O)(=O)C 7a_100000757476_100000754308 [0,2,0,0,0,0|2,0,0]=4 15968 B13R0.280 CCOCCCSCCCS(=O)(=O)C 62a_100000754308_100012232248 [0,2,0,0,0,0|2,0,0]=4 15969 B13R0.280 CCOCCCSCCCS(=O)(=O)C 62a_100012232248_100000754308 [0,2,0,0,0,0|2,0,0]=4 15970 B13R0.280 CCSCCCOCCCS(=O)(=O)C 34a_100011216438_100000754308 [0,2,0,0,0,0|2,0,0]=4 15971 B13R0.280 CCSCCCOCCCS(=O)(=O)C 7a_100011216438_100000754308 [0,2,0,0,0,0|2,0,0]=4 15972 B13R0.280 CNCCCCCOCCS(=O)(=O)C 34a_100000722520_100000731031 [0,2,0,0,0,0|2,0,0]=4 15973 B13R0.280 COCCCCCNCCS(=O)(=O)C 2230a_100000747528_100000731031 [0,2,0,0,0,0|2,0,0]=4 15974 B13R0.280 COCCCCCNCCS(=O)(=O)C 34a_100000747528_100000731031 [0,2,0,0,0,0|2,0,0]=4 15975 B13R0.280 COCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000730899 [0,2,0,0,0,0|2,0,0]=4 15976 B13R0.280 COCCCCNCCCS(=O)(=O)C 34a_100000742409_100000755781 [0,2,0,0,0,0|2,0,0]=4 15977 B13R0.280 COCCCCOCCCS(=O)(=O)C 34a_100000689940_100000755781 [0,2,0,0,0,0|2,0,0]=4 15978 B13R0.280 COCCCCOCCCS(=O)(=O)C 34a_100000740925_100000754308 [0,2,0,0,0,0|2,0,0]=4 15979 B13R0.280 COCCCCOCCCS(=O)(=O)C 7a_100000689940_100000730899 [0,2,0,0,0,0|2,0,0]=4 15980 B13R0.280 COCCCCSCCCS(=O)(=O)C 62a_100000730899_100000754308 [0,2,0,0,0,0|2,0,0]=4 15981 B13R0.280 COCCCCSCCCS(=O)(=O)C 62a_100000754308_100000730899 [0,2,0,0,0,0|2,0,0]=4 15982 B13R0.280 CS(=O)(=O)CCCNCCCCCF 2230a_100000742409_100000729378 [0,2,0,0,0,0|2,0,0]=4 15983 B13R0.280 CS(=O)(=O)CCCNCCCCCF 34a_100000742409_100000729378 [0,2,0,0,0,0|2,0,0]=4 15984 B13R0.280 CS(=O)(=O)CCCNCCCCCO 2230a_100000742409_100000746330 [0,2,0,0,0,0|2,0,0]=4 15985 B13R0.280 CS(=O)(=O)CCCNCCCCCO 2230a_100000762737_100000754308 [0,2,0,0,0,0|2,0,0]=4 15986 B13R0.280 CS(=O)(=O)CCCNCCCCCO 34a_100000742409_100000746330 [0,2,0,0,0,0|2,0,0]=4 15987 B13R0.280 CS(=O)(=O)CCCNCCCCCO 34a_100000762737_100000754308 [0,2,0,0,0,0|2,0,0]=4 15988 B13R0.280 CS(=O)(=O)CCCOCCCCCBr 34a_100000746331_100000754308 [0,2,0,0,0,0|2,0,0]=4 15989 B13R0.280 CS(=O)(=O)CCCOCCCCCBr 7a_100000746331_100000754308 [0,2,0,0,0,0|2,0,0]=4 15990 B13R0.280 CS(=O)(=O)CCCOCCCCCCl 34a_100000746330_100000754308 [0,2,0,0,0,0|2,0,0]=4 15991 B13R0.280 CS(=O)(=O)CCCOCCCCCCl 7a_100000746330_100000754308 [0,2,0,0,0,0|2,0,0]=4 15992 B13R0.280 CS(=O)(=O)CCCOCCCCCF 34a_100000689940_100000729378 [0,2,0,0,0,0|2,0,0]=4 15993 B13R0.280 CS(=O)(=O)CCCOCCCCCF 7a_100000689940_100000729378 [0,2,0,0,0,0|2,0,0]=4 15994 B13R0.280 CS(=O)(=O)CCCOCCCCCI 34a_200012148887_100000754308 [0,2,0,0,0,0|2,0,0]=4 15995 B13R0.280 CS(=O)(=O)CCCOCCCCCI 7a_200012148887_100000754308 [0,2,0,0,0,0|2,0,0]=4 15996 B13R0.280 CS(=O)(=O)CCCOCCCCCN 34a_100000762737_100000754308 [0,2,0,0,0,0|2,0,0]=4 15997 B13R0.280 CS(=O)(=O)CCCOCCCCCO 34a_100000689940_100000746330 [0,2,0,0,0,0|2,0,0]=4 15998 B13R0.280 CS(=O)(=O)CCCOCCCCCO 7a_100000689940_100000746330 [0,2,0,0,0,0|2,0,0]=4 15999 B13R0.280 CS(=O)(=O)CCCSCCCCCF 62a_100000729378_100000754308 [0,2,0,0,0,0|2,0,0]=4 16000 B13R0.280 CS(=O)(=O)CCCSCCCCCF 62a_100000754308_100000729378 [0,2,0,0,0,0|2,0,0]=4 16001 B13R0.280 CS(=O)(=O)CCCSCCCCCO 62a_100000746330_100000754308 [0,2,0,0,0,0|2,0,0]=4 16002 B13R0.280 CS(=O)(=O)CCCSCCCCCO 62a_100000754308_100000746330 [0,2,0,0,0,0|2,0,0]=4 16003 B13R0.280 CS(=O)(=O)CCNCCCCCCF 2230a_100000740961_100015922095 [0,2,0,0,0,0|2,0,0]=4 16004 B13R0.280 CS(=O)(=O)CCNCCCCCCF 34a_100000740961_100015922095 [0,2,0,0,0,0|2,0,0]=4 16005 B13R0.280 CS(=O)(=O)CCNCCCCCCO 2230a_100000686447_100000731031 [0,2,0,0,0,0|2,0,0]=4 16006 B13R0.280 CS(=O)(=O)CCNCCCCCCO 2230a_100000740961_100000766143 [0,2,0,0,0,0|2,0,0]=4 16007 B13R0.280 CS(=O)(=O)CCNCCCCCCO 34a_100000686447_100000731031 [0,2,0,0,0,0|2,0,0]=4 16008 B13R0.280 CS(=O)(=O)CCNCCCCCCO 34a_100000740961_100000766143 [0,2,0,0,0,0|2,0,0]=4 16009 B13R0.280 CS(=O)(=O)CCOCCCCCCBr 34a_100011215345_100000731031 [0,2,0,0,0,0|2,0,0]=4 16010 B13R0.280 CS(=O)(=O)CCOCCCCCCBr 7a_100011215345_100000230027 [0,2,0,0,0,0|2,0,0]=4 16011 B13R0.280 CS(=O)(=O)CCOCCCCCCCl 34a_100000766143_100000731031 [0,2,0,0,0,0|2,0,0]=4 16012 B13R0.280 CS(=O)(=O)CCOCCCCCCCl 7a_100000766143_100000230027 [0,2,0,0,0,0|2,0,0]=4 16013 B13R0.280 CS(=O)(=O)CCOCCCCCCF 34a_100000211924_100015922095 [0,2,0,0,0,0|2,0,0]=4 16014 B13R0.280 CS(=O)(=O)CCOCCCCCCF 34a_100000732779_100000731031 [0,2,0,0,0,0|2,0,0]=4 16015 B13R0.280 CS(=O)(=O)CCOCCCCCCF 7a_100000211924_100015922095 [0,2,0,0,0,0|2,0,0]=4 16016 B13R0.280 CS(=O)(=O)CCOCCCCCCF 7a_100000732779_100000230027 [0,2,0,0,0,0|2,0,0]=4 16017 B13R0.280 CS(=O)(=O)CCOCCCCCCN 34a_100000686447_100000731031 [0,2,0,0,0,0|2,0,0]=4 16018 B13R0.280 CS(=O)(=O)CCOCCCCCCO 34a_100000211924_100000766143 [0,2,0,0,0,0|2,0,0]=4 16019 B13R0.280 CS(=O)(=O)CCOCCCCCCO 7a_100000211924_100000766143 [0,2,0,0,0,0|2,0,0]=4 16020 B13R0.280 CS(=O)(=O)CCSCCCCCCF 62a_100000731031_100015922095 [0,2,0,0,0,0|2,0,0]=4 16021 B13R0.280 CS(=O)(=O)CCSCCCCCCF 62a_100015922095_100000230027 [0,2,0,0,0,0|2,0,0]=4 16022 B13R0.280 CS(=O)(=O)CCSCCCCCCO 62a_100000731031_100000766143 [0,2,0,0,0,0|2,0,0]=4 16023 B13R0.280 CS(=O)(=O)CCSCCCCCCO 62a_100000766143_100000230027 [0,2,0,0,0,0|2,0,0]=4 16024 B13R0.280 CS(=O)(=O)NCCCCCCCCO 40a_102515433106_100000738038 [0,2,0,0,0,0|2,0,0]=4 16025 B13R0.280 CSCCCCOCCCS(=O)(=O)C 34a_100011217163_100000754308 [0,2,0,0,0,0|2,0,0]=4 16026 B13R0.280 CSCCCCOCCCS(=O)(=O)C 7a_100011217163_100000754308 [0,2,0,0,0,0|2,0,0]=4 16027 B13R0.431 CCC(C)CCCOCCS(=O)(=O)C 7a_100011216074_100000230027 [0,2,0,0,0,0|2,0,0]=4 16028 B13R0.431 CCC(C)CCNCCCS(=O)(=O)C 2230a_100020591266_100000754308 [0,2,0,0,0,0|2,0,0]=4 16029 B13R0.431 CCC(C)CCOCCCS(=O)(=O)C 7a_100011215188_100000754308 [0,2,0,0,0,0|2,0,0]=4 16030 B13R0.442 C=C(C)COCCCCCC(C)(C)O 34a_100000210245_100010402123 [0,2,0,0,0,0|2,0,0]=4 16031 B13R0.442 C=C(C)CSCCCCCC(C)(C)O 62a_100000748629_100010402123 [0,2,0,0,0,0|2,0,0]=4 16032 B13R0.442 C=C(C)CSCCCCCC(C)(C)O 62a_100010402123_100000211660 [0,2,0,0,0,0|2,0,0]=4 16033 B13R0.442 CC(=O)CCCCNCCC(F)(F)F 34a_100000740434_100009817362 [0,2,0,0,0,0|2,0,0]=4 16034 B13R0.442 CC(=O)CCCCNCCS(=O)(=O)C 34a_100000740961_100009817362 [0,2,0,0,0,0|2,0,0]=4 16035 B13R0.442 CC(=O)CCCCOCCC(C)(C)C 7a_100000765024_100000735457 [0,2,0,0,0,0|1,0,0]=3 16036 B13R0.442 CC(=O)CCCCOCCC(F)(F)F 34a_100000752437_100009817362 [0,2,0,0,0,0|2,0,0]=4 16037 B13R0.442 CC(=O)CCCCOCCS(=O)(=O)C 34a_100000211924_100009817362 [0,2,0,0,0,0|2,0,0]=4 16038 B13R0.442 CC(=O)CCCCOCCS(=O)(=O)C 7a_100000211924_100000735457 [0,2,0,0,0,0|2,0,0]=4 16039 B13R0.442 CC(=O)CCCCOCC[N+](C)(C)C 7a_200020618287_100000735457 [0,2,0,0,0,0|2,0,0]=4 16040 B13R0.442 CC(=O)CCCCOCC[Si](C)(C)C 7a_100000039746_100000735457 [0,2,0,0,0,0|1,1,0]=4 16041 B13R0.442 CC(=O)CCCCSCCC(C)(C)C 62a_100000735457_100000755188 [0,2,0,0,0,0|1,0,0]=3 16042 B13R0.442 CC(=O)CCCCSCCC(C)(C)C 62a_100000755188_100000735457 [0,2,0,0,0,0|1,0,0]=3 16043 B13R0.442 CC(=O)CCCCSCCC(C)(C)O 62a_100000702414_100000735457 [0,2,0,0,0,0|1,0,0]=3 16044 B13R0.442 CC(=O)CCCCSCCC(C)(C)O 62a_100000735457_100000702414 [0,2,0,0,0,0|1,0,0]=3 16045 B13R0.442 CC(=O)CCCCSCCC(F)(F)F 62a_100000735457_100011219754 [0,2,0,0,0,0|2,0,0]=4 16046 B13R0.442 CC(=O)CCCCSCCC(F)(F)F 62a_100011219754_100000735457 [0,2,0,0,0,0|2,0,0]=4 16047 B13R0.442 CC(=O)CCCCSCCS(=O)(=O)C 62a_100000731031_100000735457 [0,2,0,0,0,0|2,0,0]=4 16048 B13R0.442 CC(=O)CCCCSCCS(=O)(=O)C 62a_100000735457_100000230027 [0,2,0,0,0,0|2,0,0]=4 16049 B13R0.442 CC(=O)CCCCSCC[N+](C)(C)C 62a_100000085578_100000735457 [0,2,0,0,0,0|2,0,0]=4 16050 B13R0.442 CC(=O)CCCCSCC[N+](C)(C)C 62a_100000735457_100000085578 [0,2,0,0,0,0|2,0,0]=4 16051 B13R0.442 CC(=O)CCCCSCC[Si](C)(C)C 62a_100000735457_200000733723 [0,2,0,0,0,0|1,1,0]=4 16052 B13R0.442 CC(=O)CCCCSCC[Si](C)(C)C 62a_200000733723_100000735457 [0,2,0,0,0,0|1,1,0]=4 16053 B13R0.442 CC(=O)CCCNCCCC(F)(F)F 34a_100000727188_100000685027 [0,2,0,0,0,0|2,0,0]=4 16054 B13R0.442 CC(=O)CCCNCCCS(=O)(=O)C 34a_100000742409_100000685027 [0,2,0,0,0,0|2,0,0]=4 16055 B13R0.442 CC(=O)CCCOCCCC(C)(C)O 34a_100000759063_100009888830 [0,2,0,0,0,0|1,0,0]=3 16056 B13R0.442 CC(=O)CCCOCCCC(C)(C)O 7a_100000759063_100009888830 [0,2,0,0,0,0|1,0,0]=3 16057 B13R0.442 CC(=O)CCCOCCCC(F)(F)F 34a_100000749235_100000685027 [0,2,0,0,0,0|2,0,0]=4 16058 B13R0.442 CC(=O)CCCOCCCC(F)(F)F 34a_100000759063_100011215983 [0,2,0,0,0,0|2,0,0]=4 16059 B13R0.442 CC(=O)CCCOCCCC(F)(F)F 7a_100000759063_100011216173 [0,2,0,0,0,0|2,0,0]=4 16060 B13R0.442 CC(=O)CCCOCCCS(=O)(=O)C 34a_100000689940_100000685027 [0,2,0,0,0,0|2,0,0]=4 16061 B13R0.442 CC(=O)CCCOCCCS(=O)(=O)C 34a_100000759063_100000754308 [0,2,0,0,0,0|2,0,0]=4 16062 B13R0.442 CC(=O)CCCOCCCS(=O)(=O)C 7a_100000689940_100011215641 [0,2,0,0,0,0|2,0,0]=4 16063 B13R0.442 CC(=O)CCCOCCCS(=O)(=O)C 7a_100000759063_100000754308 [0,2,0,0,0,0|2,0,0]=4 16064 B13R0.442 CC(=O)CCCOCCC[N+](C)(C)C 34a_100000759063_100016990835 [0,2,0,0,0,0|2,0,0]=4 16065 B13R0.442 CC(=O)CCCOCCC[N+](C)(C)C 7a_100000759063_100016990835 [0,2,0,0,0,0|2,0,0]=4 16066 B13R0.442 CC(=O)CCCOCCC[Si](C)(C)C 34a_100000759063_100011219597 [0,2,0,0,0,0|1,1,0]=4 16067 B13R0.442 CC(=O)CCCOCCC[Si](C)(C)C 7a_100000759063_100011219597 [0,2,0,0,0,0|1,1,0]=4 16068 B13R0.442 CC(=O)CCCOCCC[Si](C)(C)C 7a_200011215415_100011215641 [0,2,0,0,0,0|1,1,0]=4 16069 B13R0.442 CC(=O)CCCOCCOC(C)(C)C 34a_100000693234_100000685027 [0,2,0,0,0,0|2,0,0]=4 16070 B13R0.442 CC(=O)CCCOCCOC(C)(C)C 7a_100000693234_100011215641 [0,2,0,0,0,0|2,0,0]=4 16071 B13R0.442 CC(=O)CCCSCCCC(C)(C)O 62a_100009888830_100011215641 [0,2,0,0,0,0|1,0,0]=3 16072 B13R0.442 CC(=O)CCCSCCCC(C)(C)O 62a_100011215641_100009888830 [0,2,0,0,0,0|1,0,0]=3 16073 B13R0.442 CC(=O)CCCSCCCC(F)(F)F 62a_100011215641_100011216173 [0,2,0,0,0,0|2,0,0]=4 16074 B13R0.442 CC(=O)CCCSCCCC(F)(F)F 62a_100011216173_100011215641 [0,2,0,0,0,0|2,0,0]=4 16075 B13R0.442 CC(=O)CCCSCCCS(=O)(=O)C 62a_100000754308_100011215641 [0,2,0,0,0,0|2,0,0]=4 16076 B13R0.442 CC(=O)CCCSCCCS(=O)(=O)C 62a_100011215641_100000754308 [0,2,0,0,0,0|2,0,0]=4 16077 B13R0.442 CC(=O)CCCSCCC[N+](C)(C)C 62a_100011215641_100016990835 [0,2,0,0,0,0|2,0,0]=4 16078 B13R0.442 CC(=O)CCCSCCC[N+](C)(C)C 62a_100016990835_100011215641 [0,2,0,0,0,0|2,0,0]=4 16079 B13R0.442 CC(=O)CCCSCCC[Si](C)(C)C 62a_100011215641_100011219597 [0,2,0,0,0,0|1,1,0]=4 16080 B13R0.442 CC(=O)CCCSCCC[Si](C)(C)C 62a_100011219597_100011215641 [0,2,0,0,0,0|1,1,0]=4 16081 B13R0.442 CC(=O)CCOCCCCC(F)(F)F 34a_100000759926_100000692467 [0,2,0,0,0,0|2,0,0]=4 16082 B13R0.442 CC(=O)CCOCCCCC(F)(F)F 7a_100000749236_100000053229 [0,2,0,0,0,0|2,0,0]=4 16083 B13R0.442 CC(=O)CCOCCCCC(F)(F)F 7a_100000759926_100000692467 [0,2,0,0,0,0|2,0,0]=4 16084 B13R0.442 CC(=O)CCOCCCC[Si](C)(C)C 7a_200009881916_100000053229 [0,2,0,0,0,0|1,1,0]=4 16085 B13R0.442 CC(=O)CCSCCCCC(F)(F)F 62a_100000053229_100000692467 [0,2,0,0,0,0|2,0,0]=4 16086 B13R0.442 CC(=O)CCSCCCCC(F)(F)F 62a_100000692467_100000053229 [0,2,0,0,0,0|2,0,0]=4 16087 B13R0.442 CC(=O)COCCCCCC(C)(C)O 34a_100000211253_100010402123 [0,2,0,0,0,0|1,0,0]=3 16088 B13R0.442 CC(=O)COCCCCCC(F)(F)F 34a_100000211253_100010187589 [0,2,0,0,0,0|2,0,0]=4 16089 B13R0.442 CC(=O)COCCCCC[N+](C)(C)C 34a_100000211253_100009813293 [0,2,0,0,0,0|2,0,0]=4 16090 B13R0.442 CC(=O)NCCCCCNC(C)(C)C 34a_200012022750_100000210625 [0,2,0,0,0,0|2,0,0]=4 16091 B13R0.442 CC(=O)NCCCCNCC(C)(C)C 270004a_200011368371_100011204126 [0,2,0,0,0,0|2,0,0]=4 16092 B13R0.442 CC(=O)NCCCCNCC(C)(C)C 34a_200011368371_100011219605 [0,2,0,0,0,0|2,0,0]=4 16093 B13R0.442 CC(=O)NCCCCNCC(C)(C)F 34a_200011368371_100011997219 [0,2,0,0,0,0|2,0,0]=4 16094 B13R0.442 CC(=O)NCCCCNCC(C)(C)O 34a_200011368371_100000764493 [0,2,0,0,0,0|2,0,0]=4 16095 B13R0.442 CC(=O)NCCCNCCC(C)(C)C 34a_100000736810_100000755188 [0,2,0,0,0,0|2,0,0]=4 16096 B13R0.442 CC(=O)NCCCNCCC(C)(C)O 34a_100000736810_100000702414 [0,2,0,0,0,0|2,0,0]=4 16097 B13R0.442 CC(=O)NCCCOCCC(C)(C)C 34a_100000752032_100000755188 [0,2,0,0,0,0|2,0,0]=4 16098 B13R0.442 CC(=O)NCCCOCCC(C)(C)O 34a_100000752032_100000702414 [0,2,0,0,0,0|2,0,0]=4 16099 B13R0.442 CC(=O)NCCNCCCC(C)(C)O 2230a_100000209853_100009888830 [0,2,0,0,0,0|2,0,0]=4 16100 B13R0.442 CC(=O)NCCOCCCC(C)(C)O 34a_100000158858_100009888830 [0,2,0,0,0,0|2,0,0]=4 16101 B13R0.442 CC(=O)NCCSCCCC(C)(C)O 62a_100000189650_100009888830 [0,2,0,0,0,0|2,0,0]=4 16102 B13R0.442 CC(=O)NCCSCCCC(C)(C)O 62a_100009888830_100000189650 [0,2,0,0,0,0|2,0,0]=4 16103 B13R0.442 CC(=O)OCCCCCNC(C)(C)C 2230a_100000715429_100009813381 [0,2,0,0,0,0|2,0,0]=4 16104 B13R0.442 CC(=O)OCCCCCOC(C)(C)C 34a_100015890283_100000033007 [0,2,0,0,0,0|2,0,0]=4 16105 B13R0.442 CC(=O)OCCCCCOC(C)(C)C 7a_100015890283_100000033007 [0,2,0,0,0,0|2,0,0]=4 16106 B13R0.442 CC(=O)OCCCCCSC(C)(C)C 62a_100000033007_100000211941 [0,2,0,0,0,0|2,0,0]=4 16107 B13R0.442 CC(=O)OCCCCCSC(C)(C)C 62a_100000211941_100000033007 [0,2,0,0,0,0|2,0,0]=4 16108 B13R0.442 CC(=O)OCCCCOCC(C)(C)C 34a_100000073216_100011219605 [0,2,0,0,0,0|2,0,0]=4 16109 B13R0.442 CC(=O)OCCCCOCC(C)(C)F 34a_100000073216_100011997219 [0,2,0,0,0,0|2,0,0]=4 16110 B13R0.442 CC(=O)OCCCCOCC(C)(C)F 34a_100000716592_100000033659 [0,2,0,0,0,0|2,0,0]=4 16111 B13R0.442 CC(=O)OCCCCOCC(C)(C)O 34a_100000073216_100000764493 [0,2,0,0,0,0|2,0,0]=4 16112 B13R0.442 CC(=O)OCCCCOCC(C)(C)O 7a_100000073216_100000764493 [0,2,0,0,0,0|2,0,0]=4 16113 B13R0.442 CC(=O)OCCCCOCC(C)(F)F 34a_100000068830_100000033659 [0,2,0,0,0,0|2,0,0]=4 16114 B13R0.442 CC(=O)OCCCCSCC(C)(C)C 62a_100000033659_100011219605 [0,2,0,0,0,0|2,0,0]=4 16115 B13R0.442 CC(=O)OCCCCSCC(C)(C)C 62a_100011219605_100000033659 [0,2,0,0,0,0|2,0,0]=4 16116 B13R0.442 CC(=O)OCCCCSCC(C)(C)F 62a_100000033659_100011997219 [0,2,0,0,0,0|2,0,0]=4 16117 B13R0.442 CC(=O)OCCCCSCC(C)(C)F 62a_100011997219_100000033659 [0,2,0,0,0,0|2,0,0]=4 16118 B13R0.442 CC(=O)OCCCCSCC(C)(C)O 62a_100000033659_100000764493 [0,2,0,0,0,0|2,0,0]=4 16119 B13R0.442 CC(=O)OCCCCSCC(C)(C)O 62a_100000764493_100000033659 [0,2,0,0,0,0|2,0,0]=4 16120 B13R0.442 CC(=O)OCCCOCCC(C)(C)C 7a_100000765024_100000042594 [0,2,0,0,0,0|2,0,0]=4 16121 B13R0.442 CC(=O)OCCCSCCC(C)(C)C 62a_100000042594_100000755188 [0,2,0,0,0,0|2,0,0]=4 16122 B13R0.442 CC(=O)OCCCSCCC(C)(C)C 62a_100000755188_100000042594 [0,2,0,0,0,0|2,0,0]=4 16123 B13R0.442 CC(=O)OCCCSCCC(C)(C)O 62a_100000042594_100000702414 [0,2,0,0,0,0|2,0,0]=4 16124 B13R0.442 CC(=O)OCCCSCCC(C)(C)O 62a_100000702414_100000042594 [0,2,0,0,0,0|2,0,0]=4 16125 B13R0.442 CC(=O)OCCSCCCC(C)(C)O 62a_100009814007_100009888830 [0,2,0,0,0,0|2,0,0]=4 16126 B13R0.442 CC(=O)OCCSCCCC(C)(C)O 62a_100009888830_100009814007 [0,2,0,0,0,0|2,0,0]=4 16127 B13R0.442 CC(=O)SCCCCNCC(C)(C)C 2230a_100000743828_200010402107 [0,2,0,0,0,0|2,0,0]=4 16128 B13R0.442 CC(=O)SCCCCNCC(C)(C)F 2230a_100020643315_200010402107 [0,2,0,0,0,0|2,0,0]=4 16129 B13R0.442 CC(=O)SCCCCNCC(C)(C)O 2230a_100000751335_200010402107 [0,2,0,0,0,0|2,0,0]=4 16130 B13R0.442 CC(=O)SCCCCOCC(C)(C)F 34a_100000716592_200010402107 [0,2,0,0,0,0|2,0,0]=4 16131 B13R0.442 CC(=O)SCCCCOCC(C)(F)F 34a_100000068830_200010402107 [0,2,0,0,0,0|2,0,0]=4 16132 B13R0.442 CC(=O)SCCCCSCC(C)(C)C 62a_100011219605_200010402107 [0,2,0,0,0,0|2,0,0]=4 16133 B13R0.442 CC(=O)SCCCCSCC(C)(C)C 62a_200010402107_100011219605 [0,2,0,0,0,0|2,0,0]=4 16134 B13R0.442 CC(=O)SCCCCSCC(C)(C)F 62a_100011997219_200010402107 [0,2,0,0,0,0|2,0,0]=4 16135 B13R0.442 CC(=O)SCCCCSCC(C)(C)F 62a_200010402107_100011997219 [0,2,0,0,0,0|2,0,0]=4 16136 B13R0.442 CC(=O)SCCCCSCC(C)(C)O 62a_100000764493_200010402107 [0,2,0,0,0,0|2,0,0]=4 16137 B13R0.442 CC(=O)SCCCCSCC(C)(C)O 62a_200010402107_100000764493 [0,2,0,0,0,0|2,0,0]=4 16138 B13R0.442 CC(=O)SCCCNCCC(C)(C)C 2230a_100000738805_100000038929 [0,2,0,0,0,0|2,0,0]=4 16139 B13R0.442 CC(=O)SCCCNCCC(C)(C)F 2230a_100016253952_100000038929 [0,2,0,0,0,0|2,0,0]=4 16140 B13R0.442 CC(=O)SCCCOCCC(C)(C)C 7a_100000765024_100000038929 [0,2,0,0,0,0|2,0,0]=4 16141 B13R0.442 CC(=O)SCCCSCCC(C)(C)C 62a_100000038929_100000755188 [0,2,0,0,0,0|2,0,0]=4 16142 B13R0.442 CC(=O)SCCCSCCC(C)(C)C 62a_100000755188_100000038929 [0,2,0,0,0,0|2,0,0]=4 16143 B13R0.442 CC(=O)SCCCSCCC(C)(C)O 62a_100000038929_100000702414 [0,2,0,0,0,0|2,0,0]=4 16144 B13R0.442 CC(=O)SCCCSCCC(C)(C)O 62a_100000702414_100000038929 [0,2,0,0,0,0|2,0,0]=4 16145 B13R0.442 CC(C)(C)CCNCCCCC(=O)N 34a_100000696515_100000755188 [0,2,0,0,0,0|2,0,0]=4 16146 B13R0.442 CC(C)(C)CCOCCCCC(=O)N 34a_100012022536_100000755188 [0,2,0,0,0,0|2,0,0]=4 16147 B13R0.442 CC(C)(C)CCOCCCCC(=O)N 7a_100012022536_100000755188 [0,2,0,0,0,0|2,0,0]=4 16148 B13R0.442 CC(C)(C)CNCCCCCC(=O)N 2230a_100000743828_100009817443 [0,2,0,0,0,0|2,0,0]=4 16149 B13R0.442 CC(C)(C)COCCCCCC(=O)N 34a_100000123541_100011219605 [0,2,0,0,0,0|2,0,0]=4 16150 B13R0.442 CC(C)(C)CSCCCCCC(=O)N 62a_100009817443_100011219605 [0,2,0,0,0,0|2,0,0]=4 16151 B13R0.442 CC(C)(C)CSCCCCCC(=O)N 62a_100011219605_100009817443 [0,2,0,0,0,0|2,0,0]=4 16152 B13R0.442 CC(C)(F)CNCCCCCC(=O)N 2230a_100020643315_100009817443 [0,2,0,0,0,0|2,0,0]=4 16153 B13R0.442 CC(C)(F)COCCCCCC(=O)N 34a_100000123541_100011997219 [0,2,0,0,0,0|2,0,0]=4 16154 B13R0.442 CC(C)(F)COCCCCCC(=O)N 34a_100000716592_100009817443 [0,2,0,0,0,0|2,0,0]=4 16155 B13R0.442 CC(C)(F)CSCCCCCC(=O)N 62a_100009817443_100011997219 [0,2,0,0,0,0|2,0,0]=4 16156 B13R0.442 CC(C)(F)CSCCCCCC(=O)N 62a_100011997219_100009817443 [0,2,0,0,0,0|2,0,0]=4 16157 B13R0.442 CC(C)(O)CCCCCNCC(=O)N 2230a_100000711301_100010402123 [0,2,0,0,0,0|2,0,0]=4 16158 B13R0.442 CC(C)(O)CCCCCNCC(=O)O 269956a_100016091260_100010402123 [0,2,0,0,0,0|2,0,0]=4 16159 B13R0.442 CC(C)(O)CCCCCSCC(=O)N 62a_100000747473_100010402123 [0,2,0,0,0,0|2,0,0]=4 16160 B13R0.442 CC(C)(O)CCCCCSCC(=O)N 62a_100010402123_100000747473 [0,2,0,0,0,0|2,0,0]=4 16161 B13R0.442 CC(C)(O)CCCCCSCC(=O)[O-] 62a_100010402123_100020667443 [0,2,0,0,0,0|2,0,0]=4 16162 B13R0.442 CC(C)(O)CCCCCSCC(=O)[O-] 62a_100020667443_100010402123 [0,2,0,0,0,0|2,0,0]=4 16163 B13R0.442 CC(C)(O)CCCNCCCC(=O)N 34a_100000739312_100009888830 [0,2,0,0,0,0|2,0,0]=4 16164 B13R0.442 CC(C)(O)CCCSCCCC(=O)N 62a_100009888830_100102525003 [0,2,0,0,0,0|2,0,0]=4 16165 B13R0.442 CC(C)(O)CCCSCCCC(=O)N 62a_100102525003_100009888830 [0,2,0,0,0,0|2,0,0]=4 16166 B13R0.442 CC(C)(O)CCNCCCCC(=O)N 34a_100000696515_100000702414 [0,2,0,0,0,0|2,0,0]=4 16167 B13R0.442 CC(C)(O)CCOCCCCC(=O)N 34a_100012022536_100000702414 [0,2,0,0,0,0|2,0,0]=4 16168 B13R0.442 CC(C)(O)CCOCCCCC(=O)N 7a_100012022536_100000702414 [0,2,0,0,0,0|2,0,0]=4 16169 B13R0.442 CC(C)(O)CNCCCCCC(=O)N 2230a_100000751335_100009817443 [0,2,0,0,0,0|2,0,0]=4 16170 B13R0.442 CC(C)(O)COCCCCCC(=O)N 34a_100000123541_100000764493 [0,2,0,0,0,0|2,0,0]=4 16171 B13R0.442 CC(C)(O)COCCCCCC(=O)N 7a_100000123541_100000764493 [0,2,0,0,0,0|2,0,0]=4 16172 B13R0.442 CC(C)(O)COCCCCCC(=O)[O-] 7a_100102619762_100000764493 [0,2,0,0,0,0|2,0,0]=4 16173 B13R0.442 CC(C)(O)CSCCCCCC(=O)N 62a_100000764493_100009817443 [0,2,0,0,0,0|2,0,0]=4 16174 B13R0.442 CC(C)(O)CSCCCCCC(=O)N 62a_100009817443_100000764493 [0,2,0,0,0,0|2,0,0]=4 16175 B13R0.442 CC(C)CCCCCCNS(=O)(=O)C 40a_100000211014_100000738038 [0,2,0,0,0,0|2,0,0]=4 16176 B13R0.442 CC(C)CCCCNCCS(=O)(=O)C 2230a_100000740961_100011216152 [0,2,0,0,0,0|2,0,0]=4 16177 B13R0.442 CC(C)CCCCNCCS(=O)(=O)C 34a_100000740961_100011216152 [0,2,0,0,0,0|2,0,0]=4 16178 B13R0.442 CC(C)CCCCOCCS(=O)(=O)C 34a_100000211924_100011216152 [0,2,0,0,0,0|2,0,0]=4 16179 B13R0.442 CC(C)CCCCOCCS(=O)(=O)C 34a_100011214890_100000731031 [0,2,0,0,0,0|2,0,0]=4 16180 B13R0.442 CC(C)CCCCOCCS(=O)(=O)C 7a_100000211924_100011216152 [0,2,0,0,0,0|2,0,0]=4 16181 B13R0.442 CC(C)CCCCOCCS(=O)(=O)C 7a_100011214890_100000230027 [0,2,0,0,0,0|2,0,0]=4 16182 B13R0.442 CC(C)CCCCSCCS(=O)(=O)C 62a_100000731031_100011216152 [0,2,0,0,0,0|2,0,0]=4 16183 B13R0.442 CC(C)CCCCSCCS(=O)(=O)C 62a_100011216152_100000230027 [0,2,0,0,0,0|2,0,0]=4 16184 B13R0.442 CC(C)CCCNCCCS(=O)(=O)C 2230a_100000742409_100011214892 [0,2,0,0,0,0|2,0,0]=4 16185 B13R0.442 CC(C)CCCNCCCS(=O)(=O)C 2230a_200000737386_100000754308 [0,2,0,0,0,0|2,0,0]=4 16186 B13R0.442 CC(C)CCCNCCCS(=O)(=O)C 34a_100000742409_100011214892 [0,2,0,0,0,0|2,0,0]=4 16187 B13R0.442 CC(C)CCCNCCCS(=O)(=O)C 34a_200000737386_100000754308 [0,2,0,0,0,0|2,0,0]=4 16188 B13R0.442 CC(C)CCCOCCCS(=O)(=O)C 34a_100000210774_100000754308 [0,2,0,0,0,0|2,0,0]=4 16189 B13R0.442 CC(C)CCCOCCCS(=O)(=O)C 34a_100000689940_100011214892 [0,2,0,0,0,0|2,0,0]=4 16190 B13R0.442 CC(C)CCCOCCCS(=O)(=O)C 7a_100000210774_100000754308 [0,2,0,0,0,0|2,0,0]=4 16191 B13R0.442 CC(C)CCCOCCCS(=O)(=O)C 7a_100000689940_100011214892 [0,2,0,0,0,0|2,0,0]=4 16192 B13R0.442 CC(C)CCCSCCCS(=O)(=O)C 62a_100000754308_100011214892 [0,2,0,0,0,0|2,0,0]=4 16193 B13R0.442 CC(C)CCCSCCCS(=O)(=O)C 62a_100011214892_100000754308 [0,2,0,0,0,0|2,0,0]=4 16194 B13R0.442 CC(F)(F)COCCCCCC(=O)N 34a_100000068830_100009817443 [0,2,0,0,0,0|2,0,0]=4 16195 B13R0.442 CC(O)CCCNCCCS(=O)(=O)C 2230a_100000742409_200000718107 [0,2,0,0,0,0|2,0,0]=4 16196 B13R0.442 CC(O)CCCNCCCS(=O)(=O)C 34a_100000742409_200000718107 [0,2,0,0,0,0|2,0,0]=4 16197 B13R0.442 CC(O)CCCOCCCS(=O)(=O)C 34a_100000689940_200000718107 [0,2,0,0,0,0|2,0,0]=4 16198 B13R0.442 CC(O)CCCOCCCS(=O)(=O)C 7a_100000689940_200000718107 [0,2,0,0,0,0|2,0,0]=4 16199 B13R0.442 CC(O)CCCSCCCS(=O)(=O)C 62a_100000754308_200000718107 [0,2,0,0,0,0|2,0,0]=4 16200 B13R0.442 CC(O)CCCSCCCS(=O)(=O)C 62a_200000718107_100000754308 [0,2,0,0,0,0|2,0,0]=4 16201 B13R0.442 CS(=O)CCCNCCCC(C)(C)O 2230a_200000753449_100009888830 [0,2,0,0,0,0|2,0,0]=4 16202 B13R0.1172 CCCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210757 [0,2,0,0,0,0|1,0,1]=4 16203 B13R0.1172 CCCCCCC(=O)CCS(=O)(=O)C 1458a_100102632555_100000731031 [0,2,0,0,0,0|1,0,1]=4 16204 B13R0.1172 CCCCCCN(C)CCS(=O)(=O)C 2230a_100000750128_100000210314 [0,2,0,0,0,0|2,0,0]=4 16205 B13R0.1172 CCCCCCN(C)CCS(=O)(=O)C 2230a_106256046315_100000731031 [0,2,0,0,0,0|2,0,0]=4 16206 B13R0.1172 CCCCCCN(C)CCS(=O)(=O)C 269982a_100000750128_100000210757 [0,2,0,0,0,0|2,0,0]=4 16207 B13R0.1172 CCCCCCN(C)CCS(=O)(=O)C 269982a_106256046315_100000731031 [0,2,0,0,0,0|2,0,0]=4 16208 B13R0.1172 CCCCCCN(C)CCS(=O)(=O)C 34a_100000750128_100000210314 [0,2,0,0,0,0|2,0,0]=4 16209 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 270084a_100000229939_100000211323 [0,2,0,0,0,0|2,0,0]=4 16210 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 274078a_100000229939_100000211323 [0,2,0,0,0,0|2,0,0]=4 16211 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 40a_100000229939_100000053943 [0,2,0,0,0,0|2,0,0]=4 16212 B13R0.1215 CCCCCCCCNS(=O)(=O)CCl 270084a_100000229939_100000031410 [0,2,0,0,0,0|2,0,0]=4 16213 B13R0.1215 CCCCCCCCNS(=O)(=O)CCl 274078a_100000229939_100000031410 [0,2,0,0,0,0|2,0,0]=4 16214 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 2230a_100000210581_100000756660 [0,2,0,0,0,0|2,0,0]=4 16215 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210314 [0,2,0,0,0,0|2,0,0]=4 16216 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 34a_100000751051_100000210314 [0,2,0,0,0,0|2,0,0]=4 16217 B13R0.1215 CCCCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210314 [0,2,0,0,0,0|2,0,0]=4 16218 B13R0.1215 CCCCCCNCCS(=O)(=O)NC 34a_100000710037_100000210314 [0,2,0,0,0,0|2,0,0]=4 16219 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 34a_100000210259_100000756660 [0,2,0,0,0,0|2,0,0]=4 16220 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 34a_200011216379_100000210314 [0,2,0,0,0,0|2,0,0]=4 16221 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 7a_100000210259_100000756660 [0,2,0,0,0,0|2,0,0]=4 16222 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210314 [0,2,0,0,0,0|2,0,0]=4 16223 B13R0.1215 CCCCCCSCCS(=O)(=O)CC 62a_100000210314_100000756660 [0,2,0,0,0,0|2,0,0]=4 16224 B13R0.1215 CCCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210757 [0,2,0,0,0,0|2,0,0]=4 16225 B13R0.88 C=C(C)CCOCCCC(C)CCC 34a_100011713154_100000730704 [0,2,0,0,0,0|1,0,0]=3 16226 B13R0.88 C=C(C)CCOCCCC(C)CCC 7a_100011713154_100000730704 [0,2,0,0,0,0|1,0,0]=3 16227 B13R0.88 C=CCC(C)COCCCCC(=O)C 34a_100009832082_100009817362 [0,2,0,0,0,0|0,0,2]=4 16228 B13R0.88 C=CCC(C)COCCCCC(=O)C 7a_100009832082_100000735457 [0,2,0,0,0,0|0,0,2]=4 16229 B13R0.88 C=CC[C@@H](N)COCCCCC(=O)C 34a_100020615467_100009817362 [0,2,0,0,0,0|0,0,2]=4 16230 B13R0.88 CC(=O)CCCCOCC(C)CCN 34a_106354213184_100009817362 [0,2,0,0,0,0|1,0,0]=3 16231 B13R0.88 CC(=O)CCCCSC[C@@H](O)CC#N 62a_100000001066_100000735457 [0,2,0,0,0,0|1,0,1]=4 16232 B13R0.88 CC(=O)CCCCSC[C@@H](O)CC#N 62a_100000735457_100000001066 [0,2,0,0,0,0|1,0,1]=4 16233 B13R0.88 CC(=O)NCCCCCC(=O)CCF 1458a_100000183861_100011217306 [0,2,0,0,0,0|1,0,1]=4 16234 B13R0.88 CC(=O)NCCCCCC(=O)CCO 1458a_100000183861_100000211926 [0,2,0,0,0,0|1,0,1]=4 16235 B13R0.88 CC(=O)NCCCCNC(C)CCO 2230a_200011368371_100009893172 [0,2,0,0,0,0|2,0,0]=4 16236 B13R0.88 CC(=O)NCCCCNC(C)CCO 34a_200011368371_100009893172 [0,2,0,0,0,0|2,0,0]=4 16237 B13R0.88 CC(=O)OCCCCCC(=O)CCO 1458a_100011216618_100000033007 [0,2,0,0,0,0|1,0,1]=4 16238 B13R0.88 CC(=O)OCCCCCN(C)CCO 2230a_100000210263_100009813381 [0,2,0,0,0,0|2,0,0]=4 16239 B13R0.88 CC(=O)OCCCCCN(C)CCO 269982a_100000210263_100000033007 [0,2,0,0,0,0|2,0,0]=4 16240 B13R0.88 CC(=O)OCCCCN[C@H](C)CCO 34a_100000706166_100000033659 [0,2,0,0,0,0|2,0,0]=4 16241 B13R0.88 CC(=O)OCCCCOC(C)CCBr 34a_100012276601_100000033659 [0,2,0,0,0,0|2,0,0]=4 16242 B13R0.88 CC(=O)OCCCCOC(C)CCO 34a_100000073216_100009893172 [0,2,0,0,0,0|2,0,0]=4 16243 B13R0.88 CC(=O)OCCCCOC(C)CCO 7a_100000073216_100009893172 [0,2,0,0,0,0|2,0,0]=4 16244 B13R0.88 CC(=O)OCCCCSC(C)CCO 62a_100000033659_100009893172 [0,2,0,0,0,0|2,0,0]=4 16245 B13R0.88 CC(=O)OCCCCSC(C)CCO 62a_100009893172_100000033659 [0,2,0,0,0,0|2,0,0]=4 16246 B13R0.88 CC(=O)OCCCOCC(C)CCN 34a_106354213184_100000042594 [0,2,0,0,0,0|2,0,0]=4 16247 B13R0.88 CC(=O)SCCCCN[C@H](C)CCO 2230a_100000706166_200010402107 [0,2,0,0,0,0|2,0,0]=4 16248 B13R0.88 CC(=O)SCCCCN[C@H](C)CCO 34a_100000706166_200010402107 [0,2,0,0,0,0|2,0,0]=4 16249 B13R0.88 CC(=O)SCCCCOC(C)CCBr 34a_100012276601_200010402107 [0,2,0,0,0,0|2,0,0]=4 16250 B13R0.88 CC(=O)SCCCCSC(C)CCO 62a_100009893172_200010402107 [0,2,0,0,0,0|2,0,0]=4 16251 B13R0.88 CC(=O)SCCCCSC(C)CCO 62a_200010402107_100009893172 [0,2,0,0,0,0|2,0,0]=4 16252 B13R0.88 CC(=O)SCCCOCC(C)CCN 34a_106354213184_100000038929 [0,2,0,0,0,0|2,0,0]=4 16253 B13R0.88 CC(CCBr)OCCCCCC(=O)N 34a_100012276601_100009817443 [0,2,0,0,0,0|2,0,0]=4 16254 B13R0.88 CC(CCO)OCCCCCC(=O)N 34a_100000123541_100009893172 [0,2,0,0,0,0|2,0,0]=4 16255 B13R0.88 CC(CCO)OCCCCCC(=O)N 7a_100000123541_100009893172 [0,2,0,0,0,0|2,0,0]=4 16256 B13R0.88 CC(CCO)OCCCCCC(=O)[O-] 7a_100102619762_100009893172 [0,2,0,0,0,0|2,0,0]=4 16257 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009817443_100009893172 [0,2,0,0,0,0|2,0,0]=4 16258 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009893172_100009817443 [0,2,0,0,0,0|2,0,0]=4 16259 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [0,2,0,0,0,0|1,0,1]=4 16260 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [0,2,0,0,0,0|0,0,1]=3 16261 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [0,2,0,0,0,0|0,0,1]=3 16262 B13R0.88 CCCC(=O)CCOCCOC(=O)C 1458a_100000211992_200000083610 [0,2,0,0,0,0|1,0,1]=4 16263 B13R0.88 CCCC(=O)COCCCCC(=O)N 7a_100012022536_100000747444 [0,2,0,0,0,0|1,0,1]=4 16264 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [0,2,0,0,0,0|0,0,1]=3 16265 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [0,2,0,0,0,0|0,0,1]=3 16266 B13R0.88 CCCC(=O)CSCCCOC(=O)C 62a_100000042594_100000747444 [0,2,0,0,0,0|1,0,1]=4 16267 B13R0.88 CCCC(=O)CSCCCOC(=O)C 62a_100000747444_100000042594 [0,2,0,0,0,0|1,0,1]=4 16268 B13R0.88 CCCC(=O)CSCCCSC(=O)C 62a_100000038929_100000747444 [0,2,0,0,0,0|1,0,1]=4 16269 B13R0.88 CCCC(=O)CSCCCSC(=O)C 62a_100000747444_100000038929 [0,2,0,0,0,0|1,0,1]=4 16270 B13R0.88 CCCC(=O)NCCCCNC(=O)C 11a_200011368371_100000211992 [0,2,0,0,0,0|1,0,1]=4 16271 B13R0.88 CCCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000211992 [0,2,0,0,0,0|1,0,1]=4 16272 B13R0.88 CCCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000211992 [0,2,0,0,0,0|1,0,1]=4 16273 B13R0.88 CCCC(=O)NCCCCNC(=O)C 527a_200011368371_100000211992 [0,2,0,0,0,0|1,0,1]=4 16274 B13R0.88 CCCC(=O)OCOCCCC(=O)C 34a_100000759063_100000034017 [0,2,0,0,0,0|1,0,1]=4 16275 B13R0.88 CCCC(=O)OCSCCCC(=O)C 62a_100011215641_100000034017 [0,2,0,0,0,0|1,0,1]=4 16276 B13R0.88 CCCC(C)CCCOCC=C(C)C 34a_100011713154_100000761012 [0,2,0,0,0,0|1,0,1]=4 16277 B13R0.88 CCCC(C)CCCOCC=C(C)C 7a_100011713154_100000761012 [0,2,0,0,0,0|1,0,1]=4 16278 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [0,2,0,0,0,0|0,0,0]=2 16279 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [0,2,0,0,0,0|1,0,0]=3 16280 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [0,2,0,0,0,0|1,0,0]=3 16281 B13R0.88 CCCC(C)CCCOCCC(C)C 34a_100011713154_100000210312 [0,2,0,0,0,0|1,0,1]=4 16282 B13R0.88 CCCC(C)CCCOCCC(C)C 7a_100011713154_100000210626 [0,2,0,0,0,0|1,0,1]=4 16283 B13R0.88 CCCC(C)CCCOCCC(C)O 34a_100011713154_100012276601 [0,2,0,0,0,0|0,0,2]=4 16284 B13R0.88 CCCC(C)CCCOCCC(C)O 7a_100011713154_100012276601 [0,2,0,0,0,0|0,0,2]=4 16285 B13R0.88 CCCC(C)CCCOCCN(C)C 7a_100011713154_100000755713 [0,2,0,0,0,0|2,0,0]=4 16286 B13R0.88 CCCC(C)CCCOCOC(=O)C 34a_100011713154_100009813279 [0,2,0,0,0,0|1,0,0]=3 16287 B13R0.88 CCCC(C)CCOCCC=C(C)C 34a_100011217855_100011217483 [0,2,0,0,0,0|1,0,1]=4 16288 B13R0.88 CCCC(C)CCOCCC=C(C)C 7a_100011217855_100011217483 [0,2,0,0,0,0|1,0,1]=4 16289 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [0,2,0,0,0,0|0,0,0]=2 16290 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [0,2,0,0,0,0|0,0,0]=2 16291 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [0,2,0,0,0,0|1,0,0]=3 16292 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [0,2,0,0,0,0|1,0,0]=3 16293 B13R0.88 CCCC(C)CCOCCCC(C)C 34a_100011217855_100011214892 [0,2,0,0,0,0|1,0,1]=4 16294 B13R0.88 CCCC(C)CCOCCCC(C)C 7a_100011217855_100011214892 [0,2,0,0,0,0|1,0,1]=4 16295 B13R0.88 CCCC(C)CCOCCCC(C)O 34a_100011217855_200000718107 [0,2,0,0,0,0|0,0,2]=4 16296 B13R0.88 CCCC(C)CCOCCCC(C)O 7a_100011217855_200000718107 [0,2,0,0,0,0|0,0,2]=4 16297 B13R0.88 CCCC(C)CCOCCCN(C)C 7a_100011217855_100000757444 [0,2,0,0,0,0|2,0,0]=4 16298 B13R0.88 CCCC(C)CCOCCNC(=O)C 7a_100011217855_100000189650 [0,2,0,0,0,0|1,0,0]=3 16299 B13R0.88 CCCC(C)CCOCCNC(=O)N 7a_100011217855_200000034859 [0,2,0,0,0,0|2,0,0]=4 16300 B13R0.88 CCCC(C)CCOCCOC(=O)C 34a_100011217855_100009814007 [0,2,0,0,0,0|1,0,0]=3 16301 B13R0.88 CCCC(C)CCOCCOC(=O)C 7a_100011217855_100009814007 [0,2,0,0,0,0|1,0,0]=3 16302 B13R0.88 CCCC(C)CCOCCOC(=O)N 34a_100011217855_200011214921 [0,2,0,0,0,0|2,0,0]=4 16303 B13R0.88 CCCC(C)CCOCCOC(=O)N 7a_100011217855_200011214921 [0,2,0,0,0,0|2,0,0]=4 16304 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [0,2,0,0,0,0|1,0,0]=3 16305 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [0,2,0,0,0,0|1,0,0]=3 16306 B13R0.88 CCCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243154 [0,2,0,0,0,0|1,0,0]=3 16307 B13R0.88 CCCC(C)CNCCCNC(=O)C 34a_100000736810_100011216630 [0,2,0,0,0,0|1,0,0]=3 16308 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,2,0,0,0,0|2,0,0]=4 16309 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [0,2,0,0,0,0|0,0,0]=2 16310 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [0,2,0,0,0,0|0,0,0]=2 16311 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [0,2,0,0,0,0|1,0,0]=3 16312 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [0,2,0,0,0,0|1,0,0]=3 16313 B13R0.88 CCCC(C)COCCCCC(C)C 34a_100000688023_100011216152 [0,2,0,0,0,0|1,0,1]=4 16314 B13R0.88 CCCC(C)COCCCCC(C)C 34a_100011214890_100011216630 [0,2,0,0,0,0|1,0,1]=4 16315 B13R0.88 CCCC(C)COCCCCC(C)C 7a_100000688023_100011216152 [0,2,0,0,0,0|1,0,1]=4 16316 B13R0.88 CCCC(C)COCCCCC(C)C 7a_100011214890_100011216630 [0,2,0,0,0,0|1,0,1]=4 16317 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100011216630 [0,2,0,0,0,0|2,0,0]=4 16318 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100011216630 [0,2,0,0,0,0|2,0,0]=4 16319 B13R0.88 CCCC(C)COCCCNC(=O)C 34a_100000752032_100011216630 [0,2,0,0,0,0|1,0,0]=3 16320 B13R0.88 CCCC(C)COCCCOC(=O)C 34a_100000688023_100000042594 [0,2,0,0,0,0|1,0,0]=3 16321 B13R0.88 CCCC(C)COCCCOC(=O)C 7a_100000688023_100000042594 [0,2,0,0,0,0|1,0,0]=3 16322 B13R0.88 CCCC(C)COCCCOC(=S)C 34a_100000688023_200135323944 [0,2,0,0,0,0|1,1,0]=4 16323 B13R0.88 CCCC(C)COCCCOC(=S)C 7a_100000688023_200135323944 [0,2,0,0,0,0|1,1,0]=4 16324 B13R0.88 CCCC(C)COCCCSC(=O)C 34a_100000688023_100000038929 [0,2,0,0,0,0|1,0,0]=3 16325 B13R0.88 CCCC(C)COCCCSC(=O)C 7a_100000688023_100000038929 [0,2,0,0,0,0|1,0,0]=3 16326 B13R0.88 CCCC(C)COCCOCC(=O)N 34a_100000688023_100000076697 [0,2,0,0,0,0|2,0,0]=4 16327 B13R0.88 CCCC(C)COCCOCC(=O)N 7a_100000688023_100000076697 [0,2,0,0,0,0|2,0,0]=4 16328 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [0,2,0,0,0,0|0,0,0]=2 16329 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [0,2,0,0,0,0|0,0,0]=2 16330 B13R0.88 CCCC(C)CSCCCCC(C)C 62a_100011216152_100011216630 [0,2,0,0,0,0|1,0,1]=4 16331 B13R0.88 CCCC(C)CSCCCCC(C)C 62a_100011216630_100011216152 [0,2,0,0,0,0|1,0,1]=4 16332 B13R0.88 CCCC(C)CSCCCCN(C)C 62a_100011216630_100000690147 [0,2,0,0,0,0|2,0,0]=4 16333 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100000042594_100011216630 [0,2,0,0,0,0|1,0,0]=3 16334 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100011216630_100000042594 [0,2,0,0,0,0|1,0,0]=3 16335 B13R0.88 CCCC(C)CSCCCOC(=S)C 62a_100011216630_200135323944 [0,2,0,0,0,0|1,1,0]=4 16336 B13R0.88 CCCC(C)CSCCCOC(=S)C 62a_200135323944_100011216630 [0,2,0,0,0,0|1,1,0]=4 16337 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100000038929_100011216630 [0,2,0,0,0,0|1,0,0]=3 16338 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100011216630_100000038929 [0,2,0,0,0,0|1,0,0]=3 16339 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100000076697_100011216630 [0,2,0,0,0,0|2,0,0]=4 16340 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100011216630_100000076697 [0,2,0,0,0,0|2,0,0]=4 16341 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [0,2,0,0,0,0|1,0,0]=3 16342 B13R0.88 CCCC(C)NCCCCCC(C)C 2230a_100000741246_100000210682 [0,2,0,0,0,0|1,0,1]=4 16343 B13R0.88 CCCC(C)NCCCCCC(C)C 2230a_100011290863_100000766640 [0,2,0,0,0,0|1,0,1]=4 16344 B13R0.88 CCCC(C)NCCCCCC(C)C 270004a_100011290863_100000211909 [0,2,0,0,0,0|1,0,1]=4 16345 B13R0.88 CCCC(C)NCCCCCC(C)C 34a_100011290863_100000766640 [0,2,0,0,0,0|1,0,1]=4 16346 B13R0.88 CCCC(C)NCCCCNC(=O)C 2230a_200011368371_100000766640 [0,2,0,0,0,0|1,0,0]=3 16347 B13R0.88 CCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211909 [0,2,0,0,0,0|1,0,0]=3 16348 B13R0.88 CCCC(C)NCCCCNC(=O)C 34a_200011368371_100000766640 [0,2,0,0,0,0|1,0,0]=3 16349 B13R0.88 CCCC(C)NCCCCSC(=O)C 2230a_100000741246_200010402107 [0,2,0,0,0,0|1,0,0]=3 16350 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [0,2,0,0,0,0|1,0,0]=3 16351 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [0,2,0,0,0,0|1,0,0]=3 16352 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [0,2,0,0,0,0|1,0,0]=3 16353 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [0,2,0,0,0,0|1,0,0]=3 16354 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [0,2,0,0,0,0|1,0,0]=3 16355 B13R0.88 CCCC(C)OCCCCCC(C)C 34a_100000764384_100000210682 [0,2,0,0,0,0|1,0,1]=4 16356 B13R0.88 CCCC(C)OCCCCCC(C)C 34a_100011995859_100000766640 [0,2,0,0,0,0|1,0,1]=4 16357 B13R0.88 CCCC(C)OCCCCCC(C)C 7a_100000764384_100000210682 [0,2,0,0,0,0|1,0,1]=4 16358 B13R0.88 CCCC(C)OCCCCCC(C)C 7a_100011995859_100000766640 [0,2,0,0,0,0|1,0,1]=4 16359 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000073216_100000766640 [0,2,0,0,0,0|1,0,0]=3 16360 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000764384_100000033659 [0,2,0,0,0,0|1,0,0]=3 16361 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000073216_100000766640 [0,2,0,0,0,0|1,0,0]=3 16362 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000764384_100000033659 [0,2,0,0,0,0|1,0,0]=3 16363 B13R0.88 CCCC(C)OCCCCSC(=O)C 34a_100000764384_200010402107 [0,2,0,0,0,0|1,0,0]=3 16364 B13R0.88 CCCC(C)OCCCCSC(=O)C 7a_100000764384_200010402107 [0,2,0,0,0,0|1,0,0]=3 16365 B13R0.88 CCCC(C)OCOCCOC(=O)C 34a_100000764384_100000076355 [0,2,0,0,0,0|2,0,0]=4 16366 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [0,2,0,0,0,0|1,0,0]=3 16367 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [0,2,0,0,0,0|1,0,0]=3 16368 B13R0.88 CCCC(C)SCCCCCC(C)C 62a_100000210682_100000766640 [0,2,0,0,0,0|1,0,1]=4 16369 B13R0.88 CCCC(C)SCCCCCC(C)C 62a_100000766640_100000210682 [0,2,0,0,0,0|1,0,1]=4 16370 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000033659_100000766640 [0,2,0,0,0,0|1,0,0]=3 16371 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000766640_100000033659 [0,2,0,0,0,0|1,0,0]=3 16372 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_100000766640_200010402107 [0,2,0,0,0,0|1,0,0]=3 16373 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_200010402107_100000766640 [0,2,0,0,0,0|1,0,0]=3 16374 B13R0.88 CCCC(C)SCOCCOC(=O)C 62a_100000076355_100000766640 [0,2,0,0,0,0|2,0,0]=4 16375 B13R0.88 CCCC(C)SCOCCOC(=O)C 62a_100000766640_100000076355 [0,2,0,0,0,0|2,0,0]=4 16376 B13R0.88 CCCN(C)CCCCCOC(=O)C 2230a_100000747261_100009813381 [0,2,0,0,0,0|1,0,0]=3 16377 B13R0.88 CCCN(C)CCCCCOC(=O)C 269982a_100000747261_100000033007 [0,2,0,0,0,0|1,0,0]=3 16378 B13R0.88 CCCN(C)CCOCCOC(=O)C 2230a_100000747261_200000083610 [0,2,0,0,0,0|2,0,0]=4 16379 B13R0.88 CCCN(C)CCOCCOC(=O)C 269982a_100000747261_200000083610 [0,2,0,0,0,0|2,0,0]=4 16380 B13R0.88 CCC[C@H](N)CCOCCC=C(C)C 34a_100015193777_100011217483 [0,2,0,0,0,0|1,0,1]=4 16381 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [0,2,0,0,0,0|0,0,0]=2 16382 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [0,2,0,0,0,0|1,0,0]=3 16383 B13R0.88 CCC[C@H](N)CCOCCCC(C)C 34a_100015193777_100011214892 [0,2,0,0,0,0|1,0,1]=4 16384 B13R0.88 CCC[C@H](N)CCOCCCC(C)O 34a_100015193777_200000718107 [0,2,0,0,0,0|0,0,2]=4 16385 B13R0.88 CCC[C@H](N)CCOCCOC(=O)C 34a_100015193777_100009814007 [0,2,0,0,0,0|1,0,0]=3 16386 B13R0.88 CCC[C@H](N)CCOCCOC(=O)N 34a_100015193777_200011214921 [0,2,0,0,0,0|2,0,0]=4 16387 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [0,2,0,0,0,0|0,0,0]=2 16388 B13R0.88 CCC[C@H](N)COCCCCC(C)C 34a_100000732646_100011216152 [0,2,0,0,0,0|1,0,1]=4 16389 B13R0.88 CCC[C@H](N)COCCCOC(=O)C 34a_100000732646_100000042594 [0,2,0,0,0,0|1,0,0]=3 16390 B13R0.88 CCC[C@H](N)COCCCOC(=S)C 34a_100000732646_200135323944 [0,2,0,0,0,0|1,1,0]=4 16391 B13R0.88 CCC[C@H](N)COCCCSC(=O)C 34a_100000732646_100000038929 [0,2,0,0,0,0|1,0,0]=3 16392 B13R0.88 CCC[C@H](N)COCCOCC(=O)N 34a_100000732646_100000076697 [0,2,0,0,0,0|2,0,0]=4 16393 B13R0.88 CCNC(=O)CCCCCNC(=O)C 11a_100015525214_100000183861 [0,2,0,0,0,0|1,0,1]=4 16394 B13R0.88 CCNC(=O)CCCCCNC(=O)C 240690a_100015525214_100000183861 [0,2,0,0,0,0|1,0,1]=4 16395 B13R0.88 CCNC(=O)CCNCCCC(=O)C 34a_100025743525_100000685027 [0,2,0,0,0,0|1,0,1]=4 16396 B13R0.88 CCNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737597 [0,2,0,0,0,0|1,0,1]=4 16397 B13R0.88 CCNC(=O)CCSCCCC(=O)C 62a_100000737597_100011215641 [0,2,0,0,0,0|1,0,1]=4 16398 B13R0.88 CCNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737597 [0,2,0,0,0,0|1,0,1]=4 16399 B13R0.88 CCNC(=O)CSCCCCC(=O)C 62a_100000183381_100000735457 [0,2,0,0,0,0|1,0,1]=4 16400 B13R0.88 CCNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183381 [0,2,0,0,0,0|1,0,1]=4 16401 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,2,0,0,0,0|0,0,1]=3 16402 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,2,0,0,0,0|0,0,1]=3 16403 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,2,0,0,0,0|0,0,1]=3 16404 B13R0.88 CCOC(=O)CCCCCNC(=O)C 188690a_100000062434_100015343762 [0,2,0,0,0,0|1,0,1]=4 16405 B13R0.88 CCOC(=O)CCCCOCC(=O)C 34a_100000211253_100000750268 [0,2,0,0,0,0|1,0,1]=4 16406 B13R0.88 CCOC(=O)CCCOCCC(=O)C 34a_100000759926_100009991533 [0,2,0,0,0,0|1,0,1]=4 16407 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100000759926_100011215271 [0,2,0,0,0,0|1,0,1]=4 16408 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100012001163_100000053229 [0,2,0,0,0,0|1,0,1]=4 16409 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100000053229_100009991533 [0,2,0,0,0,0|1,0,1]=4 16410 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100009991533_100000053229 [0,2,0,0,0,0|1,0,1]=4 16411 B13R0.88 CCOC(=O)CCOCCCC(=O)C 34a_100000759063_100000765890 [0,2,0,0,0,0|1,0,1]=4 16412 B13R0.88 CCOC(=O)CCOCCCC(=O)C 7a_100000759063_100011206558 [0,2,0,0,0,0|1,0,1]=4 16413 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100000765890_100011215641 [0,2,0,0,0,0|1,0,1]=4 16414 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100011215641_100000765890 [0,2,0,0,0,0|1,0,1]=4 16415 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000188475_100000735457 [0,2,0,0,0,0|1,0,1]=4 16416 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000735457_100000188475 [0,2,0,0,0,0|1,0,1]=4 16417 B13R0.88 COCC(=O)CCCCCOC(=O)C 1458a_100000210968_100000033007 [0,2,0,0,0,0|1,0,1]=4 16418 B13R0.88 COCC(C)NCCCCNC(=O)C 2230a_200011368371_100000765312 [0,2,0,0,0,0|2,0,0]=4 16419 B13R0.88 COCC(C)NCCCCNC(=O)C 270004a_200011368371_100000749346 [0,2,0,0,0,0|2,0,0]=4 16420 B13R0.88 COCC(C)NCCCCNC(=O)C 34a_200011368371_100000765312 [0,2,0,0,0,0|2,0,0]=4 16421 B13R0.88 COCC(C)OCCCCCC(=O)N 34a_100000123541_100000765312 [0,2,0,0,0,0|2,0,0]=4 16422 B13R0.88 COCC(C)OCCCCCC(=O)N 7a_100000123541_100000765312 [0,2,0,0,0,0|2,0,0]=4 16423 B13R0.88 COCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000765312 [0,2,0,0,0,0|2,0,0]=4 16424 B13R0.88 COCC(C)OCCCCOC(=O)C 34a_100000073216_100000765312 [0,2,0,0,0,0|2,0,0]=4 16425 B13R0.88 COCC(C)OCCCCOC(=O)C 7a_100000073216_100000765312 [0,2,0,0,0,0|2,0,0]=4 16426 B13R0.88 COCC(C)SCCCCCC(=O)N 62a_100000765312_100009817443 [0,2,0,0,0,0|2,0,0]=4 16427 B13R0.88 COCC(C)SCCCCCC(=O)N 62a_100009817443_100000765312 [0,2,0,0,0,0|2,0,0]=4 16428 B13R0.88 COCC(C)SCCCCOC(=O)C 62a_100000033659_100000765312 [0,2,0,0,0,0|2,0,0]=4 16429 B13R0.88 COCC(C)SCCCCOC(=O)C 62a_100000765312_100000033659 [0,2,0,0,0,0|2,0,0]=4 16430 B13R0.88 COCC(C)SCCCCSC(=O)C 62a_100000765312_200010402107 [0,2,0,0,0,0|2,0,0]=4 16431 B13R0.88 COCC(C)SCCCCSC(=O)C 62a_200010402107_100000765312 [0,2,0,0,0,0|2,0,0]=4 16432 B13R0.88 COCC(N)COCCCCC(=O)C 34a_100000724102_100009817362 [0,2,0,0,0,0|1,0,0]=3 16433 B13R0.88 COCC(N)COCCCOC(=O)C 34a_100000724102_100000042594 [0,2,0,0,0,0|2,0,0]=4 16434 B13R0.88 COCC(N)COCCCSC(=O)C 34a_100000724102_100000038929 [0,2,0,0,0,0|2,0,0]=4 16435 B13R0.88 COCC(O)CNCCCCC(=O)C 34a_100000756049_100009817362 [0,2,0,0,0,0|1,0,0]=3 16436 B13R0.88 COCC(O)CNCCCCC(=O)N 34a_100000696515_100011215053 [0,2,0,0,0,0|2,0,0]=4 16437 B13R0.88 COCC(O)CNCCCNC(=O)C 34a_100000736810_100011215053 [0,2,0,0,0,0|2,0,0]=4 16438 B13R0.88 COCC(O)CNCCCOC(=O)C 34a_100000756049_100000042594 [0,2,0,0,0,0|2,0,0]=4 16439 B13R0.88 COCC(O)CNCCCSC(=O)C 2230a_100000756049_100000038929 [0,2,0,0,0,0|2,0,0]=4 16440 B13R0.88 COCC(O)CNCCCSC(=O)C 34a_100000756049_100000038929 [0,2,0,0,0,0|2,0,0]=4 16441 B13R0.88 COCC(O)COCCCCC(=O)N 34a_100012022536_100011215053 [0,2,0,0,0,0|2,0,0]=4 16442 B13R0.88 COCC(O)COCCCCC(=O)N 7a_100012022536_100011215053 [0,2,0,0,0,0|2,0,0]=4 16443 B13R0.88 COCC(O)COCCCNC(=O)C 34a_100000752032_100011215053 [0,2,0,0,0,0|2,0,0]=4 16444 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100000735457_100011215053 [0,2,0,0,0,0|1,0,0]=3 16445 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100011215053_100000735457 [0,2,0,0,0,0|1,0,0]=3 16446 B13R0.88 COCC(O)CSCCCOC(=O)C 62a_100000042594_100011215053 [0,2,0,0,0,0|2,0,0]=4 16447 B13R0.88 COCC(O)CSCCCOC(=O)C 62a_100011215053_100000042594 [0,2,0,0,0,0|2,0,0]=4 16448 B13R0.88 COCC(O)CSCCCSC(=O)C 62a_100000038929_100011215053 [0,2,0,0,0,0|2,0,0]=4 16449 B13R0.88 COCC(O)CSCCCSC(=O)C 62a_100011215053_100000038929 [0,2,0,0,0,0|2,0,0]=4 16450 B13R0.88 COC[C@@H](C)NCCCCCC(=O)N 2230a_100000764878_100009817443 [0,2,0,0,0,0|2,0,0]=4 16451 B13R0.88 COC[C@@H](C)NCCCCSC(=O)C 2230a_100000764878_200010402107 [0,2,0,0,0,0|2,0,0]=4 16452 B13R0.88 COC[C@@H](C)OCCCCCC(=O)N 34a_100011934205_100009817443 [0,2,0,0,0,0|2,0,0]=4 16453 B13R0.88 COC[C@@H](C)OCCCCOC(=O)C 34a_100011934205_100000033659 [0,2,0,0,0,0|2,0,0]=4 16454 B13R0.88 COC[C@@H](C)OCCCCSC(=O)C 34a_100011934205_200010402107 [0,2,0,0,0,0|2,0,0]=4 16455 B13R0.88 CSCC(=O)CCCCCOC(=O)C 1458a_100000184570_100000033007 [0,2,0,0,0,0|1,0,1]=4 16456 B13R0.88 CSCC(C)NCCCCNC(=O)C 270004a_200011368371_100011216314 [0,2,0,0,0,0|2,0,0]=4 16457 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 2230a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 16458 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 34a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 16459 B13R0.101 CCC(=O)C(C)SCCCCC(=O)C 62a_100000735457_100000742827 [0,2,0,0,0,0|1,0,1]=4 16460 B13R0.101 CCC(=O)C(C)SCCCCC(=O)C 62a_100000742827_100000735457 [0,2,0,0,0,0|1,0,1]=4 16461 B13R0.101 CCC(C)C(=O)CCCCCC(=O)N 1458a_100011192722_100009817443 [0,2,0,0,0,0|1,0,1]=4 16462 B13R0.101 CCC(C)C(=O)CCCCOC(=O)C 1458a_100011192722_100000033659 [0,2,0,0,0,0|1,0,1]=4 16463 B13R0.101 CCC(C)C(=O)CCCCSC(=O)C 1458a_100011192722_200010402107 [0,2,0,0,0,0|1,0,1]=4 16464 B13R0.101 CCC(C)C(C)NCCCCC(=O)N 269862a_100000696515_100000210599 [0,2,0,0,0,0|2,0,0]=4 16465 B13R0.101 CCC(C)C(C)NCCCCC(=O)N 270004a_100000696515_100000210599 [0,2,0,0,0,0|2,0,0]=4 16466 B13R0.101 CCC(C)C(C)NCCCNC(=O)C 269862a_100000736810_100000210599 [0,2,0,0,0,0|2,0,0]=4 16467 B13R0.101 CCC(C)C(C)NCCCNC(=O)C 270004a_100000736810_100000210599 [0,2,0,0,0,0|2,0,0]=4 16468 B13R0.101 CCC(C)C(C)OCCCCC(=O)C 7a_100011215189_100000735457 [0,2,0,0,0,0|1,0,0]=3 16469 B13R0.101 CCC(C)C(C)OCCCOC(=O)C 7a_100011215189_100000042594 [0,2,0,0,0,0|2,0,0]=4 16470 B13R0.101 CCC(C)C(C)OCCCSC(=O)C 7a_100011215189_100000038929 [0,2,0,0,0,0|2,0,0]=4 16471 B13R0.101 CCC(C)N(C)CCCCCC(=O)N 2230a_100000741768_100009817443 [0,2,0,0,0,0|2,0,0]=4 16472 B13R0.101 CCC(C)N(C)CCCCCC(=O)N 269982a_100000741768_100009817443 [0,2,0,0,0,0|2,0,0]=4 16473 B13R0.101 CCC(C)N(C)CCCCOC(=O)C 269982a_100000741768_100000033659 [0,2,0,0,0,0|2,0,0]=4 16474 B13R0.101 CCC(C)N(C)CCCCSC(=O)C 2230a_100000741768_200010402107 [0,2,0,0,0,0|2,0,0]=4 16475 B13R0.101 CCC(C)N(C)CCCCSC(=O)C 269982a_100000741768_200010402107 [0,2,0,0,0,0|2,0,0]=4 16476 B13R0.101 CCC(O)C(=O)CCCCCC(=O)N 1458a_100011196387_100009817443 [0,2,0,0,0,0|1,0,1]=4 16477 B13R0.101 CCC(O)C(=O)CCCCOC(=O)C 1458a_100011196387_100000033659 [0,2,0,0,0,0|1,0,1]=4 16478 B13R0.101 CCC(O)C(=O)CCCCSC(=O)C 1458a_100011196387_200010402107 [0,2,0,0,0,0|1,0,1]=4 16479 B13R0.101 CCN(C)C(C)COCCCC(=O)C 7a_100000732741_100011215641 [0,2,0,0,0,0|2,0,0]=4 16480 B13R0.180 C=C(C)C(C)NCCCCCC(C)C 269862a_100011290863_100011216138 [0,2,0,0,0,0|2,0,0]=4 16481 B13R0.180 CC(=O)C(=O)COCCCCC(C)C 34a_100011214890_100011261029 [0,2,0,0,0,0|1,0,1]=4 16482 B13R0.180 CC(=O)C(=O)CSCCCCC(C)C 62a_100011216152_100011261029 [0,2,0,0,0,0|1,0,1]=4 16483 B13R0.180 CC(=O)C(=O)CSCCCCC(C)C 62a_100011261029_100011216152 [0,2,0,0,0,0|1,0,1]=4 16484 B13R0.180 CC(=O)C(C)COCCCCC(C)C 34a_100000032740_100011216152 [0,2,0,0,0,0|1,0,0]=3 16485 B13R0.180 CC(=O)C(C)COCCCCC(C)C 7a_100000032740_100011216152 [0,2,0,0,0,0|1,0,0]=3 16486 B13R0.180 CC(=O)C(C)NCCCCCC(C)C 2230a_100011290863_100009814033 [0,2,0,0,0,0|1,0,0]=3 16487 B13R0.180 CC(=O)C(C)NCCCOCC(C)C 2230a_100000205972_100009814033 [0,2,0,0,0,0|2,0,0]=4 16488 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 34a_100000212229_100000210682 [0,2,0,0,0,0|1,0,0]=3 16489 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 7a_100011995859_100000179758 [0,2,0,0,0,0|1,0,0]=3 16490 B13R0.180 CC(=O)C(C)SCCCCCC(C)C 62a_100000210682_100009814033 [0,2,0,0,0,0|1,0,0]=3 16491 B13R0.180 CC(=O)C(C)SCCCCCC(C)C 62a_100009814033_100000210682 [0,2,0,0,0,0|1,0,0]=3 16492 B13R0.180 CC(=O)CCCCNCC(O)C(C)C 34a_100000759067_100009817362 [0,2,0,0,0,0|1,0,0]=3 16493 B13R0.180 CC(=O)CCCCOCC(C)C(=O)C 34a_100000032740_100009817362 [0,2,0,0,0,0|1,0,1]=4 16494 B13R0.180 CC(=O)CCCCOCC(C)C(=O)C 7a_100000032740_100000735457 [0,2,0,0,0,0|1,0,1]=4 16495 B13R0.180 CC(=O)CCCCOC[C@H](N)C(C)C 34a_100011830312_100009817362 [0,2,0,0,0,0|1,0,0]=3 16496 B13R0.180 CC(=O)CCCCSCC(=O)C(C)C 62a_100000735457_100000753385 [0,2,0,0,0,0|1,0,1]=4 16497 B13R0.180 CC(=O)CCCCSCC(=O)C(C)C 62a_100000753385_100000735457 [0,2,0,0,0,0|1,0,1]=4 16498 B13R0.180 CC(=O)CCCOCCC(N)C(C)C 34a_100161115045_100000685027 [0,2,0,0,0,0|1,0,0]=3 16499 B13R0.180 CC(=O)NCCCCCC(=O)C(C)C 1458a_100000183861_100000210206 [0,2,0,0,0,0|1,0,1]=4 16500 B13R0.180 CC(=O)OCCCCCC(=O)C(C)C 1458a_100000210198_100000033007 [0,2,0,0,0,0|1,0,1]=4 16501 B13R0.180 CC(=O)OCCCCCC(=O)C(C)F 1458a_100000062450_100000033007 [0,2,0,0,0,0|1,0,1]=4 16502 B13R0.180 CC(=O)OCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000033007 [0,2,0,0,0,0|1,0,1]=4 16503 B13R0.180 CC(=O)OCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000033007 [0,2,0,0,0,0|1,0,1]=4 16504 B13R0.180 CC(=O)OCCCCCN(C)C(C)C 269982a_200000211004_100000033007 [0,2,0,0,0,0|2,0,0]=4 16505 B13R0.180 CC(=O)OCCCCOC(C)C(C)C 7a_100000748068_100000033659 [0,2,0,0,0,0|2,0,0]=4 16506 B13R0.180 CC(=O)OCCCNCC(O)C(C)C 34a_100000759067_100000042594 [0,2,0,0,0,0|2,0,0]=4 16507 B13R0.180 CC(=O)OCCCOC[C@H](N)C(C)C 34a_100011830312_100000042594 [0,2,0,0,0,0|2,0,0]=4 16508 B13R0.180 CC(=O)OCCOCCC(N)C(C)C 34a_100161115045_100009814007 [0,2,0,0,0,0|2,0,0]=4 16509 B13R0.180 CC(=O)SCCCCNC(C)C(C)C 2230a_100000211541_200010402107 [0,2,0,0,0,0|2,0,0]=4 16510 B13R0.180 CC(=O)SCCCCOC(C)C(C)C 7a_100000748068_200010402107 [0,2,0,0,0,0|2,0,0]=4 16511 B13R0.180 CC(=O)SCCCNCC(O)C(C)C 2230a_100000759067_100000038929 [0,2,0,0,0,0|2,0,0]=4 16512 B13R0.180 CC(=O)SCCCNCC(O)C(C)C 34a_100000759067_100000038929 [0,2,0,0,0,0|2,0,0]=4 16513 B13R0.180 CC(=O)SCCCOC[C@H](N)C(C)C 34a_100011830312_100000038929 [0,2,0,0,0,0|2,0,0]=4 16514 B13R0.180 CC(C)C(C)NCCCCCC(=O)N 2230a_100000211541_100009817443 [0,2,0,0,0,0|2,0,0]=4 16515 B13R0.180 CC(C)C(C)OCCCCCC(=O)N 7a_100000748068_100009817443 [0,2,0,0,0,0|2,0,0]=4 16516 B13R0.180 CC(C)C(N)CCOCCCC(=O)N 34a_100161115045_100102525003 [0,2,0,0,0,0|2,0,0]=4 16517 B13R0.180 CC(C)CCCCCNC(C)C(=O)N 2230a_100011290863_100000702099 [0,2,0,0,0,0|2,0,0]=4 16518 B13R0.180 CC(C)CCCCCNC(C)C(=O)N 34a_100011290863_100000702099 [0,2,0,0,0,0|2,0,0]=4 16519 B13R0.180 CC(C)CCCCCNC(F)C(=O)N 2230a_100011290863_100009813875 [0,2,0,0,0,0|2,0,0]=4 16520 B13R0.180 CC(C)CCCCCNC(F)C(=O)N 34a_100011290863_100009813875 [0,2,0,0,0,0|2,0,0]=4 16521 B13R0.180 CC(C)CCCCCNC(F)C(=O)[O-] 34a_100011290863_100020610796 [0,2,0,0,0,0|2,0,0]=4 16522 B13R0.180 CC(C)CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210682 [0,2,0,0,0,0|2,0,0]=4 16523 B13R0.180 CC(C)CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210682 [0,2,0,0,0,0|2,0,0]=4 16524 B13R0.180 CC(C)CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210682 [0,2,0,0,0,0|2,0,0]=4 16525 B13R0.180 CC(C)CCCCCOC(C)C(=O)N 34a_100011995859_100000702099 [0,2,0,0,0,0|2,0,0]=4 16526 B13R0.180 CC(C)CCCCCOC(C)C(=O)N 7a_100011995859_100000702099 [0,2,0,0,0,0|2,0,0]=4 16527 B13R0.180 CC(C)CCCCCOC(F)C(=O)N 34a_100011995859_100009813875 [0,2,0,0,0,0|2,0,0]=4 16528 B13R0.180 CC(C)CCCCCOC(F)C(=O)N 7a_100011995859_100009813875 [0,2,0,0,0,0|2,0,0]=4 16529 B13R0.180 CC(C)CCCCCOC(F)C(=O)[O-] 34a_100011995859_100020610796 [0,2,0,0,0,0|2,0,0]=4 16530 B13R0.180 CC(C)CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210682 [0,2,0,0,0,0|2,0,0]=4 16531 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210682 [0,2,0,0,0,0|2,0,0]=4 16532 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210682 [0,2,0,0,0,0|2,0,0]=4 16533 B13R0.180 CC(C)CCCCCSC(C)C(=O)N 62a_100000210682_100000702099 [0,2,0,0,0,0|2,0,0]=4 16534 B13R0.180 CC(C)CCCCCSC(C)C(=O)N 62a_100000702099_100000210682 [0,2,0,0,0,0|2,0,0]=4 16535 B13R0.180 CC(C)CCCCCSC(F)C(=O)N 62a_100000210682_100009813875 [0,2,0,0,0,0|2,0,0]=4 16536 B13R0.180 CC(C)CCCCCSC(F)C(=O)N 62a_100009813875_100000210682 [0,2,0,0,0,0|2,0,0]=4 16537 B13R0.180 CC(C)CCCCCSC(F)C(=O)[O-] 62a_100000210682_100020610796 [0,2,0,0,0,0|2,0,0]=4 16538 B13R0.180 CC(C)CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210682 [0,2,0,0,0,0|2,0,0]=4 16539 B13R0.180 CC(C)CCCCNCC(C)C(=O)O 269956a_100000749485_100011216152 [0,2,0,0,0,0|2,0,0]=4 16540 B13R0.180 CC(C)CCCCNCC(F)C(=O)O 269956a_100000084737_100011216152 [0,2,0,0,0,0|2,0,0]=4 16541 B13R0.180 CC(C)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100011216152 [0,2,0,0,0,0|2,0,0]=4 16542 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210202 [0,2,0,0,0,0|0,0,1]=3 16543 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000210414_100009815986 [0,2,0,0,0,0|0,0,1]=3 16544 B13R0.201 CCC(=O)COCCCCC(=O)OC 34a_100000725409_100000204269 [0,2,0,0,0,0|1,0,1]=4 16545 B13R0.201 CCC(=O)COCCCCC(=O)OC 7a_100000059025_100000747405 [0,2,0,0,0,0|1,0,1]=4 16546 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000204269_100000747405 [0,2,0,0,0,0|1,0,1]=4 16547 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000747405_100000204269 [0,2,0,0,0,0|1,0,1]=4 16548 B13R0.201 CCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000210414 [0,2,0,0,0,0|1,0,1]=4 16549 B13R0.201 CCC(C)CCCOCCC(=O)NC 7a_100011216074_100000737683 [0,2,0,0,0,0|1,0,0]=3 16550 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [0,2,0,0,0,0|1,0,0]=3 16551 B13R0.201 CCC(C)CCNCCCC(=O)NC 2230a_100020591266_100000741757 [0,2,0,0,0,0|1,0,0]=3 16552 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [0,2,0,0,0,0|1,0,0]=3 16553 B13R0.201 CCC(C)CCOCCCC(=O)NC 7a_100011215188_100000741757 [0,2,0,0,0,0|1,0,0]=3 16554 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [0,2,0,0,0,0|1,0,0]=3 16555 B13R0.201 CCC(C)CCOCCOC(=O)NC 7a_100011215188_200011997002 [0,2,0,0,0,0|2,0,0]=4 16556 B13R0.201 CCC(C)CNCCCCC(=O)OC 2230a_100020588543_100000204269 [0,2,0,0,0,0|1,0,0]=3 16557 B13R0.201 CCC(C)CNCCOCC(=O)OC 2230a_100020588543_100000090808 [0,2,0,0,0,0|2,0,0]=4 16558 B13R0.201 CCC(C)COCCCCC(=O)OC 34a_100000059025_100000748023 [0,2,0,0,0,0|1,0,0]=3 16559 B13R0.201 CCC(C)COCCCCC(=O)OC 7a_100000059025_100000748023 [0,2,0,0,0,0|1,0,0]=3 16560 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000204269_100000748023 [0,2,0,0,0,0|1,0,0]=3 16561 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000748023_100000204269 [0,2,0,0,0,0|1,0,0]=3 16562 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000090808_100000748023 [0,2,0,0,0,0|2,0,0]=4 16563 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000748023_100000090808 [0,2,0,0,0,0|2,0,0]=4 16564 B13R0.201 CCC(C)NCCCCCC(=O)OC 2230a_100000209981_100009816466 [0,2,0,0,0,0|1,0,0]=3 16565 B13R0.201 CCC(C)OCCCCCC(=O)OC 34a_100000074720_100011215416 [0,2,0,0,0,0|1,0,0]=3 16566 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000074720_100000758301 [0,2,0,0,0,0|1,0,0]=3 16567 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000210228_100009816466 [0,2,0,0,0,0|1,0,0]=3 16568 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100000758301_100009816466 [0,2,0,0,0,0|1,0,0]=3 16569 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100009816466_100000758301 [0,2,0,0,0,0|1,0,0]=3 16570 B13R0.201 CCC(O)CNCCCCC(=O)OC 2230a_100011218483_100000204269 [0,2,0,0,0,0|1,0,0]=3 16571 B13R0.201 CCC(O)CNCCOCC(=O)OC 2230a_100011218483_100000090808 [0,2,0,0,0,0|2,0,0]=4 16572 B13R0.201 CCC(O)COCCCCC(=O)OC 34a_100000059025_100011218378 [0,2,0,0,0,0|1,0,0]=3 16573 B13R0.201 CCC(O)COCCCCC(=O)OC 7a_100000059025_100011218378 [0,2,0,0,0,0|1,0,0]=3 16574 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100000204269_100011218378 [0,2,0,0,0,0|1,0,0]=3 16575 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100011218378_100000204269 [0,2,0,0,0,0|1,0,0]=3 16576 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100000090808_100011218378 [0,2,0,0,0,0|2,0,0]=4 16577 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100011218378_100000090808 [0,2,0,0,0,0|2,0,0]=4 16578 B13R0.201 CCN(C)CCCCCCC(=O)OC 2230a_100000225621_100009815986 [0,2,0,0,0,0|1,0,0]=3 16579 B13R0.201 CCN(C)CCCCCCC(=O)OC 269982a_100000225621_100009815986 [0,2,0,0,0,0|1,0,0]=3 16580 B13R0.201 CCN(C)CCCNCCC(=O)NC 2230a_100000738227_100015186262 [0,2,0,0,0,0|2,0,0]=4 16581 B13R0.201 CCN(C)CCCSCCC(=O)NC 62a_100000737683_100015186262 [0,2,0,0,0,0|2,0,0]=4 16582 B13R0.201 CCN(C)CCCSCCC(=O)OC 62a_100000204255_100015186262 [0,2,0,0,0,0|2,0,0]=4 16583 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 34a_100000059025_100009816398 [0,2,0,0,0,0|1,0,0]=3 16584 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100000059025_100009816398 [0,2,0,0,0,0|1,0,0]=3 16585 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100009816381_100000204269 [0,2,0,0,0,0|1,0,0]=3 16586 B13R0.201 CC[C@H](C)COCCOCC(=O)OC 7a_100009816381_100000090808 [0,2,0,0,0,0|2,0,0]=4 16587 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100000204269_100009816398 [0,2,0,0,0,0|1,0,0]=3 16588 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100009816398_100000204269 [0,2,0,0,0,0|1,0,0]=3 16589 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100000090808_100009816398 [0,2,0,0,0,0|2,0,0]=4 16590 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100009816398_100000090808 [0,2,0,0,0,0|2,0,0]=4 16591 B13R0.201 CNC(=O)CCCCCCC(=O)OC 11a_106832991635_100000036694 [0,2,0,0,0,0|1,0,1]=4 16592 B13R0.201 CNC(=O)CCCCCCC(=O)OC 1626a_100102657272_100000036694 [0,2,0,0,0,0|1,0,1]=4 16593 B13R0.201 CNC(=O)CCCCCCC(=O)OC 240690a_100102657272_100000036694 [0,2,0,0,0,0|1,0,1]=4 16594 B13R0.201 CNC(=O)CCCNCCC(C)CO 2230a_106354213184_100000741757 [0,2,0,0,0,0|2,0,0]=4 16595 B13R0.201 CNC(=O)CCCNCCC(C)CO 34a_106354213184_100000741757 [0,2,0,0,0,0|2,0,0]=4 16596 B13R0.201 CNC(=O)CCCOCCC(C)OC 7a_100000764861_100000741757 [0,2,0,0,0,0|2,0,0]=4 16597 B13R0.201 CNC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100012179268 [0,2,0,0,0,0|2,0,0]=4 16598 B13R0.201 COC(=O)CCCCCCC(=O)CF 1458a_100000036694_100015361967 [0,2,0,0,0,0|1,0,1]=4 16599 B13R0.201 COC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009815986 [0,2,0,0,0,0|1,0,1]=4 16600 B13R0.201 COC(=O)CCCCCN[C@H](C)CO 2230a_100000737577_100009816466 [0,2,0,0,0,0|2,0,0]=4 16601 B13R0.201 COC(=O)CCCCCOC(C)CF 34a_100016041109_100009816466 [0,2,0,0,0,0|2,0,0]=4 16602 B13R0.201 COC(=O)CCCCCOC(C)CF 7a_100016041109_100009816466 [0,2,0,0,0,0|2,0,0]=4 16603 B13R0.201 COC(=O)CCCCCOC(C)CN 34a_100000210904_100009816466 [0,2,0,0,0,0|2,0,0]=4 16604 B13R0.201 COC(=O)CCCCCOC(C)CO 34a_100000074720_100012180447 [0,2,0,0,0,0|2,0,0]=4 16605 B13R0.201 COC(=O)CCCCCOC(C)CO 7a_100000074720_100012180447 [0,2,0,0,0,0|2,0,0]=4 16606 B13R0.201 COC(=O)CCCCCSC(C)CO 62a_100012180447_100009816466 [0,2,0,0,0,0|2,0,0]=4 16607 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009816466_100009879195 [0,2,0,0,0,0|2,0,0]=4 16608 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009879195_100009816466 [0,2,0,0,0,0|2,0,0]=4 16609 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100009816466_100016084084 [0,2,0,0,0,0|2,0,0]=4 16610 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100016084084_100009816466 [0,2,0,0,0,0|2,0,0]=4 16611 B13R0.201 COC(=O)CCCCNCC(C)CO 34a_100000744482_100000204269 [0,2,0,0,0,0|2,0,0]=4 16612 B13R0.201 COC(=O)CCCCNC[C@@H](C)OC 2230a_100020591295_100000204269 [0,2,0,0,0,0|2,0,0]=4 16613 B13R0.201 COC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100000204269 [0,2,0,0,0,0|2,0,0]=4 16614 B13R0.201 COC(=O)CCCCNC[C@H](O)CO 2230a_100020644852_100000204269 [0,2,0,0,0,0|2,0,0]=4 16615 B13R0.201 COC(=O)CCCCOCC(C)CN 34a_100000744482_100000204269 [0,2,0,0,0,0|2,0,0]=4 16616 B13R0.201 COC(=O)CCCCOCC(C)OC 34a_100000690652_100000204269 [0,2,0,0,0,0|2,0,0]=4 16617 B13R0.201 COC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100000204269 [0,2,0,0,0,0|2,0,0]=4 16618 B13R0.201 COC(=O)CCCCOCC(O)CO 34a_100000059025_100011219619 [0,2,0,0,0,0|2,0,0]=4 16619 B13R0.201 COC(=O)CCCCOCC(O)CO 7a_100000059025_100011219619 [0,2,0,0,0,0|2,0,0]=4 16620 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 34a_100000059025_100000059175 [0,2,0,0,0,0|2,0,0]=4 16621 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 7a_100000059025_100000059175 [0,2,0,0,0,0|2,0,0]=4 16622 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 34a_100000059025_100015614560 [0,2,0,0,0,0|2,0,0]=4 16623 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 7a_100000059025_100015614560 [0,2,0,0,0,0|2,0,0]=4 16624 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 34a_100000059025_100009815848 [0,2,0,0,0,0|2,0,0]=4 16625 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 7a_100000059025_100009815848 [0,2,0,0,0,0|2,0,0]=4 16626 B13R0.201 COC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100000204269 [0,2,0,0,0,0|2,0,0]=4 16627 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100000204269_100011219619 [0,2,0,0,0,0|2,0,0]=4 16628 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100011219619_100000204269 [0,2,0,0,0,0|2,0,0]=4 16629 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000204269 [0,2,0,0,0,0|2,0,0]=4 16630 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000204269_100000059175 [0,2,0,0,0,0|2,0,0]=4 16631 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100000204269_100015614560 [0,2,0,0,0,0|2,0,0]=4 16632 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000204269 [0,2,0,0,0,0|2,0,0]=4 16633 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100000204269_100009815848 [0,2,0,0,0,0|2,0,0]=4 16634 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000204269 [0,2,0,0,0,0|2,0,0]=4 16635 B13R0.201 COC(=O)CCCNCCC(C)CO 2230a_106354213184_100011218270 [0,2,0,0,0,0|2,0,0]=4 16636 B13R0.201 COC(=O)CCCNCCC(C)CO 34a_106354213184_100000742333 [0,2,0,0,0,0|2,0,0]=4 16637 B13R0.201 COC(=O)CCCOCCC(C)OC 7a_100000764861_100011218270 [0,2,0,0,0,0|2,0,0]=4 16638 B13R0.201 COC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100000742370 [0,2,0,0,0,0|2,0,0]=4 16639 B13R0.204 CCN(C)CCCOCC(C)C(=O)C 7a_100000032740_100015186262 [0,2,0,0,0,0|2,0,0]=4 16640 B13R0.208 C=C(C)CCC(C)NCCC(C)CC 270004a_100020591266_100011215600 [0,2,0,0,0,0|2,0,0]=4 16641 B13R0.208 CCC(C)CCNC(C)COC(=O)C 270004a_100020591266_100000000629 [0,2,0,0,0,0|2,0,0]=4 16642 B13R0.208 CCC(C)CNCC(C)CSC(=O)C 2230a_100020588543_200000116872 [0,2,0,0,0,0|2,0,0]=4 16643 B13R0.208 CCC(C)CSCC(C)CSC(=O)C 62a_100000748023_200000116872 [0,2,0,0,0,0|2,0,0]=4 16644 B13R0.208 CCC(C)CSCC(C)CSC(=O)C 62a_200000116872_100000748023 [0,2,0,0,0,0|2,0,0]=4 16645 B13R0.208 CCC(C)CSCC(O)COC(=O)C 62a_100000748023_200000139349 [0,2,0,0,0,0|2,0,0]=4 16646 B13R0.208 CCC(C)CSCC(O)COC(=O)C 62a_200000139349_100000748023 [0,2,0,0,0,0|2,0,0]=4 16647 B13R0.208 CCC(O)CNCC(C)CSC(=O)C 2230a_100011218483_200000116872 [0,2,0,0,0,0|2,0,0]=4 16648 B13R0.208 CCC(O)CSCC(C)CSC(=O)C 62a_100011218378_200000116872 [0,2,0,0,0,0|2,0,0]=4 16649 B13R0.208 CCC(O)CSCC(C)CSC(=O)C 62a_200000116872_100011218378 [0,2,0,0,0,0|2,0,0]=4 16650 B13R0.208 CCC(O)CSCC(O)COC(=O)C 62a_100011218378_200000139349 [0,2,0,0,0,0|2,0,0]=4 16651 B13R0.208 CCC(O)CSCC(O)COC(=O)C 62a_200000139349_100011218378 [0,2,0,0,0,0|2,0,0]=4 16652 B13R0.208 CC[C@H](C)COCC(C)CSC(=O)C 7a_100009816381_200000116872 [0,2,0,0,0,0|2,0,0]=4 16653 B13R0.208 CC[C@H](C)COCC(O)COC(=O)C 7a_100009816381_200000139349 [0,2,0,0,0,0|2,0,0]=4 16654 B13R0.208 CC[C@H](C)CSCC(C)CSC(=O)C 62a_100009816398_200000116872 [0,2,0,0,0,0|2,0,0]=4 16655 B13R0.208 CC[C@H](C)CSCC(C)CSC(=O)C 62a_200000116872_100009816398 [0,2,0,0,0,0|2,0,0]=4 16656 B13R0.208 CC[C@H](C)CSCC(O)COC(=O)C 62a_100009816398_200000139349 [0,2,0,0,0,0|2,0,0]=4 16657 B13R0.208 CC[C@H](C)CSCC(O)COC(=O)C 62a_200000139349_100009816398 [0,2,0,0,0,0|2,0,0]=4 16658 B13R0.291 CC(=O)CCCCOCC(C)(C)CCl 7a_100011217199_100000735457 [0,2,0,0,0,0|2,0,0]=4 16659 B13R0.291 CC(=O)CCCCOCC(F)(F)CN 34a_100000703232_100009817362 [0,2,0,0,0,0|2,0,0]=4 16660 B13R0.291 CC(=O)CCCCSCC(C)(C)CO 62a_100000735457_100009813988 [0,2,0,0,0,0|2,0,0]=4 16661 B13R0.291 CC(=O)CCCCSCC(C)(C)CO 62a_100009813988_100000735457 [0,2,0,0,0,0|2,0,0]=4 16662 B13R0.291 CCC(C)(C)COCCCCC(=O)C 7a_100000765029_100000735457 [0,2,0,0,0,0|1,0,0]=3 16663 B13R0.291 CCC(C)(C)COCCCOC(=O)C 7a_100000765029_100000042594 [0,2,0,0,0,0|2,0,0]=4 16664 B13R0.291 CCC(C)(C)COCCCSC(=O)C 7a_100000765029_100000038929 [0,2,0,0,0,0|2,0,0]=4 16665 B13R0.291 CCC(C)(C)NCCCCCC(=O)N 2230a_100000211385_100009817443 [0,2,0,0,0,0|2,0,0]=4 16666 B13R0.291 CCC(C)(C)NCCCCSC(=O)C 2230a_100000211385_200010402107 [0,2,0,0,0,0|2,0,0]=4 16667 B13R0.291 CCC(C)(C)OCCCCCC(=O)N 7a_100000123541_100000210677 [0,2,0,0,0,0|2,0,0]=4 16668 B13R0.291 CCC(C)(C)OCCCCCC(=O)N 7a_100000210230_100009817443 [0,2,0,0,0,0|2,0,0]=4 16669 B13R0.291 CCC(C)(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210677 [0,2,0,0,0,0|2,0,0]=4 16670 B13R0.291 CCC(C)(C)OCCCCOC(=O)C 7a_100000073216_100000210677 [0,2,0,0,0,0|2,0,0]=4 16671 B13R0.291 CCC(C)(C)OCCCCOC(=O)C 7a_100000210230_100000033659 [0,2,0,0,0,0|2,0,0]=4 16672 B13R0.291 CCC(C)(C)OCCCCSC(=O)C 7a_100000210230_200010402107 [0,2,0,0,0,0|2,0,0]=4 16673 B13R0.291 CCC(C)(C)SCCCCCC(=O)N 62a_100000032637_100009817443 [0,2,0,0,0,0|2,0,0]=4 16674 B13R0.291 CCC(C)(C)SCCCCCC(=O)N 62a_100009817443_100000032637 [0,2,0,0,0,0|2,0,0]=4 16675 B13R0.291 CCC(C)(C)SCCCCOC(=O)C 62a_100000032637_100000033659 [0,2,0,0,0,0|2,0,0]=4 16676 B13R0.291 CCC(C)(C)SCCCCOC(=O)C 62a_100000033659_100000032637 [0,2,0,0,0,0|2,0,0]=4 16677 B13R0.291 CCC(C)(C)SCCCCSC(=O)C 62a_100000032637_200010402107 [0,2,0,0,0,0|2,0,0]=4 16678 B13R0.291 CCC(C)(C)SCCCCSC(=O)C 62a_200010402107_100000032637 [0,2,0,0,0,0|2,0,0]=4 16679 B13R0.291 CCS(=O)(=O)CCNCCCC(=O)C 34a_100000751051_100000685027 [0,2,0,0,0,0|2,0,0]=4 16680 B13R0.291 CCS(=O)(=O)CCOCCCC(=O)C 34a_100000759063_100000756660 [0,2,0,0,0,0|2,0,0]=4 16681 B13R0.291 CCS(=O)(=O)CCOCCCC(=O)C 34a_200011216379_100000685027 [0,2,0,0,0,0|2,0,0]=4 16682 B13R0.291 CCS(=O)(=O)CCOCCCC(=O)C 7a_100000759063_100000756660 [0,2,0,0,0,0|2,0,0]=4 16683 B13R0.291 CCS(=O)(=O)CCOCCCC(=O)C 7a_200011216379_100011215641 [0,2,0,0,0,0|2,0,0]=4 16684 B13R0.291 CCS(=O)(=O)CCSCCCC(=O)C 62a_100000756660_100011215641 [0,2,0,0,0,0|2,0,0]=4 16685 B13R0.291 CCS(=O)(=O)CCSCCCC(=O)C 62a_100011215641_100000756660 [0,2,0,0,0,0|2,0,0]=4 16686 B13R0.291 COC(C)(C)CCOCCCC(=O)C 7a_100000699976_100011215641 [0,2,0,0,0,0|2,0,0]=4 16687 B13R0.291 COC(C)(C)CSCCCCC(=O)C 62a_100000701081_100000735457 [0,2,0,0,0,0|2,0,0]=4 16688 B13R0.291 COC(C)(C)CSCCCCC(=O)C 62a_100000735457_100000701081 [0,2,0,0,0,0|2,0,0]=4 16689 B13R0.493 C=C(C)CCOC(C)CCC(C)CC 7a_200011216552_100000730704 [0,2,0,0,0,0|2,0,0]=4 16690 B13R0.493 CCC(C)CCC(=O)CCCC(=O)C 1458a_100000701222_100011215641 [0,2,0,0,0,0|0,0,1]=3 16691 B13R0.493 CCC(C)CCC(=O)CCCC(=O)N 1458a_100000701222_100102525003 [0,2,0,0,0,0|1,0,1]=4 16692 B13R0.493 CCC(C)CCC(=O)CCNC(=O)C 1458a_100000701222_100000189650 [0,2,0,0,0,0|1,0,1]=4 16693 B13R0.493 CCC(C)CCC(=O)CCOC(=O)C 1458a_100000701222_100009814007 [0,2,0,0,0,0|1,0,1]=4 16694 B13R0.493 CCC(C)CCC(C)OCCC(=O)C 7a_200011216552_100000053229 [0,2,0,0,0,0|1,0,0]=3 16695 B13R0.493 CCC(C)CCC(C)OCCC(=O)N 7a_200011216552_100000744528 [0,2,0,0,0,0|2,0,0]=4 16696 B13R0.493 CCC(C)COC(C)CCCC(=O)[O-] 7a_100000761597_100000748023 [0,2,0,0,0,0|2,0,0]=4 16697 B13R0.493 CCC(O)COC(C)CCCC(=O)[O-] 7a_100000761597_100011218378 [0,2,0,0,0,0|2,0,0]=4 16698 B13R0.493 CCN(C)CCC(=O)CCCC(=O)C 1458a_100000755305_100011215641 [0,2,0,0,0,0|1,0,1]=4 16699 B13R0.493 CCS(=O)CCC(=O)CCCC(=O)C 1458a_100011387550_100011215641 [0,2,0,0,0,0|1,0,1]=4 16700 B13R0.493 CC[C@H](C)COC(C)CCCC(=O)[O-] 7a_100000761597_100009816398 [0,2,0,0,0,0|2,0,0]=4 16701 B13R0.1120 C#CC(CC)OCCCCCC(=O)N 34a_100000758843_100009817443 [0,2,0,0,0,0|2,0,0]=4 16702 B13R0.1120 C#CC(CC)OCCCCCC(=O)N 7a_100000758843_100009817443 [0,2,0,0,0,0|2,0,0]=4 16703 B13R0.1120 C#CC(CC)OCCCCOC(=O)C 34a_100000758843_100000033659 [0,2,0,0,0,0|2,0,0]=4 16704 B13R0.1120 C#CC(CC)OCCCCOC(=O)C 7a_100000758843_100000033659 [0,2,0,0,0,0|2,0,0]=4 16705 B13R0.1120 C#CC(CC)OCCCCSC(=O)C 34a_100000758843_200010402107 [0,2,0,0,0,0|2,0,0]=4 16706 B13R0.1120 C#CC(CC)OCCCCSC(=O)C 7a_100000758843_200010402107 [0,2,0,0,0,0|2,0,0]=4 16707 B13R0.1120 C=CC(CC)OCCCCCC(=O)N 34a_100000766422_100009817443 [0,2,0,0,0,0|2,0,0]=4 16708 B13R0.1120 C=CC(CC)OCCCCCC(=O)N 7a_100000766422_100009817443 [0,2,0,0,0,0|2,0,0]=4 16709 B13R0.1120 C=CC(CC)OCCCCOC(=O)C 34a_100000766422_100000033659 [0,2,0,0,0,0|2,0,0]=4 16710 B13R0.1120 C=CC(CC)OCCCCOC(=O)C 7a_100000766422_100000033659 [0,2,0,0,0,0|2,0,0]=4 16711 B13R0.1120 C=CC(CC)OCCCCSC(=O)C 34a_100000766422_200010402107 [0,2,0,0,0,0|2,0,0]=4 16712 B13R0.1120 C=CC(CC)OCCCCSC(=O)C 7a_100000766422_200010402107 [0,2,0,0,0,0|2,0,0]=4 16713 B13R0.1120 CCC(CC)CNCCCCC(=O)N 269862a_100000696515_100000211137 [0,2,0,0,0,0|2,0,0]=4 16714 B13R0.1120 CCC(CC)CNCCCCC(=O)N 270004a_100000696515_100000211137 [0,2,0,0,0,0|2,0,0]=4 16715 B13R0.1120 CCC(CC)CNCCCCC(=O)N 34a_100000696515_100011215472 [0,2,0,0,0,0|2,0,0]=4 16716 B13R0.1120 CCC(CC)CNCCCNC(=O)C 269862a_100000736810_100000211137 [0,2,0,0,0,0|2,0,0]=4 16717 B13R0.1120 CCC(CC)CNCCCNC(=O)C 270004a_100000736810_100000211137 [0,2,0,0,0,0|2,0,0]=4 16718 B13R0.1120 CCC(CC)CNCCCNC(=O)C 34a_100000736810_100011215472 [0,2,0,0,0,0|2,0,0]=4 16719 B13R0.1120 CCC(CC)CNCCCSC(=O)C 2230a_100102946423_100000038929 [0,2,0,0,0,0|2,0,0]=4 16720 B13R0.1120 CCC(CC)COCCCCC(=O)C 7a_100000703878_100000735457 [0,2,0,0,0,0|1,0,0]=3 16721 B13R0.1120 CCC(CC)COCCCCC(=O)N 34a_100012022536_100011215472 [0,2,0,0,0,0|2,0,0]=4 16722 B13R0.1120 CCC(CC)COCCCCC(=O)N 7a_100012022536_100011215472 [0,2,0,0,0,0|2,0,0]=4 16723 B13R0.1120 CCC(CC)COCCCNC(=O)C 34a_100000752032_100011215472 [0,2,0,0,0,0|2,0,0]=4 16724 B13R0.1120 CCC(CC)COCCCOC(=O)C 7a_100000703878_100000042594 [0,2,0,0,0,0|2,0,0]=4 16725 B13R0.1120 CCC(CC)COCCCSC(=O)C 7a_100000703878_100000038929 [0,2,0,0,0,0|2,0,0]=4 16726 B13R0.1120 CCC(CC)CSCCCCC(=O)C 62a_100000735457_100011215472 [0,2,0,0,0,0|1,0,0]=3 16727 B13R0.1120 CCC(CC)CSCCCCC(=O)C 62a_100011215472_100000735457 [0,2,0,0,0,0|1,0,0]=3 16728 B13R0.1120 CCC(CC)CSCCCOC(=O)C 62a_100000042594_100011215472 [0,2,0,0,0,0|2,0,0]=4 16729 B13R0.1120 CCC(CC)CSCCCOC(=O)C 62a_100011215472_100000042594 [0,2,0,0,0,0|2,0,0]=4 16730 B13R0.1120 CCC(CC)CSCCCSC(=O)C 62a_100000038929_100011215472 [0,2,0,0,0,0|2,0,0]=4 16731 B13R0.1120 CCC(CC)CSCCCSC(=O)C 62a_100011215472_100000038929 [0,2,0,0,0,0|2,0,0]=4 16732 B13R0.1120 CCC(CC)NCCCCCC(=O)N 2230a_100000199018_100009817443 [0,2,0,0,0,0|2,0,0]=4 16733 B13R0.1120 CCC(CC)NCCCCNC(=O)C 270004a_200011368371_100000210860 [0,2,0,0,0,0|2,0,0]=4 16734 B13R0.1120 CCC(CC)NCCCCSC(=O)C 2230a_100000199018_200010402107 [0,2,0,0,0,0|2,0,0]=4 16735 B13R0.1120 CCC(CC)OCCCCCC(=O)N 7a_100000123541_100000210505 [0,2,0,0,0,0|2,0,0]=4 16736 B13R0.1120 CCC(CC)OCCCCCC(=O)N 7a_100000688536_100009817443 [0,2,0,0,0,0|2,0,0]=4 16737 B13R0.1120 CCC(CC)OCCCCCC(=O)[O-] 7a_100102619762_100000210505 [0,2,0,0,0,0|2,0,0]=4 16738 B13R0.1120 CCC(CC)OCCCCOC(=O)C 7a_100000073216_100000210505 [0,2,0,0,0,0|2,0,0]=4 16739 B13R0.1120 CCC(CC)OCCCCOC(=O)C 7a_100000688536_100000033659 [0,2,0,0,0,0|2,0,0]=4 16740 B13R0.1120 CCC(CC)OCCCCSC(=O)C 7a_100000688536_200010402107 [0,2,0,0,0,0|2,0,0]=4 16741 B13R0.1120 CCC(CC)SCCCCCC(=O)N 62a_100000210505_100009817443 [0,2,0,0,0,0|2,0,0]=4 16742 B13R0.1120 CCC(CC)SCCCCCC(=O)N 62a_100009817443_100000210505 [0,2,0,0,0,0|2,0,0]=4 16743 B13R0.1120 CCC(CC)SCCCCOC(=O)C 62a_100000033659_100000210505 [0,2,0,0,0,0|2,0,0]=4 16744 B13R0.1120 CCC(CC)SCCCCOC(=O)C 62a_100000210505_100000033659 [0,2,0,0,0,0|2,0,0]=4 16745 B13R0.1120 CCC(CC)SCCCCSC(=O)C 62a_100000210505_200010402107 [0,2,0,0,0,0|2,0,0]=4 16746 B13R0.1120 CCC(CC)SCCCCSC(=O)C 62a_200010402107_100000210505 [0,2,0,0,0,0|2,0,0]=4 16747 B13R0.1120 CCC(COCCCCC(=O)C)OC 34a_100011934954_100009817362 [0,2,0,0,0,0|1,0,0]=3 16748 B13R0.1120 CCC(COCCCCC(=O)C)OC 7a_100011934954_100000735457 [0,2,0,0,0,0|1,0,0]=3 16749 B13R0.1120 CCC(COCCCOC(=O)C)OC 34a_100011934954_100000042594 [0,2,0,0,0,0|2,0,0]=4 16750 B13R0.1120 CCC(COCCCOC(=O)C)OC 7a_100011934954_100000042594 [0,2,0,0,0,0|2,0,0]=4 16751 B13R0.1120 CCC(COCCCSC(=O)C)OC 34a_100011934954_100000038929 [0,2,0,0,0,0|2,0,0]=4 16752 B13R0.1120 CCC(COCCCSC(=O)C)OC 7a_100011934954_100000038929 [0,2,0,0,0,0|2,0,0]=4 16753 B13R0.1120 CCN(CC)CCCCCNC(=O)C 1626a_100011491781_100015343762 [0,2,0,0,0,0|2,0,0]=4 16754 B13R0.1120 CCN(CC)CCCCCNC(=O)C 240690a_100011491781_100015343762 [0,2,0,0,0,0|2,0,0]=4 16755 B13R0.1120 CCN(CC)CCCCCOC(=O)C 2230a_100000724800_100009813381 [0,2,0,0,0,0|2,0,0]=4 16756 B13R0.1120 CCN(CC)CCCCCOC(=O)C 269956a_100000042499_100000033007 [0,2,0,0,0,0|2,0,0]=4 16757 B13R0.1120 CCN(CC)CCCCCOC(=O)C 269982a_100000724800_100000033007 [0,2,0,0,0,0|2,0,0]=4 16758 B13R0.1120 CCN(CC)CCCOCCC(=O)C 7a_100000212844_100000053229 [0,2,0,0,0,0|2,0,0]=4 16759 B13R0.1120 CCN(CC)CCCOCCC(=O)C 7a_100000759926_100000709985 [0,2,0,0,0,0|2,0,0]=4 16760 B13R0.1120 CCN(CC)CCCSCCC(=O)C 62a_100000053229_100000709985 [0,2,0,0,0,0|2,0,0]=4 16761 B13R0.1120 CCN(CC)CCOCCCC(=O)C 7a_100000759063_100000700428 [0,2,0,0,0,0|2,0,0]=4 16762 B13R0.1120 CCN(CC)CCOCCCC(=O)C 7a_100016990331_100011215641 [0,2,0,0,0,0|2,0,0]=4 16763 B13R0.1120 CCN(CC)CCSCCCC(=O)C 62a_100011215641_100000700428 [0,2,0,0,0,0|2,0,0]=4 16764 B13R0.1120 CCN(CC)COCCCCC(=O)C 7a_200015374951_100000735457 [0,2,0,0,0,0|2,0,0]=4 16765 B13R0.1120 CC[C@@H](CO)NCCCCCC(=O)N 2230a_100000709445_100009817443 [0,2,0,0,0,0|2,0,0]=4 16766 B13R0.1120 CC[C@@H](CO)NCCCCSC(=O)C 2230a_100000709445_200010402107 [0,2,0,0,0,0|2,0,0]=4 16767 B13R0.1120 COC(CCCOCCC(=O)C)OC 34a_100000759926_100000069011 [0,2,0,0,0,0|2,0,0]=4 16768 B13R0.1120 COC(CCCOCCC(=O)C)OC 7a_100000759926_100000069011 [0,2,0,0,0,0|2,0,0]=4 16769 B13R0.1120 COC(CCCSCCC(=O)C)OC 62a_100000053229_100000069011 [0,2,0,0,0,0|2,0,0]=4 16770 B13R0.1120 COC(CCCSCCC(=O)C)OC 62a_100000069011_100000053229 [0,2,0,0,0,0|2,0,0]=4 16771 B13R0.1120 COC(CCOCCCC(=O)C)OC 34a_100000759063_100000139399 [0,2,0,0,0,0|2,0,0]=4 16772 B13R0.1120 COC(CCOCCCC(=O)C)OC 7a_100000759063_100009813347 [0,2,0,0,0,0|2,0,0]=4 16773 B13R0.1120 COC(CCSCCCC(=O)C)OC 62a_100000139399_100011215641 [0,2,0,0,0,0|2,0,0]=4 16774 B13R0.1120 COC(CCSCCCC(=O)C)OC 62a_100011215641_100000139399 [0,2,0,0,0,0|2,0,0]=4 16775 B13R0.1120 COC(COCCCCC(=O)C)OC 34a_100011216393_100009817362 [0,2,0,0,0,0|2,0,0]=4 16776 B13R0.1120 COC(CSCCCCC(=O)C)OC 62a_100000735457_100000751394 [0,2,0,0,0,0|2,0,0]=4 16777 B13R0.1120 COC(CSCCCCC(=O)C)OC 62a_100000751394_100000735457 [0,2,0,0,0,0|2,0,0]=4 16778 B13R0.1 C#CCCCCC(=O)CCCC(=O)C 1458a_100000696528_100011215641 [0,2,0,0,0,0|0,0,2]=4 16779 B13R0.1 C=C(Br)CCOC(C)CCCCCC 34a_100009813270_100011215978 [0,2,0,0,0,0|1,0,1]=4 16780 B13R0.1 C=C(C)CCNC(C)CCCCCC 2230a_100000210919_100000730704 [0,2,0,0,0,0|1,0,0]=3 16781 B13R0.1 C=C(C)CCNC(C)CCCCCC 34a_100000210919_100000730704 [0,2,0,0,0,0|1,0,0]=3 16782 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000210265_100000730704 [0,2,0,0,0,0|1,0,0]=3 16783 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000764851_100011215978 [0,2,0,0,0,0|1,0,0]=3 16784 B13R0.1 C=C(C)CCOC(C)CCCCCC 7a_100000210265_100000730704 [0,2,0,0,0,0|1,0,0]=3 16785 B13R0.1 C=C(C)CCOC(C)COCCCC 34a_100011217071_100000730704 [0,2,0,0,0,0|2,0,0]=4 16786 B13R0.1 C=C(C)CCOC(C)COCCCC 7a_100011217071_100000730704 [0,2,0,0,0,0|2,0,0]=4 16787 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100000730704_100011215978 [0,2,0,0,0,0|1,0,0]=3 16788 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100011215978_100000730704 [0,2,0,0,0,0|1,0,0]=3 16789 B13R0.1 C=CCCCCC(=O)CCCC(=O)C 1458a_100011215552_100011215641 [0,2,0,0,0,0|0,0,2]=4 16790 B13R0.1 C=CCCCCN(C)CCCC(=O)C 269982a_100012000471_100011215641 [0,2,0,0,0,0|0,0,2]=4 16791 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,2,0,0,0,0|0,0,1]=3 16792 B13R0.1 CC(=O)CCCC(=O)CCOCCO 1458a_100011229844_100011215641 [0,2,0,0,0,0|1,0,1]=4 16793 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [0,2,0,0,0,0|1,0,0]=3 16794 B13R0.1 CC(=O)CCCN(C)CCOCCO 269982a_100000228057_100011215641 [0,2,0,0,0,0|2,0,0]=4 16795 B13R0.1 CC(=O)NCCC(=O)CCCCCF 1458a_100000183196_100000729378 [0,2,0,0,0,0|1,0,1]=4 16796 B13R0.1 CC(=O)NCCC(=O)CCCCCO 1458a_100000183196_100000746330 [0,2,0,0,0,0|1,0,1]=4 16797 B13R0.1 CC(=O)NCCC(=O)CCCCCO 1458a_100102619762_100000189650 [0,2,0,0,0,0|1,0,1]=4 16798 B13R0.1 CC(=O)NCCN(C)CCCCCO 2230a_100000722520_100000189650 [0,2,0,0,0,0|2,0,0]=4 16799 B13R0.1 CC(=O)NCCN(C)CCCCCO 269982a_100000722520_100000189650 [0,2,0,0,0,0|2,0,0]=4 16800 B13R0.1 CC(=O)OCCC(=O)CCCCCO 1458a_100102619762_100009814007 [0,2,0,0,0,0|1,0,1]=4 16801 B13R0.1 CC(=O)OCCN(C)CCCCCO 269982a_100000722520_100009814007 [0,2,0,0,0,0|2,0,0]=4 16802 B13R0.1 CC(=O)SCCC(=O)CCCCCF 1458a_100000048949_100000729378 [0,2,0,0,0,0|1,0,1]=4 16803 B13R0.1 CC(=O)SCCC(=O)CCCCCO 1458a_100000048949_100000746330 [0,2,0,0,0,0|1,0,1]=4 16804 B13R0.1 CC(CCCC(=O)[O-])OCCCCF 7a_100000761597_100000729493 [0,2,0,0,0,0|2,0,0]=4 16805 B13R0.1 CC(CCCC(=O)[O-])OCCCCO 7a_100000761597_100000210776 [0,2,0,0,0,0|2,0,0]=4 16806 B13R0.1 CCC/C=C/CC(=O)CCCC(=O)C 1458a_200016266809_100011215641 [0,2,0,0,0,0|0,0,2]=4 16807 B13R0.1 CCCCC=CC(=O)CCCC(=O)C 1458a_100016266645_100011215641 [0,2,0,0,0,0|0,0,2]=4 16808 B13R0.1 CCCCCCC(=O)CCC=C(C)C 1458a_100102632555_100011217483 [0,2,0,0,0,0|1,0,1]=4 16809 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,2,0,0,0,0|0,0,0]=2 16810 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,2,0,0,0,0|1,0,0]=3 16811 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210757 [0,2,0,0,0,0|1,0,1]=4 16812 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100102632555_100011214892 [0,2,0,0,0,0|1,0,1]=4 16813 B13R0.1 CCCCCCC(=O)CCCC(C)O 1458a_100102632555_200000718107 [0,2,0,0,0,0|0,0,2]=4 16814 B13R0.1 CCCCCCC(=O)CCCN(C)C 1458a_100102632555_100000695564 [0,2,0,0,0,0|2,0,0]=4 16815 B13R0.1 CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210757 [0,2,0,0,0,0|2,0,0]=4 16816 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,2,0,0,0,0|0,0,1]=3 16817 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,2,0,0,0,0|0,0,1]=3 16818 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,2,0,0,0,0|1,0,1]=4 16819 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,2,0,0,0,0|1,0,1]=4 16820 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,2,0,0,0,0|0,0,1]=3 16821 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,2,0,0,0,0|1,0,1]=4 16822 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,2,0,0,0,0|0,0,1]=3 16823 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,2,0,0,0,0|1,0,1]=4 16824 B13R0.1 CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 16825 B13R0.1 CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 16826 B13R0.1 CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 16827 B13R0.1 CCCCCCC(C)CCOC(C)C 34a_200011024964_100000210206 [0,2,0,0,0,0|1,0,1]=4 16828 B13R0.1 CCCCCCC(C)CCOC(C)C 7a_200011024964_100000210206 [0,2,0,0,0,0|1,0,1]=4 16829 B13R0.1 CCCCCCC(C)NCC=C(C)C 2230a_100000210919_100000761012 [0,2,0,0,0,0|1,0,1]=4 16830 B13R0.1 CCCCCCC(C)NCC=C(C)C 270004a_100000718196_100000210826 [0,2,0,0,0,0|1,0,1]=4 16831 B13R0.1 CCCCCCC(C)NCC=C(C)C 34a_100000210919_100000761012 [0,2,0,0,0,0|1,0,1]=4 16832 B13R0.1 CCCCCCC(C)NCC=C(C)C 34a_100000718196_100011215978 [0,2,0,0,0,0|1,0,1]=4 16833 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [0,2,0,0,0,0|1,0,0]=3 16834 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [0,2,0,0,0,0|1,0,0]=3 16835 B13R0.1 CCCCCCC(C)NCCC(C)C 2230a_100000210919_100000210312 [0,2,0,0,0,0|1,0,1]=4 16836 B13R0.1 CCCCCCC(C)NCCC(C)C 269862a_100000210919_100000185833 [0,2,0,0,0,0|1,0,1]=4 16837 B13R0.1 CCCCCCC(C)NCCC(C)C 270004a_100000210545_100000210826 [0,2,0,0,0,0|1,0,1]=4 16838 B13R0.1 CCCCCCC(C)NCCC(C)C 34a_100000210919_100000210312 [0,2,0,0,0,0|1,0,1]=4 16839 B13R0.1 CCCCCCC(C)NCCC(C)O 2230a_100000210919_100012276601 [0,2,0,0,0,0|0,0,2]=4 16840 B13R0.1 CCCCCCC(C)NCCC(C)O 2230a_200000755665_100011215978 [0,2,0,0,0,0|0,0,2]=4 16841 B13R0.1 CCCCCCC(C)NCCC(C)O 270004a_200000755665_100000210826 [0,2,0,0,0,0|0,0,2]=4 16842 B13R0.1 CCCCCCC(C)NCCC(C)O 34a_100000210919_100012276601 [0,2,0,0,0,0|0,0,2]=4 16843 B13R0.1 CCCCCCC(C)NCCN(C)C 270004a_100000210585_100000210826 [0,2,0,0,0,0|2,0,0]=4 16844 B13R0.1 CCCCCCC(C)NCOC(=O)C 34a_100000210919_100009813279 [0,2,0,0,0,0|1,0,0]=3 16845 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [0,2,0,0,0,0|2,0,0]=4 16846 B13R0.1 CCCCCCC(C)OCC=C(C)C 34a_100000210265_100000761012 [0,2,0,0,0,0|1,0,1]=4 16847 B13R0.1 CCCCCCC(C)OCC=C(C)C 34a_100000753907_100011215978 [0,2,0,0,0,0|1,0,1]=4 16848 B13R0.1 CCCCCCC(C)OCC=C(C)C 7a_100000210265_100000761012 [0,2,0,0,0,0|1,0,1]=4 16849 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [0,2,0,0,0,0|0,0,0]=2 16850 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [0,2,0,0,0,0|0,0,0]=2 16851 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [0,2,0,0,0,0|0,0,0]=2 16852 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [0,2,0,0,0,0|1,0,0]=3 16853 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [0,2,0,0,0,0|1,0,0]=3 16854 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [0,2,0,0,0,0|1,0,0]=3 16855 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [0,2,0,0,0,0|1,0,0]=3 16856 B13R0.1 CCCCCCC(C)OCCC(C)Br 34a_100009893172_100011215978 [0,2,0,0,0,0|1,0,1]=4 16857 B13R0.1 CCCCCCC(C)OCCC(C)C 34a_100000210254_100011215978 [0,2,0,0,0,0|1,0,1]=4 16858 B13R0.1 CCCCCCC(C)OCCC(C)C 34a_100000210265_100000210312 [0,2,0,0,0,0|1,0,1]=4 16859 B13R0.1 CCCCCCC(C)OCCC(C)C 7a_100000210254_100011215978 [0,2,0,0,0,0|1,0,1]=4 16860 B13R0.1 CCCCCCC(C)OCCC(C)C 7a_100000210265_100000210626 [0,2,0,0,0,0|1,0,1]=4 16861 B13R0.1 CCCCCCC(C)OCCC(C)O 34a_100000210265_100012276601 [0,2,0,0,0,0|0,0,2]=4 16862 B13R0.1 CCCCCCC(C)OCCC(C)O 7a_100000210265_100012276601 [0,2,0,0,0,0|0,0,2]=4 16863 B13R0.1 CCCCCCC(C)OCCN(C)C 7a_100000210265_100000755713 [0,2,0,0,0,0|2,0,0]=4 16864 B13R0.1 CCCCCCC(C)OCC[C@@H](C)N 34a_100000706166_100011215978 [0,2,0,0,0,0|1,0,1]=4 16865 B13R0.1 CCCCCCC(C)OCOC(=O)C 34a_100000210265_100009813279 [0,2,0,0,0,0|1,0,0]=3 16866 B13R0.1 CCCCCCC(C)SCC=C(C)C 62a_100000761012_100011215978 [0,2,0,0,0,0|1,0,1]=4 16867 B13R0.1 CCCCCCC(C)SCC=C(C)C 62a_100011215978_100000761012 [0,2,0,0,0,0|1,0,1]=4 16868 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [0,2,0,0,0,0|0,0,0]=2 16869 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [0,2,0,0,0,0|0,0,0]=2 16870 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [0,2,0,0,0,0|1,0,0]=3 16871 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [0,2,0,0,0,0|1,0,0]=3 16872 B13R0.1 CCCCCCC(C)SCCC(C)C 62a_100000210312_100011215978 [0,2,0,0,0,0|1,0,1]=4 16873 B13R0.1 CCCCCCC(C)SCCC(C)C 62a_100011215978_100000210312 [0,2,0,0,0,0|1,0,1]=4 16874 B13R0.1 CCCCCCC(C)SCCC(C)O 62a_100011215978_100012276601 [0,2,0,0,0,0|0,0,2]=4 16875 B13R0.1 CCCCCCC(C)SCCC(C)O 62a_100012276601_100011215978 [0,2,0,0,0,0|0,0,2]=4 16876 B13R0.1 CCCCCCC(C)SCCN(C)C 62a_100011215978_100000755713 [0,2,0,0,0,0|2,0,0]=4 16877 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100000076356_100011215978 [0,2,0,0,0,0|1,0,0]=3 16878 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100011215978_100000076356 [0,2,0,0,0,0|1,0,0]=3 16879 B13R0.1 CCCCCCN(C)CCC=C(C)C 2230a_106256046315_100011217483 [0,2,0,0,0,0|1,0,1]=4 16880 B13R0.1 CCCCCCN(C)CCC=C(C)C 269982a_106256046315_100011217483 [0,2,0,0,0,0|1,0,1]=4 16881 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [0,2,0,0,0,0|0,0,0]=2 16882 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [0,2,0,0,0,0|1,0,0]=3 16883 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,2,0,0,0,0|1,0,0]=3 16884 B13R0.1 CCCCCCN(C)CCCC(C)C 2230a_106256046315_100011214892 [0,2,0,0,0,0|1,0,1]=4 16885 B13R0.1 CCCCCCN(C)CCCC(C)C 269982a_106256046315_100011214892 [0,2,0,0,0,0|1,0,1]=4 16886 B13R0.1 CCCCCCN(C)CCCC(C)O 2230a_106256046315_200000718107 [0,2,0,0,0,0|0,0,2]=4 16887 B13R0.1 CCCCCCN(C)CCCC(C)O 269982a_106256046315_200000718107 [0,2,0,0,0,0|0,0,2]=4 16888 B13R0.1 CCCCCCN(C)CCCN(C)C 269982a_100000225831_100000210757 [0,2,0,0,0,0|2,0,0]=4 16889 B13R0.1 CCCCCCN(C)CCCN(C)C 269982a_106256046315_100000757444 [0,2,0,0,0,0|2,0,0]=4 16890 B13R0.1 CCCCCCN(C)CCNC(=O)C 2230a_106256046315_100000189650 [0,2,0,0,0,0|1,0,0]=3 16891 B13R0.1 CCCCCCN(C)CCNC(=O)C 269982a_106256046315_100000189650 [0,2,0,0,0,0|1,0,0]=3 16892 B13R0.1 CCCCCCN(C)CCNC(=O)N 2230a_106256046315_200000034859 [0,2,0,0,0,0|2,0,0]=4 16893 B13R0.1 CCCCCCN(C)CCNC(=O)N 269982a_106256046315_200000034859 [0,2,0,0,0,0|2,0,0]=4 16894 B13R0.1 CCCCCCN(C)CCOC(=O)C 269982a_106256046315_100009814007 [0,2,0,0,0,0|1,0,0]=3 16895 B13R0.1 CCCCCCN(C)CCOC(=O)N 269982a_106256046315_200011214921 [0,2,0,0,0,0|2,0,0]=4 16896 B13R0.1 CCCCCNC(=O)CCNC(=O)C 11a_100000209983_100000183196 [0,2,0,0,0,0|1,0,1]=4 16897 B13R0.1 CCCCCNC(=O)CCNC(=O)C 1626a_100000209983_100000183196 [0,2,0,0,0,0|1,0,1]=4 16898 B13R0.1 CCCCCNC(=O)CCNC(=O)C 240690a_100000209983_100000183196 [0,2,0,0,0,0|1,0,1]=4 16899 B13R0.1 CCCCCNC(=O)CCNC(=O)C 527a_100000209983_100000183196 [0,2,0,0,0,0|1,0,1]=4 16900 B13R0.1 CCCCCNC(=O)CCSC(=O)C 1626a_100000209983_100000048949 [0,2,0,0,0,0|1,0,1]=4 16901 B13R0.1 CCCCCNC(=O)CCSC(=O)C 240690a_100000209983_100000048949 [0,2,0,0,0,0|1,0,1]=4 16902 B13R0.1 CCCCCNC(=O)COCC(=O)C 34a_100000211253_100000230301 [0,2,0,0,0,0|1,0,1]=4 16903 B13R0.1 CCCCCNC(C)CCC=C(C)C 270004a_100000209983_100000765506 [0,2,0,0,0,0|1,0,1]=4 16904 B13R0.1 CCCCCNC(C)CCCC(C)C 2230a_100000210607_100000210326 [0,2,0,0,0,0|1,0,1]=4 16905 B13R0.1 CCCCCNC(C)CCCC(C)C 270004a_100000209983_100000753411 [0,2,0,0,0,0|1,0,1]=4 16906 B13R0.1 CCCCCOC(C)CCC=C(C)C 34a_100102619829_100000718602 [0,2,0,0,0,0|1,0,1]=4 16907 B13R0.1 CCCCCOC(C)CCC=C(C)C 7a_100102619829_100000210326 [0,2,0,0,0,0|1,0,1]=4 16908 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [0,2,0,0,0,0|1,0,0]=3 16909 B13R0.1 CCCCCOC(C)CCCC(C)C 34a_200011218570_100000718602 [0,2,0,0,0,0|1,0,1]=4 16910 B13R0.1 CCCCCOC(C)CCCC(C)C 7a_200011218570_100000210326 [0,2,0,0,0,0|1,0,1]=4 16911 B13R0.1 CCCCNCC(C)CCC=C(C)C 270004a_100000102301_100000033009 [0,2,0,0,0,0|1,0,1]=4 16912 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,2,0,0,0,0|0,0,1]=3 16913 B13R0.1 CCCCOCC(=O)CCCC(=O)N 1458a_100000757543_100102525003 [0,2,0,0,0,0|1,0,1]=4 16914 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000183196_100011995733 [0,2,0,0,0,0|1,0,1]=4 16915 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000757543_100000189650 [0,2,0,0,0,0|1,0,1]=4 16916 B13R0.1 CCCCOCC(=O)CCOC(=O)C 1458a_100000757543_100009814007 [0,2,0,0,0,0|1,0,1]=4 16917 B13R0.1 CCCCOCC(=O)CCSC(=O)C 1458a_100000048949_100011995733 [0,2,0,0,0,0|1,0,1]=4 16918 B13R0.1 CCCCOCC(C)OCCC(=O)C 7a_100011217071_100000053229 [0,2,0,0,0,0|1,0,0]=3 16919 B13R0.1 CCCCOCC(C)OCCC(=O)N 34a_100011217071_100000731001 [0,2,0,0,0,0|2,0,0]=4 16920 B13R0.1 CCCCOCC(C)OCCC(=O)N 7a_100011217071_100000744528 [0,2,0,0,0,0|2,0,0]=4 16921 B13R0.1 CCCCOCC(C)OCOC(=O)C 34a_100011217071_100009813279 [0,2,0,0,0,0|2,0,0]=4 16922 B13R0.1 CCCCOCN(C)CCCC(=O)O 269956a_100000719178_100011995733 [0,2,0,0,0,0|2,0,0]=4 16923 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,2,0,0,0,0|0,0,1]=3 16924 B13R0.1 CCCCSCC(=O)CCCC(=O)N 1458a_100000191162_100102525003 [0,2,0,0,0,0|1,0,1]=4 16925 B13R0.1 CCCCSCC(=O)CCNC(=O)C 1458a_100000191162_100000189650 [0,2,0,0,0,0|1,0,1]=4 16926 B13R0.1 CCCCSCC(=O)CCOC(=O)C 1458a_100000191162_100009814007 [0,2,0,0,0,0|1,0,1]=4 16927 B13R0.1 CCCNCCC(C)CCC=C(C)C 269862a_100020643023_100000212096 [0,2,0,0,0,0|1,0,1]=4 16928 B13R0.1 CCCNCCC(C)CCC=C(C)C 270004a_100020643023_100000212096 [0,2,0,0,0,0|1,0,1]=4 16929 B13R0.1 CCCNCCC(C)CCCC(C)C 2230a_102516457229_100000210303 [0,2,0,0,0,0|1,0,1]=4 16930 B13R0.1 CCCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215938 [0,2,0,0,0,0|1,0,1]=4 16931 B13R0.1 CCCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215938 [0,2,0,0,0,0|1,0,1]=4 16932 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000017536_100000210303 [0,2,0,0,0,0|1,0,1]=4 16933 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000210258_100009814015 [0,2,0,0,0,0|1,0,1]=4 16934 B13R0.1 CCCOCCC(C)CCC=C(C)C 7a_100000017536_100000210303 [0,2,0,0,0,0|1,0,1]=4 16935 B13R0.1 CCCOCCC(C)CCCC(C)C 34a_100000015991_100000210303 [0,2,0,0,0,0|1,0,1]=4 16936 B13R0.1 CCCOCCC(C)CCCC(C)C 34a_100000210258_100009816328 [0,2,0,0,0,0|1,0,1]=4 16937 B13R0.1 CCCOCCC(C)CCCC(C)C 7a_100000015991_100000210303 [0,2,0,0,0,0|1,0,1]=4 16938 B13R0.1 CCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011215938 [0,2,0,0,0,0|2,0,0]=4 16939 B13R0.1 CCCSCCC(C)CCC=C(C)C 62a_100000210303_100009814015 [0,2,0,0,0,0|1,0,1]=4 16940 B13R0.1 CCCSCCC(C)CCC=C(C)C 62a_100009814015_100000210303 [0,2,0,0,0,0|1,0,1]=4 16941 B13R0.1 CCCSCCC(C)CCCC(C)C 62a_100000210303_100009816328 [0,2,0,0,0,0|1,0,1]=4 16942 B13R0.1 CCCSCCC(C)CCCC(C)C 62a_100009816328_100000210303 [0,2,0,0,0,0|1,0,1]=4 16943 B13R0.1 CCOCCCC(=O)CCNC(=O)C 1458a_100000183196_100012232248 [0,2,0,0,0,0|1,0,1]=4 16944 B13R0.1 CCOCCCC(=O)CCSC(=O)C 1458a_100000048949_100012232248 [0,2,0,0,0,0|1,0,1]=4 16945 B13R0.1 CCOCCCN(C)CCCC(=O)O 269956a_100000719178_100012232248 [0,2,0,0,0,0|2,0,0]=4 16946 B13R0.1 CCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215890 [0,2,0,0,0,0|2,0,0]=4 16947 B13R0.1 CCSCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000757381 [0,2,0,0,0,0|2,0,0]=4 16948 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,2,0,0,0,0|2,0,0]=4 16949 B13R0.1 CN(CCCCCO)CCCC(=O)N 269982a_100000722520_100102525003 [0,2,0,0,0,0|2,0,0]=4 16950 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,2,0,0,0,0|2,0,0]=4 16951 B13R0.1 COCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000755781 [0,2,0,0,0,0|1,0,1]=4 16952 B13R0.1 COCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000755781 [0,2,0,0,0,0|1,0,1]=4 16953 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,2,0,0,0,0|2,0,0]=4 16954 B13R0.1 COCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000740836 [0,2,0,0,0,0|2,0,0]=4 16955 B13R0.1 COCCOCC(=O)CCCC(=O)C 1458a_100000211095_100011215641 [0,2,0,0,0,0|1,0,1]=4 16956 B13R0.1 NC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100102525003 [0,2,0,0,0,0|1,0,1]=4 16957 B13R0.139 C=C(C)CCC(=O)C(C)CCCCC 1458a_100011215998_100000730704 [0,2,0,0,0,0|1,0,1]=4 16958 B13R0.139 C=C(C)CCC(=O)C(C)CCCCC 1458a_200000688413_200011218191 [0,2,0,0,0,0|1,0,1]=4 16959 B13R0.139 C=C(C)CCC(C)N(C)CCCCC 270004a_100000223495_100011215600 [0,2,0,0,0,0|2,0,0]=4 16960 B13R0.139 CCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210326 [0,2,0,0,0,0|1,0,1]=4 16961 B13R0.139 CCCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011218191 [0,2,0,0,0,0|1,0,1]=4 16962 B13R0.139 CCCCCC(C)C(=O)CNC(=O)C 1458a_100000194580_200011218191 [0,2,0,0,0,0|1,0,1]=4 16963 B13R0.139 CCCCCC(C)C(=O)COC(=O)C 1458a_100000183556_200011218191 [0,2,0,0,0,0|1,0,1]=4 16964 B13R0.139 CCCCCC(C)C(=O)CSC(=O)C 1458a_100000049016_200011218191 [0,2,0,0,0,0|1,0,1]=4 16965 B13R0.139 CCCCCC(C)N(C)CCC(=O)N 2230a_100000730477_200011218191 [0,2,0,0,0,0|2,0,0]=4 16966 B13R0.139 CCCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000211708 [0,2,0,0,0,0|2,0,0]=4 16967 B13R0.139 CCCCCN(C)C(C)COC(=O)C 270004a_100000223495_100000000629 [0,2,0,0,0,0|2,0,0]=4 16968 B13R0.153 C#CC(CCCCC)OCCC(=C)C 34a_100011216489_100000730704 [0,2,0,0,0,0|2,0,0]=4 16969 B13R0.153 C#CC(CCCCC)OCCC(=C)C 7a_100011216489_100000730704 [0,2,0,0,0,0|2,0,0]=4 16970 B13R0.153 C#CC(CCCCC)OCCC(=O)C 7a_100011216489_100000053229 [0,2,0,0,0,0|1,0,0]=3 16971 B13R0.153 C#CC(CCCCC)OCCC(=O)N 34a_100011216489_100000731001 [0,2,0,0,0,0|2,0,0]=4 16972 B13R0.153 C#CC(CCCCC)OCCC(=O)N 7a_100011216489_100000744528 [0,2,0,0,0,0|2,0,0]=4 16973 B13R0.153 C#CC(CCCCC)OCOC(=O)C 34a_100011216489_100009813279 [0,2,0,0,0,0|2,0,0]=4 16974 B13R0.153 C=C(C)CCOC(CC)CCCCC 34a_100011215405_100000730704 [0,2,0,0,0,0|2,0,0]=4 16975 B13R0.153 C=C(C)CCOC(CC)CCCCC 7a_100011215405_100000730704 [0,2,0,0,0,0|2,0,0]=4 16976 B13R0.153 C=CC(CCCCC)OCCC(=C)C 34a_100011216863_100000730704 [0,2,0,0,0,0|2,0,0]=4 16977 B13R0.153 C=CC(CCCCC)OCCC(=C)C 7a_100011216863_100000730704 [0,2,0,0,0,0|2,0,0]=4 16978 B13R0.153 C=CC(CCCCC)OCCC(=O)C 7a_100011216863_100000053229 [0,2,0,0,0,0|1,0,0]=3 16979 B13R0.153 C=CC(CCCCC)OCCC(=O)N 34a_100011216863_100000731001 [0,2,0,0,0,0|2,0,0]=4 16980 B13R0.153 C=CC(CCCCC)OCCC(=O)N 7a_100011216863_100000744528 [0,2,0,0,0,0|2,0,0]=4 16981 B13R0.153 C=CC(CCCCC)OCOC(=O)C 34a_100011216863_100009813279 [0,2,0,0,0,0|2,0,0]=4 16982 B13R0.153 CCCCCC(CC)OCCC(=O)C 7a_100011215405_100000053229 [0,2,0,0,0,0|1,0,0]=3 16983 B13R0.153 CCCCCC(CC)OCCC(=O)N 34a_100011215405_100000731001 [0,2,0,0,0,0|2,0,0]=4 16984 B13R0.153 CCCCCC(CC)OCCC(=O)N 7a_100011215405_100000744528 [0,2,0,0,0,0|2,0,0]=4 16985 B13R0.153 CCCCCC(CC)OCOC(=O)C 34a_100011215405_100009813279 [0,2,0,0,0,0|2,0,0]=4 16986 B13R0.153 CCCCCC(CCCC(=O)[O-])OC 7a_100020618878_200000210301 [0,2,0,0,0,0|1,0,0]=3 16987 B13R0.153 CCCCCC(CCCC(=O)[O-])O[13CH3] 7a_100020618878_200025704644 [0,2,0,0,0,0|1,0,0]=3 16988 B13R0.153 CCN(CCCCO)CCCC(=O)C 269982a_100011217355_100011215641 [0,2,0,0,0,0|2,0,0]=4 16989 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,2,0,0,0,0|0,0,1]=3 16990 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,2,0,0,0,0|0,0,1]=3 16991 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,2,0,0,0,0|0,0,1]=3 16992 B13R0.194 CCCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210326 [0,2,0,0,0,0|1,0,1]=4 16993 B13R0.194 CCCCCC(=O)CCOC(=O)NC 1458a_100000212188_200011997002 [0,2,0,0,0,0|1,0,1]=4 16994 B13R0.194 CCCCCC(=O)CNCC(=O)NC 2230a_100000693194_200012276598 [0,2,0,0,0,0|1,0,1]=4 16995 B13R0.194 CCCCCC(=O)COCC(=O)CC 34a_100000725409_200012276598 [0,2,0,0,0,0|1,0,1]=4 16996 B13R0.194 CCCCCC(=O)COCC(=O)NC 34a_100000750040_200012276598 [0,2,0,0,0,0|1,0,1]=4 16997 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_100000747405_200012276598 [0,2,0,0,0,0|1,0,1]=4 16998 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_200012276598_100000747405 [0,2,0,0,0,0|1,0,1]=4 16999 B13R0.194 CCCCCC(=O)CSCC(=O)NC 62a_100000183359_200012276598 [0,2,0,0,0,0|1,0,1]=4 17000 B13R0.194 CCCCCC(=O)CSCC(=O)NC 62a_200012276598_100000183359 [0,2,0,0,0,0|1,0,1]=4 17001 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [0,2,0,0,0,0|1,0,1]=4 17002 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [0,2,0,0,0,0|1,0,1]=4 17003 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [0,2,0,0,0,0|1,0,1]=4 17004 B13R0.194 CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 17005 B13R0.194 CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 17006 B13R0.194 CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 17007 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [0,2,0,0,0,0|1,0,1]=4 17008 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000211957_100000737683 [0,2,0,0,0,0|1,0,0]=3 17009 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218191 [0,2,0,0,0,0|1,0,0]=3 17010 B13R0.194 CCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000211708 [0,2,0,0,0,0|1,0,0]=3 17011 B13R0.194 CCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218191 [0,2,0,0,0,0|1,0,0]=3 17012 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [0,2,0,0,0,0|1,0,0]=3 17013 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218191 [0,2,0,0,0,0|1,0,0]=3 17014 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100011215632_100012179268 [0,2,0,0,0,0|1,0,0]=3 17015 B13R0.194 CCCCCC(C)OCCC(=O)NC 7a_100011215632_100000737683 [0,2,0,0,0,0|1,0,0]=3 17016 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [0,2,0,0,0,0|1,0,0]=3 17017 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [0,2,0,0,0,0|1,0,0]=3 17018 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218191 [0,2,0,0,0,0|1,0,0]=3 17019 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_200011218191_100000737683 [0,2,0,0,0,0|1,0,0]=3 17020 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [0,2,0,0,0,0|1,0,0]=3 17021 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [0,2,0,0,0,0|1,0,0]=3 17022 B13R0.194 CCCCCC(C)SCOC(=O)OC 62a_200011218191_100000139417 [0,2,0,0,0,0|2,0,0]=4 17023 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [0,2,0,0,0,0|0,0,0]=2 17024 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [0,2,0,0,0,0|0,0,0]=2 17025 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [0,2,0,0,0,0|0,0,0]=2 17026 B13R0.194 CCCCCN(C)CCCC(=O)NC 2230a_100000223495_100000741757 [0,2,0,0,0,0|1,0,0]=3 17027 B13R0.194 CCCCCN(C)CCCC(=O)NC 269982a_100000223495_100000741757 [0,2,0,0,0,0|1,0,0]=3 17028 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [0,2,0,0,0,0|1,0,0]=3 17029 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [0,2,0,0,0,0|1,0,0]=3 17030 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [0,2,0,0,0,0|1,0,0]=3 17031 B13R0.194 CCCCCN(C)CCOC(=O)NC 269982a_100000223495_200011997002 [0,2,0,0,0,0|2,0,0]=4 17032 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 17033 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 17034 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 17035 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [0,2,0,0,0,0|1,0,1]=4 17036 B13R0.194 CCCOCC(=O)CCCC(=O)NC 1458a_100000745993_100000741757 [0,2,0,0,0,0|1,0,1]=4 17037 B13R0.194 CCCOCC(=O)CCCC(=O)OC 1458a_100000745993_100011218270 [0,2,0,0,0,0|1,0,1]=4 17038 B13R0.194 CCCSCC(=O)CCCC(=O)NC 1458a_100000217233_100000741757 [0,2,0,0,0,0|1,0,1]=4 17039 B13R0.194 CCCSCC(=O)CCCC(=O)OC 1458a_100000217233_100011218270 [0,2,0,0,0,0|1,0,1]=4 17040 B13R0.194 CCCSCC(C)NCCC(=O)NC 270004a_100000738227_100011343953 [0,2,0,0,0,0|2,0,0]=4 17041 B13R0.194 CCOCCC(=O)CCCC(=O)NC 1458a_100000749530_100000741757 [0,2,0,0,0,0|1,0,1]=4 17042 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215890 [0,2,0,0,0,0|1,0,1]=4 17043 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000749530_100011218270 [0,2,0,0,0,0|1,0,1]=4 17044 B13R0.194 CCOCCC(C)NCCC(=O)NC 270004a_100000738227_200011216536 [0,2,0,0,0,0|2,0,0]=4 17045 B13R0.194 CCOCCN(C)CCCC(=O)OC 269982a_100000739225_100011215890 [0,2,0,0,0,0|2,0,0]=4 17046 B13R0.194 CCSCCC(=O)CCCC(=O)NC 1458a_100000230768_100000741757 [0,2,0,0,0,0|1,0,1]=4 17047 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000230768_100011218270 [0,2,0,0,0,0|1,0,1]=4 17048 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757381 [0,2,0,0,0,0|1,0,1]=4 17049 B13R0.194 CCSCCN(C)CCCC(=O)OC 269982a_100000739225_100000757381 [0,2,0,0,0,0|2,0,0]=4 17050 B13R0.194 CNC(=O)CCCC(=O)CCCCO 1458a_100000695505_100000741757 [0,2,0,0,0,0|1,0,1]=4 17051 B13R0.194 CNC(=O)CCCC(=O)CCCOC 1458a_100000741012_100000741757 [0,2,0,0,0,0|1,0,1]=4 17052 B13R0.194 CNC(=O)CCCC(=O)CCCSC 1458a_100000173376_100000741757 [0,2,0,0,0,0|1,0,1]=4 17053 B13R0.194 CNC(=O)CCCN(C)CCCCO 2230a_100000717598_100000741757 [0,2,0,0,0,0|2,0,0]=4 17054 B13R0.194 CNC(=O)CCCN(C)CCCCO 269982a_100000717598_100000741757 [0,2,0,0,0,0|2,0,0]=4 17055 B13R0.194 CNC(=O)CCCN(C)CCCOC 2230a_100000224831_100000741757 [0,2,0,0,0,0|2,0,0]=4 17056 B13R0.194 CNC(=O)CCCN(C)CCCOC 269982a_100000224831_100000741757 [0,2,0,0,0,0|2,0,0]=4 17057 B13R0.194 CNC(=O)CCNC(C)CCCSC 270004a_100000738227_100011399439 [0,2,0,0,0,0|2,0,0]=4 17058 B13R0.194 CNC(=O)CCOC(C)CCCOC 34a_200011539412_100012179268 [0,2,0,0,0,0|2,0,0]=4 17059 B13R0.194 CNC(=O)CCOC(C)CCCOC 7a_200011539412_100000737683 [0,2,0,0,0,0|2,0,0]=4 17060 B13R0.194 CNC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000183359 [0,2,0,0,0,0|2,0,0]=4 17061 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [0,2,0,0,0,0|1,0,1]=4 17062 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [0,2,0,0,0,0|1,0,1]=4 17063 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [0,2,0,0,0,0|1,0,1]=4 17064 B13R0.194 COC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011218270 [0,2,0,0,0,0|1,0,1]=4 17065 B13R0.194 COC(=O)CCCN(C)CCCCF 269982a_100000739225_100000729493 [0,2,0,0,0,0|2,0,0]=4 17066 B13R0.194 COC(=O)CCCN(C)CCCCO 2230a_100000717598_100011218270 [0,2,0,0,0,0|2,0,0]=4 17067 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000717598_100011218270 [0,2,0,0,0,0|2,0,0]=4 17068 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000739225_100000210776 [0,2,0,0,0,0|2,0,0]=4 17069 B13R0.194 COC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000747449 [0,2,0,0,0,0|2,0,0]=4 17070 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000740836 [0,2,0,0,0,0|1,0,1]=4 17071 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000741012_100011218270 [0,2,0,0,0,0|1,0,1]=4 17072 B13R0.194 COCCCC(C)OCCC(=O)OC 34a_200011539412_100000742370 [0,2,0,0,0,0|2,0,0]=4 17073 B13R0.194 COCCCC(C)OCCC(=O)OC 7a_200011539412_100000204255 [0,2,0,0,0,0|2,0,0]=4 17074 B13R0.194 COCCCN(C)CCCC(=O)OC 2230a_100000224831_100011218270 [0,2,0,0,0,0|2,0,0]=4 17075 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000224831_100011218270 [0,2,0,0,0,0|2,0,0]=4 17076 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000739225_100000740836 [0,2,0,0,0,0|2,0,0]=4 17077 B13R0.331 C=C(CCC)CC(=O)CCCC(=O)C 1458a_100000138376_100011215641 [0,2,0,0,0,0|0,0,2]=4 17078 B13R0.331 CCCC(C)CC(=O)CCCC(=O)C 1458a_100000748435_100011215641 [0,2,0,0,0,0|0,0,1]=3 17079 B13R0.331 CCCC(C)CC(=O)CCCC(=O)N 1458a_100000748435_100102525003 [0,2,0,0,0,0|1,0,1]=4 17080 B13R0.331 CCCC(C)CC(=O)CCNC(=O)C 1458a_100000183196_100011216630 [0,2,0,0,0,0|1,0,1]=4 17081 B13R0.331 CCCC(C)CC(=O)CCNC(=O)C 1458a_100000748435_100000189650 [0,2,0,0,0,0|1,0,1]=4 17082 B13R0.331 CCCC(C)CC(=O)CCOC(=O)C 1458a_100000748435_100009814007 [0,2,0,0,0,0|1,0,1]=4 17083 B13R0.331 CCCC(C)CC(=O)CCSC(=O)C 1458a_100000048949_100011216630 [0,2,0,0,0,0|1,0,1]=4 17084 B13R0.331 CCCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100011216630 [0,2,0,0,0,0|2,0,0]=4 17085 B13R0.331 CCCC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_100000766640 [0,2,0,0,0,0|2,0,0]=4 17086 B13R0.331 CCCS(=O)CC(=O)CCCC(=O)C 1458a_100011387404_100011215641 [0,2,0,0,0,0|1,0,1]=4 17087 B13R0.331 CCSC(C)CC(=O)CCCC(=O)C 1458a_200011311441_100011215641 [0,2,0,0,0,0|1,0,1]=4 17088 B13R0.331 COCC(O)CN(C)CCCC(=O)C 269982a_100000739405_100011215641 [0,2,0,0,0,0|2,0,0]=4 17089 B13R0.339 CCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210326 [0,2,0,0,0,0|1,0,1]=4 17090 B13R0.339 CCCCCC(=O)COC(C)C(=O)C 34a_100000212229_200012276598 [0,2,0,0,0,0|1,0,1]=4 17091 B13R0.339 CCCCCC(=O)CSC(C)C(=O)C 62a_100009814033_200012276598 [0,2,0,0,0,0|1,0,1]=4 17092 B13R0.339 CCCCCC(=O)CSC(C)C(=O)C 62a_200012276598_100009814033 [0,2,0,0,0,0|1,0,1]=4 17093 B13R0.339 CCCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011218191 [0,2,0,0,0,0|2,0,0]=4 17094 B13R0.339 CCCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011218191 [0,2,0,0,0,0|2,0,0]=4 17095 B13R0.339 CCCCCC(C)OCC(=O)C(=O)C 34a_100011215632_100011261029 [0,2,0,0,0,0|1,0,1]=4 17096 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011218191 [0,2,0,0,0,0|1,0,0]=3 17097 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011218191 [0,2,0,0,0,0|1,0,0]=3 17098 B13R0.339 CCCCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_200011218191 [0,2,0,0,0,0|2,0,0]=4 17099 B13R0.339 CCCCCC(C)SCC(=O)C(=O)C 62a_100011261029_200011218191 [0,2,0,0,0,0|1,0,1]=4 17100 B13R0.339 CCCCCC(C)SCC(=O)C(=O)C 62a_200011218191_100011261029 [0,2,0,0,0,0|1,0,1]=4 17101 B13R0.1398 C=C(C)CCNC(C)CCCC(C)C 2230a_100000210607_100000730704 [0,2,0,0,0,0|2,0,0]=4 17102 B13R0.1398 C=C(C)CCOC(C)CCCC(C)C 34a_200011218570_100000730704 [0,2,0,0,0,0|2,0,0]=4 17103 B13R0.1398 C=C(C)CCOC(C)CCCC(C)C 7a_200011218570_100000730704 [0,2,0,0,0,0|2,0,0]=4 17104 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,2,0,0,0,0|0,0,1]=3 17105 B13R0.1398 CC(=O)CCCC(=O)COCC(C)C 1458a_100011223364_100011215641 [0,2,0,0,0,0|1,0,1]=4 17106 B13R0.1398 CC(=O)CCCN(C)CCCN(C)C 269982a_100000225831_100011215641 [0,2,0,0,0,0|2,0,0]=4 17107 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000053229 [0,2,0,0,0,0|1,0,0]=3 17108 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100000183196_100011214892 [0,2,0,0,0,0|1,0,1]=4 17109 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_100000189650 [0,2,0,0,0,0|1,0,1]=4 17110 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)O 1458a_100000183196_200000718107 [0,2,0,0,0,0|1,0,1]=4 17111 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100015343762 [0,2,0,0,0,0|1,0,0]=3 17112 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100015343762 [0,2,0,0,0,0|1,0,0]=3 17113 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100103153847 [0,2,0,0,0,0|1,0,0]=3 17114 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,2,0,0,0,0|1,0,1]=4 17115 B13R0.1398 CC(=O)OCOC(C)CCCC(C)C 34a_200011218570_100009813279 [0,2,0,0,0,0|2,0,0]=4 17116 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)C 1458a_100000048949_100011214892 [0,2,0,0,0,0|1,0,1]=4 17117 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)O 1458a_100000048949_200000718107 [0,2,0,0,0,0|1,0,1]=4 17118 B13R0.1398 CC(C)CCCC(=O)CCCC(=O)N 1458a_100011216857_100102525003 [0,2,0,0,0,0|1,0,1]=4 17119 B13R0.1398 CC(C)CCCC(C)NCCC(=O)N 2230a_100000210607_100000744528 [0,2,0,0,0,0|2,0,0]=4 17120 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 34a_200011218570_100000731001 [0,2,0,0,0,0|2,0,0]=4 17121 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 7a_200011218570_100000744528 [0,2,0,0,0,0|2,0,0]=4 17122 B13R0.1398 CC(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100011214892 [0,2,0,0,0,0|2,0,0]=4 17123 B13R0.1398 CC(C)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210626 [0,2,0,0,0,0|2,0,0]=4 17124 B13R0.1398 CC(O)CCCN(C)CCCC(=O)O 269956a_100000719178_200000718107 [0,2,0,0,0,0|2,0,0]=4 17125 B13R0.1398 CC(O)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100012276601 [0,2,0,0,0,0|2,0,0]=4 17126 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,2,0,0,0,0|1,0,1]=4 17127 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,2,0,0,0,0|1,0,1]=4 17128 B13R0.54 C#CCCCCCCCOCC(=C)C 34a_100000054614_100000748629 [0,2,0,0,0,0|1,0,1]=4 17129 B13R0.54 C#CCCCCCCCOCC(=C)C 34a_100000210245_100153394163 [0,2,0,0,0,0|1,0,1]=4 17130 B13R0.54 C#CCCCCCCCOCC(=C)C 7a_100000054614_100000748629 [0,2,0,0,0,0|1,0,1]=4 17131 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,2,0,0,0,0|0,0,1]=3 17132 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,2,0,0,0,0|1,0,1]=4 17133 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,2,0,0,0,0|1,0,1]=4 17134 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,2,0,0,0,0|1,0,1]=4 17135 B13R0.54 C#CCCCCCCCSCC(=C)C 62a_100000748629_100153394163 [0,2,0,0,0,0|1,0,1]=4 17136 B13R0.54 C#CCCCCCCCSCC(=C)C 62a_100153394163_100000211660 [0,2,0,0,0,0|1,0,1]=4 17137 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,2,0,0,0,0|1,0,1]=4 17138 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,2,0,0,0,0|1,0,1]=4 17139 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,2,0,0,0,0|1,0,1]=4 17140 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,2,0,0,0,0|1,0,1]=4 17141 B13R0.54 C#CCCCCCCOCCC(=C)C 34a_100000764851_100012276617 [0,2,0,0,0,0|1,0,1]=4 17142 B13R0.54 C#CCCCCCCOCCC(=C)C 34a_100011217361_100000730704 [0,2,0,0,0,0|1,0,1]=4 17143 B13R0.54 C#CCCCCCCOCCC(=C)C 7a_100011217361_100000730704 [0,2,0,0,0,0|1,0,1]=4 17144 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,2,0,0,0,0|0,0,1]=3 17145 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,2,0,0,0,0|0,0,1]=3 17146 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,2,0,0,0,0|0,0,1]=3 17147 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,2,0,0,0,0|1,0,1]=4 17148 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,2,0,0,0,0|1,0,1]=4 17149 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,2,0,0,0,0|1,0,1]=4 17150 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,2,0,0,0,0|1,0,1]=4 17151 B13R0.54 C#CCCCCCCOCOC(=O)C 34a_100011217361_100009813279 [0,2,0,0,0,0|0,0,2]=4 17152 B13R0.54 C#CCCCCCCSCCC(=C)C 62a_100000730704_100012276617 [0,2,0,0,0,0|1,0,1]=4 17153 B13R0.54 C#CCCCCCCSCCC(=C)C 62a_100012276617_100000730704 [0,2,0,0,0,0|1,0,1]=4 17154 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,2,0,0,0,0|0,0,1]=3 17155 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,2,0,0,0,0|0,0,1]=3 17156 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,2,0,0,0,0|1,0,1]=4 17157 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,2,0,0,0,0|1,0,1]=4 17158 B13R0.54 C#CCCCCCCSCOC(=O)C 62a_100000076356_100012276617 [0,2,0,0,0,0|0,0,2]=4 17159 B13R0.54 C#CCCCCCCSCOC(=O)C 62a_100012276617_100000076356 [0,2,0,0,0,0|0,0,2]=4 17160 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,2,0,0,0,0|1,0,1]=4 17161 B13R0.54 C#CCCCCCNCCCS(=O)C 2230a_200000753449_100012094781 [0,2,0,0,0,0|1,0,1]=4 17162 B13R0.54 C#CCCCCCNCCNC(=O)C 2230a_100000209853_100012094781 [0,2,0,0,0,0|0,0,2]=4 17163 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,2,0,0,0,0|0,0,1]=3 17164 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,2,0,0,0,0|0,0,1]=3 17165 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,2,0,0,0,0|0,0,1]=3 17166 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,2,0,0,0,0|0,0,1]=3 17167 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,2,0,0,0,0|1,0,1]=4 17168 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,2,0,0,0,0|1,0,1]=4 17169 B13R0.54 C#CCCCCCOCCNC(=O)C 34a_100000158858_100012094781 [0,2,0,0,0,0|0,0,2]=4 17170 B13R0.54 C#CCCCCCOCCNC(=O)C 7a_100000766912_100000189650 [0,2,0,0,0,0|0,0,2]=4 17171 B13R0.54 C#CCCCCCOCCOC(=O)C 34a_100000766912_100009814007 [0,2,0,0,0,0|0,0,2]=4 17172 B13R0.54 C#CCCCCCOCCOC(=O)C 7a_100000766912_100009814007 [0,2,0,0,0,0|0,0,2]=4 17173 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,2,0,0,0,0|0,0,1]=3 17174 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,2,0,0,0,0|0,0,1]=3 17175 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,2,0,0,0,0|1,0,1]=4 17176 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,2,0,0,0,0|1,0,1]=4 17177 B13R0.54 C#CCCCCCSCCNC(=O)C 62a_100000189650_100012094781 [0,2,0,0,0,0|0,0,2]=4 17178 B13R0.54 C#CCCCCCSCCNC(=O)C 62a_100012094781_100000189650 [0,2,0,0,0,0|0,0,2]=4 17179 B13R0.54 C#CCCCCCSCCOC(=O)C 62a_100009814007_100012094781 [0,2,0,0,0,0|0,0,2]=4 17180 B13R0.54 C#CCCCCCSCCOC(=O)C 62a_100012094781_100009814007 [0,2,0,0,0,0|0,0,2]=4 17181 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,2,0,0,0,0|0,0,1]=3 17182 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,2,0,0,0,0|1,0,1]=4 17183 B13R0.54 C#CCCCCNCCCNC(=O)C 34a_100000736810_100010269958 [0,2,0,0,0,0|0,0,2]=4 17184 B13R0.54 C#CCCCCNCCCOC(=O)C 34a_100000706060_100000042594 [0,2,0,0,0,0|0,0,2]=4 17185 B13R0.54 C#CCCCCNCCCSC(=O)C 2230a_100000706060_100000038929 [0,2,0,0,0,0|0,0,2]=4 17186 B13R0.54 C#CCCCCNCCCSC(=O)C 34a_100000706060_100000038929 [0,2,0,0,0,0|0,0,2]=4 17187 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,2,0,0,0,0|0,0,1]=3 17188 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,2,0,0,0,0|0,0,1]=3 17189 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,2,0,0,0,0|1,0,1]=4 17190 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,2,0,0,0,0|1,0,1]=4 17191 B13R0.54 C#CCCCCOCCCNC(=O)C 34a_100000752032_100010269958 [0,2,0,0,0,0|0,0,2]=4 17192 B13R0.54 C#CCCCCOCCCOC(=O)C 34a_100000766709_100000042594 [0,2,0,0,0,0|0,0,2]=4 17193 B13R0.54 C#CCCCCOCCCOC(=O)C 7a_100000766709_100000042594 [0,2,0,0,0,0|0,0,2]=4 17194 B13R0.54 C#CCCCCOCCCSC(=O)C 34a_100000766709_100000038929 [0,2,0,0,0,0|0,0,2]=4 17195 B13R0.54 C#CCCCCOCCCSC(=O)C 7a_100000766709_100000038929 [0,2,0,0,0,0|0,0,2]=4 17196 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,2,0,0,0,0|0,0,1]=3 17197 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,2,0,0,0,0|0,0,1]=3 17198 B13R0.54 C#CCCCCSCCCOC(=O)C 62a_100000042594_100010269958 [0,2,0,0,0,0|0,0,2]=4 17199 B13R0.54 C#CCCCCSCCCOC(=O)C 62a_100010269958_100000042594 [0,2,0,0,0,0|0,0,2]=4 17200 B13R0.54 C#CCCCCSCCCSC(=O)C 62a_100000038929_100010269958 [0,2,0,0,0,0|0,0,2]=4 17201 B13R0.54 C#CCCCCSCCCSC(=O)C 62a_100010269958_100000038929 [0,2,0,0,0,0|0,0,2]=4 17202 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,2,0,0,0,0|1,0,1]=4 17203 B13R0.54 C#CCCCNCCCCNC(=O)C 2230a_200011368371_100000731252 [0,2,0,0,0,0|0,0,2]=4 17204 B13R0.54 C#CCCCNCCCCNC(=O)C 34a_200011368371_100000695029 [0,2,0,0,0,0|0,0,2]=4 17205 B13R0.54 C#CCCCNCCCCOC(=O)C 34a_100000718082_100000033659 [0,2,0,0,0,0|0,0,2]=4 17206 B13R0.54 C#CCCCNCCCCSC(=O)C 34a_100000718082_200010402107 [0,2,0,0,0,0|0,0,2]=4 17207 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,2,0,0,0,0|1,0,1]=4 17208 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,2,0,0,0,0|1,0,1]=4 17209 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,2,0,0,0,0|1,0,1]=4 17210 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,2,0,0,0,0|1,0,1]=4 17211 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,2,0,0,0,0|1,0,1]=4 17212 B13R0.54 C#CCCCOCCCCOC(=O)C 34a_100000073216_100000695029 [0,2,0,0,0,0|0,0,2]=4 17213 B13R0.54 C#CCCCOCCCCOC(=O)C 34a_100000215630_100000033659 [0,2,0,0,0,0|0,0,2]=4 17214 B13R0.54 C#CCCCOCCCCOC(=O)C 7a_100000073216_100011215417 [0,2,0,0,0,0|0,0,2]=4 17215 B13R0.54 C#CCCCOCCCCOC(=O)C 7a_100000215630_100000033659 [0,2,0,0,0,0|0,0,2]=4 17216 B13R0.54 C#CCCCOCCCCSC(=O)C 34a_100000215630_200010402107 [0,2,0,0,0,0|0,0,2]=4 17217 B13R0.54 C#CCCCOCCCCSC(=O)C 7a_100000215630_200010402107 [0,2,0,0,0,0|0,0,2]=4 17218 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,2,0,0,0,0|1,0,1]=4 17219 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,2,0,0,0,0|1,0,1]=4 17220 B13R0.54 C#CCCCSCCCCOC(=O)C 62a_100000033659_100011215417 [0,2,0,0,0,0|0,0,2]=4 17221 B13R0.54 C#CCCCSCCCCOC(=O)C 62a_100011215417_100000033659 [0,2,0,0,0,0|0,0,2]=4 17222 B13R0.54 C#CCCCSCCCCSC(=O)C 62a_100011215417_200010402107 [0,2,0,0,0,0|0,0,2]=4 17223 B13R0.54 C#CCCCSCCCCSC(=O)C 62a_200010402107_100011215417 [0,2,0,0,0,0|0,0,2]=4 17224 B13R0.54 C#CCCNCCCCCNC(=O)C 2230a_200012022750_100000688953 [0,2,0,0,0,0|0,0,2]=4 17225 B13R0.54 C#CCCNCCCCCNC(=O)C 34a_200012022750_100000688953 [0,2,0,0,0,0|0,0,2]=4 17226 B13R0.54 C#CCCNCCCCCOC(=O)C 34a_100000755551_100000033007 [0,2,0,0,0,0|0,0,2]=4 17227 B13R0.54 C#CCCOCCCCCOC(=O)C 34a_100011215631_100000033007 [0,2,0,0,0,0|0,0,2]=4 17228 B13R0.54 C#CCCSCCCCCOC(=O)C 62a_100000033007_100000688953 [0,2,0,0,0,0|0,0,2]=4 17229 B13R0.54 C#CCCSCCCCCOC(=O)C 62a_100000688953_100000033007 [0,2,0,0,0,0|0,0,2]=4 17230 B13R0.54 C#CCNCCCCCCNC(=O)C 2230a_200011996284_100000038162 [0,2,0,0,0,0|0,0,2]=4 17231 B13R0.54 C#CCNCCCCCCNC(=O)C 34a_200011996284_100000184674 [0,2,0,0,0,0|0,0,2]=4 17232 B13R0.54 C#CCOCCNCCCCC(=O)C 34a_100000700922_100009817362 [0,2,0,0,0,0|0,0,2]=4 17233 B13R0.54 C#CCOCCOCCCCC(=O)C 34a_100000054580_100009817362 [0,2,0,0,0,0|0,0,2]=4 17234 B13R0.54 C#CCOCCOCCCCC(=O)C 7a_100000054580_100000735457 [0,2,0,0,0,0|0,0,2]=4 17235 B13R0.54 C#CCOCCSCCCCC(=O)C 62a_100000735457_100010402529 [0,2,0,0,0,0|0,0,2]=4 17236 B13R0.54 C#CCOCCSCCCCC(=O)C 62a_100010402529_100000735457 [0,2,0,0,0,0|0,0,2]=4 17237 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,2,0,0,0,0|1,0,1]=4 17238 B13R0.54 C/C=C/CCOCCCCOC(=O)C 34a_100016278192_100000033659 [0,2,0,0,0,0|0,0,2]=4 17239 B13R0.54 C/C=C/CCOCCCCSC(=O)C 34a_100016278192_200010402107 [0,2,0,0,0,0|0,0,2]=4 17240 B13R0.54 C/C=C/CNCCCCCNC(=O)C 34a_200012022750_100102629194 [0,2,0,0,0,0|0,0,2]=4 17241 B13R0.54 C/C=C/COCCCCCOC(=O)C 34a_100016270725_100000033007 [0,2,0,0,0,0|0,0,2]=4 17242 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100000033007_100102629194 [0,2,0,0,0,0|0,0,2]=4 17243 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100102629194_100000033007 [0,2,0,0,0,0|0,0,2]=4 17244 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,2,0,0,0,0|1,0,1]=4 17245 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,2,0,0,0,0|1,0,1]=4 17246 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,2,0,0,0,0|1,0,1]=4 17247 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,2,0,0,0,0|1,0,0]=3 17248 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,2,0,0,0,0|1,0,0]=3 17249 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,2,0,0,0,0|1,0,0]=3 17250 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,2,0,0,0,0|1,0,0]=3 17251 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,2,0,0,0,0|1,0,0]=3 17252 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,2,0,0,0,0|1,0,0]=3 17253 B13R0.54 C=C(C)CCNCCCOCCCO 2230a_100011310245_100000730704 [0,2,0,0,0,0|2,0,0]=4 17254 B13R0.54 C=C(C)CCNCCCOCCCO 34a_100011310245_100000730704 [0,2,0,0,0,0|2,0,0]=4 17255 B13R0.54 C=C(C)CCNCCCOCCOC 2230a_100000206027_100000730704 [0,2,0,0,0,0|2,0,0]=4 17256 B13R0.54 C=C(C)CCNCCCOCCOC 34a_100000206027_100000730704 [0,2,0,0,0,0|2,0,0]=4 17257 B13R0.54 C=C(C)CCNCCOCCOCC 2230a_100102712874_100000730704 [0,2,0,0,0,0|2,0,0]=4 17258 B13R0.54 C=C(C)CCNCCOCCOCC 34a_100102712874_100000730704 [0,2,0,0,0,0|2,0,0]=4 17259 B13R0.54 C=C(C)CCOC/C=C/CCCCC 34a_100016258190_100000730704 [0,2,0,0,0,0|1,0,1]=4 17260 B13R0.54 C=C(C)CCOC/C=C/CCCCC 7a_100016258190_100000730704 [0,2,0,0,0,0|1,0,1]=4 17261 B13R0.54 C=C(C)CCOCC#CCCCCC 34a_100000764851_100009816472 [0,2,0,0,0,0|1,0,1]=4 17262 B13R0.54 C=C(C)CCOCC#CCCCCC 34a_200000033628_100000730704 [0,2,0,0,0,0|1,0,1]=4 17263 B13R0.54 C=C(C)CCOCC#CCCCCC 7a_200000033628_100000730704 [0,2,0,0,0,0|1,0,1]=4 17264 B13R0.54 C=C(C)CCOCC/C=C\CCCC 34a_200016286491_100000730704 [0,2,0,0,0,0|1,0,1]=4 17265 B13R0.54 C=C(C)CCOCC/C=C\CCCC 7a_200016286491_100000730704 [0,2,0,0,0,0|1,0,1]=4 17266 B13R0.54 C=C(C)CCOCCC#CCCCC 34a_100000037610_100000730704 [0,2,0,0,0,0|1,0,1]=4 17267 B13R0.54 C=C(C)CCOCCC#CCCCC 7a_100000037610_100000730704 [0,2,0,0,0,0|1,0,1]=4 17268 B13R0.54 C=C(C)CCOCCCC/C=C\CC 34a_100016287862_100000730704 [0,2,0,0,0,0|1,0,1]=4 17269 B13R0.54 C=C(C)CCOCCCC/C=C\CC 7a_100016287862_100000730704 [0,2,0,0,0,0|1,0,1]=4 17270 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,2,0,0,0,0|1,0,0]=3 17271 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,2,0,0,0,0|1,0,0]=3 17272 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,2,0,0,0,0|1,0,0]=3 17273 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,2,0,0,0,0|1,0,0]=3 17274 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,2,0,0,0,0|1,0,0]=3 17275 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,2,0,0,0,0|1,0,0]=3 17276 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,2,0,0,0,0|1,0,0]=3 17277 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,2,0,0,0,0|1,0,0]=3 17278 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,2,0,0,0,0|1,0,0]=3 17279 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,2,0,0,0,0|1,0,0]=3 17280 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,2,0,0,0,0|1,0,0]=3 17281 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,2,0,0,0,0|1,0,0]=3 17282 B13R0.54 C=C(C)CCOCCCOCCCN 34a_100011310245_100000730704 [0,2,0,0,0,0|2,0,0]=4 17283 B13R0.54 C=C(C)CCOCCCOCCOC 34a_100000764851_100011216529 [0,2,0,0,0,0|2,0,0]=4 17284 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,2,0,0,0,0|1,0,0]=3 17285 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,2,0,0,0,0|1,0,0]=3 17286 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,2,0,0,0,0|1,0,0]=3 17287 B13R0.54 C=C(C)CCOCCOCCOCC 34a_100000210240_100000730704 [0,2,0,0,0,0|2,0,0]=4 17288 B13R0.54 C=C(C)CCOCCOCCOCC 34a_100000764851_100011211534 [0,2,0,0,0,0|2,0,0]=4 17289 B13R0.54 C=C(C)CCOCCOCCOCC 7a_100000210240_100000730704 [0,2,0,0,0,0|2,0,0]=4 17290 B13R0.54 C=C(C)CCSCC#CCCCCC 62a_100000730704_100009816472 [0,2,0,0,0,0|1,0,1]=4 17291 B13R0.54 C=C(C)CCSCC#CCCCCC 62a_100009816472_100000730704 [0,2,0,0,0,0|1,0,1]=4 17292 B13R0.54 C=C(C)CCSCCCCCCC#N 62a_100000730704_100009813337 [0,2,0,0,0,0|1,0,1]=4 17293 B13R0.54 C=C(C)CCSCCCCCCC#N 62a_100009813337_100000730704 [0,2,0,0,0,0|1,0,1]=4 17294 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,2,0,0,0,0|1,0,0]=3 17295 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,2,0,0,0,0|1,0,0]=3 17296 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,2,0,0,0,0|1,0,0]=3 17297 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,2,0,0,0,0|1,0,0]=3 17298 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,2,0,0,0,0|1,0,0]=3 17299 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,2,0,0,0,0|1,0,0]=3 17300 B13R0.54 C=C(C)CCSCCCOCCOC 62a_100000730704_100011216529 [0,2,0,0,0,0|2,0,0]=4 17301 B13R0.54 C=C(C)CCSCCCOCCOC 62a_100011216529_100000730704 [0,2,0,0,0,0|2,0,0]=4 17302 B13R0.54 C=C(C)CCSCCOCCOCC 62a_100000730704_100011211534 [0,2,0,0,0,0|2,0,0]=4 17303 B13R0.54 C=C(C)CCSCCOCCOCC 62a_100011211534_100000730704 [0,2,0,0,0,0|2,0,0]=4 17304 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,2,0,0,0,0|1,0,0]=3 17305 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,2,0,0,0,0|1,0,0]=3 17306 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,2,0,0,0,0|1,0,0]=3 17307 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,2,0,0,0,0|1,0,0]=3 17308 B13R0.54 C=C(C)CNCCOCCOCCC 2230a_200011904461_100000748629 [0,2,0,0,0,0|2,0,0]=4 17309 B13R0.54 C=C(C)CNCCOCCOCCC 34a_200011904461_100000748629 [0,2,0,0,0,0|2,0,0]=4 17310 B13R0.54 C=C(C)COC/C=C/CCCCCC 34a_200016276170_100000748629 [0,2,0,0,0,0|1,0,1]=4 17311 B13R0.54 C=C(C)COC/C=C/CCCCCC 7a_200016276170_100000748629 [0,2,0,0,0,0|1,0,1]=4 17312 B13R0.54 C=C(C)COCC#CCCCCCC 34a_200000037284_100000748629 [0,2,0,0,0,0|1,0,1]=4 17313 B13R0.54 C=C(C)COCC#CCCCCCC 7a_200000037284_100000748629 [0,2,0,0,0,0|1,0,1]=4 17314 B13R0.54 C=C(C)COCC/C=C\CCCCC 34a_100016277358_100000748629 [0,2,0,0,0,0|1,0,1]=4 17315 B13R0.54 C=C(C)COCC/C=C\CCCCC 7a_100016277358_100000748629 [0,2,0,0,0,0|1,0,1]=4 17316 B13R0.54 C=C(C)COCCC#CCCCCC 34a_200000042877_100000748629 [0,2,0,0,0,0|1,0,1]=4 17317 B13R0.54 C=C(C)COCCC#CCCCCC 7a_200000042877_100000748629 [0,2,0,0,0,0|1,0,1]=4 17318 B13R0.54 C=C(C)COCCCC#CCCCC 34a_100000210245_200000047210 [0,2,0,0,0,0|1,0,1]=4 17319 B13R0.54 C=C(C)COCCCCC/C=C\CC 34a_100016268722_100000748629 [0,2,0,0,0,0|1,0,1]=4 17320 B13R0.54 C=C(C)COCCCCC/C=C\CC 7a_100016268722_100000748629 [0,2,0,0,0,0|1,0,1]=4 17321 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,2,0,0,0,0|1,0,0]=3 17322 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,2,0,0,0,0|1,0,0]=3 17323 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,2,0,0,0,0|1,0,0]=3 17324 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,2,0,0,0,0|1,0,0]=3 17325 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,2,0,0,0,0|1,0,0]=3 17326 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,2,0,0,0,0|1,0,0]=3 17327 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,2,0,0,0,0|1,0,0]=3 17328 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,2,0,0,0,0|1,0,0]=3 17329 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,2,0,0,0,0|1,0,0]=3 17330 B13R0.54 C=C(C)COCCCCCNCCN 34a_103619048469_100000748629 [0,2,0,0,0,0|2,0,0]=4 17331 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,2,0,0,0,0|1,0,0]=3 17332 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,2,0,0,0,0|1,0,0]=3 17333 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,2,0,0,0,0|1,0,0]=3 17334 B13R0.54 C=C(C)COCCCOCCCOC 34a_200011215475_100000748629 [0,2,0,0,0,0|2,0,0]=4 17335 B13R0.54 C=C(C)COCCCOCCCOC 7a_200011215475_100000748629 [0,2,0,0,0,0|2,0,0]=4 17336 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,2,0,0,0,0|1,0,0]=3 17337 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,2,0,0,0,0|1,0,0]=3 17338 B13R0.54 C=C(C)CSCCCC#CCCCC 62a_100000748629_200000047210 [0,2,0,0,0,0|1,0,1]=4 17339 B13R0.54 C=C(C)CSCCCC#CCCCC 62a_200000047210_100000211660 [0,2,0,0,0,0|1,0,1]=4 17340 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,2,0,0,0,0|1,0,0]=3 17341 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,2,0,0,0,0|1,0,0]=3 17342 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,2,0,0,0,0|1,0,0]=3 17343 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,2,0,0,0,0|1,0,1]=4 17344 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,2,0,0,0,0|1,0,1]=4 17345 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,2,0,0,0,0|1,0,1]=4 17346 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,2,0,0,0,0|1,0,1]=4 17347 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,2,0,0,0,0|1,0,1]=4 17348 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,2,0,0,0,0|1,0,1]=4 17349 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,2,0,0,0,0|1,0,1]=4 17350 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,2,0,0,0,0|1,0,1]=4 17351 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,2,0,0,0,0|1,0,1]=4 17352 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,2,0,0,0,0|1,0,1]=4 17353 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,2,0,0,0,0|1,0,1]=4 17354 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,2,0,0,0,0|1,0,1]=4 17355 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,2,0,0,0,0|1,0,1]=4 17356 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,2,0,0,0,0|1,0,1]=4 17357 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,2,0,0,0,0|1,0,1]=4 17358 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,2,0,0,0,0|1,0,1]=4 17359 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,2,0,0,0,0|1,0,1]=4 17360 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,2,0,0,0,0|1,0,1]=4 17361 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,2,0,0,0,0|1,0,1]=4 17362 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,2,0,0,0,0|1,0,1]=4 17363 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,2,0,0,0,0|1,0,1]=4 17364 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,2,0,0,0,0|0,0,0]=2 17365 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [0,2,0,0,0,0|2,0,0]=4 17366 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [0,2,0,0,0,0|2,0,0]=4 17367 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,2,0,0,0,0|1,0,1]=4 17368 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,2,0,0,0,0|1,0,1]=4 17369 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000210245_100012355270 [0,2,0,0,0,0|1,0,1]=4 17370 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000730831_100000748629 [0,2,0,0,0,0|1,0,1]=4 17371 B13R0.54 C=CCCCCCCCOCC(=C)C 7a_100000730831_100000748629 [0,2,0,0,0,0|1,0,1]=4 17372 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,2,0,0,0,0|0,0,1]=3 17373 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,2,0,0,0,0|1,0,1]=4 17374 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,2,0,0,0,0|1,0,1]=4 17375 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,2,0,0,0,0|1,0,1]=4 17376 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100000748629_100012355270 [0,2,0,0,0,0|1,0,1]=4 17377 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100012355270_100000211660 [0,2,0,0,0,0|1,0,1]=4 17378 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,2,0,0,0,0|1,0,1]=4 17379 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,2,0,0,0,0|1,0,1]=4 17380 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,2,0,0,0,0|1,0,1]=4 17381 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,2,0,0,0,0|1,0,1]=4 17382 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_100000764851_100011215473 [0,2,0,0,0,0|1,0,1]=4 17383 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_200011216477_100000730704 [0,2,0,0,0,0|1,0,1]=4 17384 B13R0.54 C=CCCCCCCOCCC(=C)C 7a_200011216477_100000730704 [0,2,0,0,0,0|1,0,1]=4 17385 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,2,0,0,0,0|0,0,1]=3 17386 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,2,0,0,0,0|0,0,1]=3 17387 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,2,0,0,0,0|0,0,1]=3 17388 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,2,0,0,0,0|1,0,1]=4 17389 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,2,0,0,0,0|1,0,1]=4 17390 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,2,0,0,0,0|1,0,1]=4 17391 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,2,0,0,0,0|1,0,1]=4 17392 B13R0.54 C=CCCCCCCOCOC(=O)C 34a_200011216477_100009813279 [0,2,0,0,0,0|0,0,2]=4 17393 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100000730704_100011215473 [0,2,0,0,0,0|1,0,1]=4 17394 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100011215473_100000730704 [0,2,0,0,0,0|1,0,1]=4 17395 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,2,0,0,0,0|0,0,1]=3 17396 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,2,0,0,0,0|0,0,1]=3 17397 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,2,0,0,0,0|1,0,1]=4 17398 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,2,0,0,0,0|1,0,1]=4 17399 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100000076356_100011215473 [0,2,0,0,0,0|0,0,2]=4 17400 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100011215473_100000076356 [0,2,0,0,0,0|0,0,2]=4 17401 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,2,0,0,0,0|1,0,1]=4 17402 B13R0.54 C=CCCCCCNCCCS(=O)C 2230a_200000753449_100000700193 [0,2,0,0,0,0|1,0,1]=4 17403 B13R0.54 C=CCCCCCNCCNC(=O)C 2230a_100000209853_100000700193 [0,2,0,0,0,0|0,0,2]=4 17404 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,2,0,0,0,0|0,0,1]=3 17405 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,2,0,0,0,0|0,0,1]=3 17406 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,2,0,0,0,0|0,0,1]=3 17407 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,2,0,0,0,0|0,0,1]=3 17408 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,2,0,0,0,0|1,0,1]=4 17409 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,2,0,0,0,0|1,0,1]=4 17410 B13R0.54 C=CCCCCCOCCNC(=O)C 34a_100000158858_100000700193 [0,2,0,0,0,0|0,0,2]=4 17411 B13R0.54 C=CCCCCCOCCNC(=O)C 7a_100011216702_100000189650 [0,2,0,0,0,0|0,0,2]=4 17412 B13R0.54 C=CCCCCCOCCOC(=O)C 34a_100011216702_100009814007 [0,2,0,0,0,0|0,0,2]=4 17413 B13R0.54 C=CCCCCCOCCOC(=O)C 7a_100011216702_100009814007 [0,2,0,0,0,0|0,0,2]=4 17414 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,2,0,0,0,0|0,0,1]=3 17415 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,2,0,0,0,0|0,0,1]=3 17416 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,2,0,0,0,0|1,0,1]=4 17417 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,2,0,0,0,0|1,0,1]=4 17418 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000189650_100000700193 [0,2,0,0,0,0|0,0,2]=4 17419 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000700193_100000189650 [0,2,0,0,0,0|0,0,2]=4 17420 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100000700193_100009814007 [0,2,0,0,0,0|0,0,2]=4 17421 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100009814007_100000700193 [0,2,0,0,0,0|0,0,2]=4 17422 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,2,0,0,0,0|0,0,1]=3 17423 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,2,0,0,0,0|1,0,1]=4 17424 B13R0.54 C=CCCCCNCCCNC(=O)C 34a_100000736810_100011215482 [0,2,0,0,0,0|0,0,2]=4 17425 B13R0.54 C=CCCCCNCCCOC(=O)C 34a_100000703577_100000042594 [0,2,0,0,0,0|0,0,2]=4 17426 B13R0.54 C=CCCCCNCCCSC(=O)C 2230a_100000703577_100000038929 [0,2,0,0,0,0|0,0,2]=4 17427 B13R0.54 C=CCCCCNCCCSC(=O)C 34a_100000703577_100000038929 [0,2,0,0,0,0|0,0,2]=4 17428 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,2,0,0,0,0|0,0,1]=3 17429 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,2,0,0,0,0|0,0,1]=3 17430 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,2,0,0,0,0|1,0,1]=4 17431 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,2,0,0,0,0|1,0,1]=4 17432 B13R0.54 C=CCCCCOCCCNC(=O)C 34a_100000752032_100011215482 [0,2,0,0,0,0|0,0,2]=4 17433 B13R0.54 C=CCCCCOCCCOC(=O)C 34a_100000766645_100000042594 [0,2,0,0,0,0|0,0,2]=4 17434 B13R0.54 C=CCCCCOCCCOC(=O)C 7a_100000766645_100000042594 [0,2,0,0,0,0|0,0,2]=4 17435 B13R0.54 C=CCCCCOCCCSC(=O)C 34a_100000766645_100000038929 [0,2,0,0,0,0|0,0,2]=4 17436 B13R0.54 C=CCCCCOCCCSC(=O)C 7a_100000766645_100000038929 [0,2,0,0,0,0|0,0,2]=4 17437 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,2,0,0,0,0|0,0,1]=3 17438 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,2,0,0,0,0|0,0,1]=3 17439 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100000042594_100011215482 [0,2,0,0,0,0|0,0,2]=4 17440 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100011215482_100000042594 [0,2,0,0,0,0|0,0,2]=4 17441 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100000038929_100011215482 [0,2,0,0,0,0|0,0,2]=4 17442 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100011215482_100000038929 [0,2,0,0,0,0|0,0,2]=4 17443 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,2,0,0,0,0|1,0,1]=4 17444 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,2,0,0,0,0|1,0,1]=4 17445 B13R0.54 C=CCCCNCCCCNC(=O)C 2230a_200011368371_100011713584 [0,2,0,0,0,0|0,0,2]=4 17446 B13R0.54 C=CCCCNCCCCNC(=O)C 34a_200011368371_100000757094 [0,2,0,0,0,0|0,0,2]=4 17447 B13R0.54 C=CCCCNCCCCOC(=O)C 34a_100000700776_100000033659 [0,2,0,0,0,0|0,0,2]=4 17448 B13R0.54 C=CCCCNCCCCSC(=O)C 2230a_100000700776_200010402107 [0,2,0,0,0,0|0,0,2]=4 17449 B13R0.54 C=CCCCNCCCCSC(=O)C 34a_100000700776_200010402107 [0,2,0,0,0,0|0,0,2]=4 17450 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,2,0,0,0,0|1,0,1]=4 17451 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,2,0,0,0,0|1,0,1]=4 17452 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,2,0,0,0,0|1,0,1]=4 17453 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,2,0,0,0,0|1,0,1]=4 17454 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,2,0,0,0,0|1,0,1]=4 17455 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000073216_100000757094 [0,2,0,0,0,0|0,0,2]=4 17456 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000758997_100000033659 [0,2,0,0,0,0|0,0,2]=4 17457 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000073216_100000757094 [0,2,0,0,0,0|0,0,2]=4 17458 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000758997_100000033659 [0,2,0,0,0,0|0,0,2]=4 17459 B13R0.54 C=CCCCOCCCCSC(=O)C 34a_100000758997_200010402107 [0,2,0,0,0,0|0,0,2]=4 17460 B13R0.54 C=CCCCOCCCCSC(=O)C 7a_100000758997_200010402107 [0,2,0,0,0,0|0,0,2]=4 17461 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,2,0,0,0,0|1,0,1]=4 17462 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,2,0,0,0,0|1,0,1]=4 17463 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100000033659_100000757094 [0,2,0,0,0,0|0,0,2]=4 17464 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100011713584_100000033659 [0,2,0,0,0,0|0,0,2]=4 17465 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_100011713584_200010402107 [0,2,0,0,0,0|0,0,2]=4 17466 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_200010402107_100000757094 [0,2,0,0,0,0|0,0,2]=4 17467 B13R0.54 C=CCCNCCCCCNC(=O)C 2230a_200012022750_100000754431 [0,2,0,0,0,0|0,0,2]=4 17468 B13R0.54 C=CCCNCCCCCNC(=O)C 34a_200012022750_100000754431 [0,2,0,0,0,0|0,0,2]=4 17469 B13R0.54 C=CCCNCCCCCOC(=O)C 2230a_100015191253_100009813381 [0,2,0,0,0,0|0,0,2]=4 17470 B13R0.54 C=CCCOCCCCCOC(=O)C 34a_100011205117_100000033007 [0,2,0,0,0,0|0,0,2]=4 17471 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000033007_100000754431 [0,2,0,0,0,0|0,0,2]=4 17472 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000754431_100000033007 [0,2,0,0,0,0|0,0,2]=4 17473 B13R0.54 C=CCNCCCCCCNC(=O)C 2230a_200011996284_100000210623 [0,2,0,0,0,0|0,0,2]=4 17474 B13R0.54 C=CCNCCCCCCNC(=O)C 34a_200011996284_100015514636 [0,2,0,0,0,0|0,0,2]=4 17475 B13R0.54 C=CCOCCOCCCCC(=O)C 34a_100000037705_100009817362 [0,2,0,0,0,0|0,0,2]=4 17476 B13R0.54 C=CCOCCOCCCCC(=O)C 7a_100000037705_100000735457 [0,2,0,0,0,0|0,0,2]=4 17477 B13R0.54 C=COCCCCOCCCC(=O)C 34a_100000031558_100000685027 [0,2,0,0,0,0|0,0,2]=4 17478 B13R0.54 C=COCCCCOCCCC(=O)C 7a_100000031558_100011215641 [0,2,0,0,0,0|0,0,2]=4 17479 B13R0.54 C=COCCCNCCCCC(=O)C 34a_100000210767_100009817362 [0,2,0,0,0,0|0,0,2]=4 17480 B13R0.54 CC#CCCOCCCCCC(=O)N 34a_100000750427_100009817443 [0,2,0,0,0,0|1,0,1]=4 17481 B13R0.54 CC#CCCOCCCCOC(=O)C 34a_100000750427_100000033659 [0,2,0,0,0,0|0,0,2]=4 17482 B13R0.54 CC#CCCOCCCCSC(=O)C 34a_100000750427_200010402107 [0,2,0,0,0,0|0,0,2]=4 17483 B13R0.54 CC#CCNCCCCCNC(=O)C 2230a_200012022750_100000748600 [0,2,0,0,0,0|0,0,2]=4 17484 B13R0.54 CC#CCNCCCCCNC(=O)C 34a_200012022750_100000748600 [0,2,0,0,0,0|0,0,2]=4 17485 B13R0.54 CC#CCNCCCCCOC(=O)C 2230a_100000685387_100009813381 [0,2,0,0,0,0|0,0,2]=4 17486 B13R0.54 CC#CCNCCCCCOC(=O)C 34a_100000685387_100000033007 [0,2,0,0,0,0|0,0,2]=4 17487 B13R0.54 CC#CCOCCCCCOC(=O)C 34a_100000761923_100000033007 [0,2,0,0,0,0|0,0,2]=4 17488 B13R0.54 CC#CCSCCCCCOC(=O)C 62a_100000033007_100000748600 [0,2,0,0,0,0|0,0,2]=4 17489 B13R0.54 CC#CCSCCCCCOC(=O)C 62a_100000748600_100000033007 [0,2,0,0,0,0|0,0,2]=4 17490 B13R0.54 CC(=CCCNCCCCCCO)C 2230a_100000686447_100011217483 [0,2,0,0,0,0|1,0,1]=4 17491 B13R0.54 CC(=CCCNCCCCCCO)C 34a_100000686447_100011217483 [0,2,0,0,0,0|1,0,1]=4 17492 B13R0.54 CC(=CCCOCCCCCCBr)C 34a_100011215345_100011217483 [0,2,0,0,0,0|1,0,1]=4 17493 B13R0.54 CC(=CCCOCCCCCCBr)C 7a_100011215345_100011217483 [0,2,0,0,0,0|1,0,1]=4 17494 B13R0.54 CC(=CCCOCCCCCCCl)C 34a_100000766143_100011217483 [0,2,0,0,0,0|1,0,1]=4 17495 B13R0.54 CC(=CCCOCCCCCCCl)C 7a_100000766143_100011217483 [0,2,0,0,0,0|1,0,1]=4 17496 B13R0.54 CC(=CCCOCCCCCCF)C 34a_100000732779_100011217483 [0,2,0,0,0,0|1,0,1]=4 17497 B13R0.54 CC(=CCCOCCCCCCF)C 7a_100000732779_100011217483 [0,2,0,0,0,0|1,0,1]=4 17498 B13R0.54 CC(=CCCOCCCCCCN)C 34a_100000686447_100011217483 [0,2,0,0,0,0|1,0,1]=4 17499 B13R0.54 CC(=CCCSCCCCCCF)C 62a_100011217483_100015922095 [0,2,0,0,0,0|1,0,1]=4 17500 B13R0.54 CC(=CCCSCCCCCCF)C 62a_100015922095_100011217483 [0,2,0,0,0,0|1,0,1]=4 17501 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100000766143_100011217483 [0,2,0,0,0,0|1,0,1]=4 17502 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100011217483_100000766143 [0,2,0,0,0,0|1,0,1]=4 17503 B13R0.54 CC(=CCNCCCCCCCO)C 2230a_100011996573_100000761012 [0,2,0,0,0,0|1,0,1]=4 17504 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100000718196_100000760002 [0,2,0,0,0,0|1,0,1]=4 17505 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100011996573_100000761012 [0,2,0,0,0,0|1,0,1]=4 17506 B13R0.54 CC(=CCOCCCCCCCBr)C 34a_100000760002_100000761012 [0,2,0,0,0,0|1,0,1]=4 17507 B13R0.54 CC(=CCOCCCCCCCBr)C 7a_100000760002_100000761012 [0,2,0,0,0,0|1,0,1]=4 17508 B13R0.54 CC(=CCOCCCCCCCN)C 34a_100011996573_100000761012 [0,2,0,0,0,0|1,0,1]=4 17509 B13R0.54 CC(=CCOCCCCCCCO)C 34a_100000753907_100000760002 [0,2,0,0,0,0|1,0,1]=4 17510 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000760002_100000761012 [0,2,0,0,0,0|1,0,1]=4 17511 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000761012_100000760002 [0,2,0,0,0,0|1,0,1]=4 17512 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,2,0,0,0,0|0,0,0]=2 17513 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,2,0,0,0,0|0,0,0]=2 17514 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,2,0,0,0,0|1,0,0]=3 17515 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,2,0,0,0,0|0,0,0]=2 17516 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,2,0,0,0,0|0,0,0]=2 17517 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,2,0,0,0,0|0,0,0]=2 17518 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,2,0,0,0,0|0,0,0]=2 17519 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,2,0,0,0,0|0,0,0]=2 17520 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,2,0,0,0,0|0,0,0]=2 17521 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,2,0,0,0,0|0,0,0]=2 17522 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,2,0,0,0,0|1,0,0]=3 17523 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,2,0,0,0,0|1,0,0]=3 17524 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,2,0,0,0,0|1,0,0]=3 17525 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,2,0,0,0,0|1,0,0]=3 17526 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,2,0,0,0,0|1,0,0]=3 17527 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,2,0,0,0,0|1,0,0]=3 17528 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,2,0,0,0,0|1,0,0]=3 17529 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,2,0,0,0,0|1,0,0]=3 17530 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,2,0,0,0,0|1,0,0]=3 17531 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,2,0,0,0,0|0,0,1]=3 17532 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,2,0,0,0,0|0,0,1]=3 17533 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,2,0,0,0,0|0,0,1]=3 17534 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,2,0,0,0,0|0,0,1]=3 17535 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,2,0,0,0,0|0,0,0]=2 17536 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,2,0,0,0,0|0,0,0]=2 17537 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,2,0,0,0,0|0,0,0]=2 17538 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,2,0,0,0,0|0,0,0]=2 17539 B13R0.54 CC(=O)CCCCSCCOCC#N 62a_100000735457_200000047693 [0,2,0,0,0,0|1,0,1]=4 17540 B13R0.54 CC(=O)CCCCSCCOCC#N 62a_200000047693_100000735457 [0,2,0,0,0,0|1,0,1]=4 17541 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,2,0,0,0,0|1,0,0]=3 17542 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,2,0,0,0,0|1,0,0]=3 17543 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,2,0,0,0,0|0,0,0]=2 17544 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,2,0,0,0,0|0,0,1]=3 17545 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,2,0,0,0,0|0,0,1]=3 17546 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,2,0,0,0,0|0,0,0]=2 17547 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,2,0,0,0,0|0,0,0]=2 17548 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,2,0,0,0,0|0,0,0]=2 17549 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,2,0,0,0,0|0,0,0]=2 17550 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,2,0,0,0,0|0,0,0]=2 17551 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,2,0,0,0,0|0,0,0]=2 17552 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,2,0,0,0,0|0,0,0]=2 17553 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,2,0,0,0,0|0,0,0]=2 17554 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,2,0,0,0,0|0,0,0]=2 17555 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,2,0,0,0,0|0,0,0]=2 17556 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,2,0,0,0,0|0,0,0]=2 17557 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,2,0,0,0,0|0,0,1]=3 17558 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,2,0,0,0,0|0,0,1]=3 17559 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,2,0,0,0,0|0,0,1]=3 17560 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,2,0,0,0,0|0,0,1]=3 17561 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,2,0,0,0,0|0,0,0]=2 17562 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,2,0,0,0,0|0,0,0]=2 17563 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,2,0,0,0,0|0,0,0]=2 17564 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,2,0,0,0,0|0,0,0]=2 17565 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,2,0,0,0,0|0,0,1]=3 17566 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,2,0,0,0,0|0,0,0]=2 17567 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,2,0,0,0,0|0,0,0]=2 17568 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,2,0,0,0,0|0,0,0]=2 17569 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,2,0,0,0,0|0,0,1]=3 17570 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,2,0,0,0,0|0,0,1]=3 17571 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,2,0,0,0,0|0,0,0]=2 17572 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,2,0,0,0,0|0,0,0]=2 17573 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,2,0,0,0,0|0,0,0]=2 17574 B13R0.54 CC(=O)COCCOCCOCCO 1458a_100010423381_200000210301 [0,2,0,0,0,0|2,0,0]=4 17575 B13R0.54 CC(=O)COCCOCCOCCO 34a_100000211253_100000032323 [0,2,0,0,0,0|2,0,0]=4 17576 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,2,0,0,0,0|0,0,0]=2 17577 B13R0.54 CC(=O)NCCCCCCNCC#N 2230a_200011996284_100011215382 [0,2,0,0,0,0|1,0,1]=4 17578 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [0,2,0,0,0,0|1,0,1]=4 17579 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [0,2,0,0,0,0|1,0,1]=4 17580 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,2,0,0,0,0|1,0,0]=3 17581 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,2,0,0,0,0|1,0,0]=3 17582 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,2,0,0,0,0|1,0,0]=3 17583 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,2,0,0,0,0|1,0,0]=3 17584 B13R0.54 CC(=O)NCCCCCNCCC#N 2230a_200012022750_100011215226 [0,2,0,0,0,0|1,0,1]=4 17585 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,2,0,0,0,0|1,0,0]=3 17586 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,2,0,0,0,0|1,0,0]=3 17587 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,2,0,0,0,0|1,0,0]=3 17588 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,2,0,0,0,0|1,0,0]=3 17589 B13R0.54 CC(=O)NCCCCNCCCC#N 2230a_200011368371_100000687738 [0,2,0,0,0,0|1,0,1]=4 17590 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [0,2,0,0,0,0|1,0,1]=4 17591 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,2,0,0,0,0|1,0,0]=3 17592 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,2,0,0,0,0|1,0,0]=3 17593 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,2,0,0,0,0|1,0,0]=3 17594 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,2,0,0,0,0|1,0,0]=3 17595 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,2,0,0,0,0|1,0,0]=3 17596 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,2,0,0,0,0|1,0,0]=3 17597 B13R0.54 CC(=O)NCCCNCCOCCO 34a_100000736810_100000692535 [0,2,0,0,0,0|2,0,0]=4 17598 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,2,0,0,0,0|1,0,0]=3 17599 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,2,0,0,0,0|1,0,0]=3 17600 B13R0.54 CC(=O)NCCCOCCOCCO 240690a_100011996194_100015343762 [0,2,0,0,0,0|2,0,0]=4 17601 B13R0.54 CC(=O)NCCCOCCOCCO 34a_100000752032_100000692535 [0,2,0,0,0,0|2,0,0]=4 17602 B13R0.54 CC(=O)NCCNCCCCCC#N 2230a_100000209853_100009813376 [0,2,0,0,0,0|1,0,1]=4 17603 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [0,2,0,0,0,0|1,0,1]=4 17604 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,2,0,0,0,0|1,0,0]=3 17605 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,2,0,0,0,0|1,0,0]=3 17606 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,2,0,0,0,0|1,0,0]=3 17607 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,2,0,0,0,0|1,0,0]=3 17608 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,2,0,0,0,0|1,0,0]=3 17609 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,2,0,0,0,0|1,0,0]=3 17610 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,2,0,0,0,0|1,0,0]=3 17611 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,2,0,0,0,0|1,0,0]=3 17612 B13R0.54 CC(=O)NCCSCCCCCC#N 62a_100000189650_100009813376 [0,2,0,0,0,0|1,0,1]=4 17613 B13R0.54 CC(=O)NCCSCCCCCC#N 62a_100009813376_100000189650 [0,2,0,0,0,0|1,0,1]=4 17614 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [0,2,0,0,0,0|1,0,1]=4 17615 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [0,2,0,0,0,0|1,0,1]=4 17616 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,2,0,0,0,0|1,0,0]=3 17617 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,2,0,0,0,0|1,0,0]=3 17618 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,2,0,0,0,0|1,0,0]=3 17619 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,2,0,0,0,0|1,0,0]=3 17620 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,2,0,0,0,0|1,0,0]=3 17621 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,2,0,0,0,0|1,0,0]=3 17622 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,2,0,0,0,0|1,0,0]=3 17623 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,2,0,0,0,0|1,0,0]=3 17624 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,2,0,0,0,0|1,0,0]=3 17625 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,2,0,0,0,0|1,0,0]=3 17626 B13R0.54 CC(=O)OCCCCCOCCON 34a_100000700252_100000033007 [0,2,0,0,0,0|2,0,0]=4 17627 B13R0.54 CC(=O)OCCCCCSCCC#N 62a_100000033007_100011215226 [0,2,0,0,0,0|1,0,1]=4 17628 B13R0.54 CC(=O)OCCCCCSCCC#N 62a_100011215226_100000033007 [0,2,0,0,0,0|1,0,1]=4 17629 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,2,0,0,0,0|1,0,0]=3 17630 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,2,0,0,0,0|1,0,0]=3 17631 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,2,0,0,0,0|1,0,0]=3 17632 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,2,0,0,0,0|1,0,0]=3 17633 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,2,0,0,0,0|1,0,0]=3 17634 B13R0.54 CC(=O)OCCCCOCCCC#N 7a_100000073216_100000687738 [0,2,0,0,0,0|1,0,1]=4 17635 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,2,0,0,0,0|1,0,1]=4 17636 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,2,0,0,0,0|1,0,0]=3 17637 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,2,0,0,0,0|1,0,0]=3 17638 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,2,0,0,0,0|1,0,0]=3 17639 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,2,0,0,0,0|1,0,0]=3 17640 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,2,0,0,0,0|1,0,0]=3 17641 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,2,0,0,0,0|1,0,0]=3 17642 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,2,0,0,0,0|1,0,0]=3 17643 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,2,0,0,0,0|1,0,0]=3 17644 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,2,0,0,0,0|1,0,0]=3 17645 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,2,0,0,0,0|1,0,0]=3 17646 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,2,0,0,0,0|1,0,0]=3 17647 B13R0.54 CC(=O)OCCCCSCCCC#N 62a_100000033659_100000687738 [0,2,0,0,0,0|1,0,1]=4 17648 B13R0.54 CC(=O)OCCCCSCCCC#N 62a_100000687738_100000033659 [0,2,0,0,0,0|1,0,1]=4 17649 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,2,0,0,0,0|1,0,1]=4 17650 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,2,0,0,0,0|1,0,1]=4 17651 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,2,0,0,0,0|1,0,0]=3 17652 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,2,0,0,0,0|1,0,0]=3 17653 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,2,0,0,0,0|1,0,0]=3 17654 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,2,0,0,0,0|1,0,0]=3 17655 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,2,0,0,0,0|1,0,0]=3 17656 B13R0.54 CC(=O)OCCCNCCOCCO 34a_100000211614_100000042594 [0,2,0,0,0,0|2,0,0]=4 17657 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,2,0,0,0,0|1,0,0]=3 17658 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,2,0,0,0,0|1,0,0]=3 17659 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,2,0,0,0,0|1,0,0]=3 17660 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,2,0,0,0,0|1,0,0]=3 17661 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,2,0,0,0,0|1,0,0]=3 17662 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,2,0,0,0,0|1,0,0]=3 17663 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,2,0,0,0,0|1,0,0]=3 17664 B13R0.54 CC(=O)OCCCOCCOCCBr 34a_100000692535_100000042594 [0,2,0,0,0,0|2,0,0]=4 17665 B13R0.54 CC(=O)OCCCOCCOCCBr 7a_100000692535_100000042594 [0,2,0,0,0,0|2,0,0]=4 17666 B13R0.54 CC(=O)OCCCOCCOCCCl 34a_100011215305_100000042594 [0,2,0,0,0,0|2,0,0]=4 17667 B13R0.54 CC(=O)OCCCOCCOCCCl 7a_100011215305_100000042594 [0,2,0,0,0,0|2,0,0]=4 17668 B13R0.54 CC(=O)OCCCOCCOCCF 34a_200015357709_100000042594 [0,2,0,0,0,0|2,0,0]=4 17669 B13R0.54 CC(=O)OCCCOCCOCCF 7a_200015357709_100000042594 [0,2,0,0,0,0|2,0,0]=4 17670 B13R0.54 CC(=O)OCCCOCCOCCI 34a_100012149058_100000042594 [0,2,0,0,0,0|2,0,0]=4 17671 B13R0.54 CC(=O)OCCCOCCOCCI 7a_100012149058_100000042594 [0,2,0,0,0,0|2,0,0]=4 17672 B13R0.54 CC(=O)OCCCOCCOCCN 34a_100000211614_100000042594 [0,2,0,0,0,0|2,0,0]=4 17673 B13R0.54 CC(=O)OCCCSCCCCC#N 62a_100000042594_100000211819 [0,2,0,0,0,0|1,0,1]=4 17674 B13R0.54 CC(=O)OCCCSCCCCC#N 62a_100011219923_100000042594 [0,2,0,0,0,0|1,0,1]=4 17675 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,2,0,0,0,0|1,0,1]=4 17676 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,2,0,0,0,0|1,0,1]=4 17677 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,2,0,0,0,0|1,0,0]=3 17678 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,2,0,0,0,0|1,0,0]=3 17679 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,2,0,0,0,0|1,0,0]=3 17680 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,2,0,0,0,0|1,0,0]=3 17681 B13R0.54 CC(=O)OCCCSCCOCCO 62a_100000042594_100011215305 [0,2,0,0,0,0|2,0,0]=4 17682 B13R0.54 CC(=O)OCCCSCCOCCO 62a_100011215305_100000042594 [0,2,0,0,0,0|2,0,0]=4 17683 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,2,0,0,0,0|1,0,0]=3 17684 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,2,0,0,0,0|1,0,0]=3 17685 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,2,0,0,0,0|1,0,0]=3 17686 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,2,0,0,0,0|1,0,0]=3 17687 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,2,0,0,0,0|1,0,0]=3 17688 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,2,0,0,0,0|1,0,0]=3 17689 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,2,0,0,0,0|1,0,0]=3 17690 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,2,0,0,0,0|1,0,0]=3 17691 B13R0.54 CC(=O)OCCOCCNCCCF 2230a_100015189416_200000083610 [0,2,0,0,0,0|2,0,0]=4 17692 B13R0.54 CC(=O)OCCOCCNCCCF 34a_100015189416_200000083610 [0,2,0,0,0,0|2,0,0]=4 17693 B13R0.54 CC(=O)OCCOCCOCCCBr 34a_100011217188_200000083610 [0,2,0,0,0,0|2,0,0]=4 17694 B13R0.54 CC(=O)OCCOCCOCCCCl 34a_100000230001_200000083610 [0,2,0,0,0,0|2,0,0]=4 17695 B13R0.54 CC(=O)OCCOCCOCCCF 34a_100000759539_200000083610 [0,2,0,0,0,0|2,0,0]=4 17696 B13R0.54 CC(=O)OCCOCCOCCCN 34a_100000182051_200000083610 [0,2,0,0,0,0|2,0,0]=4 17697 B13R0.54 CC(=O)OCCOCCSCCCF 62a_100011934791_200000083610 [0,2,0,0,0,0|2,0,0]=4 17698 B13R0.54 CC(=O)OCCOCCSCCCF 62a_200000083610_100011934791 [0,2,0,0,0,0|2,0,0]=4 17699 B13R0.54 CC(=O)OCCOCCSCCCO 62a_100011215043_200000083610 [0,2,0,0,0,0|2,0,0]=4 17700 B13R0.54 CC(=O)OCCOCCSCCCO 62a_200000083610_100011215043 [0,2,0,0,0,0|2,0,0]=4 17701 B13R0.54 CC(=O)OCCOCNCCCCO 34a_100000750430_100000076355 [0,2,0,0,0,0|2,0,0]=4 17702 B13R0.54 CC(=O)OCCOCOCCCCBr 34a_100011216708_100000076355 [0,2,0,0,0,0|2,0,0]=4 17703 B13R0.54 CC(=O)OCCOCOCCCCCl 34a_100000210776_100000076355 [0,2,0,0,0,0|2,0,0]=4 17704 B13R0.54 CC(=O)OCCOCOCCCCF 34a_100011995726_100000076355 [0,2,0,0,0,0|2,0,0]=4 17705 B13R0.54 CC(=O)OCCOCOCCCCI 34a_200012148704_100000076355 [0,2,0,0,0,0|2,0,0]=4 17706 B13R0.54 CC(=O)OCCOCOCCCCN 34a_100000750430_100000076355 [0,2,0,0,0,0|2,0,0]=4 17707 B13R0.54 CC(=O)OCCOCSCCCCF 62a_100000076355_100000729493 [0,2,0,0,0,0|2,0,0]=4 17708 B13R0.54 CC(=O)OCCOCSCCCCF 62a_100000729493_100000076355 [0,2,0,0,0,0|2,0,0]=4 17709 B13R0.54 CC(=O)OCCOCSCCCCO 62a_100000076355_100000210776 [0,2,0,0,0,0|2,0,0]=4 17710 B13R0.54 CC(=O)OCCOCSCCCCO 62a_100000210776_100000076355 [0,2,0,0,0,0|2,0,0]=4 17711 B13R0.54 CC(=O)OCCSCCCCCC#N 62a_100009813376_100009814007 [0,2,0,0,0,0|1,0,1]=4 17712 B13R0.54 CC(=O)OCCSCCCCCC#N 62a_100009814007_100009813376 [0,2,0,0,0,0|1,0,1]=4 17713 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,2,0,0,0,0|1,0,1]=4 17714 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,2,0,0,0,0|1,0,1]=4 17715 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,2,0,0,0,0|1,0,0]=3 17716 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,2,0,0,0,0|1,0,0]=3 17717 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,2,0,0,0,0|1,0,0]=3 17718 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,2,0,0,0,0|1,0,0]=3 17719 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,2,0,0,0,0|1,0,0]=3 17720 B13R0.54 CC(=O)OCNCCCOCCCO 34a_100011310245_100009813279 [0,2,0,0,0,0|2,0,0]=4 17721 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,2,0,0,0,0|1,0,0]=3 17722 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,2,0,0,0,0|1,0,0]=3 17723 B13R0.54 CC(=O)OCOCCCOCCCN 34a_100011310245_100009813279 [0,2,0,0,0,0|2,0,0]=4 17724 B13R0.54 CC(=O)OCSCCCCCCC#N 62a_100000076356_100009813337 [0,2,0,0,0,0|1,0,1]=4 17725 B13R0.54 CC(=O)OCSCCCCCCC#N 62a_100009813337_100000076356 [0,2,0,0,0,0|1,0,1]=4 17726 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,2,0,0,0,0|1,0,0]=3 17727 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,2,0,0,0,0|1,0,0]=3 17728 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,2,0,0,0,0|1,0,0]=3 17729 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,2,0,0,0,0|1,0,0]=3 17730 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,2,0,0,0,0|1,0,0]=3 17731 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,2,0,0,0,0|1,0,0]=3 17732 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,2,0,0,0,0|1,0,0]=3 17733 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,2,0,0,0,0|1,0,0]=3 17734 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,2,0,0,0,0|1,0,0]=3 17735 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,2,0,0,0,0|1,0,0]=3 17736 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,2,0,0,0,0|1,0,0]=3 17737 B13R0.54 CC(=O)SCCCCSCCCC#N 62a_100000687738_200010402107 [0,2,0,0,0,0|1,0,1]=4 17738 B13R0.54 CC(=O)SCCCCSCCCC#N 62a_200010402107_100000687738 [0,2,0,0,0,0|1,0,1]=4 17739 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [0,2,0,0,0,0|1,0,1]=4 17740 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [0,2,0,0,0,0|1,0,1]=4 17741 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,2,0,0,0,0|1,0,0]=3 17742 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,2,0,0,0,0|1,0,0]=3 17743 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,2,0,0,0,0|1,0,0]=3 17744 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,2,0,0,0,0|1,0,0]=3 17745 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,2,0,0,0,0|1,0,0]=3 17746 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,2,0,0,0,0|1,0,0]=3 17747 B13R0.54 CC(=O)SCCCNCCOCCO 2230a_100000211614_100000038929 [0,2,0,0,0,0|2,0,0]=4 17748 B13R0.54 CC(=O)SCCCNCCOCCO 34a_100000211614_100000038929 [0,2,0,0,0,0|2,0,0]=4 17749 B13R0.54 CC(=O)SCCCNCCSCCO 2230a_100011219999_100000038929 [0,2,0,0,0,0|2,0,0]=4 17750 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,2,0,0,0,0|1,0,0]=3 17751 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,2,0,0,0,0|1,0,0]=3 17752 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,2,0,0,0,0|1,0,0]=3 17753 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,2,0,0,0,0|1,0,0]=3 17754 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,2,0,0,0,0|1,0,0]=3 17755 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,2,0,0,0,0|1,0,0]=3 17756 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,2,0,0,0,0|1,0,0]=3 17757 B13R0.54 CC(=O)SCCCOCCOCCBr 34a_100000692535_100000038929 [0,2,0,0,0,0|2,0,0]=4 17758 B13R0.54 CC(=O)SCCCOCCOCCBr 7a_100000692535_100000038929 [0,2,0,0,0,0|2,0,0]=4 17759 B13R0.54 CC(=O)SCCCOCCOCCCl 34a_100011215305_100000038929 [0,2,0,0,0,0|2,0,0]=4 17760 B13R0.54 CC(=O)SCCCOCCOCCCl 7a_100011215305_100000038929 [0,2,0,0,0,0|2,0,0]=4 17761 B13R0.54 CC(=O)SCCCOCCOCCF 34a_200015357709_100000038929 [0,2,0,0,0,0|2,0,0]=4 17762 B13R0.54 CC(=O)SCCCOCCOCCF 7a_200015357709_100000038929 [0,2,0,0,0,0|2,0,0]=4 17763 B13R0.54 CC(=O)SCCCOCCOCCI 34a_100012149058_100000038929 [0,2,0,0,0,0|2,0,0]=4 17764 B13R0.54 CC(=O)SCCCOCCOCCI 7a_100012149058_100000038929 [0,2,0,0,0,0|2,0,0]=4 17765 B13R0.54 CC(=O)SCCCOCCOCCN 34a_100000211614_100000038929 [0,2,0,0,0,0|2,0,0]=4 17766 B13R0.54 CC(=O)SCCCSCCCCC#N 62a_100000038929_100000211819 [0,2,0,0,0,0|1,0,1]=4 17767 B13R0.54 CC(=O)SCCCSCCCCC#N 62a_100011219923_100000038929 [0,2,0,0,0,0|1,0,1]=4 17768 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [0,2,0,0,0,0|1,0,1]=4 17769 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [0,2,0,0,0,0|1,0,1]=4 17770 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,2,0,0,0,0|1,0,0]=3 17771 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,2,0,0,0,0|1,0,0]=3 17772 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,2,0,0,0,0|1,0,0]=3 17773 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,2,0,0,0,0|1,0,0]=3 17774 B13R0.54 CC(=O)SCCCSCCOCCO 62a_100000038929_100011215305 [0,2,0,0,0,0|2,0,0]=4 17775 B13R0.54 CC(=O)SCCCSCCOCCO 62a_100011215305_100000038929 [0,2,0,0,0,0|2,0,0]=4 17776 B13R0.54 CC(=S)OCCCNCCCCCO 2230a_100000762737_200135323944 [0,2,0,0,0,0|1,1,0]=4 17777 B13R0.54 CC(=S)OCCCNCCCCCO 34a_100000762737_200135323944 [0,2,0,0,0,0|1,1,0]=4 17778 B13R0.54 CC(=S)OCCCOCCCCCBr 34a_100000746331_200135323944 [0,2,0,0,0,0|1,1,0]=4 17779 B13R0.54 CC(=S)OCCCOCCCCCBr 7a_100000746331_200135323944 [0,2,0,0,0,0|1,1,0]=4 17780 B13R0.54 CC(=S)OCCCOCCCCCCl 34a_100000746330_200135323944 [0,2,0,0,0,0|1,1,0]=4 17781 B13R0.54 CC(=S)OCCCOCCCCCCl 7a_100000746330_200135323944 [0,2,0,0,0,0|1,1,0]=4 17782 B13R0.54 CC(=S)OCCCOCCCCCI 34a_200012148887_200135323944 [0,2,0,0,0,0|1,1,0]=4 17783 B13R0.54 CC(=S)OCCCOCCCCCI 7a_200012148887_200135323944 [0,2,0,0,0,0|1,1,0]=4 17784 B13R0.54 CC(=S)OCCCOCCCCCN 34a_100000762737_200135323944 [0,2,0,0,0,0|1,1,0]=4 17785 B13R0.54 CC(=S)OCCCSCCCCCF 62a_100000729378_200135323944 [0,2,0,0,0,0|1,1,0]=4 17786 B13R0.54 CC(=S)OCCCSCCCCCF 62a_200135323944_100000729378 [0,2,0,0,0,0|1,1,0]=4 17787 B13R0.54 CC(=S)OCCCSCCCCCO 62a_100000746330_200135323944 [0,2,0,0,0,0|1,1,0]=4 17788 B13R0.54 CC(=S)OCCCSCCCCCO 62a_200135323944_100000746330 [0,2,0,0,0,0|1,1,0]=4 17789 B13R0.54 CC(Br)CCOCCCCCCCO 34a_100009893172_100000760002 [0,2,0,0,0,0|1,0,1]=4 17790 B13R0.54 CC(Br)COCCCCCCCCO 34a_100012180447_100000033203 [0,2,0,0,0,0|1,0,1]=4 17791 B13R0.54 CC(C)CCCCCCCOCCF 34a_200000210741_100011217306 [0,2,0,0,0,0|1,0,1]=4 17792 B13R0.54 CC(C)CCCCCCCOCCF 7a_200000210741_100011217306 [0,2,0,0,0,0|1,0,1]=4 17793 B13R0.54 CC(C)CCCCCCCOCCO 34a_200000210741_100000211926 [0,2,0,0,0,0|1,0,1]=4 17794 B13R0.54 CC(C)CCCCCCCOCCO 7a_200000210741_100000211926 [0,2,0,0,0,0|1,0,1]=4 17795 B13R0.54 CC(C)CCCCCCNCCCF 2230a_100000211014_100011934791 [0,2,0,0,0,0|1,0,1]=4 17796 B13R0.54 CC(C)CCCCCCNCCCF 34a_100000211014_100011934791 [0,2,0,0,0,0|1,0,1]=4 17797 B13R0.54 CC(C)CCCCCCNCCCO 2230a_100000211014_100000230001 [0,2,0,0,0,0|1,0,1]=4 17798 B13R0.54 CC(C)CCCCCCNCCCO 34a_100000211014_100000230001 [0,2,0,0,0,0|1,0,1]=4 17799 B13R0.54 CC(C)CCCCCNCCCCF 2230a_100011290863_100000729493 [0,2,0,0,0,0|1,0,1]=4 17800 B13R0.54 CC(C)CCCCCNCCCCF 34a_100011290863_100000729493 [0,2,0,0,0,0|1,0,1]=4 17801 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100000750430_100000210682 [0,2,0,0,0,0|1,0,1]=4 17802 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100011290863_100000210776 [0,2,0,0,0,0|1,0,1]=4 17803 B13R0.54 CC(C)CCCCCNCCCCO 34a_100000750430_100000210682 [0,2,0,0,0,0|1,0,1]=4 17804 B13R0.54 CC(C)CCCCCNCCCCO 34a_100011290863_100011216708 [0,2,0,0,0,0|1,0,1]=4 17805 B13R0.54 CC(C)CCCCCOCCCCBr 34a_100011216708_100000210682 [0,2,0,0,0,0|1,0,1]=4 17806 B13R0.54 CC(C)CCCCCOCCCCCl 34a_100000210776_100000210682 [0,2,0,0,0,0|1,0,1]=4 17807 B13R0.54 CC(C)CCCCCOCCCCCl 7a_100000210776_100000210682 [0,2,0,0,0,0|1,0,1]=4 17808 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995726_100000210682 [0,2,0,0,0,0|1,0,1]=4 17809 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995859_100000729493 [0,2,0,0,0,0|1,0,1]=4 17810 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995726_100000210682 [0,2,0,0,0,0|1,0,1]=4 17811 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995859_100000729493 [0,2,0,0,0,0|1,0,1]=4 17812 B13R0.54 CC(C)CCCCCOCCCCI 34a_200012148704_100000210682 [0,2,0,0,0,0|1,0,1]=4 17813 B13R0.54 CC(C)CCCCCOCCCCN 34a_100000750430_100000210682 [0,2,0,0,0,0|1,0,1]=4 17814 B13R0.54 CC(C)CCCCCOCCCCO 34a_100011995859_100011216708 [0,2,0,0,0,0|1,0,1]=4 17815 B13R0.54 CC(C)CCCCCOCCCCO 7a_100011995859_100000210776 [0,2,0,0,0,0|1,0,1]=4 17816 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000210682_100000729493 [0,2,0,0,0,0|1,0,1]=4 17817 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000729493_100000210682 [0,2,0,0,0,0|1,0,1]=4 17818 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210682_100000210776 [0,2,0,0,0,0|1,0,1]=4 17819 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210776_100000210682 [0,2,0,0,0,0|1,0,1]=4 17820 B13R0.54 CC(C)CCCCNCCCCCO 2230a_100000762737_100011216152 [0,2,0,0,0,0|1,0,1]=4 17821 B13R0.54 CC(C)CCCCNCCCCCO 34a_100000762737_100011216152 [0,2,0,0,0,0|1,0,1]=4 17822 B13R0.54 CC(C)CCCCOCCCCCBr 34a_100000746331_100011216152 [0,2,0,0,0,0|1,0,1]=4 17823 B13R0.54 CC(C)CCCCOCCCCCBr 7a_100000746331_100011216152 [0,2,0,0,0,0|1,0,1]=4 17824 B13R0.54 CC(C)CCCCOCCCCCCl 34a_100000746330_100011216152 [0,2,0,0,0,0|1,0,1]=4 17825 B13R0.54 CC(C)CCCCOCCCCCCl 7a_100000746330_100011216152 [0,2,0,0,0,0|1,0,1]=4 17826 B13R0.54 CC(C)CCCCOCCCCCF 34a_100011214890_100000729378 [0,2,0,0,0,0|1,0,1]=4 17827 B13R0.54 CC(C)CCCCOCCCCCF 7a_100011214890_100000729378 [0,2,0,0,0,0|1,0,1]=4 17828 B13R0.54 CC(C)CCCCOCCCCCI 34a_200012148887_100011216152 [0,2,0,0,0,0|1,0,1]=4 17829 B13R0.54 CC(C)CCCCOCCCCCI 7a_200012148887_100011216152 [0,2,0,0,0,0|1,0,1]=4 17830 B13R0.54 CC(C)CCCCOCCCCCN 34a_100000762737_100011216152 [0,2,0,0,0,0|1,0,1]=4 17831 B13R0.54 CC(C)CCCCOCCCCCO 34a_100011214890_100000746330 [0,2,0,0,0,0|1,0,1]=4 17832 B13R0.54 CC(C)CCCCOCCCCCO 7a_100011214890_100000746330 [0,2,0,0,0,0|1,0,1]=4 17833 B13R0.54 CC(C)CCCCSCCCCCF 62a_100000729378_100011216152 [0,2,0,0,0,0|1,0,1]=4 17834 B13R0.54 CC(C)CCCCSCCCCCF 62a_100011216152_100000729378 [0,2,0,0,0,0|1,0,1]=4 17835 B13R0.54 CC(C)CCCCSCCCCCO 62a_100000746330_100011216152 [0,2,0,0,0,0|1,0,1]=4 17836 B13R0.54 CC(C)CCCCSCCCCCO 62a_100011216152_100000746330 [0,2,0,0,0,0|1,0,1]=4 17837 B13R0.54 CC(C)CCCNCCCCCCF 2230a_200000737386_100015922095 [0,2,0,0,0,0|1,0,1]=4 17838 B13R0.54 CC(C)CCCNCCCCCCF 34a_200000737386_100015922095 [0,2,0,0,0,0|1,0,1]=4 17839 B13R0.54 CC(C)CCCNCCCCCCO 2230a_100000686447_100011214892 [0,2,0,0,0,0|1,0,1]=4 17840 B13R0.54 CC(C)CCCNCCCCCCO 2230a_200000737386_100000766143 [0,2,0,0,0,0|1,0,1]=4 17841 B13R0.54 CC(C)CCCNCCCCCCO 34a_100000686447_100011214892 [0,2,0,0,0,0|1,0,1]=4 17842 B13R0.54 CC(C)CCCNCCCCCCO 34a_200000737386_100000766143 [0,2,0,0,0,0|1,0,1]=4 17843 B13R0.54 CC(C)CCCOCCCCCCBr 34a_100011215345_100011214892 [0,2,0,0,0,0|1,0,1]=4 17844 B13R0.54 CC(C)CCCOCCCCCCBr 7a_100011215345_100011214892 [0,2,0,0,0,0|1,0,1]=4 17845 B13R0.54 CC(C)CCCOCCCCCCCl 34a_100000766143_100011214892 [0,2,0,0,0,0|1,0,1]=4 17846 B13R0.54 CC(C)CCCOCCCCCCCl 7a_100000766143_100011214892 [0,2,0,0,0,0|1,0,1]=4 17847 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000210774_100015922095 [0,2,0,0,0,0|1,0,1]=4 17848 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000732779_100011214892 [0,2,0,0,0,0|1,0,1]=4 17849 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000210774_100015922095 [0,2,0,0,0,0|1,0,1]=4 17850 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000732779_100011214892 [0,2,0,0,0,0|1,0,1]=4 17851 B13R0.54 CC(C)CCCOCCCCCCN 34a_100000686447_100011214892 [0,2,0,0,0,0|1,0,1]=4 17852 B13R0.54 CC(C)CCCOCCCCCCO 34a_100000210774_100000766143 [0,2,0,0,0,0|1,0,1]=4 17853 B13R0.54 CC(C)CCCOCCCCCCO 7a_100000210774_100000766143 [0,2,0,0,0,0|1,0,1]=4 17854 B13R0.54 CC(C)CCCSCCCCCCF 62a_100011214892_100015922095 [0,2,0,0,0,0|1,0,1]=4 17855 B13R0.54 CC(C)CCCSCCCCCCF 62a_100015922095_100011214892 [0,2,0,0,0,0|1,0,1]=4 17856 B13R0.54 CC(C)CCCSCCCCCCO 62a_100000766143_100011214892 [0,2,0,0,0,0|1,0,1]=4 17857 B13R0.54 CC(C)CCCSCCCCCCO 62a_100011214892_100000766143 [0,2,0,0,0,0|1,0,1]=4 17858 B13R0.54 CC(C)CCNCCCCCCCO 2230a_100011996573_100000210312 [0,2,0,0,0,0|1,0,1]=4 17859 B13R0.54 CC(C)CCNCCCCCCCO 269862a_100011996573_100000185833 [0,2,0,0,0,0|1,0,1]=4 17860 B13R0.54 CC(C)CCNCCCCCCCO 34a_100011996573_100000210312 [0,2,0,0,0,0|1,0,1]=4 17861 B13R0.54 CC(C)CCOCCCCCCCBr 34a_100000760002_100000210312 [0,2,0,0,0,0|1,0,1]=4 17862 B13R0.54 CC(C)CCOCCCCCCCBr 7a_100000760002_100000210626 [0,2,0,0,0,0|1,0,1]=4 17863 B13R0.54 CC(C)CCOCCCCCCCN 34a_100011996573_100000210312 [0,2,0,0,0,0|1,0,1]=4 17864 B13R0.54 CC(C)CCOCCCCCCCO 34a_100000210254_100000760002 [0,2,0,0,0,0|1,0,1]=4 17865 B13R0.54 CC(C)CCOCCCCCCCO 7a_100000210254_100000760002 [0,2,0,0,0,0|1,0,1]=4 17866 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000210312_100000760002 [0,2,0,0,0,0|1,0,1]=4 17867 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000760002_100000210312 [0,2,0,0,0,0|1,0,1]=4 17868 B13R0.54 CC(C)CNCCCCCCCCO 2230a_100000210953_100000033203 [0,2,0,0,0,0|1,0,1]=4 17869 B13R0.54 CC(C)CNCCCCCCCCO 2230a_102515433106_100000210760 [0,2,0,0,0,0|1,0,1]=4 17870 B13R0.54 CC(C)CNCCCCCCCCO 270004a_102515433106_100000210432 [0,2,0,0,0,0|1,0,1]=4 17871 B13R0.54 CC(C)CNCCCCCCCCO 34a_100000210953_100000033203 [0,2,0,0,0,0|1,0,1]=4 17872 B13R0.54 CC(C)CNCCCCCCCCO 34a_102515433106_100000210624 [0,2,0,0,0,0|1,0,1]=4 17873 B13R0.54 CC(C)COCCCCCCCCBr 34a_100009813846_100000210624 [0,2,0,0,0,0|1,0,1]=4 17874 B13R0.54 CC(C)COCCCCCCCCBr 7a_100009813846_100000210760 [0,2,0,0,0,0|1,0,1]=4 17875 B13R0.54 CC(C)COCCCCCCCCCl 34a_100000033203_100000210624 [0,2,0,0,0,0|1,0,1]=4 17876 B13R0.54 CC(C)COCCCCCCCCCl 7a_100000033203_100000210760 [0,2,0,0,0,0|1,0,1]=4 17877 B13R0.54 CC(C)COCCCCCCCCN 34a_102515433106_100000210624 [0,2,0,0,0,0|1,0,1]=4 17878 B13R0.54 CC(C)COCCCCCCCCO 34a_100000210257_100000033203 [0,2,0,0,0,0|1,0,1]=4 17879 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000033203_100000210760 [0,2,0,0,0,0|1,0,1]=4 17880 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000210624_100000033203 [0,2,0,0,0,0|1,0,1]=4 17881 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100000078944_100000210206 [0,2,0,0,0,0|1,0,1]=4 17882 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100138425928_100009813782 [0,2,0,0,0,0|1,0,1]=4 17883 B13R0.54 CC(C)NCCCCCCCCCO 34a_100000078944_100000210206 [0,2,0,0,0,0|1,0,1]=4 17884 B13R0.54 CC(C)NCCCCCCCCCO 34a_100138425928_100009813782 [0,2,0,0,0,0|1,0,1]=4 17885 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [0,2,0,0,0,0|1,0,1]=4 17886 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [0,2,0,0,0,0|1,0,1]=4 17887 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [0,2,0,0,0,0|1,0,1]=4 17888 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [0,2,0,0,0,0|1,0,1]=4 17889 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [0,2,0,0,0,0|1,0,1]=4 17890 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,2,0,0,0,0|1,0,1]=4 17891 B13R0.54 CC(C)SCCCCCCCCCO 62a_100000210206_100009813782 [0,2,0,0,0,0|1,0,1]=4 17892 B13R0.54 CC(C)SCCCCCCCCCO 62a_100009813782_100000210206 [0,2,0,0,0,0|1,0,1]=4 17893 B13R0.54 CC(F)COCCCCCCCCO 34a_100015925927_100000033203 [0,2,0,0,0,0|1,0,1]=4 17894 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 17895 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 17896 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [0,2,0,0,0,0|0,0,2]=4 17897 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [0,2,0,0,0,0|0,0,2]=4 17898 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [0,2,0,0,0,0|0,0,2]=4 17899 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [0,2,0,0,0,0|0,0,2]=4 17900 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [0,2,0,0,0,0|0,0,2]=4 17901 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [0,2,0,0,0,0|0,0,2]=4 17902 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 17903 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [0,2,0,0,0,0|0,0,2]=4 17904 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [0,2,0,0,0,0|0,0,2]=4 17905 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,2,0,0,0,0|0,0,2]=4 17906 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,2,0,0,0,0|0,0,2]=4 17907 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 17908 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,2,0,0,0,0|0,0,2]=4 17909 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 17910 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [0,2,0,0,0,0|0,0,2]=4 17911 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [0,2,0,0,0,0|0,0,2]=4 17912 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 17913 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,2,0,0,0,0|0,0,2]=4 17914 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,2,0,0,0,0|0,0,2]=4 17915 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,2,0,0,0,0|0,0,2]=4 17916 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 17917 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|0,0,2]=4 17918 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 17919 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,2,0,0,0,0|0,0,2]=4 17920 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,2,0,0,0,0|0,0,2]=4 17921 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,2,0,0,0,0|0,0,2]=4 17922 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,2,0,0,0,0|0,0,2]=4 17923 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 17924 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,2,0,0,0,0|0,0,2]=4 17925 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,2,0,0,0,0|0,0,2]=4 17926 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,2,0,0,0,0|0,0,1]=3 17927 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,2,0,0,0,0|0,0,1]=3 17928 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,2,0,0,0,0|1,0,1]=4 17929 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,2,0,0,0,0|1,0,1]=4 17930 B13R0.54 CC/C=C/CCCOCCNC(=O)C 7a_100016287902_100000189650 [0,2,0,0,0,0|0,0,2]=4 17931 B13R0.54 CC/C=C/CCCOCCOC(=O)C 34a_100016287902_100009814007 [0,2,0,0,0,0|0,0,2]=4 17932 B13R0.54 CC/C=C/CCCOCCOC(=O)C 7a_100016287902_100009814007 [0,2,0,0,0,0|0,0,2]=4 17933 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,2,0,0,0,0|1,0,1]=4 17934 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,2,0,0,0,0|1,0,1]=4 17935 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,2,0,0,0,0|1,0,1]=4 17936 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,2,0,0,0,0|0,0,1]=3 17937 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,2,0,0,0,0|1,0,1]=4 17938 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,2,0,0,0,0|1,0,1]=4 17939 B13R0.54 CC/C=C\CCCCOCOC(=O)C 34a_100016287862_100009813279 [0,2,0,0,0,0|0,0,2]=4 17940 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,2,0,0,0,0|1,0,1]=4 17941 B13R0.54 CC/C=C\CCNCCCNC(=O)C 34a_100000736810_100015370543 [0,2,0,0,0,0|0,0,2]=4 17942 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,2,0,0,0,0|0,0,1]=3 17943 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,2,0,0,0,0|0,0,1]=3 17944 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,2,0,0,0,0|1,0,1]=4 17945 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,2,0,0,0,0|1,0,1]=4 17946 B13R0.54 CC/C=C\CCOCCCNC(=O)C 34a_100000752032_100015370543 [0,2,0,0,0,0|0,0,2]=4 17947 B13R0.54 CC/C=C\CCOCCCOC(=O)C 34a_100016288707_100000042594 [0,2,0,0,0,0|0,0,2]=4 17948 B13R0.54 CC/C=C\CCOCCCOC(=O)C 7a_100016288707_100000042594 [0,2,0,0,0,0|0,0,2]=4 17949 B13R0.54 CC/C=C\CCOCCCSC(=O)C 34a_100016288707_100000038929 [0,2,0,0,0,0|0,0,2]=4 17950 B13R0.54 CC/C=C\CCOCCCSC(=O)C 7a_100016288707_100000038929 [0,2,0,0,0,0|0,0,2]=4 17951 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,2,0,0,0,0|0,0,1]=3 17952 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,2,0,0,0,0|0,0,1]=3 17953 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100000042594_100015370543 [0,2,0,0,0,0|0,0,2]=4 17954 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100015370543_100000042594 [0,2,0,0,0,0|0,0,2]=4 17955 B13R0.54 CC/C=C\CCSCCCSC(=O)C 62a_100000038929_100015370543 [0,2,0,0,0,0|0,0,2]=4 17956 B13R0.54 CC/C=C\CCSCCCSC(=O)C 62a_100015370543_100000038929 [0,2,0,0,0,0|0,0,2]=4 17957 B13R0.54 CC/C=C\CNCCCCNC(=O)C 2230a_200011368371_100103147603 [0,2,0,0,0,0|0,0,2]=4 17958 B13R0.54 CC/C=C\CNCCCCNC(=O)C 34a_200011368371_100103147603 [0,2,0,0,0,0|0,0,2]=4 17959 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,2,0,0,0,0|1,0,1]=4 17960 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,2,0,0,0,0|1,0,1]=4 17961 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,2,0,0,0,0|1,0,1]=4 17962 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,2,0,0,0,0|1,0,1]=4 17963 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100000073216_100103147603 [0,2,0,0,0,0|0,0,2]=4 17964 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100016268518_100000033659 [0,2,0,0,0,0|0,0,2]=4 17965 B13R0.54 CC/C=C\COCCCCOC(=O)C 7a_100000073216_100103147603 [0,2,0,0,0,0|0,0,2]=4 17966 B13R0.54 CC/C=C\COCCCCSC(=O)C 34a_100016268518_200010402107 [0,2,0,0,0,0|0,0,2]=4 17967 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,2,0,0,0,0|1,0,1]=4 17968 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,2,0,0,0,0|1,0,1]=4 17969 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100000033659_100103147603 [0,2,0,0,0,0|0,0,2]=4 17970 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100103147603_100000033659 [0,2,0,0,0,0|0,0,2]=4 17971 B13R0.54 CC/C=C\CSCCCCSC(=O)C 62a_100103147603_200010402107 [0,2,0,0,0,0|0,0,2]=4 17972 B13R0.54 CC/C=C\CSCCCCSC(=O)C 62a_200010402107_100103147603 [0,2,0,0,0,0|0,0,2]=4 17973 B13R0.54 CC=C=CCCOCCCCC(=O)C 34a_100011020354_100009817362 [0,2,0,0,0,0|0,0,2]=4 17974 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,2,0,0,0,0|0,0,1]=3 17975 B13R0.54 CC=CCCCOCCCOC(=O)C 34a_100020645299_100000042594 [0,2,0,0,0,0|0,0,2]=4 17976 B13R0.54 CC=CCCCOCCCSC(=O)C 34a_100020645299_100000038929 [0,2,0,0,0,0|0,0,2]=4 17977 B13R0.54 CC=CCNCCCCCNC(=O)C 2230a_200012022750_100000070051 [0,2,0,0,0,0|0,0,2]=4 17978 B13R0.54 CC=CCNCCCCCNC(=O)C 34a_200012022750_100000070051 [0,2,0,0,0,0|0,0,2]=4 17979 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000033007_100000070051 [0,2,0,0,0,0|0,0,2]=4 17980 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000070051_100000033007 [0,2,0,0,0,0|0,0,2]=4 17981 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,2,0,0,0,0|0,0,1]=3 17982 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,2,0,0,0,0|0,0,1]=3 17983 B13R0.54 CCC#CCCOCCCOC(=O)C 34a_100000036655_100000042594 [0,2,0,0,0,0|0,0,2]=4 17984 B13R0.54 CCC#CCCOCCCOC(=O)C 7a_100000036655_100000042594 [0,2,0,0,0,0|0,0,2]=4 17985 B13R0.54 CCC#CCCOCCCSC(=O)C 34a_100000036655_100000038929 [0,2,0,0,0,0|0,0,2]=4 17986 B13R0.54 CCC#CCCOCCCSC(=O)C 7a_100000036655_100000038929 [0,2,0,0,0,0|0,0,2]=4 17987 B13R0.54 CCC#CCNCCCCNC(=O)C 2230a_200011368371_100009813939 [0,2,0,0,0,0|0,0,2]=4 17988 B13R0.54 CCC#CCNCCCCNC(=O)C 34a_200011368371_100009813939 [0,2,0,0,0,0|0,0,2]=4 17989 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000032950_100009817443 [0,2,0,0,0,0|1,0,1]=4 17990 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000123541_100009813939 [0,2,0,0,0,0|1,0,1]=4 17991 B13R0.54 CCC#CCOCCCCCC(=O)N 7a_100000123541_100009813939 [0,2,0,0,0,0|1,0,1]=4 17992 B13R0.54 CCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009813939 [0,2,0,0,0,0|1,0,1]=4 17993 B13R0.54 CCC#CCOCCCCOC(=O)C 34a_100000032950_100000033659 [0,2,0,0,0,0|0,0,2]=4 17994 B13R0.54 CCC#CCOCCCCOC(=O)C 34a_100000073216_100009813939 [0,2,0,0,0,0|0,0,2]=4 17995 B13R0.54 CCC#CCOCCCCOC(=O)C 7a_100000073216_100009813939 [0,2,0,0,0,0|0,0,2]=4 17996 B13R0.54 CCC#CCOCCCCSC(=O)C 34a_100000032950_200010402107 [0,2,0,0,0,0|0,0,2]=4 17997 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009813939_100009817443 [0,2,0,0,0,0|1,0,1]=4 17998 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009817443_100009813939 [0,2,0,0,0,0|1,0,1]=4 17999 B13R0.54 CCC#CCSCCCCOC(=O)C 62a_100000033659_100009813939 [0,2,0,0,0,0|0,0,2]=4 18000 B13R0.54 CCC#CCSCCCCOC(=O)C 62a_100009813939_100000033659 [0,2,0,0,0,0|0,0,2]=4 18001 B13R0.54 CCC#CCSCCCCSC(=O)C 62a_100009813939_200010402107 [0,2,0,0,0,0|0,0,2]=4 18002 B13R0.54 CCC#CCSCCCCSC(=O)C 62a_200010402107_100009813939 [0,2,0,0,0,0|0,0,2]=4 18003 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,2,0,0,0,0|0,0,1]=3 18004 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,2,0,0,0,0|0,0,1]=3 18005 B13R0.54 CCC/C=C/COCCCOC(=O)C 34a_100016278788_100000042594 [0,2,0,0,0,0|0,0,2]=4 18006 B13R0.54 CCC/C=C/COCCCOC(=O)C 7a_100016278788_100000042594 [0,2,0,0,0,0|0,0,2]=4 18007 B13R0.54 CCC/C=C/COCCCSC(=O)C 34a_100016278788_100000038929 [0,2,0,0,0,0|0,0,2]=4 18008 B13R0.54 CCC/C=C/COCCCSC(=O)C 7a_100016278788_100000038929 [0,2,0,0,0,0|0,0,2]=4 18009 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,2,0,0,0,0|0,0,1]=3 18010 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,2,0,0,0,0|0,0,1]=3 18011 B13R0.54 CCCC#CCCOCCCC(=O)N 34a_100000042726_100102525003 [0,2,0,0,0,0|1,0,1]=4 18012 B13R0.54 CCCC#CCCOCCCC(=O)N 7a_100000042726_100102525003 [0,2,0,0,0,0|1,0,1]=4 18013 B13R0.54 CCCC#CCCOCCNC(=O)C 7a_100000042726_100000189650 [0,2,0,0,0,0|0,0,2]=4 18014 B13R0.54 CCCC#CCCOCCOC(=O)C 34a_100000042726_100009814007 [0,2,0,0,0,0|0,0,2]=4 18015 B13R0.54 CCCC#CCCOCCOC(=O)C 7a_100000042726_100009814007 [0,2,0,0,0,0|0,0,2]=4 18016 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,2,0,0,0,0|0,0,1]=3 18017 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,2,0,0,0,0|0,0,1]=3 18018 B13R0.54 CCCC#CCOCCCOC(=O)C 34a_100000034806_100000042594 [0,2,0,0,0,0|0,0,2]=4 18019 B13R0.54 CCCC#CCOCCCOC(=O)C 7a_100000034806_100000042594 [0,2,0,0,0,0|0,0,2]=4 18020 B13R0.54 CCCC#CCOCCCSC(=O)C 34a_100000034806_100000038929 [0,2,0,0,0,0|0,0,2]=4 18021 B13R0.54 CCCC#CCOCCCSC(=O)C 7a_100000034806_100000038929 [0,2,0,0,0,0|0,0,2]=4 18022 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,2,0,0,0,0|0,0,1]=3 18023 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,2,0,0,0,0|0,0,1]=3 18024 B13R0.54 CCCC/C=C/COCCCC(=O)N 34a_200016272032_100102525003 [0,2,0,0,0,0|1,0,1]=4 18025 B13R0.54 CCCC/C=C/COCCCC(=O)N 7a_200016272032_100102525003 [0,2,0,0,0,0|1,0,1]=4 18026 B13R0.54 CCCC/C=C/COCCNC(=O)C 7a_200016272032_100000189650 [0,2,0,0,0,0|0,0,2]=4 18027 B13R0.54 CCCC/C=C/COCCOC(=O)C 34a_200016272032_100009814007 [0,2,0,0,0,0|0,0,2]=4 18028 B13R0.54 CCCC/C=C/COCCOC(=O)C 7a_200016272032_100009814007 [0,2,0,0,0,0|0,0,2]=4 18029 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,2,0,0,0,0|0,0,1]=3 18030 B13R0.54 CCCC/C=C\CCOCCC(=O)N 34a_200016286491_100000731001 [0,2,0,0,0,0|1,0,1]=4 18031 B13R0.54 CCCC/C=C\CCOCCC(=O)N 7a_200016286491_100000744528 [0,2,0,0,0,0|1,0,1]=4 18032 B13R0.54 CCCC/C=C\CCOCOC(=O)C 34a_200016286491_100009813279 [0,2,0,0,0,0|0,0,2]=4 18033 B13R0.54 CCCCC#CCCCNCC(=O)N 2230a_100000711301_200000047210 [0,2,0,0,0,0|1,0,1]=4 18034 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,2,0,0,0,0|1,0,1]=4 18035 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,2,0,0,0,0|0,0,1]=3 18036 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_100000747473_200000047210 [0,2,0,0,0,0|1,0,1]=4 18037 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_200000047210_100000747473 [0,2,0,0,0,0|1,0,1]=4 18038 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_100020667443_200000047210 [0,2,0,0,0,0|1,0,1]=4 18039 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_200000047210_100020667443 [0,2,0,0,0,0|1,0,1]=4 18040 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,2,0,0,0,0|0,0,1]=3 18041 B13R0.54 CCCCC#CCCOCCC(=O)N 34a_100000037610_100000731001 [0,2,0,0,0,0|1,0,1]=4 18042 B13R0.54 CCCCC#CCCOCCC(=O)N 7a_100000037610_100000744528 [0,2,0,0,0,0|1,0,1]=4 18043 B13R0.54 CCCCC#CCCOCOC(=O)C 34a_100000037610_100009813279 [0,2,0,0,0,0|0,0,2]=4 18044 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,2,0,0,0,0|0,0,1]=3 18045 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,2,0,0,0,0|0,0,1]=3 18046 B13R0.54 CCCCC#CCOCCCC(=O)N 34a_200000034558_100102525003 [0,2,0,0,0,0|1,0,1]=4 18047 B13R0.54 CCCCC#CCOCCCC(=O)N 7a_200000034558_100102525003 [0,2,0,0,0,0|1,0,1]=4 18048 B13R0.54 CCCCC#CCOCCNC(=O)C 7a_200000034558_100000189650 [0,2,0,0,0,0|0,0,2]=4 18049 B13R0.54 CCCCC#CCOCCOC(=O)C 34a_200000034558_100009814007 [0,2,0,0,0,0|0,0,2]=4 18050 B13R0.54 CCCCC#CCOCCOC(=O)C 7a_200000034558_100009814007 [0,2,0,0,0,0|0,0,2]=4 18051 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,2,0,0,0,0|0,0,1]=3 18052 B13R0.54 CCCCC/C=C/COCCC(=O)N 34a_100016258190_100000731001 [0,2,0,0,0,0|1,0,1]=4 18053 B13R0.54 CCCCC/C=C/COCCC(=O)N 7a_100016258190_100000744528 [0,2,0,0,0,0|1,0,1]=4 18054 B13R0.54 CCCCC/C=C/COCOC(=O)C 34a_100016258190_100009813279 [0,2,0,0,0,0|0,0,2]=4 18055 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,2,0,0,0,0|1,0,1]=4 18056 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,2,0,0,0,0|1,0,1]=4 18057 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,2,0,0,0,0|1,0,1]=4 18058 B13R0.54 CCCCCC#CCCOCC(=O)N 34a_200000042877_100000187820 [0,2,0,0,0,0|1,0,1]=4 18059 B13R0.54 CCCCCC#CCCOCC(=O)N 7a_200000042877_100000187820 [0,2,0,0,0,0|1,0,1]=4 18060 B13R0.54 CCCCCC#CCCOCC(=O)[O-] 34a_200000042877_100020667443 [0,2,0,0,0,0|1,0,1]=4 18061 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,2,0,0,0,0|0,0,1]=3 18062 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,2,0,0,0,0|0,0,1]=3 18063 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,2,0,0,0,0|0,0,1]=3 18064 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_100000757172_100009816472 [0,2,0,0,0,0|1,0,1]=4 18065 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_200000033628_100000731001 [0,2,0,0,0,0|1,0,1]=4 18066 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_100000757172_100009816472 [0,2,0,0,0,0|1,0,1]=4 18067 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_200000033628_100000744528 [0,2,0,0,0,0|1,0,1]=4 18068 B13R0.54 CCCCCC#CCOCOC(=O)C 34a_200000033628_100009813279 [0,2,0,0,0,0|0,0,2]=4 18069 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,2,0,0,0,0|0,0,1]=3 18070 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,2,0,0,0,0|0,0,1]=3 18071 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100000744528_100009816472 [0,2,0,0,0,0|1,0,1]=4 18072 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100009816472_100000744528 [0,2,0,0,0,0|1,0,1]=4 18073 B13R0.54 CCCCCC#CCSCOC(=O)C 62a_100000076356_100009816472 [0,2,0,0,0,0|0,0,2]=4 18074 B13R0.54 CCCCCC#CCSCOC(=O)C 62a_100009816472_100000076356 [0,2,0,0,0,0|0,0,2]=4 18075 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,2,0,0,0,0|1,0,1]=4 18076 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,2,0,0,0,0|1,0,1]=4 18077 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,2,0,0,0,0|1,0,1]=4 18078 B13R0.54 CCCCCCC#CCOCC(=O)N 34a_200000037284_100000187820 [0,2,0,0,0,0|1,0,1]=4 18079 B13R0.54 CCCCCCC#CCOCC(=O)N 7a_200000037284_100000187820 [0,2,0,0,0,0|1,0,1]=4 18080 B13R0.54 CCCCCCC#CCOCC(=O)[O-] 34a_200000037284_100020667443 [0,2,0,0,0,0|1,0,1]=4 18081 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,2,0,0,0,0|0,0,1]=3 18082 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,2,0,0,0,0|0,0,0]=2 18083 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,2,0,0,0,0|0,0,0]=2 18084 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,2,0,0,0,0|0,0,0]=2 18085 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,2,0,0,0,0|0,0,0]=2 18086 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,2,0,0,0,0|0,0,0]=2 18087 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,2,0,0,0,0|2,0,0]=4 18088 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,2,0,0,0,0|2,0,0]=4 18089 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,2,0,0,0,0|0,0,0]=2 18090 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,2,0,0,0,0|0,0,0]=2 18091 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,2,0,0,0,0|0,0,0]=2 18092 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,2,0,0,0,0|0,0,0]=2 18093 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,2,0,0,0,0|1,0,1]=4 18094 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,2,0,0,0,0|1,0,1]=4 18095 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,2,0,0,0,0|1,0,1]=4 18096 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,2,0,0,0,0|1,0,1]=4 18097 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,2,0,0,0,0|1,0,1]=4 18098 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,2,0,0,0,0|1,0,1]=4 18099 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,2,0,0,0,0|1,0,1]=4 18100 B13R0.54 CCCCCCCCCCSC(C)C 62a_100000210206_100000210320 [0,2,0,0,0,0|1,0,1]=4 18101 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,2,0,0,0,0|1,0,0]=3 18102 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,2,0,0,0,0|1,0,0]=3 18103 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,2,0,0,0,0|1,0,0]=3 18104 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|1,0,0]=3 18105 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,2,0,0,0,0|1,0,0]=3 18106 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [0,2,0,0,0,0|1,0,1]=4 18107 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [0,2,0,0,0,0|1,0,1]=4 18108 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [0,2,0,0,0,0|1,0,1]=4 18109 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [0,2,0,0,0,0|1,0,1]=4 18110 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [0,2,0,0,0,0|1,0,1]=4 18111 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,2,0,0,0,0|0,0,2]=4 18112 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,2,0,0,0,0|0,0,2]=4 18113 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,2,0,0,0,0|0,0,2]=4 18114 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,2,0,0,0,0|0,0,2]=4 18115 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,2,0,0,0,0|0,0,2]=4 18116 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,2,0,0,0,0|0,0,2]=4 18117 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,2,0,0,0,0|2,0,0]=4 18118 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,2,0,0,0,0|0,0,0]=2 18119 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,2,0,0,0,0|1,0,0]=3 18120 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,2,0,0,0,0|1,0,0]=3 18121 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,2,0,0,0,0|1,0,0]=3 18122 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,2,0,0,0,0|1,0,1]=4 18123 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,2,0,0,0,0|1,0,1]=4 18124 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,2,0,0,0,0|1,0,1]=4 18125 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,2,0,0,0,0|1,0,1]=4 18126 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,2,0,0,0,0|1,0,1]=4 18127 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 18128 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 18129 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,2,0,0,0,0|1,0,1]=4 18130 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,2,0,0,0,0|1,0,1]=4 18131 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 18132 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 18133 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,2,0,0,0,0|2,0,0]=4 18134 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,2,0,0,0,0|1,0,0]=3 18135 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,2,0,0,0,0|1,0,0]=3 18136 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [0,2,0,0,0,0|1,0,1]=4 18137 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,2,0,0,0,0|0,0,2]=4 18138 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,2,0,0,0,0|0,0,2]=4 18139 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,2,0,0,0,0|1,0,0]=3 18140 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,2,0,0,0,0|1,0,0]=3 18141 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,2,0,0,0,0|1,0,0]=3 18142 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,2,0,0,0,0|1,0,0]=3 18143 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,2,0,0,0,0|1,0,0]=3 18144 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [0,2,0,0,0,0|1,0,1]=4 18145 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [0,2,0,0,0,0|1,0,1]=4 18146 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [0,2,0,0,0,0|1,0,1]=4 18147 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,2,0,0,0,0|0,0,2]=4 18148 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,2,0,0,0,0|0,0,2]=4 18149 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,2,0,0,0,0|0,0,2]=4 18150 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,2,0,0,0,0|0,0,0]=2 18151 B13R0.54 CCCCCCCCNCOC(C)C 2230a_100000229939_100000709892 [0,2,0,0,0,0|1,0,1]=4 18152 B13R0.54 CCCCCCCCNCOC(C)C 34a_100000229939_100000709892 [0,2,0,0,0,0|1,0,1]=4 18153 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|1,0,0]=3 18154 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,2,0,0,0,0|1,0,0]=3 18155 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,2,0,0,0,0|1,0,0]=3 18156 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,2,0,0,0,0|1,0,0]=3 18157 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,2,0,0,0,0|0,0,0]=2 18158 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,2,0,0,0,0|0,0,0]=2 18159 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,2,0,0,0,0|0,0,0]=2 18160 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,2,0,0,0,0|1,0,0]=3 18161 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,2,0,0,0,0|1,0,0]=3 18162 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,2,0,0,0,0|1,0,0]=3 18163 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,2,0,0,0,0|1,0,0]=3 18164 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,2,0,0,0,0|1,0,1]=4 18165 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,2,0,0,0,0|1,0,1]=4 18166 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,2,0,0,0,0|1,0,1]=4 18167 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,2,0,0,0,0|1,0,1]=4 18168 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,2,0,0,0,0|1,0,1]=4 18169 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 18170 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 18171 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,2,0,0,0,0|2,0,0]=4 18172 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,2,0,0,0,0|1,0,1]=4 18173 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,2,0,0,0,0|0,0,0]=2 18174 B13R0.54 CCCCCCCCOCOC(C)C 34a_100000210232_100000709892 [0,2,0,0,0,0|1,0,1]=4 18175 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,2,0,0,0,0|1,0,0]=3 18176 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,2,0,0,0,0|1,0,0]=3 18177 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,2,0,0,0,0|0,0,0]=2 18178 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,2,0,0,0,0|0,0,0]=2 18179 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,2,0,0,0,0|1,0,0]=3 18180 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,2,0,0,0,0|1,0,0]=3 18181 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210312_100000210317 [0,2,0,0,0,0|1,0,1]=4 18182 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210759_100000210312 [0,2,0,0,0,0|1,0,1]=4 18183 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,2,0,0,0,0|0,0,2]=4 18184 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,2,0,0,0,0|0,0,2]=4 18185 B13R0.54 CCCCCCCCSCCN(C)C 62a_100000210759_100000755713 [0,2,0,0,0,0|2,0,0]=4 18186 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,2,0,0,0,0|0,0,0]=2 18187 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,2,0,0,0,0|0,0,0]=2 18188 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000210759_100000709892 [0,2,0,0,0,0|1,0,1]=4 18189 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000709892_100000210317 [0,2,0,0,0,0|1,0,1]=4 18190 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,2,0,0,0,0|1,0,0]=3 18191 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,2,0,0,0,0|2,0,0]=4 18192 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,2,0,0,0,0|1,0,0]=3 18193 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [0,2,0,0,0,0|1,0,1]=4 18194 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [0,2,0,0,0,0|1,0,1]=4 18195 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [0,2,0,0,0,0|1,0,1]=4 18196 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,2,0,0,0,0|0,0,2]=4 18197 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,2,0,0,0,0|1,0,0]=3 18198 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,2,0,0,0,0|0,0,0]=2 18199 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,2,0,0,0,0|0,0,0]=2 18200 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,2,0,0,0,0|1,0,0]=3 18201 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,2,0,0,0,0|1,0,0]=3 18202 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000229938_100000211751 [0,2,0,0,0,0|1,0,1]=4 18203 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000701111_100000210681 [0,2,0,0,0,0|1,0,1]=4 18204 B13R0.54 CCCCCCCNCCOC(C)C 34a_100000701111_100000210614 [0,2,0,0,0,0|1,0,1]=4 18205 B13R0.54 CCCCCCCNCCSC(C)C 2230a_100000229938_100000730970 [0,2,0,0,0,0|1,0,1]=4 18206 B13R0.54 CCCCCCCNCCSC(C)C 2230a_100000731138_100000210681 [0,2,0,0,0,0|1,0,1]=4 18207 B13R0.54 CCCCCCCNCCSC(C)C 34a_100000731138_100000210614 [0,2,0,0,0,0|1,0,1]=4 18208 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,2,0,0,0,0|1,0,0]=3 18209 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,2,0,0,0,0|1,0,0]=3 18210 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,2,0,0,0,0|2,0,0]=4 18211 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,2,0,0,0,0|2,0,0]=4 18212 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,2,0,0,0,0|0,0,0]=2 18213 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,2,0,0,0,0|0,0,0]=2 18214 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,2,0,0,0,0|0,0,0]=2 18215 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,2,0,0,0,0|0,0,0]=2 18216 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,2,0,0,0,0|1,0,0]=3 18217 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,2,0,0,0,0|1,0,0]=3 18218 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [0,2,0,0,0,0|1,0,1]=4 18219 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [0,2,0,0,0,0|1,0,1]=4 18220 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [0,2,0,0,0,0|1,0,1]=4 18221 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [0,2,0,0,0,0|1,0,1]=4 18222 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,2,0,0,0,0|0,0,2]=4 18223 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,2,0,0,0,0|0,0,2]=4 18224 B13R0.54 CCCCCCCOCCCN(C)C 7a_100000210272_100000757444 [0,2,0,0,0,0|2,0,0]=4 18225 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,2,0,0,0,0|2,0,0]=4 18226 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,2,0,0,0,0|0,0,0]=2 18227 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,2,0,0,0,0|0,0,0]=2 18228 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,2,0,0,0,0|1,0,0]=3 18229 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,2,0,0,0,0|1,0,0]=3 18230 B13R0.54 CCCCCCCOCCNC(C)C 34a_100000224655_100000210614 [0,2,0,0,0,0|1,0,1]=4 18231 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,2,0,0,0,0|0,0,0]=2 18232 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,2,0,0,0,0|0,0,0]=2 18233 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,2,0,0,0,0|1,0,0]=3 18234 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,2,0,0,0,0|1,0,0]=3 18235 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,2,0,0,0,0|1,0,0]=3 18236 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000210272_100000211751 [0,2,0,0,0,0|1,0,1]=4 18237 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000211219_100000210614 [0,2,0,0,0,0|1,0,1]=4 18238 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000210272_100000211751 [0,2,0,0,0,0|1,0,1]=4 18239 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000211219_100000210614 [0,2,0,0,0,0|1,0,1]=4 18240 B13R0.54 CCCCCCCOCCSC(C)C 34a_100000210272_100000730970 [0,2,0,0,0,0|1,0,1]=4 18241 B13R0.54 CCCCCCCOCCSC(C)C 34a_200011212901_100000210614 [0,2,0,0,0,0|1,0,1]=4 18242 B13R0.54 CCCCCCCOCCSC(C)C 7a_100000210272_100000730970 [0,2,0,0,0,0|1,0,1]=4 18243 B13R0.54 CCCCCCCOCCSC(C)C 7a_200011212901_100000210614 [0,2,0,0,0,0|1,0,1]=4 18244 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,2,0,0,0,0|1,0,0]=3 18245 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,2,0,0,0,0|1,0,0]=3 18246 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,2,0,0,0,0|2,0,0]=4 18247 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,2,0,0,0,0|2,0,0]=4 18248 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,2,0,0,0,0|0,0,0]=2 18249 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,2,0,0,0,0|0,0,0]=2 18250 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,2,0,0,0,0|1,0,0]=3 18251 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,2,0,0,0,0|1,0,0]=3 18252 B13R0.54 CCCCCCCSCCCC(C)C 62a_100000210614_100011214892 [0,2,0,0,0,0|1,0,1]=4 18253 B13R0.54 CCCCCCCSCCCC(C)C 62a_100011214892_100000210316 [0,2,0,0,0,0|1,0,1]=4 18254 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,2,0,0,0,0|0,0,2]=4 18255 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,2,0,0,0,0|0,0,2]=4 18256 B13R0.54 CCCCCCCSCCCN(C)C 62a_100000210614_100000757444 [0,2,0,0,0,0|2,0,0]=4 18257 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,2,0,0,0,0|0,0,0]=2 18258 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,2,0,0,0,0|0,0,0]=2 18259 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,2,0,0,0,0|1,0,0]=3 18260 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,2,0,0,0,0|1,0,0]=3 18261 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,2,0,0,0,0|0,0,0]=2 18262 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,2,0,0,0,0|0,0,0]=2 18263 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,2,0,0,0,0|1,0,0]=3 18264 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,2,0,0,0,0|1,0,0]=3 18265 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000210614_100000211751 [0,2,0,0,0,0|1,0,1]=4 18266 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000211751_100000210316 [0,2,0,0,0,0|1,0,1]=4 18267 B13R0.54 CCCCCCCSCCSC(C)C 62a_100000210614_100000730970 [0,2,0,0,0,0|1,0,1]=4 18268 B13R0.54 CCCCCCCSCCSC(C)C 62a_100000730970_100000210316 [0,2,0,0,0,0|1,0,1]=4 18269 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,2,0,0,0,0|1,0,0]=3 18270 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [0,2,0,0,0,0|1,0,1]=4 18271 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,2,0,0,0,0|0,0,0]=2 18272 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,2,0,0,0,0|0,1,0]=3 18273 B13R0.54 CCCCCCNCCCOC(C)C 2230a_100000737246_100000210314 [0,2,0,0,0,0|1,0,1]=4 18274 B13R0.54 CCCCCCNCCCOC(C)C 34a_100000737246_100000210314 [0,2,0,0,0,0|1,0,1]=4 18275 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,2,0,0,0,0|0,0,0]=2 18276 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,2,0,0,0,0|1,0,0]=3 18277 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,2,0,0,0,0|1,0,0]=3 18278 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,2,0,0,0,0|0,0,0]=2 18279 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,2,0,0,0,0|0,0,0]=2 18280 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,2,0,0,0,0|1,0,0]=3 18281 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,2,0,0,0,0|1,0,0]=3 18282 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [0,2,0,0,0,0|1,0,1]=4 18283 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [0,2,0,0,0,0|1,0,1]=4 18284 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [0,2,0,0,0,0|1,0,1]=4 18285 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [0,2,0,0,0,0|1,0,1]=4 18286 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,2,0,0,0,0|2,0,0]=4 18287 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,2,0,0,0,0|2,0,0]=4 18288 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,2,0,0,0,0|0,0,0]=2 18289 B13R0.54 CCCCCCOCCCNC(C)C 34a_100000182298_100000210314 [0,2,0,0,0,0|1,0,1]=4 18290 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,2,0,0,0,0|0,0,0]=2 18291 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,2,0,0,0,0|0,0,0]=2 18292 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,2,0,0,0,0|0,1,0]=3 18293 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,2,0,0,0,0|0,1,0]=3 18294 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,2,0,0,0,0|0,0,0]=2 18295 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,2,0,0,0,0|0,0,0]=2 18296 B13R0.54 CCCCCCOCCNCC(C)C 34a_100015185251_100000210314 [0,2,0,0,0,0|1,0,1]=4 18297 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,2,0,0,0,0|1,0,0]=3 18298 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,2,0,0,0,0|1,0,0]=3 18299 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,2,0,0,0,0|1,0,0]=3 18300 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,2,0,0,0,0|1,0,0]=3 18301 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,2,0,0,0,0|1,0,0]=3 18302 B13R0.54 CCCCCCOCCOCC(C)C 34a_100000691444_100000210624 [0,2,0,0,0,0|1,0,1]=4 18303 B13R0.54 CCCCCCOCCOCC(C)C 34a_100000703358_100000210314 [0,2,0,0,0,0|1,0,1]=4 18304 B13R0.54 CCCCCCOCCOCC(C)C 7a_100000691444_100000210760 [0,2,0,0,0,0|1,0,1]=4 18305 B13R0.54 CCCCCCOCCOCC(C)C 7a_100000703358_100000210314 [0,2,0,0,0,0|1,0,1]=4 18306 B13R0.54 CCCCCCOCCOCC(C)O 34a_100000691444_100011218427 [0,2,0,0,0,0|0,0,2]=4 18307 B13R0.54 CCCCCCOCCOCC(C)O 7a_100000691444_100011218427 [0,2,0,0,0,0|0,0,2]=4 18308 B13R0.54 CCCCCCOCCOC[C@@H](C)O 34a_100000691444_100009817552 [0,2,0,0,0,0|0,0,2]=4 18309 B13R0.54 CCCCCCOCCOC[C@@H](C)O 7a_100000691444_100009817552 [0,2,0,0,0,0|0,0,2]=4 18310 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] 34a_100000691444_100000761209 [0,2,0,0,0,0|2,0,0]=4 18311 B13R0.54 CCCCCCOCCSCC(C)C 34a_200000230437_100000210314 [0,2,0,0,0,0|1,0,1]=4 18312 B13R0.54 CCCCCCOCCSCC(C)C 7a_200000230437_100000210314 [0,2,0,0,0,0|1,0,1]=4 18313 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,2,0,0,0,0|0,0,0]=2 18314 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,2,0,0,0,0|0,0,0]=2 18315 B13R0.54 CCCCCCSCCCCC(C)C 62a_100000210314_100011216152 [0,2,0,0,0,0|1,0,1]=4 18316 B13R0.54 CCCCCCSCCCCC(C)C 62a_100011216152_100000210757 [0,2,0,0,0,0|1,0,1]=4 18317 B13R0.54 CCCCCCSCCCCN(C)C 62a_100000210314_100000690147 [0,2,0,0,0,0|2,0,0]=4 18318 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,2,0,0,0,0|0,0,0]=2 18319 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,2,0,0,0,0|0,0,0]=2 18320 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,2,0,0,0,0|0,1,0]=3 18321 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,2,0,0,0,0|0,1,0]=3 18322 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,2,0,0,0,0|0,0,0]=2 18323 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,2,0,0,0,0|0,0,0]=2 18324 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,2,0,0,0,0|1,0,0]=3 18325 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,2,0,0,0,0|1,0,0]=3 18326 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,2,0,0,0,0|1,0,0]=3 18327 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [0,2,0,0,0,0|1,0,1]=4 18328 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [0,2,0,0,0,0|1,0,1]=4 18329 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [0,2,0,0,0,0|1,0,1]=4 18330 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,2,0,0,0,0|0,0,0]=2 18331 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,2,0,0,0,0|0,0,0]=2 18332 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,2,0,0,0,0|0,0,0]=2 18333 B13R0.54 CCCCCNCCCOCC(C)C 2230a_100000205972_100000210326 [0,2,0,0,0,0|1,0,1]=4 18334 B13R0.54 CCCCCNCCCOCC(C)C 34a_100000205972_100000718602 [0,2,0,0,0,0|1,0,1]=4 18335 B13R0.54 CCCCCNCCOCC=C(C)C 34a_100000224656_100000761012 [0,2,0,0,0,0|1,0,1]=4 18336 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,2,0,0,0,0|1,0,0]=3 18337 B13R0.54 CCCCCNCCOCCC(C)C 34a_100000224656_100000210312 [0,2,0,0,0,0|1,0,1]=4 18338 B13R0.54 CCCCCNCCOCCC(C)O 34a_100000224656_100012276601 [0,2,0,0,0,0|0,0,2]=4 18339 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,2,0,0,0,0|1,0,0]=3 18340 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,2,0,0,0,0|1,0,0]=3 18341 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,2,0,0,0,0|1,0,0]=3 18342 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,2,0,0,0,0|1,0,0]=3 18343 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,2,0,0,0,0|1,0,0]=3 18344 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,2,0,0,0,0|1,0,0]=3 18345 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [0,2,0,0,0,0|1,0,1]=4 18346 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [0,2,0,0,0,0|1,0,1]=4 18347 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [0,2,0,0,0,0|1,0,1]=4 18348 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [0,2,0,0,0,0|1,0,1]=4 18349 B13R0.54 CCCCCOCCCCNC(C)C 34a_100011521146_100000718602 [0,2,0,0,0,0|1,0,1]=4 18350 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,2,0,0,0,0|0,0,0]=2 18351 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,2,0,0,0,0|0,0,0]=2 18352 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,2,0,0,0,0|0,0,0]=2 18353 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,2,0,0,0,0|0,0,0]=2 18354 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,2,0,0,0,0|2,0,0]=4 18355 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,2,0,0,0,0|2,0,0]=4 18356 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,2,0,0,0,0|0,0,0]=2 18357 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,2,0,0,0,0|0,0,0]=2 18358 B13R0.54 CCCCCOCCOCC=C(C)C 34a_100011215259_100000761012 [0,2,0,0,0,0|1,0,1]=4 18359 B13R0.54 CCCCCOCCOCC=C(C)C 7a_100011215259_100000761012 [0,2,0,0,0,0|1,0,1]=4 18360 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,2,0,0,0,0|0,0,0]=2 18361 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,2,0,0,0,0|1,0,0]=3 18362 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,2,0,0,0,0|1,0,0]=3 18363 B13R0.54 CCCCCOCCOCCC(C)C 34a_100011215259_100000210312 [0,2,0,0,0,0|1,0,1]=4 18364 B13R0.54 CCCCCOCCOCCC(C)C 7a_100011215259_100000210626 [0,2,0,0,0,0|1,0,1]=4 18365 B13R0.54 CCCCCOCCOCCC(C)O 34a_100011215259_100012276601 [0,2,0,0,0,0|0,0,2]=4 18366 B13R0.54 CCCCCOCCOCCC(C)O 7a_100011215259_100012276601 [0,2,0,0,0,0|0,0,2]=4 18367 B13R0.54 CCCCCOCCOCCN(C)C 7a_100011215259_100000755713 [0,2,0,0,0,0|2,0,0]=4 18368 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,2,0,0,0,0|1,0,0]=3 18369 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,2,0,0,0,0|1,0,0]=3 18370 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,2,0,0,0,0|1,0,0]=3 18371 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,2,0,0,0,0|1,0,0]=3 18372 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210326_100000210682 [0,2,0,0,0,0|1,0,1]=4 18373 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210682_100000210326 [0,2,0,0,0,0|1,0,1]=4 18374 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,2,0,0,0,0|0,0,0]=2 18375 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,2,0,0,0,0|0,0,0]=2 18376 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,2,0,0,0,0|2,0,0]=4 18377 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,2,0,0,0,0|0,0,0]=2 18378 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,2,0,0,0,0|0,0,0]=2 18379 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,2,0,0,0,0|1,0,0]=3 18380 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,2,0,0,0,0|1,0,0]=3 18381 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [0,2,0,0,0,0|1,0,1]=4 18382 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [0,2,0,0,0,0|1,0,1]=4 18383 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,2,0,0,0,0|0,0,0]=2 18384 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,2,0,0,0,0|0,0,0]=2 18385 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,2,0,0,0,0|0,0,0]=2 18386 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,2,0,0,0,0|0,0,0]=2 18387 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,2,0,0,0,0|1,0,0]=3 18388 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,2,0,0,0,0|1,0,0]=3 18389 B13R0.54 CCCCNCCCCOCC(C)C 34a_200011216965_100000210624 [0,2,0,0,0,0|1,0,1]=4 18390 B13R0.54 CCCCNCCCCOCC(C)O 34a_200011216965_100011218427 [0,2,0,0,0,0|0,0,2]=4 18391 B13R0.54 CCCCNCCCCOC[C@@H](C)O 34a_200011216965_100009817552 [0,2,0,0,0,0|0,0,2]=4 18392 B13R0.54 CCCCNCCCCOC[N+](=O)[O-] 34a_200011216965_100000761209 [0,2,0,0,0,0|2,0,0]=4 18393 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,2,0,0,0,0|1,0,0]=3 18394 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,2,0,0,0,0|1,0,0]=3 18395 B13R0.54 CCCCOCCCCCNC(C)C 34a_100011629493_100000210210 [0,2,0,0,0,0|1,0,1]=4 18396 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,2,0,0,0,0|0,0,0]=2 18397 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,2,0,0,0,0|0,0,0]=2 18398 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,2,0,0,0,0|1,0,0]=3 18399 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,2,0,0,0,0|1,0,0]=3 18400 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,2,0,0,0,0|1,0,0]=3 18401 B13R0.54 CCCCOCCCCOCC(C)C 34a_200000760531_100000210624 [0,2,0,0,0,0|1,0,1]=4 18402 B13R0.54 CCCCOCCCCOCC(C)C 7a_200000760531_100000210760 [0,2,0,0,0,0|1,0,1]=4 18403 B13R0.54 CCCCOCCCCOCC(C)O 34a_200000760531_100011218427 [0,2,0,0,0,0|0,0,2]=4 18404 B13R0.54 CCCCOCCCCOCC(C)O 7a_200000760531_100011218427 [0,2,0,0,0,0|0,0,2]=4 18405 B13R0.54 CCCCOCCCCOC[C@@H](C)O 34a_200000760531_100009817552 [0,2,0,0,0,0|0,0,2]=4 18406 B13R0.54 CCCCOCCCCOC[C@@H](C)O 7a_200000760531_100009817552 [0,2,0,0,0,0|0,0,2]=4 18407 B13R0.54 CCCCOCCCCOC[N+](=O)[O-] 34a_200000760531_100000761209 [0,2,0,0,0,0|2,0,0]=4 18408 B13R0.54 CCCCOCCCNCC=C(C)C 2230a_200000211371_100000761012 [0,2,0,0,0,0|1,0,1]=4 18409 B13R0.54 CCCCOCCCNCC=C(C)C 34a_200000211371_100000761012 [0,2,0,0,0,0|1,0,1]=4 18410 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,2,0,0,0,0|1,0,0]=3 18411 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,2,0,0,0,0|1,0,0]=3 18412 B13R0.54 CCCCOCCCNCCC(C)C 2230a_200000211371_100000210312 [0,2,0,0,0,0|1,0,1]=4 18413 B13R0.54 CCCCOCCCNCCC(C)C 269862a_200000211371_100000185833 [0,2,0,0,0,0|1,0,1]=4 18414 B13R0.54 CCCCOCCCNCCC(C)C 34a_200000211371_100000210312 [0,2,0,0,0,0|1,0,1]=4 18415 B13R0.54 CCCCOCCCNCCC(C)O 2230a_200000211371_100012276601 [0,2,0,0,0,0|0,0,2]=4 18416 B13R0.54 CCCCOCCCNCCC(C)O 34a_200000211371_100012276601 [0,2,0,0,0,0|0,0,2]=4 18417 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,2,0,0,0,0|1,0,0]=3 18418 B13R0.54 CCCCOCCCOCC=C(C)C 34a_200011215613_100000761012 [0,2,0,0,0,0|1,0,1]=4 18419 B13R0.54 CCCCOCCCOCC=C(C)C 7a_200011215613_100000761012 [0,2,0,0,0,0|1,0,1]=4 18420 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,2,0,0,0,0|0,0,0]=2 18421 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,2,0,0,0,0|1,0,0]=3 18422 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,2,0,0,0,0|1,0,0]=3 18423 B13R0.54 CCCCOCCCOCCC(C)C 34a_200011215613_100000210312 [0,2,0,0,0,0|1,0,1]=4 18424 B13R0.54 CCCCOCCCOCCC(C)C 7a_200011215613_100000210626 [0,2,0,0,0,0|1,0,1]=4 18425 B13R0.54 CCCCOCCCOCCC(C)O 34a_200011215613_100012276601 [0,2,0,0,0,0|0,0,2]=4 18426 B13R0.54 CCCCOCCCOCCC(C)O 7a_200011215613_100012276601 [0,2,0,0,0,0|0,0,2]=4 18427 B13R0.54 CCCCOCCCOCCN(C)C 7a_200011215613_100000755713 [0,2,0,0,0,0|2,0,0]=4 18428 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,2,0,0,0,0|1,0,0]=3 18429 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,2,0,0,0,0|1,0,0]=3 18430 B13R0.54 CCCCOCCNCCCC(C)C 2230a_200000737386_100000743108 [0,2,0,0,0,0|1,0,1]=4 18431 B13R0.54 CCCCOCCNCCCC(C)C 34a_200000737386_100000743108 [0,2,0,0,0,0|1,0,1]=4 18432 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,2,0,0,0,0|1,0,0]=3 18433 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,2,0,0,0,0|1,0,0]=3 18434 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,2,0,0,0,0|2,0,0]=4 18435 B13R0.54 CCCCOCCOCCC=C(C)C 34a_100000210238_100011217483 [0,2,0,0,0,0|1,0,1]=4 18436 B13R0.54 CCCCOCCOCCC=C(C)C 7a_100000210238_100011217483 [0,2,0,0,0,0|1,0,1]=4 18437 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,2,0,0,0,0|0,0,0]=2 18438 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,2,0,0,0,0|0,0,0]=2 18439 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,2,0,0,0,0|0,0,0]=2 18440 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,2,0,0,0,0|0,0,0]=2 18441 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,2,0,0,0,0|1,0,0]=3 18442 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,2,0,0,0,0|1,0,0]=3 18443 B13R0.54 CCCCOCCOCCCC(C)C 34a_100000210238_100011214892 [0,2,0,0,0,0|1,0,1]=4 18444 B13R0.54 CCCCOCCOCCCC(C)C 34a_100000210774_100000743108 [0,2,0,0,0,0|1,0,1]=4 18445 B13R0.54 CCCCOCCOCCCC(C)C 7a_100000210238_100011214892 [0,2,0,0,0,0|1,0,1]=4 18446 B13R0.54 CCCCOCCOCCCC(C)C 7a_100000210774_100000743108 [0,2,0,0,0,0|1,0,1]=4 18447 B13R0.54 CCCCOCCOCCCC(C)O 34a_100000210238_200000718107 [0,2,0,0,0,0|0,0,2]=4 18448 B13R0.54 CCCCOCCOCCCC(C)O 7a_100000210238_200000718107 [0,2,0,0,0,0|0,0,2]=4 18449 B13R0.54 CCCCOCCOCCCN(C)C 7a_100000210238_100000757444 [0,2,0,0,0,0|2,0,0]=4 18450 B13R0.54 CCCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000743108 [0,2,0,0,0,0|2,0,0]=4 18451 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,2,0,0,0,0|1,0,0]=3 18452 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,2,0,0,0,0|1,0,0]=3 18453 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,2,0,0,0,0|2,0,0]=4 18454 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,2,0,0,0,0|2,0,0]=4 18455 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,2,0,0,0,0|1,0,0]=3 18456 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,2,0,0,0,0|1,0,0]=3 18457 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,2,0,0,0,0|1,0,0]=3 18458 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,2,0,0,0,0|1,0,0]=3 18459 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,2,0,0,0,0|2,0,0]=4 18460 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,2,0,0,0,0|2,0,0]=4 18461 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,2,0,0,0,0|2,0,0]=4 18462 B13R0.54 CCCCOCCSCCC=C(C)C 62a_100000743108_100011217483 [0,2,0,0,0,0|1,0,1]=4 18463 B13R0.54 CCCCOCCSCCC=C(C)C 62a_100011217483_100000743108 [0,2,0,0,0,0|1,0,1]=4 18464 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,2,0,0,0,0|0,0,0]=2 18465 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,2,0,0,0,0|0,0,0]=2 18466 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,2,0,0,0,0|1,0,0]=3 18467 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,2,0,0,0,0|1,0,0]=3 18468 B13R0.54 CCCCOCCSCCCC(C)C 62a_100000743108_100011214892 [0,2,0,0,0,0|1,0,1]=4 18469 B13R0.54 CCCCOCCSCCCC(C)C 62a_100011214892_100000743108 [0,2,0,0,0,0|1,0,1]=4 18470 B13R0.54 CCCCOCCSCCCC(C)O 62a_100000743108_200000718107 [0,2,0,0,0,0|0,0,2]=4 18471 B13R0.54 CCCCOCCSCCCC(C)O 62a_200000718107_100000743108 [0,2,0,0,0,0|0,0,2]=4 18472 B13R0.54 CCCCOCCSCCCN(C)C 62a_100000743108_100000757444 [0,2,0,0,0,0|2,0,0]=4 18473 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,2,0,0,0,0|1,0,0]=3 18474 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,2,0,0,0,0|1,0,0]=3 18475 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,2,0,0,0,0|2,0,0]=4 18476 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,2,0,0,0,0|2,0,0]=4 18477 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,2,0,0,0,0|1,0,0]=3 18478 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,2,0,0,0,0|1,0,0]=3 18479 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,2,0,0,0,0|2,0,0]=4 18480 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,2,0,0,0,0|2,0,0]=4 18481 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,2,0,0,0,0|1,0,0]=3 18482 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,2,0,0,0,0|1,0,0]=3 18483 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,2,0,0,0,0|2,0,0]=4 18484 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,2,0,0,0,0|1,0,0]=3 18485 B13R0.54 CCCCOCOCCCCC(C)C 34a_100011214890_100011995733 [0,2,0,0,0,0|1,0,1]=4 18486 B13R0.54 CCCCOCOCCCC[N+](=O)[O-] 34a_200015379883_100011995733 [0,2,0,0,0,0|2,0,0]=4 18487 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,2,0,0,0,0|1,0,0]=3 18488 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,2,0,0,0,0|0,0,0]=2 18489 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,2,0,0,0,0|0,0,0]=2 18490 B13R0.54 CCCCOCSCCCCC(C)C 62a_100011216152_100011995733 [0,2,0,0,0,0|1,0,1]=4 18491 B13R0.54 CCCCOCSCCCCC(C)C 62a_100011995733_100011216152 [0,2,0,0,0,0|1,0,1]=4 18492 B13R0.54 CCCCOCSCCCCN(C)C 62a_100011995733_100000690147 [0,2,0,0,0,0|2,0,0]=4 18493 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,2,0,0,0,0|1,0,0]=3 18494 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,2,0,0,0,0|1,0,0]=3 18495 B13R0.54 CCCCOCSCCCOC(=S)C 62a_100011995733_200135323944 [0,2,0,0,0,0|1,1,0]=4 18496 B13R0.54 CCCCOCSCCCOC(=S)C 62a_200135323944_100011995733 [0,2,0,0,0,0|1,1,0]=4 18497 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,2,0,0,0,0|1,0,0]=3 18498 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,2,0,0,0,0|1,0,0]=3 18499 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100000076697_100011995733 [0,2,0,0,0,0|2,0,0]=4 18500 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100011995733_100000076697 [0,2,0,0,0,0|2,0,0]=4 18501 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,2,0,0,0,0|0,0,0]=2 18502 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,2,0,0,0,0|0,0,0]=2 18503 B13R0.54 CCCCSCCNCCC=C(C)C 2230a_100025743550_100011217483 [0,2,0,0,0,0|1,0,1]=4 18504 B13R0.54 CCCCSCCNCCCC(C)C 2230a_100025743550_100011214892 [0,2,0,0,0,0|1,0,1]=4 18505 B13R0.54 CCCCSCCNCCCC(C)O 2230a_100025743550_200000718107 [0,2,0,0,0,0|0,0,2]=4 18506 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,2,0,0,0,0|1,0,0]=3 18507 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,2,0,0,0,0|2,0,0]=4 18508 B13R0.54 CCCCSCCOCCC=C(C)C 34a_200000230436_100011217483 [0,2,0,0,0,0|1,0,1]=4 18509 B13R0.54 CCCCSCCOCCC=C(C)C 7a_200000230436_100011217483 [0,2,0,0,0,0|1,0,1]=4 18510 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,2,0,0,0,0|0,0,0]=2 18511 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,2,0,0,0,0|0,0,0]=2 18512 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,2,0,0,0,0|1,0,0]=3 18513 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,2,0,0,0,0|1,0,0]=3 18514 B13R0.54 CCCCSCCOCCCC(C)C 34a_200000230436_100011214892 [0,2,0,0,0,0|1,0,1]=4 18515 B13R0.54 CCCCSCCOCCCC(C)C 7a_200000230436_100011214892 [0,2,0,0,0,0|1,0,1]=4 18516 B13R0.54 CCCCSCCOCCCC(C)O 34a_200000230436_200000718107 [0,2,0,0,0,0|0,0,2]=4 18517 B13R0.54 CCCCSCCOCCCC(C)O 7a_200000230436_200000718107 [0,2,0,0,0,0|0,0,2]=4 18518 B13R0.54 CCCCSCCOCCCN(C)C 7a_200000230436_100000757444 [0,2,0,0,0,0|2,0,0]=4 18519 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,2,0,0,0,0|1,0,0]=3 18520 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,2,0,0,0,0|2,0,0]=4 18521 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,2,0,0,0,0|1,0,0]=3 18522 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,2,0,0,0,0|1,0,0]=3 18523 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,2,0,0,0,0|1,0,0]=3 18524 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,2,0,0,0,0|1,0,0]=3 18525 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,2,0,0,0,0|2,0,0]=4 18526 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,2,0,0,0,0|2,0,0]=4 18527 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,2,0,0,0,0|0,0,0]=2 18528 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,2,0,0,0,0|0,0,0]=2 18529 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,2,0,0,0,0|2,0,0]=4 18530 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [0,2,0,0,0,0|1,0,1]=4 18531 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [0,2,0,0,0,0|1,0,1]=4 18532 B13R0.54 CCCOCCCNCCC=C(C)C 2230a_100011217757_100011217483 [0,2,0,0,0,0|1,0,1]=4 18533 B13R0.54 CCCOCCCNCCC=C(C)C 34a_100011217757_100011217483 [0,2,0,0,0,0|1,0,1]=4 18534 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,2,0,0,0,0|0,0,0]=2 18535 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,2,0,0,0,0|1,0,0]=3 18536 B13R0.54 CCCOCCCNCCCC(C)C 2230a_100011217757_100011214892 [0,2,0,0,0,0|1,0,1]=4 18537 B13R0.54 CCCOCCCNCCCC(C)C 34a_100011217757_100011214892 [0,2,0,0,0,0|1,0,1]=4 18538 B13R0.54 CCCOCCCNCCCC(C)O 2230a_100011217757_200000718107 [0,2,0,0,0,0|0,0,2]=4 18539 B13R0.54 CCCOCCCNCCCC(C)O 34a_100011217757_200000718107 [0,2,0,0,0,0|0,0,2]=4 18540 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,2,0,0,0,0|1,0,0]=3 18541 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,2,0,0,0,0|2,0,0]=4 18542 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,2,0,0,0,0|1,0,0]=3 18543 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,2,0,0,0,0|2,0,0]=4 18544 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,2,0,0,0,0|0,0,0]=2 18545 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,2,0,0,0,0|1,0,0]=3 18546 B13R0.54 CCCOCCNCCCCC(C)C 2230a_100161115042_100011216152 [0,2,0,0,0,0|1,0,1]=4 18547 B13R0.54 CCCOCCNCCCCC(C)C 34a_100161115042_100011216152 [0,2,0,0,0,0|1,0,1]=4 18548 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,2,0,0,0,0|1,0,0]=3 18549 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,2,0,0,0,0|1,0,0]=3 18550 B13R0.54 CCCOCCNCCCOC(=S)C 2230a_100161115042_200135323944 [0,2,0,0,0,0|1,1,0]=4 18551 B13R0.54 CCCOCCNCCCOC(=S)C 34a_100161115042_200135323944 [0,2,0,0,0,0|1,1,0]=4 18552 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,2,0,0,0,0|1,0,0]=3 18553 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,2,0,0,0,0|1,0,0]=3 18554 B13R0.54 CCCOCCNCCOCC(=O)N 2230a_100161115042_100000076697 [0,2,0,0,0,0|2,0,0]=4 18555 B13R0.54 CCCOCCNCCOCC(=O)N 34a_100161115042_100000076697 [0,2,0,0,0,0|2,0,0]=4 18556 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,2,0,0,0,0|2,0,0]=4 18557 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,2,0,0,0,0|0,0,0]=2 18558 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,2,0,0,0,0|0,0,0]=2 18559 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,2,0,0,0,0|1,0,0]=3 18560 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,2,0,0,0,0|1,0,0]=3 18561 B13R0.54 CCCOCCOCCCCC(C)C 34a_100000752267_100011216152 [0,2,0,0,0,0|1,0,1]=4 18562 B13R0.54 CCCOCCOCCCCC(C)C 34a_100011214890_100011215938 [0,2,0,0,0,0|1,0,1]=4 18563 B13R0.54 CCCOCCOCCCCC(C)C 7a_100000752267_100011216152 [0,2,0,0,0,0|1,0,1]=4 18564 B13R0.54 CCCOCCOCCCCC(C)C 7a_100011214890_100011215938 [0,2,0,0,0,0|1,0,1]=4 18565 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215938 [0,2,0,0,0,0|2,0,0]=4 18566 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215938 [0,2,0,0,0,0|2,0,0]=4 18567 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,2,0,0,0,0|1,0,0]=3 18568 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,2,0,0,0,0|1,0,0]=3 18569 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,2,0,0,0,0|1,0,0]=3 18570 B13R0.54 CCCOCCOCCCOC(=S)C 34a_100000752267_200135323944 [0,2,0,0,0,0|1,1,0]=4 18571 B13R0.54 CCCOCCOCCCOC(=S)C 7a_100000752267_200135323944 [0,2,0,0,0,0|1,1,0]=4 18572 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,2,0,0,0,0|1,0,0]=3 18573 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,2,0,0,0,0|1,0,0]=3 18574 B13R0.54 CCCOCCOCCNCC(=O)N 2230a_200011904461_100000747473 [0,2,0,0,0,0|2,0,0]=4 18575 B13R0.54 CCCOCCOCCNCC(=O)N 34a_200011904461_100000187820 [0,2,0,0,0,0|2,0,0]=4 18576 B13R0.54 CCCOCCOCCNCC(=O)[O-] 34a_200011904461_100020667443 [0,2,0,0,0,0|2,0,0]=4 18577 B13R0.54 CCCOCCOCCOCC(=O)N 34a_100000752267_100000076697 [0,2,0,0,0,0|2,0,0]=4 18578 B13R0.54 CCCOCCOCCOCC(=O)N 7a_100000752267_100000076697 [0,2,0,0,0,0|2,0,0]=4 18579 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,2,0,0,0,0|0,0,0]=2 18580 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,2,0,0,0,0|0,0,0]=2 18581 B13R0.54 CCCOCCSCCCCC(C)C 62a_100011215938_100011216152 [0,2,0,0,0,0|1,0,1]=4 18582 B13R0.54 CCCOCCSCCCCC(C)C 62a_100011216152_100011215938 [0,2,0,0,0,0|1,0,1]=4 18583 B13R0.54 CCCOCCSCCCCN(C)C 62a_100011215938_100000690147 [0,2,0,0,0,0|2,0,0]=4 18584 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,2,0,0,0,0|1,0,0]=3 18585 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,2,0,0,0,0|1,0,0]=3 18586 B13R0.54 CCCOCCSCCCOC(=S)C 62a_100011215938_200135323944 [0,2,0,0,0,0|1,1,0]=4 18587 B13R0.54 CCCOCCSCCCOC(=S)C 62a_200135323944_100011215938 [0,2,0,0,0,0|1,1,0]=4 18588 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,2,0,0,0,0|1,0,0]=3 18589 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,2,0,0,0,0|1,0,0]=3 18590 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100000076697_100011215938 [0,2,0,0,0,0|2,0,0]=4 18591 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100011215938_100000076697 [0,2,0,0,0,0|2,0,0]=4 18592 B13R0.54 CCCSCCNCCCCC(C)C 2230a_100020603323_100011216152 [0,2,0,0,0,0|1,0,1]=4 18593 B13R0.54 CCCSCCNCCCOC(=S)C 2230a_100020603323_200135323944 [0,2,0,0,0,0|1,1,0]=4 18594 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,2,0,0,0,0|1,0,0]=3 18595 B13R0.54 CCCSCCNCCOCC(=O)N 2230a_100020603323_100000076697 [0,2,0,0,0,0|2,0,0]=4 18596 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,2,0,0,0,0|0,0,0]=2 18597 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,2,0,0,0,0|0,0,0]=2 18598 B13R0.54 CCCSCCOCCCCC(C)C 34a_200000230433_100011216152 [0,2,0,0,0,0|1,0,1]=4 18599 B13R0.54 CCCSCCOCCCCC(C)C 7a_200000230433_100011216152 [0,2,0,0,0,0|1,0,1]=4 18600 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,2,0,0,0,0|1,0,0]=3 18601 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,2,0,0,0,0|1,0,0]=3 18602 B13R0.54 CCCSCCOCCCOC(=S)C 34a_200000230433_200135323944 [0,2,0,0,0,0|1,1,0]=4 18603 B13R0.54 CCCSCCOCCCOC(=S)C 7a_200000230433_200135323944 [0,2,0,0,0,0|1,1,0]=4 18604 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,2,0,0,0,0|1,0,0]=3 18605 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,2,0,0,0,0|1,0,0]=3 18606 B13R0.54 CCCSCCOCCOCC(=O)N 34a_200000230433_100000076697 [0,2,0,0,0,0|2,0,0]=4 18607 B13R0.54 CCCSCCOCCOCC(=O)N 7a_200000230433_100000076697 [0,2,0,0,0,0|2,0,0]=4 18608 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,2,0,0,0,0|0,0,0]=2 18609 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,2,0,0,0,0|1,0,0]=3 18610 B13R0.54 CCOCCCNCCCCC(C)C 2230a_100000210961_100011216152 [0,2,0,0,0,0|1,0,1]=4 18611 B13R0.54 CCOCCCNCCCCC(C)C 34a_100000210961_100011216152 [0,2,0,0,0,0|1,0,1]=4 18612 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,2,0,0,0,0|1,0,0]=3 18613 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,2,0,0,0,0|1,0,0]=3 18614 B13R0.54 CCOCCCNCCCOC(=S)C 2230a_100000210961_200135323944 [0,2,0,0,0,0|1,1,0]=4 18615 B13R0.54 CCOCCCNCCCOC(=S)C 34a_100000210961_200135323944 [0,2,0,0,0,0|1,1,0]=4 18616 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,2,0,0,0,0|1,0,0]=3 18617 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,2,0,0,0,0|1,0,0]=3 18618 B13R0.54 CCOCCCNCCOCC(=O)N 2230a_100000210961_100000076697 [0,2,0,0,0,0|2,0,0]=4 18619 B13R0.54 CCOCCCNCCOCC(=O)N 34a_100000210961_100000076697 [0,2,0,0,0,0|2,0,0]=4 18620 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,2,0,0,0,0|2,0,0]=4 18621 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,2,0,0,0,0|0,0,0]=2 18622 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,2,0,0,0,0|0,0,0]=2 18623 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,2,0,0,0,0|1,0,0]=3 18624 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,2,0,0,0,0|1,0,0]=3 18625 B13R0.54 CCOCCCOCCCCC(C)C 34a_100000757476_100011216152 [0,2,0,0,0,0|1,0,1]=4 18626 B13R0.54 CCOCCCOCCCCC(C)C 34a_100011214890_100012232248 [0,2,0,0,0,0|1,0,1]=4 18627 B13R0.54 CCOCCCOCCCCC(C)C 7a_100000757476_100011216152 [0,2,0,0,0,0|1,0,1]=4 18628 B13R0.54 CCOCCCOCCCCC(C)C 7a_100011214890_100012232248 [0,2,0,0,0,0|1,0,1]=4 18629 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 34a_200015379883_100012232248 [0,2,0,0,0,0|2,0,0]=4 18630 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 7a_200015379883_100012232248 [0,2,0,0,0,0|2,0,0]=4 18631 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,2,0,0,0,0|1,0,0]=3 18632 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,2,0,0,0,0|1,0,0]=3 18633 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,2,0,0,0,0|1,0,0]=3 18634 B13R0.54 CCOCCCOCCCOC(=S)C 34a_100000757476_200135323944 [0,2,0,0,0,0|1,1,0]=4 18635 B13R0.54 CCOCCCOCCCOC(=S)C 7a_100000757476_200135323944 [0,2,0,0,0,0|1,1,0]=4 18636 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,2,0,0,0,0|1,0,0]=3 18637 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,2,0,0,0,0|1,0,0]=3 18638 B13R0.54 CCOCCCOCCOCC(=O)N 34a_100000757476_100000076697 [0,2,0,0,0,0|2,0,0]=4 18639 B13R0.54 CCOCCCOCCOCC(=O)N 7a_100000757476_100000076697 [0,2,0,0,0,0|2,0,0]=4 18640 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,2,0,0,0,0|0,0,0]=2 18641 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,2,0,0,0,0|0,0,0]=2 18642 B13R0.54 CCOCCCSCCCCC(C)C 62a_100011216152_100012232248 [0,2,0,0,0,0|1,0,1]=4 18643 B13R0.54 CCOCCCSCCCCC(C)C 62a_100012232248_100011216152 [0,2,0,0,0,0|1,0,1]=4 18644 B13R0.54 CCOCCCSCCCCN(C)C 62a_100012232248_100000690147 [0,2,0,0,0,0|2,0,0]=4 18645 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,2,0,0,0,0|1,0,0]=3 18646 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,2,0,0,0,0|1,0,0]=3 18647 B13R0.54 CCOCCCSCCCOC(=S)C 62a_100012232248_200135323944 [0,2,0,0,0,0|1,1,0]=4 18648 B13R0.54 CCOCCCSCCCOC(=S)C 62a_200135323944_100012232248 [0,2,0,0,0,0|1,1,0]=4 18649 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,2,0,0,0,0|1,0,0]=3 18650 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,2,0,0,0,0|1,0,0]=3 18651 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100000076697_100012232248 [0,2,0,0,0,0|2,0,0]=4 18652 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100012232248_100000076697 [0,2,0,0,0,0|2,0,0]=4 18653 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,2,0,0,0,0|1,0,0]=3 18654 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,2,0,0,0,0|1,0,0]=3 18655 B13R0.54 CCOCCNCCCCCC(C)C 2230a_100011290863_100011215890 [0,2,0,0,0,0|1,0,1]=4 18656 B13R0.54 CCOCCNCCCCCC(C)C 2230a_102516460346_100000210682 [0,2,0,0,0,0|1,0,1]=4 18657 B13R0.54 CCOCCNCCCCCC(C)C 34a_100011290863_100000210147 [0,2,0,0,0,0|1,0,1]=4 18658 B13R0.54 CCOCCNCCCCCC(C)C 34a_102516460346_100000210682 [0,2,0,0,0,0|1,0,1]=4 18659 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,2,0,0,0,0|1,0,0]=3 18660 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,2,0,0,0,0|1,0,0]=3 18661 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,2,0,0,0,0|1,0,0]=3 18662 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,2,0,0,0,0|1,0,0]=3 18663 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,2,0,0,0,0|1,0,0]=3 18664 B13R0.54 CCOCCNCOCCOC(=O)C 34a_102516460346_100000076355 [0,2,0,0,0,0|2,0,0]=4 18665 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,2,0,0,0,0|1,0,0]=3 18666 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,2,0,0,0,0|1,0,0]=3 18667 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,2,0,0,0,0|1,0,0]=3 18668 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,2,0,0,0,0|1,0,0]=3 18669 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,2,0,0,0,0|1,0,0]=3 18670 B13R0.54 CCOCCOCCCCCC(C)C 34a_100000210136_100000210682 [0,2,0,0,0,0|1,0,1]=4 18671 B13R0.54 CCOCCOCCCCCC(C)C 34a_100011995859_100000210147 [0,2,0,0,0,0|1,0,1]=4 18672 B13R0.54 CCOCCOCCCCCC(C)C 7a_100000210136_100000210682 [0,2,0,0,0,0|1,0,1]=4 18673 B13R0.54 CCOCCOCCCCCC(C)C 7a_100011995859_100011215890 [0,2,0,0,0,0|1,0,1]=4 18674 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,2,0,0,0,0|1,0,0]=3 18675 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,2,0,0,0,0|1,0,0]=3 18676 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,2,0,0,0,0|1,0,0]=3 18677 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,2,0,0,0,0|1,0,0]=3 18678 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,2,0,0,0,0|1,0,0]=3 18679 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,2,0,0,0,0|1,0,0]=3 18680 B13R0.54 CCOCCOCCNCCC(=O)N 2230a_100102712874_100000744528 [0,2,0,0,0,0|2,0,0]=4 18681 B13R0.54 CCOCCOCCNCCC(=O)N 34a_100102712874_100000731001 [0,2,0,0,0,0|2,0,0]=4 18682 B13R0.54 CCOCCOCCNCOC(=O)C 34a_100102712874_100009813279 [0,2,0,0,0,0|2,0,0]=4 18683 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,2,0,0,0,0|1,0,0]=3 18684 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,2,0,0,0,0|1,0,0]=3 18685 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,2,0,0,0,0|1,0,0]=3 18686 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000210240_100000731001 [0,2,0,0,0,0|2,0,0]=4 18687 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000757172_100011211534 [0,2,0,0,0,0|2,0,0]=4 18688 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000210240_100000744528 [0,2,0,0,0,0|2,0,0]=4 18689 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000757172_100011211534 [0,2,0,0,0,0|2,0,0]=4 18690 B13R0.54 CCOCCOCCOCOC(=O)C 34a_100000210240_100009813279 [0,2,0,0,0,0|2,0,0]=4 18691 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,2,0,0,0,0|1,0,0]=3 18692 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,2,0,0,0,0|1,0,0]=3 18693 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100000744528_100011211534 [0,2,0,0,0,0|2,0,0]=4 18694 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100011211534_100000744528 [0,2,0,0,0,0|2,0,0]=4 18695 B13R0.54 CCOCCOCCSCOC(=O)C 62a_100000076356_100011211534 [0,2,0,0,0,0|2,0,0]=4 18696 B13R0.54 CCOCCOCCSCOC(=O)C 62a_100011211534_100000076356 [0,2,0,0,0,0|2,0,0]=4 18697 B13R0.54 CCOCCOCOCCOC(=O)C 34a_100000210136_100000076355 [0,2,0,0,0,0|2,0,0]=4 18698 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,2,0,0,0,0|1,0,0]=3 18699 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,2,0,0,0,0|1,0,0]=3 18700 B13R0.54 CCOCCSCCCCCC(C)C 62a_100000210147_100000210682 [0,2,0,0,0,0|1,0,1]=4 18701 B13R0.54 CCOCCSCCCCCC(C)C 62a_100000210682_100011215890 [0,2,0,0,0,0|1,0,1]=4 18702 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,2,0,0,0,0|1,0,0]=3 18703 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,2,0,0,0,0|1,0,0]=3 18704 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,2,0,0,0,0|1,0,0]=3 18705 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,2,0,0,0,0|1,0,0]=3 18706 B13R0.54 CCOCCSCOCCOC(=O)C 62a_100000076355_100011215890 [0,2,0,0,0,0|2,0,0]=4 18707 B13R0.54 CCOCCSCOCCOC(=O)C 62a_100000210147_100000076355 [0,2,0,0,0,0|2,0,0]=4 18708 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,2,0,0,0,0|1,0,0]=3 18709 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,2,0,0,0,0|1,0,0]=3 18710 B13R0.54 CCOCSCCOCCOC(=O)C 62a_100000739092_200000083610 [0,2,0,0,0,0|2,0,0]=4 18711 B13R0.54 CCOCSCCOCCOC(=O)C 62a_200000083610_100000739092 [0,2,0,0,0,0|2,0,0]=4 18712 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,2,0,0,0,0|0,0,0]=2 18713 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,2,0,0,0,0|0,0,0]=2 18714 B13R0.54 CCSCCCOCCCCC(C)C 34a_100011216438_100011216152 [0,2,0,0,0,0|1,0,1]=4 18715 B13R0.54 CCSCCCOCCCCC(C)C 7a_100011216438_100011216152 [0,2,0,0,0,0|1,0,1]=4 18716 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,2,0,0,0,0|1,0,0]=3 18717 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,2,0,0,0,0|1,0,0]=3 18718 B13R0.54 CCSCCCOCCCOC(=S)C 34a_100011216438_200135323944 [0,2,0,0,0,0|1,1,0]=4 18719 B13R0.54 CCSCCCOCCCOC(=S)C 7a_100011216438_200135323944 [0,2,0,0,0,0|1,1,0]=4 18720 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,2,0,0,0,0|1,0,0]=3 18721 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,2,0,0,0,0|1,0,0]=3 18722 B13R0.54 CCSCCCOCCOCC(=O)N 34a_100011216438_100000076697 [0,2,0,0,0,0|2,0,0]=4 18723 B13R0.54 CCSCCCOCCOCC(=O)N 7a_100011216438_100000076697 [0,2,0,0,0,0|2,0,0]=4 18724 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,2,0,0,0,0|1,0,0]=3 18725 B13R0.54 CCSCCNCCCCCC(C)C 2230a_100000106463_100000210682 [0,2,0,0,0,0|1,0,1]=4 18726 B13R0.54 CCSCCNCCCCCC(C)C 2230a_100011290863_100000757381 [0,2,0,0,0,0|1,0,1]=4 18727 B13R0.54 CCSCCNCCCCCC(C)C 34a_100011290863_100000757381 [0,2,0,0,0,0|1,0,1]=4 18728 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,2,0,0,0,0|1,0,0]=3 18729 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,2,0,0,0,0|1,0,0]=3 18730 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,2,0,0,0,0|1,0,0]=3 18731 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,2,0,0,0,0|1,0,0]=3 18732 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,2,0,0,0,0|1,0,0]=3 18733 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,2,0,0,0,0|1,0,0]=3 18734 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,2,0,0,0,0|1,0,0]=3 18735 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,2,0,0,0,0|1,0,0]=3 18736 B13R0.54 CCSCCOCCCCCC(C)C 34a_100000212035_100000210682 [0,2,0,0,0,0|1,0,1]=4 18737 B13R0.54 CCSCCOCCCCCC(C)C 34a_100011995859_100000757381 [0,2,0,0,0,0|1,0,1]=4 18738 B13R0.54 CCSCCOCCCCCC(C)C 7a_100000212035_100000210682 [0,2,0,0,0,0|1,0,1]=4 18739 B13R0.54 CCSCCOCCCCCC(C)C 7a_100011995859_100000757381 [0,2,0,0,0,0|1,0,1]=4 18740 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,2,0,0,0,0|1,0,0]=3 18741 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,2,0,0,0,0|1,0,0]=3 18742 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,2,0,0,0,0|1,0,0]=3 18743 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,2,0,0,0,0|1,0,0]=3 18744 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,2,0,0,0,0|1,0,0]=3 18745 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,2,0,0,0,0|1,0,0]=3 18746 B13R0.54 CCSCCOCOCCOC(=O)C 34a_100000212035_100000076355 [0,2,0,0,0,0|2,0,0]=4 18747 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,2,0,0,0,0|1,0,0]=3 18748 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,2,0,0,0,0|1,0,0]=3 18749 B13R0.54 CCSCCSCCCCCC(C)C 62a_100000210682_100000757381 [0,2,0,0,0,0|1,0,1]=4 18750 B13R0.54 CCSCCSCCCCCC(C)C 62a_100000757381_100000210682 [0,2,0,0,0,0|1,0,1]=4 18751 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,2,0,0,0,0|1,0,0]=3 18752 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,2,0,0,0,0|1,0,0]=3 18753 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,2,0,0,0,0|1,0,0]=3 18754 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,2,0,0,0,0|1,0,0]=3 18755 B13R0.54 CCSCCSCOCCOC(=O)C 62a_100000076355_100000757381 [0,2,0,0,0,0|2,0,0]=4 18756 B13R0.54 CCSCCSCOCCOC(=O)C 62a_100000757381_100000076355 [0,2,0,0,0,0|2,0,0]=4 18757 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,2,0,0,0,0|2,0,0]=4 18758 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,2,0,0,0,0|2,0,0]=4 18759 B13R0.54 CN(C)CCCCSCCCCCF 62a_100000729378_100000690147 [0,2,0,0,0,0|2,0,0]=4 18760 B13R0.54 CN(C)CCCCSCCCCCO 62a_100000746330_100000690147 [0,2,0,0,0,0|2,0,0]=4 18761 B13R0.54 CN(C)CCCOCCCCCCBr 7a_100011215345_100000757444 [0,2,0,0,0,0|2,0,0]=4 18762 B13R0.54 CN(C)CCCOCCCCCCCl 7a_100000766143_100000757444 [0,2,0,0,0,0|2,0,0]=4 18763 B13R0.54 CN(C)CCCOCCCCCCF 7a_100000732779_100000757444 [0,2,0,0,0,0|2,0,0]=4 18764 B13R0.54 CN(C)CCCSCCCCCCF 62a_100015922095_100000757444 [0,2,0,0,0,0|2,0,0]=4 18765 B13R0.54 CN(C)CCCSCCCCCCO 62a_100000766143_100000757444 [0,2,0,0,0,0|2,0,0]=4 18766 B13R0.54 CN(C)CCOCCCCCCCBr 7a_100000760002_100000755713 [0,2,0,0,0,0|2,0,0]=4 18767 B13R0.54 CN(C)CCSCCCCCCCO 62a_100000760002_100000755713 [0,2,0,0,0,0|2,0,0]=4 18768 B13R0.54 CNCCCCCOCCC=C(C)C 34a_100000722520_100011217483 [0,2,0,0,0,0|1,0,1]=4 18769 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,2,0,0,0,0|0,0,0]=2 18770 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,2,0,0,0,0|1,0,0]=3 18771 B13R0.54 CNCCCCCOCCCC(C)C 34a_100000722520_100011214892 [0,2,0,0,0,0|1,0,1]=4 18772 B13R0.54 CNCCCCCOCCCC(C)O 34a_100000722520_200000718107 [0,2,0,0,0,0|0,0,2]=4 18773 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,2,0,0,0,0|1,0,0]=3 18774 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,2,0,0,0,0|2,0,0]=4 18775 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,2,0,0,0,0|1,0,0]=3 18776 B13R0.54 CNCCCOCCCCCC(C)C 34a_100000213112_100000210682 [0,2,0,0,0,0|1,0,1]=4 18777 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,2,0,0,0,0|1,0,0]=3 18778 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,2,0,0,0,0|1,0,0]=3 18779 B13R0.54 CNCCCOCOCCOC(=O)C 34a_100000213112_100000076355 [0,2,0,0,0,0|2,0,0]=4 18780 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,2,0,0,0,0|1,0,0]=3 18781 B13R0.54 CNCCOCCOCCCC(=O)N 34a_100000228057_100102525003 [0,2,0,0,0,0|2,0,0]=4 18782 B13R0.54 CNCCOCCOCCOC(=O)C 34a_100000228057_100009814007 [0,2,0,0,0,0|2,0,0]=4 18783 B13R0.54 COCCCCCCNCC=C(C)C 34a_100000718196_100011998445 [0,2,0,0,0,0|1,0,1]=4 18784 B13R0.54 COCCCCCCNCCC(C)O 2230a_200000755665_100011998445 [0,2,0,0,0,0|0,0,2]=4 18785 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,2,0,0,0,0|2,0,0]=4 18786 B13R0.54 COCCCCCCOCC=C(C)C 34a_100000753907_100011998445 [0,2,0,0,0,0|1,0,1]=4 18787 B13R0.54 COCCCCCCOCC=C(C)C 34a_200012092642_100000761012 [0,2,0,0,0,0|1,0,1]=4 18788 B13R0.54 COCCCCCCOCC=C(C)C 7a_200012092642_100000761012 [0,2,0,0,0,0|1,0,1]=4 18789 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,2,0,0,0,0|0,0,0]=2 18790 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,2,0,0,0,0|0,0,0]=2 18791 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,2,0,0,0,0|0,0,0]=2 18792 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,2,0,0,0,0|1,0,0]=3 18793 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,2,0,0,0,0|1,0,0]=3 18794 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,2,0,0,0,0|1,0,0]=3 18795 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,2,0,0,0,0|1,0,0]=3 18796 B13R0.54 COCCCCCCOCCC(C)Br 34a_100009893172_100011998445 [0,2,0,0,0,0|1,0,1]=4 18797 B13R0.54 COCCCCCCOCCC(C)C 34a_100000210254_100011998445 [0,2,0,0,0,0|1,0,1]=4 18798 B13R0.54 COCCCCCCOCCC(C)C 34a_200012092642_100000210312 [0,2,0,0,0,0|1,0,1]=4 18799 B13R0.54 COCCCCCCOCCC(C)C 7a_100000210254_100011998445 [0,2,0,0,0,0|1,0,1]=4 18800 B13R0.54 COCCCCCCOCCC(C)C 7a_200012092642_100000210626 [0,2,0,0,0,0|1,0,1]=4 18801 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,2,0,0,0,0|0,0,2]=4 18802 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,2,0,0,0,0|0,0,2]=4 18803 B13R0.54 COCCCCCCOCCN(C)C 7a_200012092642_100000755713 [0,2,0,0,0,0|2,0,0]=4 18804 B13R0.54 COCCCCCCOCC[C@@H](C)N 34a_100000706166_100011998445 [0,2,0,0,0,0|1,0,1]=4 18805 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,2,0,0,0,0|1,0,0]=3 18806 B13R0.54 COCCCCCCSCC=C(C)C 62a_100000761012_100011998445 [0,2,0,0,0,0|1,0,1]=4 18807 B13R0.54 COCCCCCCSCC=C(C)C 62a_100011998445_100000761012 [0,2,0,0,0,0|1,0,1]=4 18808 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,2,0,0,0,0|0,0,0]=2 18809 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,2,0,0,0,0|0,0,0]=2 18810 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,2,0,0,0,0|1,0,0]=3 18811 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,2,0,0,0,0|1,0,0]=3 18812 B13R0.54 COCCCCCCSCCC(C)C 62a_100000210312_100011998445 [0,2,0,0,0,0|1,0,1]=4 18813 B13R0.54 COCCCCCCSCCC(C)C 62a_100011998445_100000210312 [0,2,0,0,0,0|1,0,1]=4 18814 B13R0.54 COCCCCCCSCCC(C)O 62a_100011998445_100012276601 [0,2,0,0,0,0|0,0,2]=4 18815 B13R0.54 COCCCCCCSCCC(C)O 62a_100012276601_100011998445 [0,2,0,0,0,0|0,0,2]=4 18816 B13R0.54 COCCCCCCSCCN(C)C 62a_100011998445_100000755713 [0,2,0,0,0,0|2,0,0]=4 18817 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,2,0,0,0,0|1,0,0]=3 18818 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,2,0,0,0,0|1,0,0]=3 18819 B13R0.54 COCCCCCNCCC=C(C)C 2230a_100000747528_100011217483 [0,2,0,0,0,0|1,0,1]=4 18820 B13R0.54 COCCCCCNCCC=C(C)C 34a_100000747528_100011217483 [0,2,0,0,0,0|1,0,1]=4 18821 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,2,0,0,0,0|0,0,0]=2 18822 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,2,0,0,0,0|1,0,0]=3 18823 B13R0.54 COCCCCCNCCCC(C)C 2230a_100000747528_100011214892 [0,2,0,0,0,0|1,0,1]=4 18824 B13R0.54 COCCCCCNCCCC(C)C 34a_100000747528_100011214892 [0,2,0,0,0,0|1,0,1]=4 18825 B13R0.54 COCCCCCNCCCC(C)O 2230a_100000747528_200000718107 [0,2,0,0,0,0|0,0,2]=4 18826 B13R0.54 COCCCCCNCCCC(C)O 34a_100000747528_200000718107 [0,2,0,0,0,0|0,0,2]=4 18827 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,2,0,0,0,0|1,0,0]=3 18828 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,2,0,0,0,0|2,0,0]=4 18829 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,2,0,0,0,0|1,0,0]=3 18830 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,2,0,0,0,0|2,0,0]=4 18831 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,2,0,0,0,0|1,0,0]=3 18832 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,2,0,0,0,0|1,0,0]=3 18833 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,2,0,0,0,0|2,0,0]=4 18834 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,2,0,0,0,0|0,0,0]=2 18835 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,2,0,0,0,0|1,0,0]=3 18836 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,2,0,0,0,0|1,0,0]=3 18837 B13R0.54 COCCCCOCCCCC(C)C 34a_100000740925_100011216152 [0,2,0,0,0,0|1,0,1]=4 18838 B13R0.54 COCCCCOCCCCC(C)C 34a_100011214890_100000755781 [0,2,0,0,0,0|1,0,1]=4 18839 B13R0.54 COCCCCOCCCCC(C)C 7a_100011214890_100000730899 [0,2,0,0,0,0|1,0,1]=4 18840 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000755781 [0,2,0,0,0,0|2,0,0]=4 18841 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000730899 [0,2,0,0,0,0|2,0,0]=4 18842 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,2,0,0,0,0|1,0,0]=3 18843 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,2,0,0,0,0|1,0,0]=3 18844 B13R0.54 COCCCCOCCCOC(=S)C 34a_100000740925_200135323944 [0,2,0,0,0,0|1,1,0]=4 18845 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,2,0,0,0,0|1,0,0]=3 18846 B13R0.54 COCCCCOCCOCC(=O)N 34a_100000740925_100000076697 [0,2,0,0,0,0|2,0,0]=4 18847 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,2,0,0,0,0|0,0,0]=2 18848 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,2,0,0,0,0|0,0,0]=2 18849 B13R0.54 COCCCCSCCCCC(C)C 62a_100000730899_100011216152 [0,2,0,0,0,0|1,0,1]=4 18850 B13R0.54 COCCCCSCCCCC(C)C 62a_100011216152_100000730899 [0,2,0,0,0,0|1,0,1]=4 18851 B13R0.54 COCCCCSCCCCN(C)C 62a_100000730899_100000690147 [0,2,0,0,0,0|2,0,0]=4 18852 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,2,0,0,0,0|1,0,0]=3 18853 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,2,0,0,0,0|1,0,0]=3 18854 B13R0.54 COCCCCSCCCOC(=S)C 62a_100000730899_200135323944 [0,2,0,0,0,0|1,1,0]=4 18855 B13R0.54 COCCCCSCCCOC(=S)C 62a_200135323944_100000730899 [0,2,0,0,0,0|1,1,0]=4 18856 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,2,0,0,0,0|1,0,0]=3 18857 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,2,0,0,0,0|1,0,0]=3 18858 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000076697_100000730899 [0,2,0,0,0,0|2,0,0]=4 18859 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000730899_100000076697 [0,2,0,0,0,0|2,0,0]=4 18860 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,2,0,0,0,0|1,0,0]=3 18861 B13R0.54 COCCCNCCCCCC(C)C 2230a_100011290863_100000740836 [0,2,0,0,0,0|1,0,1]=4 18862 B13R0.54 COCCCNCCCCCC(C)C 34a_100011290863_100000740836 [0,2,0,0,0,0|1,0,1]=4 18863 B13R0.54 COCCCNCCCCCC(C)C 34a_100150723488_100000210682 [0,2,0,0,0,0|1,0,1]=4 18864 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,2,0,0,0,0|1,0,0]=3 18865 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,2,0,0,0,0|1,0,0]=3 18866 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,2,0,0,0,0|1,0,0]=3 18867 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,2,0,0,0,0|1,0,0]=3 18868 B13R0.54 COCCCNCOCCOC(=O)C 34a_100150723488_100000076355 [0,2,0,0,0,0|2,0,0]=4 18869 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,2,0,0,0,0|1,0,0]=3 18870 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,2,0,0,0,0|1,0,0]=3 18871 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,2,0,0,0,0|1,0,0]=3 18872 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,2,0,0,0,0|1,0,0]=3 18873 B13R0.54 COCCCOCCCCCC(C)C 34a_100000740835_100000210682 [0,2,0,0,0,0|1,0,1]=4 18874 B13R0.54 COCCCOCCCCCC(C)C 34a_100011995859_100000740836 [0,2,0,0,0,0|1,0,1]=4 18875 B13R0.54 COCCCOCCCCCC(C)C 7a_100011995859_100000740836 [0,2,0,0,0,0|1,0,1]=4 18876 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,2,0,0,0,0|1,0,0]=3 18877 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,2,0,0,0,0|1,0,0]=3 18878 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,2,0,0,0,0|1,0,0]=3 18879 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,2,0,0,0,0|1,0,0]=3 18880 B13R0.54 COCCCOCCCOCC(=O)N 34a_200011215475_100000187820 [0,2,0,0,0,0|2,0,0]=4 18881 B13R0.54 COCCCOCCCOCC(=O)N 7a_200011215475_100000187820 [0,2,0,0,0,0|2,0,0]=4 18882 B13R0.54 COCCCOCCCOCC(=O)[O-] 34a_200011215475_100020667443 [0,2,0,0,0,0|2,0,0]=4 18883 B13R0.54 COCCCOCOCCOC(=O)C 34a_100000740835_100000076355 [0,2,0,0,0,0|2,0,0]=4 18884 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,2,0,0,0,0|1,0,0]=3 18885 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,2,0,0,0,0|1,0,0]=3 18886 B13R0.54 COCCCSCCCCCC(C)C 62a_100000210682_100000709357 [0,2,0,0,0,0|1,0,1]=4 18887 B13R0.54 COCCCSCCCCCC(C)C 62a_100000709357_100000210682 [0,2,0,0,0,0|1,0,1]=4 18888 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,2,0,0,0,0|1,0,0]=3 18889 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,2,0,0,0,0|1,0,0]=3 18890 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,2,0,0,0,0|1,0,0]=3 18891 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,2,0,0,0,0|1,0,0]=3 18892 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000076355_100000709357 [0,2,0,0,0,0|2,0,0]=4 18893 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000709357_100000076355 [0,2,0,0,0,0|2,0,0]=4 18894 B13R0.54 COCCNCCCCCCC(C)C 2230a_100000211014_100011201679 [0,2,0,0,0,0|1,0,1]=4 18895 B13R0.54 COCCNCCCCCCC(C)C 34a_100000211014_100011201679 [0,2,0,0,0,0|1,0,1]=4 18896 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,2,0,0,0,0|1,0,0]=3 18897 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,2,0,0,0,0|1,0,0]=3 18898 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,2,0,0,0,0|1,0,0]=3 18899 B13R0.54 COCCNCCOCCOC(=O)C 2230a_100000209980_200000083610 [0,2,0,0,0,0|2,0,0]=4 18900 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,2,0,0,0,0|1,0,0]=3 18901 B13R0.54 COCCOCCCNCCC(=O)N 2230a_100000206027_100000744528 [0,2,0,0,0,0|2,0,0]=4 18902 B13R0.54 COCCOCCCNCCC(=O)N 34a_100000206027_100000731001 [0,2,0,0,0,0|2,0,0]=4 18903 B13R0.54 COCCOCCCNCOC(=O)C 34a_100000206027_100009813279 [0,2,0,0,0,0|2,0,0]=4 18904 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,2,0,0,0,0|1,0,0]=3 18905 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,2,0,0,0,0|1,0,0]=3 18906 B13R0.54 COCCOCCCOCCC(=O)N 34a_100000757172_100011216529 [0,2,0,0,0,0|2,0,0]=4 18907 B13R0.54 COCCOCCCOCCC(=O)N 7a_100000757172_100011216529 [0,2,0,0,0,0|2,0,0]=4 18908 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,2,0,0,0,0|1,0,0]=3 18909 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,2,0,0,0,0|1,0,0]=3 18910 B13R0.54 COCCOCCCSCCC(=O)N 62a_100000744528_100011216529 [0,2,0,0,0,0|2,0,0]=4 18911 B13R0.54 COCCOCCCSCCC(=O)N 62a_100011216529_100000744528 [0,2,0,0,0,0|2,0,0]=4 18912 B13R0.54 COCCOCCCSCOC(=O)C 62a_100000076356_100011216529 [0,2,0,0,0,0|2,0,0]=4 18913 B13R0.54 COCCOCCCSCOC(=O)C 62a_100011216529_100000076356 [0,2,0,0,0,0|2,0,0]=4 18914 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,2,0,0,0,0|1,0,0]=3 18915 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000739312_100000695917 [0,2,0,0,0,0|2,0,0]=4 18916 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000745349_100102525003 [0,2,0,0,0,0|2,0,0]=4 18917 B13R0.54 COCCOCCNCCCS(=O)C 2230a_200000753449_100000695917 [0,2,0,0,0,0|2,0,0]=4 18918 B13R0.54 COCCOCCNCCNC(=O)C 2230a_100000209853_100000695917 [0,2,0,0,0,0|2,0,0]=4 18919 B13R0.54 COCCOCCNCCNC(=O)C 2230a_100000745349_100000189650 [0,2,0,0,0,0|2,0,0]=4 18920 B13R0.54 COCCOCCNCCOC(=O)C 34a_100000745349_100009814007 [0,2,0,0,0,0|2,0,0]=4 18921 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,2,0,0,0,0|1,0,0]=3 18922 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,2,0,0,0,0|1,0,0]=3 18923 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,2,0,0,0,0|1,0,0]=3 18924 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,2,0,0,0,0|1,0,0]=3 18925 B13R0.54 COCCOCCOCCCC(=O)N 34a_100011215163_100102525003 [0,2,0,0,0,0|2,0,0]=4 18926 B13R0.54 COCCOCCOCCCC(=O)N 7a_100011215163_100102525003 [0,2,0,0,0,0|2,0,0]=4 18927 B13R0.54 COCCOCCOCCNC(=O)C 1626a_100012028300_100015343762 [0,2,0,0,0,0|2,0,0]=4 18928 B13R0.54 COCCOCCOCCNC(=O)C 240690a_100012028300_100015343762 [0,2,0,0,0,0|2,0,0]=4 18929 B13R0.54 COCCOCCOCCNC(=O)C 34a_100000158858_100000695917 [0,2,0,0,0,0|2,0,0]=4 18930 B13R0.54 COCCOCCOCCNC(=O)C 7a_100011215163_100000189650 [0,2,0,0,0,0|2,0,0]=4 18931 B13R0.54 COCCOCCOCCOC(=O)C 34a_100000210237_200000083610 [0,2,0,0,0,0|2,0,0]=4 18932 B13R0.54 COCCOCCOCCOC(=O)C 34a_100011215163_100009814007 [0,2,0,0,0,0|2,0,0]=4 18933 B13R0.54 COCCOCCOCCOC(=O)C 7a_100011215163_100009814007 [0,2,0,0,0,0|2,0,0]=4 18934 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,2,0,0,0,0|1,0,0]=3 18935 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,2,0,0,0,0|1,0,0]=3 18936 B13R0.54 COCCOCCSCCCC(=O)N 62a_100000695917_100102525003 [0,2,0,0,0,0|2,0,0]=4 18937 B13R0.54 COCCOCCSCCCC(=O)N 62a_100102525003_100000695917 [0,2,0,0,0,0|2,0,0]=4 18938 B13R0.54 COCCOCCSCCNC(=O)C 62a_100000189650_100000695917 [0,2,0,0,0,0|2,0,0]=4 18939 B13R0.54 COCCOCCSCCNC(=O)C 62a_100000695917_100000189650 [0,2,0,0,0,0|2,0,0]=4 18940 B13R0.54 COCCOCCSCCOC(=O)C 62a_100000695917_100009814007 [0,2,0,0,0,0|2,0,0]=4 18941 B13R0.54 COCCOCCSCCOC(=O)C 62a_100009814007_100000695917 [0,2,0,0,0,0|2,0,0]=4 18942 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,2,0,0,0,0|1,0,0]=3 18943 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,2,0,0,0,0|1,0,0]=3 18944 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000042594_100000231047 [0,2,0,0,0,0|2,0,0]=4 18945 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000231047_100000042594 [0,2,0,0,0,0|2,0,0]=4 18946 B13R0.54 COCCOCSCCCSC(=O)C 62a_100000038929_100000231047 [0,2,0,0,0,0|2,0,0]=4 18947 B13R0.54 COCCOCSCCCSC(=O)C 62a_100000231047_100000038929 [0,2,0,0,0,0|2,0,0]=4 18948 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,2,0,0,0,0|1,0,0]=3 18949 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,2,0,0,0,0|1,0,0]=3 18950 B13R0.54 COCCSCCOCCOC(=O)C 62a_100000233755_200000083610 [0,2,0,0,0,0|2,0,0]=4 18951 B13R0.54 COCCSCCOCCOC(=O)C 62a_200000083610_100000233755 [0,2,0,0,0,0|2,0,0]=4 18952 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,2,0,0,0,0|1,0,0]=3 18953 B13R0.54 CS(=O)CCCNCCCCCC#N 2230a_200000753449_100009813376 [0,2,0,0,0,0|1,0,1]=4 18954 B13R0.54 CS(=O)CCCNCCCCCC=O 2230a_200000753449_100000139337 [0,2,0,0,0,0|1,0,1]=4 18955 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,2,0,0,0,0|1,0,0]=3 18956 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,2,0,0,0,0|1,0,0]=3 18957 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,2,0,0,0,0|0,0,0]=2 18958 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,2,0,0,0,0|0,0,0]=2 18959 B13R0.54 CSCCCCOCCCCC(C)C 34a_100011217163_100011216152 [0,2,0,0,0,0|1,0,1]=4 18960 B13R0.54 CSCCCCOCCCCC(C)C 7a_100011217163_100011216152 [0,2,0,0,0,0|1,0,1]=4 18961 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,2,0,0,0,0|1,0,0]=3 18962 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,2,0,0,0,0|1,0,0]=3 18963 B13R0.54 CSCCCCOCCCOC(=S)C 34a_100011217163_200135323944 [0,2,0,0,0,0|1,1,0]=4 18964 B13R0.54 CSCCCCOCCCOC(=S)C 7a_100011217163_200135323944 [0,2,0,0,0,0|1,1,0]=4 18965 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,2,0,0,0,0|1,0,0]=3 18966 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,2,0,0,0,0|1,0,0]=3 18967 B13R0.54 CSCCCCOCCOCC(=O)N 34a_100011217163_100000076697 [0,2,0,0,0,0|2,0,0]=4 18968 B13R0.54 CSCCCCOCCOCC(=O)N 7a_100011217163_100000076697 [0,2,0,0,0,0|2,0,0]=4 18969 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,2,0,0,0,0|1,0,0]=3 18970 B13R0.54 CSCCCNCCCCCC(C)C 2230a_100000749238_100000210682 [0,2,0,0,0,0|1,0,1]=4 18971 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,2,0,0,0,0|1,0,0]=3 18972 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,2,0,0,0,0|1,0,0]=3 18973 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,2,0,0,0,0|1,0,0]=3 18974 B13R0.54 CSCCCOCCCCCC(C)C 34a_100000690336_100000210682 [0,2,0,0,0,0|1,0,1]=4 18975 B13R0.54 CSCCCOCCCCCC(C)C 7a_100000690336_100000210682 [0,2,0,0,0,0|1,0,1]=4 18976 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,2,0,0,0,0|1,0,0]=3 18977 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,2,0,0,0,0|1,0,0]=3 18978 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,2,0,0,0,0|1,0,0]=3 18979 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,2,0,0,0,0|1,0,0]=3 18980 B13R0.54 CSCCCOCOCCOC(=O)C 34a_100000690336_100000076355 [0,2,0,0,0,0|2,0,0]=4 18981 B13R0.54 CSCCNCCCCCCC(C)C 2230a_100000211014_100000751147 [0,2,0,0,0,0|1,0,1]=4 18982 B13R0.54 CSCCNCCCCCCC(C)C 34a_100000211014_100000212216 [0,2,0,0,0,0|1,0,1]=4 18983 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,2,0,0,0,0|1,0,0]=3 18984 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,2,0,0,0,0|1,0,0]=3 18985 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,2,0,0,0,0|1,0,0]=3 18986 B13R0.54 CSCCNCCOCCOC(=O)C 2230a_100020590264_200000083610 [0,2,0,0,0,0|2,0,0]=4 18987 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,2,0,0,0,0|1,0,0]=3 18988 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,2,0,0,0,0|1,0,0]=3 18989 B13R0.54 CSCCOCCOCCOC(=O)C 34a_100000230434_200000083610 [0,2,0,0,0,0|2,0,0]=4 18990 B13R0.54 CSCCOCCOCCOC(=O)C 7a_100000230434_200000083610 [0,2,0,0,0,0|2,0,0]=4 18991 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,2,0,0,0,0|1,0,0]=3 18992 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,2,0,0,0,0|1,0,0]=3 18993 B13R0.54 CSCCSCCOCCOC(=O)C 62a_100000212216_200000083610 [0,2,0,0,0,0|2,0,0]=4 18994 B13R0.54 CSCCSCCOCCOC(=O)C 62a_200000083610_100000751147 [0,2,0,0,0,0|2,0,0]=4 18995 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,2,0,0,0,0|1,0,0]=3 18996 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,2,0,0,0,0|1,0,0]=3 18997 B13R0.54 CSCOCCCCCCCC(C)C 34a_200000210741_100011218213 [0,2,0,0,0,0|1,0,1]=4 18998 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [0,2,0,0,0,0|1,0,1]=4 18999 B13R0.54 C[C@@H](N)CCOCCCCCCCO 34a_100000706166_100000760002 [0,2,0,0,0,0|1,0,1]=4 19000 B13R0.54 C[C@@H](N)COCCCCCCCCO 34a_100000737577_100000033203 [0,2,0,0,0,0|1,0,1]=4 19001 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 19002 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 19003 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,2,0,0,0,0|0,0,2]=4 19004 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,2,0,0,0,0|0,0,2]=4 19005 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,2,0,0,0,0|0,0,2]=4 19006 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,2,0,0,0,0|0,0,2]=4 19007 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 19008 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,2,0,0,0,0|0,0,2]=4 19009 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,2,0,0,0,0|0,0,2]=4 19010 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,2,0,0,0,0|1,0,1]=4 19011 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,2,0,0,0,0|1,0,1]=4 19012 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,2,0,0,0,0|1,0,1]=4 19013 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,2,0,0,0,0|1,0,1]=4 19014 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,2,0,0,0,0|1,0,1]=4 19015 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,2,0,0,0,0|1,0,1]=4 19016 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,2,0,0,0,0|1,0,1]=4 19017 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,2,0,0,0,0|1,0,1]=4 19018 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,2,0,0,0,0|1,0,1]=4 19019 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,2,0,0,0,0|1,0,1]=4 19020 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 19021 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 19022 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,2,0,0,0,0|1,0,1]=4 19023 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,2,0,0,0,0|1,0,0]=3 19024 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 19025 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 19026 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,2,0,0,0,0|1,0,0]=3 19027 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,2,0,0,0,0|1,0,0]=3 19028 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,2,0,0,0,0|1,0,0]=3 19029 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,2,0,0,0,0|1,0,0]=3 19030 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,2,0,0,0,0|1,0,0]=3 19031 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,2,0,0,0,0|1,0,0]=3 19032 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,2,0,0,0,0|1,0,0]=3 19033 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,2,0,0,0,0|1,0,1]=4 19034 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,2,0,0,0,0|1,0,1]=4 19035 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,2,0,0,0,0|1,0,0]=3 19036 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,2,0,0,0,0|1,0,0]=3 19037 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 19038 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,2,0,0,0,0|1,0,0]=3 19039 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,2,0,0,0,0|1,0,0]=3 19040 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,2,0,0,0,0|1,0,0]=3 19041 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [0,2,0,0,0,0|2,0,0]=4 19042 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,2,0,0,0,0|1,0,1]=4 19043 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,2,0,0,0,0|1,0,0]=3 19044 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,2,0,0,0,0|1,0,0]=3 19045 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,2,0,0,0,0|1,0,0]=3 19046 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,2,0,0,0,0|1,0,0]=3 19047 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [0,2,0,0,0,0|2,0,0]=4 19048 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [0,2,0,0,0,0|2,0,0]=4 19049 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,2,0,0,0,0|1,0,0]=3 19050 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,0]=3 19051 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,2,0,0,0,0|1,0,0]=3 19052 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,2,0,0,0,0|1,0,0]=3 19053 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,2,0,0,0,0|1,0,0]=3 19054 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 19055 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 19056 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,2,0,0,0,0|1,0,0]=3 19057 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,2,0,0,0,0|1,0,0]=3 19058 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,2,0,0,0,0|1,0,1]=4 19059 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,2,0,0,0,0|1,0,1]=4 19060 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,2,0,0,0,0|1,0,0]=3 19061 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,2,0,0,0,0|1,0,0]=3 19062 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 19063 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,2,0,0,0,0|1,0,0]=3 19064 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,2,0,0,0,0|1,0,0]=3 19065 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,0]=3 19066 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [0,2,0,0,0,0|2,0,0]=4 19067 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [0,2,0,0,0,0|2,0,0]=4 19068 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,2,0,0,0,0|1,0,0]=3 19069 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,2,0,0,0,0|1,0,0]=3 19070 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,2,0,0,0,0|1,0,0]=3 19071 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,2,0,0,0,0|1,0,0]=3 19072 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,2,0,0,0,0|1,0,0]=3 19073 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,2,0,0,0,0|1,0,0]=3 19074 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,2,0,0,0,0|1,0,0]=3 19075 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,2,0,0,0,0|1,0,0]=3 19076 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,0]=3 19077 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,2,0,0,0,0|1,0,0]=3 19078 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,2,0,0,0,0|1,0,0]=3 19079 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,2,0,0,0,0|1,0,0]=3 19080 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,2,0,0,0,0|1,0,0]=3 19081 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 19082 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 19083 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [0,2,0,0,0,0|2,0,0]=4 19084 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [0,2,0,0,0,0|2,0,0]=4 19085 B13R0.54 NC(=O)COCCOCCCCCCl 34a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 19086 B13R0.54 NC(=O)COCCOCCCCCCl 7a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 19087 B13R0.54 NC(=O)COCCOCCCCCI 34a_200012148887_100000076697 [0,2,0,0,0,0|2,0,0]=4 19088 B13R0.54 NC(=O)COCCOCCCCCI 7a_200012148887_100000076697 [0,2,0,0,0,0|2,0,0]=4 19089 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000076697_100000729378 [0,2,0,0,0,0|2,0,0]=4 19090 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000729378_100000076697 [0,2,0,0,0,0|2,0,0]=4 19091 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,2,0,0,0,0|2,0,0]=4 19092 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 19093 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,2,0,0,0,0|1,0,0]=3 19094 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,2,0,0,0,0|1,0,0]=3 19095 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,2,0,0,0,0|2,0,0]=4 19096 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,2,0,0,0,0|2,0,0]=4 19097 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,2,0,0,0,0|2,0,0]=4 19098 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,2,0,0,0,0|2,0,0]=4 19099 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 19100 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,2,0,0,0,0|2,0,0]=4 19101 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,2,0,0,0,0|2,0,0]=4 19102 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,2,0,0,0,0|2,0,0]=4 19103 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,2,0,0,0,0|2,0,0]=4 19104 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,2,0,0,0,0|2,0,0]=4 19105 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 19106 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,2,0,0,0,0|2,0,0]=4 19107 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,2,0,0,0,0|2,0,0]=4 19108 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,2,0,0,0,0|2,0,0]=4 19109 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,2,0,0,0,0|2,0,0]=4 19110 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 19111 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 19112 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,2,0,0,0,0|2,0,0]=4 19113 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,2,0,0,0,0|2,0,0]=4 19114 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,2,0,0,0,0|2,0,0]=4 19115 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,2,0,0,0,0|2,0,0]=4 19116 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,2,0,0,0,0|2,0,0]=4 19117 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,2,0,0,0,0|2,0,0]=4 19118 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 19119 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,2,0,0,0,0|2,0,0]=4 19120 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,0]=3 19121 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,0]=3 19122 B13R0.54 NCCCCCCCCOC[N+](=O)[O-] 34a_102515433106_100000761209 [0,2,0,0,0,0|2,0,0]=4 19123 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,0]=3 19124 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,0]=3 19125 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,2,0,0,0,0|2,0,0]=4 19126 B13R0.54 NCCCCCOCCOCC(=O)N 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 19127 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 19128 B13R0.54 NCCCOCCCOCCC(=O)N 34a_100011310245_100000731001 [0,2,0,0,0,0|2,0,0]=4 19129 B13R0.54 NCCNCCCCCOCC(=O)N 34a_103619048469_100000187820 [0,2,0,0,0,0|2,0,0]=4 19130 B13R0.54 NCCNCCCCCOCC(=O)[O-] 34a_103619048469_100020667443 [0,2,0,0,0,0|2,0,0]=4 19131 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|1,0,0]=3 19132 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,2,0,0,0,0|2,0,0]=4 19133 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,2,0,0,0,0|2,0,0]=4 19134 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,2,0,0,0,0|2,0,0]=4 19135 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,2,0,0,0,0|1,0,0]=3 19136 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,2,0,0,0,0|1,0,0]=3 19137 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,0]=3 19138 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,2,0,0,0,0|1,0,0]=3 19139 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,2,0,0,0,0|1,0,0]=3 19140 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,2,0,0,0,0|1,0,0]=3 19141 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,2,0,0,0,0|1,0,0]=3 19142 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,2,0,0,0,0|1,0,1]=4 19143 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 34a_200015379883_100000729378 [0,2,0,0,0,0|2,0,0]=4 19144 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 7a_200015379883_100000729378 [0,2,0,0,0,0|2,0,0]=4 19145 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,2,0,0,0,0|2,0,0]=4 19146 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,2,0,0,0,0|2,0,0]=4 19147 B13R0.54 O=[N+]([O-])CCCOCCCCCCF 34a_200000037920_100015922095 [0,2,0,0,0,0|2,0,0]=4 19148 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,2,0,0,0,0|2,0,0]=4 19149 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,2,0,0,0,0|2,0,0]=4 19150 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [0,2,0,0,0,0|2,0,0]=4 19151 B13R0.54 O=[N+]([O-])COCCCCCCCCCl 34a_100000033203_100000761209 [0,2,0,0,0,0|2,0,0]=4 19152 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,2,0,0,0,0|2,0,0]=4 19153 B13R0.54 [13CH3]C(=O)COCCOCCOCCO 1458a_100010423381_200025704644 [0,2,0,0,0,0|2,0,0]=4 19154 B13R0.119 C=CCCC(C)OCCCCC(=O)C 34a_100000765329_100009817362 [0,2,0,0,0,0|0,0,2]=4 19155 B13R0.119 C=CCCC(C)OCCCCC(=O)C 7a_100000765329_100000735457 [0,2,0,0,0,0|0,0,2]=4 19156 B13R0.119 CC(=O)CCCCOC(C)CCCCl 34a_200000718107_100009817362 [0,2,0,0,0,0|1,0,0]=3 19157 B13R0.119 CC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000735457 [0,2,0,0,0,0|1,0,0]=3 19158 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000685027 [0,2,0,0,0,0|1,0,0]=3 19159 B13R0.119 CC(=O)NCCNC[C@H](C)CCCO 2230a_100160569302_100000189650 [0,2,0,0,0,0|2,0,0]=4 19160 B13R0.119 CC(=O)OCCCCN(C)CCCO 269982a_100000213112_100000033659 [0,2,0,0,0,0|2,0,0]=4 19161 B13R0.119 CC(=O)OCCCOC(C)CCCCl 34a_200000718107_100000042594 [0,2,0,0,0,0|2,0,0]=4 19162 B13R0.119 CC(=O)OCCCOC(C)CCCCl 7a_200000718107_100000042594 [0,2,0,0,0,0|2,0,0]=4 19163 B13R0.119 CC(=O)OCCNC[C@H](C)CCCO 34a_100160569302_100009814007 [0,2,0,0,0,0|2,0,0]=4 19164 B13R0.119 CC(=O)SCCCCN(C)CCCO 2230a_100000213112_200010402107 [0,2,0,0,0,0|2,0,0]=4 19165 B13R0.119 CC(=O)SCCCCN(C)CCCO 269982a_100000213112_200010402107 [0,2,0,0,0,0|2,0,0]=4 19166 B13R0.119 CC(=O)SCCCOC(C)CCCCl 34a_200000718107_100000038929 [0,2,0,0,0,0|2,0,0]=4 19167 B13R0.119 CC(=O)SCCCOC(C)CCCCl 7a_200000718107_100000038929 [0,2,0,0,0,0|2,0,0]=4 19168 B13R0.119 CCC#CC(C)OCCCCC(=O)C 34a_100000033903_100009817362 [0,2,0,0,0,0|0,0,2]=4 19169 B13R0.119 CCC#CC(C)OCCCCC(=O)C 7a_100000033903_100000735457 [0,2,0,0,0,0|0,0,2]=4 19170 B13R0.119 CCCCC(=O)CCCCCC(=O)N 1458a_100000210183_100009817443 [0,2,0,0,0,0|1,0,0]=3 19171 B13R0.119 CCCCC(=O)CCCCCC(C)C 1458a_100000210183_100000210682 [0,2,0,0,0,0|1,0,1]=4 19172 B13R0.119 CCCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210211 [0,2,0,0,0,0|1,0,1]=4 19173 B13R0.119 CCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210211 [0,2,0,0,0,0|2,0,0]=4 19174 B13R0.119 CCCCC(=O)CCCCOC(=O)C 1458a_100000210183_100000033659 [0,2,0,0,0,0|0,0,1]=3 19175 B13R0.119 CCCCC(=O)CCCCSC(=O)C 1458a_100000210183_200010402107 [0,2,0,0,0,0|0,0,1]=3 19176 B13R0.119 CCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 19177 B13R0.119 CCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 19178 B13R0.119 CCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 19179 B13R0.119 CCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 19180 B13R0.119 CCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000210183 [0,2,0,0,0,0|1,0,1]=4 19181 B13R0.119 CCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210183 [0,2,0,0,0,0|1,0,1]=4 19182 B13R0.119 CCCCC(=O)NCCCNC(=O)C 527a_100000736810_100000210183 [0,2,0,0,0,0|1,0,1]=4 19183 B13R0.119 CCCCC(C)CCCCOC(C)C 34a_200011021034_100000210206 [0,2,0,0,0,0|1,0,1]=4 19184 B13R0.119 CCCCC(C)CCCCOC(C)C 7a_200011021034_100000210206 [0,2,0,0,0,0|1,0,1]=4 19185 B13R0.119 CCCCC(C)COCCC=C(C)C 34a_100011995851_100011217483 [0,2,0,0,0,0|1,0,1]=4 19186 B13R0.119 CCCCC(C)COCCC=C(C)C 7a_100011995851_100011217483 [0,2,0,0,0,0|1,0,1]=4 19187 B13R0.119 CCCCC(C)COCCCC(=O)C 34a_100011995851_100000685027 [0,2,0,0,0,0|0,0,0]=2 19188 B13R0.119 CCCCC(C)COCCCC(=O)C 7a_100011995851_100011215641 [0,2,0,0,0,0|0,0,0]=2 19189 B13R0.119 CCCCC(C)COCCCC(=O)N 34a_100011995851_100102525003 [0,2,0,0,0,0|1,0,0]=3 19190 B13R0.119 CCCCC(C)COCCCC(=O)N 7a_100011995851_100102525003 [0,2,0,0,0,0|1,0,0]=3 19191 B13R0.119 CCCCC(C)COCCCC(C)C 34a_100011995851_100011214892 [0,2,0,0,0,0|1,0,1]=4 19192 B13R0.119 CCCCC(C)COCCCC(C)C 7a_100011995851_100011214892 [0,2,0,0,0,0|1,0,1]=4 19193 B13R0.119 CCCCC(C)COCCCC(C)O 34a_100011995851_200000718107 [0,2,0,0,0,0|0,0,2]=4 19194 B13R0.119 CCCCC(C)COCCCC(C)O 7a_100011995851_200000718107 [0,2,0,0,0,0|0,0,2]=4 19195 B13R0.119 CCCCC(C)COCCCN(C)C 7a_100011995851_100000757444 [0,2,0,0,0,0|2,0,0]=4 19196 B13R0.119 CCCCC(C)COCCNC(=O)C 7a_100011995851_100000189650 [0,2,0,0,0,0|1,0,0]=3 19197 B13R0.119 CCCCC(C)COCCNC(=O)N 7a_100011995851_200000034859 [0,2,0,0,0,0|2,0,0]=4 19198 B13R0.119 CCCCC(C)COCCOC(=O)C 34a_100011995851_100009814007 [0,2,0,0,0,0|1,0,0]=3 19199 B13R0.119 CCCCC(C)COCCOC(=O)C 7a_100011995851_100009814007 [0,2,0,0,0,0|1,0,0]=3 19200 B13R0.119 CCCCC(C)COCCOC(=O)N 34a_100011995851_200011214921 [0,2,0,0,0,0|2,0,0]=4 19201 B13R0.119 CCCCC(C)COCCOC(=O)N 7a_100011995851_200011214921 [0,2,0,0,0,0|2,0,0]=4 19202 B13R0.119 CCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210087 [0,2,0,0,0,0|1,0,0]=3 19203 B13R0.119 CCCCC(C)NCCCCC(=O)N 34a_100000696515_200011215066 [0,2,0,0,0,0|1,0,0]=3 19204 B13R0.119 CCCCC(C)NCCCCC(C)C 2230a_100000126638_100011216152 [0,2,0,0,0,0|1,0,1]=4 19205 B13R0.119 CCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210087 [0,2,0,0,0,0|1,0,0]=3 19206 B13R0.119 CCCCC(C)NCCCNC(=O)C 34a_100000736810_200011215066 [0,2,0,0,0,0|1,0,0]=3 19207 B13R0.119 CCCCC(C)NCCCOC(=S)C 2230a_100000126638_200135323944 [0,2,0,0,0,0|1,1,0]=4 19208 B13R0.119 CCCCC(C)NCCCSC(=O)C 2230a_100000126638_100000038929 [0,2,0,0,0,0|1,0,0]=3 19209 B13R0.119 CCCCC(C)NCCOCC(=O)N 2230a_100000126638_100000076697 [0,2,0,0,0,0|2,0,0]=4 19210 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [0,2,0,0,0,0|2,0,0]=4 19211 B13R0.119 CCCCC(C)OCCCCC(=O)C 34a_100000687866_100009817362 [0,2,0,0,0,0|0,0,0]=2 19212 B13R0.119 CCCCC(C)OCCCCC(=O)C 7a_100000687866_100000735457 [0,2,0,0,0,0|0,0,0]=2 19213 B13R0.119 CCCCC(C)OCCCCC(=O)N 34a_100012022536_200011215066 [0,2,0,0,0,0|1,0,0]=3 19214 B13R0.119 CCCCC(C)OCCCCC(=O)N 7a_100012022536_200011215066 [0,2,0,0,0,0|1,0,0]=3 19215 B13R0.119 CCCCC(C)OCCCCC(C)C 34a_100000687866_100011216152 [0,2,0,0,0,0|1,0,1]=4 19216 B13R0.119 CCCCC(C)OCCCCC(C)C 34a_100011214890_200011215066 [0,2,0,0,0,0|1,0,1]=4 19217 B13R0.119 CCCCC(C)OCCCCC(C)C 7a_100000687866_100011216152 [0,2,0,0,0,0|1,0,1]=4 19218 B13R0.119 CCCCC(C)OCCCCC(C)C 7a_100011214890_200011215066 [0,2,0,0,0,0|1,0,1]=4 19219 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011215066 [0,2,0,0,0,0|2,0,0]=4 19220 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011215066 [0,2,0,0,0,0|2,0,0]=4 19221 B13R0.119 CCCCC(C)OCCCNC(=O)C 34a_100000752032_200011215066 [0,2,0,0,0,0|1,0,0]=3 19222 B13R0.119 CCCCC(C)OCCCOC(=O)C 34a_100000687866_100000042594 [0,2,0,0,0,0|1,0,0]=3 19223 B13R0.119 CCCCC(C)OCCCOC(=O)C 7a_100000687866_100000042594 [0,2,0,0,0,0|1,0,0]=3 19224 B13R0.119 CCCCC(C)OCCCOC(=S)C 34a_100000687866_200135323944 [0,2,0,0,0,0|1,1,0]=4 19225 B13R0.119 CCCCC(C)OCCCOC(=S)C 7a_100000687866_200135323944 [0,2,0,0,0,0|1,1,0]=4 19226 B13R0.119 CCCCC(C)OCCCSC(=O)C 34a_100000687866_100000038929 [0,2,0,0,0,0|1,0,0]=3 19227 B13R0.119 CCCCC(C)OCCCSC(=O)C 7a_100000687866_100000038929 [0,2,0,0,0,0|1,0,0]=3 19228 B13R0.119 CCCCC(C)OCCOCC(=O)N 34a_100000687866_100000076697 [0,2,0,0,0,0|2,0,0]=4 19229 B13R0.119 CCCCC(C)OCCOCC(=O)N 7a_100000687866_100000076697 [0,2,0,0,0,0|2,0,0]=4 19230 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_100000735457_200011215066 [0,2,0,0,0,0|0,0,0]=2 19231 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_200011215066_100000735457 [0,2,0,0,0,0|0,0,0]=2 19232 B13R0.119 CCCCC(C)SCCCCC(C)C 62a_100011216152_200011215066 [0,2,0,0,0,0|1,0,1]=4 19233 B13R0.119 CCCCC(C)SCCCCC(C)C 62a_200011215066_100011216152 [0,2,0,0,0,0|1,0,1]=4 19234 B13R0.119 CCCCC(C)SCCCCN(C)C 62a_200011215066_100000690147 [0,2,0,0,0,0|2,0,0]=4 19235 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_100000042594_200011215066 [0,2,0,0,0,0|1,0,0]=3 19236 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_200011215066_100000042594 [0,2,0,0,0,0|1,0,0]=3 19237 B13R0.119 CCCCC(C)SCCCOC(=S)C 62a_200011215066_200135323944 [0,2,0,0,0,0|1,1,0]=4 19238 B13R0.119 CCCCC(C)SCCCOC(=S)C 62a_200135323944_200011215066 [0,2,0,0,0,0|1,1,0]=4 19239 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_100000038929_200011215066 [0,2,0,0,0,0|1,0,0]=3 19240 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_200011215066_100000038929 [0,2,0,0,0,0|1,0,0]=3 19241 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_100000076697_200011215066 [0,2,0,0,0,0|2,0,0]=4 19242 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_200011215066_100000076697 [0,2,0,0,0,0|2,0,0]=4 19243 B13R0.119 CCCCN(C)CCCCCC(=O)N 2230a_100000207549_100009817443 [0,2,0,0,0,0|1,0,0]=3 19244 B13R0.119 CCCCN(C)CCCCCC(=O)N 269982a_100000207549_100009817443 [0,2,0,0,0,0|1,0,0]=3 19245 B13R0.119 CCCCN(C)CCCCCC(C)C 2230a_100000207549_100000210682 [0,2,0,0,0,0|1,0,1]=4 19246 B13R0.119 CCCCN(C)CCCCCC(C)C 269982a_100000207549_100000210682 [0,2,0,0,0,0|1,0,1]=4 19247 B13R0.119 CCCCN(C)CCCCOC(=O)C 269982a_100000207549_100000033659 [0,2,0,0,0,0|1,0,0]=3 19248 B13R0.119 CCCCN(C)CCCCSC(=O)C 2230a_100000207549_200010402107 [0,2,0,0,0,0|1,0,0]=3 19249 B13R0.119 CCCCN(C)CCCCSC(=O)C 269982a_100000207549_200010402107 [0,2,0,0,0,0|1,0,0]=3 19250 B13R0.119 CCCCN(C)COCCOC(=O)C 269982a_100000207549_100000076355 [0,2,0,0,0,0|2,0,0]=4 19251 B13R0.119 CCCC[C@H](N)COCCC=C(C)C 34a_100011934283_100011217483 [0,2,0,0,0,0|1,0,1]=4 19252 B13R0.119 CCCC[C@H](N)COCCCC(=O)C 34a_100011934283_100000685027 [0,2,0,0,0,0|0,0,0]=2 19253 B13R0.119 CCCC[C@H](N)COCCCC(=O)N 34a_100011934283_100102525003 [0,2,0,0,0,0|1,0,0]=3 19254 B13R0.119 CCCC[C@H](N)COCCCC(C)C 34a_100011934283_100011214892 [0,2,0,0,0,0|1,0,1]=4 19255 B13R0.119 CCCC[C@H](N)COCCCC(C)O 34a_100011934283_200000718107 [0,2,0,0,0,0|0,0,2]=4 19256 B13R0.119 CCCC[C@H](N)COCCOC(=O)C 34a_100011934283_100009814007 [0,2,0,0,0,0|1,0,0]=3 19257 B13R0.119 CCCC[C@H](N)COCCOC(=O)N 34a_100011934283_200011214921 [0,2,0,0,0,0|2,0,0]=4 19258 B13R0.119 CCCNC(=O)COCCCC(=O)C 34a_100000759063_100000183358 [0,2,0,0,0,0|1,0,1]=4 19259 B13R0.119 CCCNC(=O)COCCCC(=O)C 7a_100000759063_100000183358 [0,2,0,0,0,0|1,0,1]=4 19260 B13R0.119 CCCNC(=O)CSCCCC(=O)C 62a_100000183358_100011215641 [0,2,0,0,0,0|1,0,1]=4 19261 B13R0.119 CCCNC(=O)CSCCCC(=O)C 62a_100011215641_100000183358 [0,2,0,0,0,0|1,0,1]=4 19262 B13R0.119 CCCOC(=O)COCCCC(=O)C 34a_100000759063_200011215008 [0,2,0,0,0,0|1,0,1]=4 19263 B13R0.119 CCCOC(=O)COCCCC(=O)C 7a_100000759063_200011215008 [0,2,0,0,0,0|1,0,1]=4 19264 B13R0.119 CCCOC(=O)CSCCCC(=O)C 62a_100011215641_200011215008 [0,2,0,0,0,0|1,0,1]=4 19265 B13R0.119 CCCOC(=O)CSCCCC(=O)C 62a_200011215008_100011215641 [0,2,0,0,0,0|1,0,1]=4 19266 B13R0.119 CCCOC(C)CNCCCC(=O)C 34a_100015185124_100000685027 [0,2,0,0,0,0|1,0,0]=3 19267 B13R0.119 CCCOC(C)CNCCCC(=O)N 34a_100015185124_100102525003 [0,2,0,0,0,0|2,0,0]=4 19268 B13R0.119 CCCOC(C)CNCCNC(=O)C 2230a_100015185124_100000189650 [0,2,0,0,0,0|2,0,0]=4 19269 B13R0.119 CCCOC(C)CNCCOC(=O)C 34a_100015185124_100009814007 [0,2,0,0,0,0|2,0,0]=4 19270 B13R0.119 CCOCC(=O)CCCCCC(=O)N 1458a_100000211967_100009817443 [0,2,0,0,0,0|1,0,1]=4 19271 B13R0.119 CCOCC(=O)CCCCOC(=O)C 1458a_100000211967_100000033659 [0,2,0,0,0,0|1,0,1]=4 19272 B13R0.119 CCOCC(=O)CCCCSC(=O)C 1458a_100000211967_200010402107 [0,2,0,0,0,0|1,0,1]=4 19273 B13R0.119 CCOCC(C)OCCCCC(=O)C 34a_100000718985_100009817362 [0,2,0,0,0,0|1,0,0]=3 19274 B13R0.119 CCOCC(C)OCCCCC(=O)C 7a_100000718985_100000735457 [0,2,0,0,0,0|1,0,0]=3 19275 B13R0.119 CCOCC(C)OCCCOC(=O)C 34a_100000718985_100000042594 [0,2,0,0,0,0|2,0,0]=4 19276 B13R0.119 CCOCC(C)OCCCOC(=O)C 7a_100000718985_100000042594 [0,2,0,0,0,0|2,0,0]=4 19277 B13R0.119 CCOCC(C)OCCCSC(=O)C 34a_100000718985_100000038929 [0,2,0,0,0,0|2,0,0]=4 19278 B13R0.119 CCOCC(C)OCCCSC(=O)C 7a_100000718985_100000038929 [0,2,0,0,0,0|2,0,0]=4 19279 B13R0.119 CCOCC(O)CNCCCC(=O)C 34a_102515437182_100000685027 [0,2,0,0,0,0|1,0,0]=3 19280 B13R0.119 CCOCC(O)CNCCCC(=O)N 34a_102515437182_100102525003 [0,2,0,0,0,0|2,0,0]=4 19281 B13R0.119 CCOCC(O)CNCCNC(=O)C 2230a_102515437182_100000189650 [0,2,0,0,0,0|2,0,0]=4 19282 B13R0.119 CCOCC(O)CNCCOC(=O)C 34a_102515437182_100009814007 [0,2,0,0,0,0|2,0,0]=4 19283 B13R0.119 CCSCC(=O)CCCCCC(=O)N 1458a_100000230394_100009817443 [0,2,0,0,0,0|1,0,1]=4 19284 B13R0.119 CCSCC(=O)CCCCOC(=O)C 1458a_100000230394_100000033659 [0,2,0,0,0,0|1,0,1]=4 19285 B13R0.119 CCSCC(=O)CCCCSC(=O)C 1458a_100000230394_200010402107 [0,2,0,0,0,0|1,0,1]=4 19286 B13R0.119 CCSCC(C)NCCCCC(=O)N 270004a_100000696515_200011216171 [0,2,0,0,0,0|2,0,0]=4 19287 B13R0.119 CCSCC(C)NCCCNC(=O)C 270004a_100000736810_200011216171 [0,2,0,0,0,0|2,0,0]=4 19288 B13R0.119 CN(CCCO)CCCCCC(=O)N 2230a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 19289 B13R0.119 CN(CCCO)CCCCCC(=O)N 269982a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 19290 B13R0.119 COCCC(=O)CCCCCC(=O)N 1458a_100000749529_100009817443 [0,2,0,0,0,0|1,0,1]=4 19291 B13R0.119 COCCC(=O)CCCCOC(=O)C 1458a_100000749529_100000033659 [0,2,0,0,0,0|1,0,1]=4 19292 B13R0.119 COCCC(=O)CCCCSC(=O)C 1458a_100000749529_200010402107 [0,2,0,0,0,0|1,0,1]=4 19293 B13R0.119 COCCC(C)NCCCCC(=O)N 270004a_100000696515_100000742357 [0,2,0,0,0,0|2,0,0]=4 19294 B13R0.119 COCCC(C)NCCCNC(=O)C 270004a_100000736810_100000742357 [0,2,0,0,0,0|2,0,0]=4 19295 B13R0.119 COCCN(C)CCCCCC(=O)N 2230a_100000743101_100009817443 [0,2,0,0,0,0|2,0,0]=4 19296 B13R0.119 COCCN(C)CCCCCC(=O)N 269982a_100000743101_100009817443 [0,2,0,0,0,0|2,0,0]=4 19297 B13R0.119 COCCN(C)CCCCOC(=O)C 269982a_100000743101_100000033659 [0,2,0,0,0,0|2,0,0]=4 19298 B13R0.119 COCCN(C)CCCCSC(=O)C 2230a_100000743101_200010402107 [0,2,0,0,0,0|2,0,0]=4 19299 B13R0.119 COCCN(C)CCCCSC(=O)C 269982a_100000743101_200010402107 [0,2,0,0,0,0|2,0,0]=4 19300 B13R0.119 COCO[C@H](C)COCCCC(=O)C 34a_100016172286_100000685027 [0,2,0,0,0,0|2,0,0]=4 19301 B13R0.119 COCO[C@H](C)COCCCC(=O)C 7a_100016172286_100011215641 [0,2,0,0,0,0|2,0,0]=4 19302 B13R0.119 CSCCC(=O)CCCCCC(=O)N 1458a_100000174002_100009817443 [0,2,0,0,0,0|1,0,1]=4 19303 B13R0.119 CSCCC(=O)CCCCOC(=O)C 1458a_100000174002_100000033659 [0,2,0,0,0,0|1,0,1]=4 19304 B13R0.119 CSCCC(=O)CCCCSC(=O)C 1458a_100000174002_200010402107 [0,2,0,0,0,0|1,0,1]=4 19305 B13R0.119 CSCCC(C)NCCCCC(=O)N 270004a_100000696515_100011217047 [0,2,0,0,0,0|2,0,0]=4 19306 B13R0.119 CSCCC(C)NCCCNC(=O)C 270004a_100000736810_100011217047 [0,2,0,0,0,0|2,0,0]=4 19307 B13R0.119 CSCCN(C)CCCCCC(=O)N 2230a_100000686725_100009817443 [0,2,0,0,0,0|2,0,0]=4 19308 B13R0.119 CSCCN(C)CCCCCC(=O)N 269982a_100000686725_100009817443 [0,2,0,0,0,0|2,0,0]=4 19309 B13R0.119 CSCCN(C)CCCCOC(=O)C 269982a_100000686725_100000033659 [0,2,0,0,0,0|2,0,0]=4 19310 B13R0.119 CSCCN(C)CCCCSC(=O)C 2230a_100000686725_200010402107 [0,2,0,0,0,0|2,0,0]=4 19311 B13R0.119 CSCCN(C)CCCCSC(=O)C 269982a_100000686725_200010402107 [0,2,0,0,0,0|2,0,0]=4 19312 B13R0.119 CSCC[C@H](N)COCCCC(=O)C 34a_100011827619_100000685027 [0,2,0,0,0,0|1,0,0]=3 19313 B13R0.119 CSCC[C@H](N)COCCCC(=O)N 34a_100011827619_100102525003 [0,2,0,0,0,0|2,0,0]=4 19314 B13R0.119 CSCC[C@H](N)COCCOC(=O)C 34a_100011827619_100009814007 [0,2,0,0,0,0|2,0,0]=4 19315 B13R0.119 C[C@H](CCCO)CNCCCC(=O)N 34a_100160569302_100102525003 [0,2,0,0,0,0|2,0,0]=4 19316 B13R0.147 C#C/C(=C\COCCCCCCC)/C 34a_100016990848_100000210614 [0,2,0,0,0,0|1,0,1]=4 19317 B13R0.147 C#CC(=O)CCCCCCC#CCC 1458a_100000211873_200000036426 [0,2,0,0,0,0|0,0,2]=4 19318 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,2,0,0,0,0|0,0,2]=4 19319 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,2,0,0,0,0|0,0,1]=3 19320 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,2,0,0,0,0|0,0,1]=3 19321 B13R0.147 C#CC(C)NCCCCCCCCC 2230a_100000707721_100011214924 [0,2,0,0,0,0|1,0,1]=4 19322 B13R0.147 C#CC(C)NCCCCCCCCC 34a_100000212291_200000035995 [0,2,0,0,0,0|1,0,1]=4 19323 B13R0.147 C#CC(C)NCCCCCCCCC 34a_100000707721_100011214924 [0,2,0,0,0,0|1,0,1]=4 19324 B13R0.147 C#CC(C)OCCCCCCCCC 34a_100000210712_200000035995 [0,2,0,0,0,0|1,0,1]=4 19325 B13R0.147 C#CC(C)SCCCCCCCCC 62a_200000035995_100000210670 [0,2,0,0,0,0|1,0,1]=4 19326 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,2,0,0,0,0|0,0,1]=3 19327 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,2,0,0,0,0|0,0,1]=3 19328 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,2,0,0,0,0|0,0,1]=3 19329 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,2,0,0,0,0|0,0,1]=3 19330 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,2,0,0,0,0|0,0,1]=3 19331 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,2,0,0,0,0|0,0,1]=3 19332 B13R0.147 C#CCCCCCCNCC(=O)NC 2230a_100000693194_100012276617 [0,2,0,0,0,0|0,0,2]=4 19333 B13R0.147 C#CCCCCCCOCC(=O)CC 34a_100000725409_100012276617 [0,2,0,0,0,0|0,0,2]=4 19334 B13R0.147 C#CCCCCCCOCC(=O)CC 7a_100011217361_100000747405 [0,2,0,0,0,0|0,0,2]=4 19335 B13R0.147 C#CCCCCCCOCC(=O)NC 34a_100000750040_100012276617 [0,2,0,0,0,0|0,0,2]=4 19336 B13R0.147 C#CCCCCCCOCC(=O)NC 34a_100011217361_100000183359 [0,2,0,0,0,0|0,0,2]=4 19337 B13R0.147 C#CCCCCCCOCC(=O)NC 7a_100011217361_100000183359 [0,2,0,0,0,0|0,0,2]=4 19338 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,2,0,0,0,0|0,0,2]=4 19339 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,2,0,0,0,0|0,0,2]=4 19340 B13R0.147 C#CCCCCCCSCC(=O)CC 62a_100000747405_100012276617 [0,2,0,0,0,0|0,0,2]=4 19341 B13R0.147 C#CCCCCCCSCC(=O)CC 62a_100012276617_100000747405 [0,2,0,0,0,0|0,0,2]=4 19342 B13R0.147 C#CCCCCCCSCC(=O)NC 62a_100000183359_100012276617 [0,2,0,0,0,0|0,0,2]=4 19343 B13R0.147 C#CCCCCCCSCC(=O)NC 62a_100012276617_100000183359 [0,2,0,0,0,0|0,0,2]=4 19344 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100000747449_100012276617 [0,2,0,0,0,0|0,0,2]=4 19345 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100012276617_100000747449 [0,2,0,0,0,0|0,0,2]=4 19346 B13R0.147 C#CCCCCCNCCC(=O)NC 2230a_100000738227_100012094781 [0,2,0,0,0,0|0,0,2]=4 19347 B13R0.147 C#CCCCCCNCCC(=O)NC 34a_100000738227_100012094781 [0,2,0,0,0,0|0,0,2]=4 19348 B13R0.147 C#CCCCCCOCCC(=O)NC 34a_100000754576_100012094781 [0,2,0,0,0,0|0,0,2]=4 19349 B13R0.147 C#CCCCCCOCCC(=O)NC 34a_100000766912_100012179268 [0,2,0,0,0,0|0,0,2]=4 19350 B13R0.147 C#CCCCCCOCCC(=O)NC 7a_100000766912_100000737683 [0,2,0,0,0,0|0,0,2]=4 19351 B13R0.147 C#CCCCCCOCCC(=O)OC 34a_100000766912_100000742370 [0,2,0,0,0,0|0,0,2]=4 19352 B13R0.147 C#CCCCCCOCCC(=O)OC 7a_100000766912_100000204255 [0,2,0,0,0,0|0,0,2]=4 19353 B13R0.147 C#CCCCCCSCCC(=O)NC 62a_100000737683_100012094781 [0,2,0,0,0,0|0,0,2]=4 19354 B13R0.147 C#CCCCCCSCCC(=O)NC 62a_100012094781_100000737683 [0,2,0,0,0,0|0,0,2]=4 19355 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100000204255_100012094781 [0,2,0,0,0,0|0,0,2]=4 19356 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100012094781_100000204255 [0,2,0,0,0,0|0,0,2]=4 19357 B13R0.147 C#CCCCCNCCCC(=O)NC 2230a_100000706060_100000741757 [0,2,0,0,0,0|0,0,2]=4 19358 B13R0.147 C#CCCCCNCCCC(=O)NC 2230a_100000740002_100010269958 [0,2,0,0,0,0|0,0,2]=4 19359 B13R0.147 C#CCCCCNCCCC(=O)NC 34a_100000706060_100000741757 [0,2,0,0,0,0|0,0,2]=4 19360 B13R0.147 C#CCCCCNCCCC(=O)NC 34a_100000740002_100010269958 [0,2,0,0,0,0|0,0,2]=4 19361 B13R0.147 C#CCCCCNCCCC(=O)OC 2230a_100000706060_100011218270 [0,2,0,0,0,0|0,0,2]=4 19362 B13R0.147 C#CCCCCNCCCC(=O)OC 34a_100000706060_100000742333 [0,2,0,0,0,0|0,0,2]=4 19363 B13R0.147 C#CCCCCOCCCC(=O)NC 34a_100000766709_100000741757 [0,2,0,0,0,0|0,0,2]=4 19364 B13R0.147 C#CCCCCOCCCC(=O)NC 7a_100000766709_100000741757 [0,2,0,0,0,0|0,0,2]=4 19365 B13R0.147 C#CCCCCOCCCC(=O)OC 34a_100000766709_100000742333 [0,2,0,0,0,0|0,0,2]=4 19366 B13R0.147 C#CCCCCOCCCC(=O)OC 7a_100000766709_100011218270 [0,2,0,0,0,0|0,0,2]=4 19367 B13R0.147 C#CCCCCSCCCC(=O)NC 62a_100000741757_100010269958 [0,2,0,0,0,0|0,0,2]=4 19368 B13R0.147 C#CCCCCSCCCC(=O)NC 62a_100010269958_100000741757 [0,2,0,0,0,0|0,0,2]=4 19369 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100010269958_100011218270 [0,2,0,0,0,0|0,0,2]=4 19370 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100011218270_100010269958 [0,2,0,0,0,0|0,0,2]=4 19371 B13R0.147 C#CCCCNCCCCC(=O)OC 34a_100000718082_100000204269 [0,2,0,0,0,0|0,0,2]=4 19372 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000059025_100000695029 [0,2,0,0,0,0|0,0,2]=4 19373 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000215630_100000204269 [0,2,0,0,0,0|0,0,2]=4 19374 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000059025_100011215417 [0,2,0,0,0,0|0,0,2]=4 19375 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000215630_100000204269 [0,2,0,0,0,0|0,0,2]=4 19376 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100000204269_100011215417 [0,2,0,0,0,0|0,0,2]=4 19377 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100011215417_100000204269 [0,2,0,0,0,0|0,0,2]=4 19378 B13R0.147 C#CCCNCCCCCC(=O)OC 34a_100000755551_100009816466 [0,2,0,0,0,0|0,0,2]=4 19379 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100000074720_100000688953 [0,2,0,0,0,0|0,0,2]=4 19380 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100011215631_100009816466 [0,2,0,0,0,0|0,0,2]=4 19381 B13R0.147 C#CCCOCCCCCC(=O)OC 7a_100000074720_100000688953 [0,2,0,0,0,0|0,0,2]=4 19382 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100000688953_100009816466 [0,2,0,0,0,0|0,0,2]=4 19383 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100009816466_100000688953 [0,2,0,0,0,0|0,0,2]=4 19384 B13R0.147 C#CCNCCCCCCC(=O)OC 34a_100000212058_100009815986 [0,2,0,0,0,0|0,0,2]=4 19385 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100000210247_100009815986 [0,2,0,0,0,0|0,0,2]=4 19386 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100009863599_100000184674 [0,2,0,0,0,0|0,0,2]=4 19387 B13R0.147 C#CCOCCCCCCC(=O)OC 7a_100009863599_100000038162 [0,2,0,0,0,0|0,0,2]=4 19388 B13R0.147 C#CCSCCCCCCC(=O)OC 62a_100000038162_100009815986 [0,2,0,0,0,0|0,0,2]=4 19389 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 34a_100009815206_100011214924 [0,2,0,0,0,0|1,0,1]=4 19390 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 7a_100009815206_100000210328 [0,2,0,0,0,0|1,0,1]=4 19391 B13R0.147 C/C=C/CCOCCCCC(=O)OC 34a_100016278192_100000204269 [0,2,0,0,0,0|0,0,2]=4 19392 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100000074720_100102629194 [0,2,0,0,0,0|0,0,2]=4 19393 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100016270725_100009816466 [0,2,0,0,0,0|0,0,2]=4 19394 B13R0.147 C/C=C/COCCCCCC(=O)OC 7a_100000074720_100102629194 [0,2,0,0,0,0|0,0,2]=4 19395 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100009816466_100102629194 [0,2,0,0,0,0|0,0,2]=4 19396 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100102629194_100009816466 [0,2,0,0,0,0|0,0,2]=4 19397 B13R0.147 C=C(C#N)CNCCCCCCCC 2230a_100000229939_100000694840 [0,2,0,0,0,0|1,0,1]=4 19398 B13R0.147 C=C(C#N)CNCCCCCCCC 34a_100000229939_100000694840 [0,2,0,0,0,0|1,0,1]=4 19399 B13R0.147 C=C(C#N)COCCCCCCCC 34a_100000210232_100000694840 [0,2,0,0,0,0|1,0,1]=4 19400 B13R0.147 C=C(C#N)CSCCCCCCCC 62a_100000210759_100000694840 [0,2,0,0,0,0|1,0,1]=4 19401 B13R0.147 C=CC(=O)CCCCCCC#CCC 1458a_100000185746_200000036426 [0,2,0,0,0,0|0,0,2]=4 19402 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,2,0,0,0,0|0,0,1]=3 19403 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,2,0,0,0,0|0,0,1]=3 19404 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,2,0,0,0,0|0,0,1]=3 19405 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,2,0,0,0,0|0,0,1]=3 19406 B13R0.147 C=CC(=O)NCCCCCCCCO 240690a_102515433106_200121576911 [0,2,0,0,0,0|1,0,1]=4 19407 B13R0.147 C=CC(=O)NCCCCOCCCC 34a_100014118770_100000210210 [0,2,0,0,0,0|1,0,1]=4 19408 B13R0.147 C=CC(=O)NCCNCCCCCC 2230a_114873766552_100000210314 [0,2,0,0,0,0|1,0,1]=4 19409 B13R0.147 C=CC(=O)NCCOCCCCCC 34a_100011304386_100000210314 [0,2,0,0,0,0|1,0,1]=4 19410 B13R0.147 C=CC(=O)OCCCCCCNCC 2230a_100015525214_100009894100 [0,2,0,0,0,0|1,0,1]=4 19411 B13R0.147 C=CC(=O)OCCCCCCOCC 34a_100121572206_100009894100 [0,2,0,0,0,0|1,0,1]=4 19412 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100000210202_100009894100 [0,2,0,0,0,0|1,0,1]=4 19413 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100009894100_100000210202 [0,2,0,0,0,0|1,0,1]=4 19414 B13R0.147 C=CC(=O)OCCCCCOCCC 7a_200011023508_100000210303 [0,2,0,0,0,0|1,0,1]=4 19415 B13R0.147 C=CC(=O)OCCNCCCCCC 2230a_100000210581_100009813456 [0,2,0,0,0,0|1,0,1]=4 19416 B13R0.147 C=CC(=O)OCCOCCCCCC 34a_100000210259_100009813456 [0,2,0,0,0,0|1,0,1]=4 19417 B13R0.147 C=CC(=O)OCCOCCCCCC 7a_100000210259_100009813456 [0,2,0,0,0,0|1,0,1]=4 19418 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100000210314_100009813456 [0,2,0,0,0,0|1,0,1]=4 19419 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100009813456_100000210757 [0,2,0,0,0,0|1,0,1]=4 19420 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [0,2,0,0,0,0|1,0,1]=4 19421 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [0,2,0,0,0,0|1,0,1]=4 19422 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [0,2,0,0,0,0|1,0,1]=4 19423 B13R0.147 C=CC(C)SCCCCCCCCC 62a_100011215867_100000210670 [0,2,0,0,0,0|1,0,1]=4 19424 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,2,0,0,0,0|0,0,2]=4 19425 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|0,0,1]=3 19426 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|0,0,1]=3 19427 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,2,0,0,0,0|0,0,1]=3 19428 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|0,0,1]=3 19429 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,2,0,0,0,0|0,0,1]=3 19430 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,2,0,0,0,0|0,0,1]=3 19431 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,2,0,0,0,0|0,0,1]=3 19432 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,2,0,0,0,0|0,0,1]=3 19433 B13R0.147 C=CCCCCCCNCC(=O)NC 2230a_100000693194_100011215473 [0,2,0,0,0,0|0,0,2]=4 19434 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,2,0,0,0,0|0,0,2]=4 19435 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,2,0,0,0,0|0,0,2]=4 19436 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_100000750040_100011215473 [0,2,0,0,0,0|0,0,2]=4 19437 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_200011216477_100000183359 [0,2,0,0,0,0|0,0,2]=4 19438 B13R0.147 C=CCCCCCCOCC(=O)NC 7a_200011216477_100000183359 [0,2,0,0,0,0|0,0,2]=4 19439 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,2,0,0,0,0|0,0,2]=4 19440 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,2,0,0,0,0|0,0,2]=4 19441 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,2,0,0,0,0|0,0,2]=4 19442 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,2,0,0,0,0|0,0,2]=4 19443 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100000183359_100011215473 [0,2,0,0,0,0|0,0,2]=4 19444 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100011215473_100000183359 [0,2,0,0,0,0|0,0,2]=4 19445 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,2,0,0,0,0|0,0,2]=4 19446 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,2,0,0,0,0|0,0,2]=4 19447 B13R0.147 C=CCCCCCNCCC(=O)NC 2230a_100000738227_100000700193 [0,2,0,0,0,0|0,0,2]=4 19448 B13R0.147 C=CCCCCCNCCC(=O)NC 34a_100000738227_100000700193 [0,2,0,0,0,0|0,0,2]=4 19449 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100000754576_100000700193 [0,2,0,0,0,0|0,0,2]=4 19450 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100011216702_100012179268 [0,2,0,0,0,0|0,0,2]=4 19451 B13R0.147 C=CCCCCCOCCC(=O)NC 7a_100011216702_100000737683 [0,2,0,0,0,0|0,0,2]=4 19452 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,2,0,0,0,0|0,0,2]=4 19453 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,2,0,0,0,0|0,0,2]=4 19454 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000700193_100000737683 [0,2,0,0,0,0|0,0,2]=4 19455 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000737683_100000700193 [0,2,0,0,0,0|0,0,2]=4 19456 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,2,0,0,0,0|0,0,2]=4 19457 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,2,0,0,0,0|0,0,2]=4 19458 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000703577_100000741757 [0,2,0,0,0,0|0,0,2]=4 19459 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000740002_100011215482 [0,2,0,0,0,0|0,0,2]=4 19460 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000703577_100000741757 [0,2,0,0,0,0|0,0,2]=4 19461 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000740002_100011215482 [0,2,0,0,0,0|0,0,2]=4 19462 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,2,0,0,0,0|0,0,2]=4 19463 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,2,0,0,0,0|0,0,2]=4 19464 B13R0.147 C=CCCCCOCCCC(=O)NC 34a_100000766645_100000741757 [0,2,0,0,0,0|0,0,2]=4 19465 B13R0.147 C=CCCCCOCCCC(=O)NC 7a_100000766645_100000741757 [0,2,0,0,0,0|0,0,2]=4 19466 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,2,0,0,0,0|0,0,2]=4 19467 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,2,0,0,0,0|0,0,2]=4 19468 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100000741757_100011215482 [0,2,0,0,0,0|0,0,2]=4 19469 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100011215482_100000741757 [0,2,0,0,0,0|0,0,2]=4 19470 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,2,0,0,0,0|0,0,2]=4 19471 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,2,0,0,0,0|0,0,2]=4 19472 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,2,0,0,0,0|0,0,2]=4 19473 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,2,0,0,0,0|0,0,2]=4 19474 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,2,0,0,0,0|0,0,2]=4 19475 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,2,0,0,0,0|0,0,2]=4 19476 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,2,0,0,0,0|0,0,2]=4 19477 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,2,0,0,0,0|0,0,2]=4 19478 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,2,0,0,0,0|0,0,2]=4 19479 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,2,0,0,0,0|0,0,2]=4 19480 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,2,0,0,0,0|0,0,2]=4 19481 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,2,0,0,0,0|0,0,2]=4 19482 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,2,0,0,0,0|0,0,2]=4 19483 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,2,0,0,0,0|0,0,2]=4 19484 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,2,0,0,0,0|0,0,2]=4 19485 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,2,0,0,0,0|0,0,2]=4 19486 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,2,0,0,0,0|0,0,2]=4 19487 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,2,0,0,0,0|0,0,2]=4 19488 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,2,0,0,0,0|0,0,2]=4 19489 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,2,0,0,0,0|0,0,2]=4 19490 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,2,0,0,0,0|0,0,2]=4 19491 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,2,0,0,0,0|0,0,2]=4 19492 B13R0.147 CC#CCCCCCCCC(=O)CC 1458a_100000066323_100000210202 [0,2,0,0,0,0|0,0,1]=3 19493 B13R0.147 CC#CCCCCCCCC(=O)CF 1458a_100000066323_100015361967 [0,2,0,0,0,0|0,0,1]=3 19494 B13R0.147 CC#CCCCCCCCC(=O)NC 11a_106832991635_100000066323 [0,2,0,0,0,0|0,0,1]=3 19495 B13R0.147 CC#CCCCCCCCC(=O)NC 1626a_100102657272_100000066323 [0,2,0,0,0,0|0,0,1]=3 19496 B13R0.147 CC#CCCCCCCCC(=O)NC 240690a_100102657272_100000066323 [0,2,0,0,0,0|0,0,1]=3 19497 B13R0.147 CC#CCCCCCCCC(=O)NC 527a_100102657272_100000066323 [0,2,0,0,0,0|0,0,1]=3 19498 B13R0.147 CC#CCCOCCCCC(=O)OC 34a_100000750427_100000204269 [0,2,0,0,0,0|0,0,2]=4 19499 B13R0.147 CC#CCNCCCCCC(=O)OC 2230a_100000685387_100009816466 [0,2,0,0,0,0|0,0,2]=4 19500 B13R0.147 CC#CCNCCCCCC(=O)OC 34a_100000685387_100009816466 [0,2,0,0,0,0|0,0,2]=4 19501 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000074720_100000748600 [0,2,0,0,0,0|0,0,2]=4 19502 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000761923_100009816466 [0,2,0,0,0,0|0,0,2]=4 19503 B13R0.147 CC#CCOCCCCCC(=O)OC 7a_100000074720_100000748600 [0,2,0,0,0,0|0,0,2]=4 19504 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100000748600_100009816466 [0,2,0,0,0,0|0,0,2]=4 19505 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100009816466_100000748600 [0,2,0,0,0,0|0,0,2]=4 19506 B13R0.147 CC/C=C/CCCOCCC(=O)NC 34a_100016287902_100012179268 [0,2,0,0,0,0|0,0,2]=4 19507 B13R0.147 CC/C=C/CCCOCCC(=O)NC 7a_100016287902_100000737683 [0,2,0,0,0,0|0,0,2]=4 19508 B13R0.147 CC/C=C/CCCOCCC(=O)OC 34a_100016287902_100000742370 [0,2,0,0,0,0|0,0,2]=4 19509 B13R0.147 CC/C=C/CCCOCCC(=O)OC 7a_100016287902_100000204255 [0,2,0,0,0,0|0,0,2]=4 19510 B13R0.147 CC/C=C\CCCCOCC(=O)CC 7a_100016287862_100000747405 [0,2,0,0,0,0|0,0,2]=4 19511 B13R0.147 CC/C=C\CCCCOCC(=O)NC 34a_100016287862_100000183359 [0,2,0,0,0,0|0,0,2]=4 19512 B13R0.147 CC/C=C\CCCCOCC(=O)NC 7a_100016287862_100000183359 [0,2,0,0,0,0|0,0,2]=4 19513 B13R0.147 CC/C=C\CCCCOCC(=O)OC 34a_100016287862_100000747449 [0,2,0,0,0,0|0,0,2]=4 19514 B13R0.147 CC/C=C\CCCCOCC(=O)OC 7a_100016287862_100000747449 [0,2,0,0,0,0|0,0,2]=4 19515 B13R0.147 CC/C=C\CCNCCCC(=O)NC 2230a_100000740002_100015370543 [0,2,0,0,0,0|0,0,2]=4 19516 B13R0.147 CC/C=C\CCNCCCC(=O)NC 34a_100000740002_100015370543 [0,2,0,0,0,0|0,0,2]=4 19517 B13R0.147 CC/C=C\CCOCCCC(=O)NC 34a_100016288707_100000741757 [0,2,0,0,0,0|0,0,2]=4 19518 B13R0.147 CC/C=C\CCOCCCC(=O)NC 7a_100016288707_100000741757 [0,2,0,0,0,0|0,0,2]=4 19519 B13R0.147 CC/C=C\CCOCCCC(=O)OC 34a_100016288707_100000742333 [0,2,0,0,0,0|0,0,2]=4 19520 B13R0.147 CC/C=C\CCOCCCC(=O)OC 7a_100016288707_100011218270 [0,2,0,0,0,0|0,0,2]=4 19521 B13R0.147 CC/C=C\CCSCCCC(=O)NC 62a_100000741757_100015370543 [0,2,0,0,0,0|0,0,2]=4 19522 B13R0.147 CC/C=C\CCSCCCC(=O)NC 62a_100015370543_100000741757 [0,2,0,0,0,0|0,0,2]=4 19523 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100011218270_100015370543 [0,2,0,0,0,0|0,0,2]=4 19524 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100015370543_100011218270 [0,2,0,0,0,0|0,0,2]=4 19525 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100000059025_100103147603 [0,2,0,0,0,0|0,0,2]=4 19526 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100016268518_100000204269 [0,2,0,0,0,0|0,0,2]=4 19527 B13R0.147 CC/C=C\COCCCCC(=O)OC 7a_100000059025_100103147603 [0,2,0,0,0,0|0,0,2]=4 19528 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100000204269_100103147603 [0,2,0,0,0,0|0,0,2]=4 19529 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100103147603_100000204269 [0,2,0,0,0,0|0,0,2]=4 19530 B13R0.147 CC=CCCCOCCCC(=O)NC 34a_100020645299_100000741757 [0,2,0,0,0,0|0,0,2]=4 19531 B13R0.147 CC=CCCCOCCCC(=O)OC 34a_100020645299_100000742333 [0,2,0,0,0,0|0,0,2]=4 19532 B13R0.147 CC=CCOCCCCCC(=O)OC 34a_100000074720_100000070051 [0,2,0,0,0,0|0,0,2]=4 19533 B13R0.147 CC=CCOCCCCCC(=O)OC 7a_100000074720_100000070051 [0,2,0,0,0,0|0,0,2]=4 19534 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100000070051_100009816466 [0,2,0,0,0,0|0,0,2]=4 19535 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100009816466_100000070051 [0,2,0,0,0,0|0,0,2]=4 19536 B13R0.147 CCC#CCCCCCCC(=O)CC 1458a_100000210414_200000036426 [0,2,0,0,0,0|0,0,1]=3 19537 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,2,0,0,0,0|0,0,1]=3 19538 B13R0.147 CCC#CCCOCCCC(=O)NC 34a_100000036655_100000741757 [0,2,0,0,0,0|0,0,2]=4 19539 B13R0.147 CCC#CCCOCCCC(=O)NC 7a_100000036655_100000741757 [0,2,0,0,0,0|0,0,2]=4 19540 B13R0.147 CCC#CCCOCCCC(=O)OC 34a_100000036655_100000742333 [0,2,0,0,0,0|0,0,2]=4 19541 B13R0.147 CCC#CCCOCCCC(=O)OC 7a_100000036655_100011218270 [0,2,0,0,0,0|0,0,2]=4 19542 B13R0.147 CCC#CCOCCCCC(=O)OC 34a_100000032950_100000204269 [0,2,0,0,0,0|0,0,2]=4 19543 B13R0.147 CCC#CCOCCCCC(=O)OC 34a_100000059025_100009813939 [0,2,0,0,0,0|0,0,2]=4 19544 B13R0.147 CCC#CCOCCCCC(=O)OC 7a_100000059025_100009813939 [0,2,0,0,0,0|0,0,2]=4 19545 B13R0.147 CCC#CCSCCCCC(=O)OC 62a_100000204269_100009813939 [0,2,0,0,0,0|0,0,2]=4 19546 B13R0.147 CCC#CCSCCCCC(=O)OC 62a_100009813939_100000204269 [0,2,0,0,0,0|0,0,2]=4 19547 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|0,0,0]=2 19548 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|0,0,0]=2 19549 B13R0.147 CCC(=O)CCOCCOCCOC 1458a_100000210414_100013367474 [0,2,0,0,0,0|2,0,0]=4 19550 B13R0.147 CCC(=O)CCOCCOCCOC 1458a_100012278103_100000210202 [0,2,0,0,0,0|2,0,0]=4 19551 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [0,2,0,0,0,0|1,0,0]=3 19552 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,2,0,0,0,0|1,0,0]=3 19553 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [0,2,0,0,0,0|1,0,0]=3 19554 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [0,2,0,0,0,0|1,0,0]=3 19555 B13R0.147 CCC(=O)COCCCOCCOC 34a_100000725409_100011216529 [0,2,0,0,0,0|2,0,0]=4 19556 B13R0.147 CCC(=O)CSCCCCCCC#N 62a_100000747405_100009813337 [0,2,0,0,0,0|1,0,1]=4 19557 B13R0.147 CCC(=O)CSCCCCCCC#N 62a_100009813337_100000747405 [0,2,0,0,0,0|1,0,1]=4 19558 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,2,0,0,0,0|1,0,0]=3 19559 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,2,0,0,0,0|1,0,0]=3 19560 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [0,2,0,0,0,0|1,0,0]=3 19561 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [0,2,0,0,0,0|1,0,0]=3 19562 B13R0.147 CCC(=O)CSCCCOCCOC 62a_100000747405_100011216529 [0,2,0,0,0,0|2,0,0]=4 19563 B13R0.147 CCC(=O)CSCCCOCCOC 62a_100011216529_100000747405 [0,2,0,0,0,0|2,0,0]=4 19564 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,2,0,0,0,0|1,0,0]=3 19565 B13R0.147 CCC(=O)NCCNCCCCCF 34a_100132302217_100000729378 [0,2,0,0,0,0|2,0,0]=4 19566 B13R0.147 CCC(=O)NCCNCCCCCO 34a_100132302217_100000746330 [0,2,0,0,0,0|2,0,0]=4 19567 B13R0.147 CCC(=O)NCCNCCCCOC 34a_100132302217_100000755781 [0,2,0,0,0,0|2,0,0]=4 19568 B13R0.147 CCC(=O)NCCOCCCCCF 34a_200000158885_100000729378 [0,2,0,0,0,0|2,0,0]=4 19569 B13R0.147 CCC(=O)NCCOCCCCCF 7a_200000158885_100000729378 [0,2,0,0,0,0|2,0,0]=4 19570 B13R0.147 CCC(=O)NCCOCCCCCO 34a_200000158885_100000746330 [0,2,0,0,0,0|2,0,0]=4 19571 B13R0.147 CCC(=O)NCCOCCCCCO 7a_200000158885_100000746330 [0,2,0,0,0,0|2,0,0]=4 19572 B13R0.147 CCC(=O)NCCOCCCCOC 34a_200000158885_100000755781 [0,2,0,0,0,0|2,0,0]=4 19573 B13R0.147 CCC(=O)NCCOCCCCOC 7a_200000158885_100000730899 [0,2,0,0,0,0|2,0,0]=4 19574 B13R0.147 CCC(=O)OCCOCCCCCF 7a_200000031056_100000729378 [0,2,0,0,0,0|2,0,0]=4 19575 B13R0.147 CCC(=O)OCCOCCCCCO 7a_200000031056_100000746330 [0,2,0,0,0,0|2,0,0]=4 19576 B13R0.147 CCC(=O)OCCOCCCCOC 7a_200000031056_100000730899 [0,2,0,0,0,0|2,0,0]=4 19577 B13R0.147 CCC/C=C/COCCCC(=O)NC 34a_100016278788_100000741757 [0,2,0,0,0,0|0,0,2]=4 19578 B13R0.147 CCC/C=C/COCCCC(=O)NC 7a_100016278788_100000741757 [0,2,0,0,0,0|0,0,2]=4 19579 B13R0.147 CCC/C=C/COCCCC(=O)OC 34a_100016278788_100000742333 [0,2,0,0,0,0|0,0,2]=4 19580 B13R0.147 CCC/C=C/COCCCC(=O)OC 7a_100016278788_100011218270 [0,2,0,0,0,0|0,0,2]=4 19581 B13R0.147 CCCC#CCCOCCC(=O)NC 34a_100000042726_100012179268 [0,2,0,0,0,0|0,0,2]=4 19582 B13R0.147 CCCC#CCCOCCC(=O)NC 7a_100000042726_100000737683 [0,2,0,0,0,0|0,0,2]=4 19583 B13R0.147 CCCC#CCCOCCC(=O)OC 34a_100000042726_100000742370 [0,2,0,0,0,0|0,0,2]=4 19584 B13R0.147 CCCC#CCCOCCC(=O)OC 7a_100000042726_100000204255 [0,2,0,0,0,0|0,0,2]=4 19585 B13R0.147 CCCC#CCOCCCC(=O)NC 34a_100000034806_100000741757 [0,2,0,0,0,0|0,0,2]=4 19586 B13R0.147 CCCC#CCOCCCC(=O)NC 7a_100000034806_100000741757 [0,2,0,0,0,0|0,0,2]=4 19587 B13R0.147 CCCC#CCOCCCC(=O)OC 34a_100000034806_100000742333 [0,2,0,0,0,0|0,0,2]=4 19588 B13R0.147 CCCC#CCOCCCC(=O)OC 7a_100000034806_100011218270 [0,2,0,0,0,0|0,0,2]=4 19589 B13R0.147 CCCC/C=C/COCCC(=O)NC 34a_200016272032_100012179268 [0,2,0,0,0,0|0,0,2]=4 19590 B13R0.147 CCCC/C=C/COCCC(=O)NC 7a_200016272032_100000737683 [0,2,0,0,0,0|0,0,2]=4 19591 B13R0.147 CCCC/C=C/COCCC(=O)OC 34a_200016272032_100000742370 [0,2,0,0,0,0|0,0,2]=4 19592 B13R0.147 CCCC/C=C/COCCC(=O)OC 7a_200016272032_100000204255 [0,2,0,0,0,0|0,0,2]=4 19593 B13R0.147 CCCC/C=C\CCOCC(=O)CC 7a_200016286491_100000747405 [0,2,0,0,0,0|0,0,2]=4 19594 B13R0.147 CCCC/C=C\CCOCC(=O)NC 34a_200016286491_100000183359 [0,2,0,0,0,0|0,0,2]=4 19595 B13R0.147 CCCC/C=C\CCOCC(=O)NC 7a_200016286491_100000183359 [0,2,0,0,0,0|0,0,2]=4 19596 B13R0.147 CCCC/C=C\CCOCC(=O)OC 34a_200016286491_100000747449 [0,2,0,0,0,0|0,0,2]=4 19597 B13R0.147 CCCC/C=C\CCOCC(=O)OC 7a_200016286491_100000747449 [0,2,0,0,0,0|0,0,2]=4 19598 B13R0.147 CCCCC#CCCOCC(=O)CC 7a_100000037610_100000747405 [0,2,0,0,0,0|0,0,2]=4 19599 B13R0.147 CCCCC#CCCOCC(=O)NC 34a_100000037610_100000183359 [0,2,0,0,0,0|0,0,2]=4 19600 B13R0.147 CCCCC#CCCOCC(=O)NC 7a_100000037610_100000183359 [0,2,0,0,0,0|0,0,2]=4 19601 B13R0.147 CCCCC#CCCOCC(=O)OC 34a_100000037610_100000747449 [0,2,0,0,0,0|0,0,2]=4 19602 B13R0.147 CCCCC#CCCOCC(=O)OC 7a_100000037610_100000747449 [0,2,0,0,0,0|0,0,2]=4 19603 B13R0.147 CCCCC#CCOCCC(=O)NC 34a_200000034558_100012179268 [0,2,0,0,0,0|0,0,2]=4 19604 B13R0.147 CCCCC#CCOCCC(=O)NC 7a_200000034558_100000737683 [0,2,0,0,0,0|0,0,2]=4 19605 B13R0.147 CCCCC#CCOCCC(=O)OC 34a_200000034558_100000742370 [0,2,0,0,0,0|0,0,2]=4 19606 B13R0.147 CCCCC#CCOCCC(=O)OC 7a_200000034558_100000204255 [0,2,0,0,0,0|0,0,2]=4 19607 B13R0.147 CCCCC/C=C/COCC(=O)CC 7a_100016258190_100000747405 [0,2,0,0,0,0|0,0,2]=4 19608 B13R0.147 CCCCC/C=C/COCC(=O)NC 34a_100016258190_100000183359 [0,2,0,0,0,0|0,0,2]=4 19609 B13R0.147 CCCCC/C=C/COCC(=O)NC 7a_100016258190_100000183359 [0,2,0,0,0,0|0,0,2]=4 19610 B13R0.147 CCCCC/C=C/COCC(=O)OC 34a_100016258190_100000747449 [0,2,0,0,0,0|0,0,2]=4 19611 B13R0.147 CCCCC/C=C/COCC(=O)OC 7a_100016258190_100000747449 [0,2,0,0,0,0|0,0,2]=4 19612 B13R0.147 CCCCCC#CCNCC(=O)NC 2230a_100000693194_100009816472 [0,2,0,0,0,0|0,0,2]=4 19613 B13R0.147 CCCCCC#CCOCC(=O)CC 34a_100000725409_100009816472 [0,2,0,0,0,0|0,0,2]=4 19614 B13R0.147 CCCCCC#CCOCC(=O)CC 7a_200000033628_100000747405 [0,2,0,0,0,0|0,0,2]=4 19615 B13R0.147 CCCCCC#CCOCC(=O)NC 34a_100000750040_100009816472 [0,2,0,0,0,0|0,0,2]=4 19616 B13R0.147 CCCCCC#CCOCC(=O)NC 34a_200000033628_100000183359 [0,2,0,0,0,0|0,0,2]=4 19617 B13R0.147 CCCCCC#CCOCC(=O)NC 7a_200000033628_100000183359 [0,2,0,0,0,0|0,0,2]=4 19618 B13R0.147 CCCCCC#CCOCC(=O)OC 34a_200000033628_100000747449 [0,2,0,0,0,0|0,0,2]=4 19619 B13R0.147 CCCCCC#CCOCC(=O)OC 7a_200000033628_100000747449 [0,2,0,0,0,0|0,0,2]=4 19620 B13R0.147 CCCCCC#CCSCC(=O)CC 62a_100000747405_100009816472 [0,2,0,0,0,0|0,0,2]=4 19621 B13R0.147 CCCCCC#CCSCC(=O)CC 62a_100009816472_100000747405 [0,2,0,0,0,0|0,0,2]=4 19622 B13R0.147 CCCCCC#CCSCC(=O)NC 62a_100000183359_100009816472 [0,2,0,0,0,0|0,0,2]=4 19623 B13R0.147 CCCCCC#CCSCC(=O)NC 62a_100009816472_100000183359 [0,2,0,0,0,0|0,0,2]=4 19624 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100000747449_100009816472 [0,2,0,0,0,0|0,0,2]=4 19625 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100009816472_100000747449 [0,2,0,0,0,0|0,0,2]=4 19626 B13R0.147 CCCCCCCC=NNC(=O)CC 4a_100000183195_100000210592 [0,2,0,0,0,0|1,0,1]=4 19627 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|0,0,1]=3 19628 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|0,0,1]=3 19629 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|0,0,1]=3 19630 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|0,0,1]=3 19631 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|0,0,1]=3 19632 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|0,0,0]=2 19633 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|0,0,0]=2 19634 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|0,0,0]=2 19635 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,0]=2 19636 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,2,0,0,0,0|0,0,0]=2 19637 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,2,0,0,0,0|0,0,0]=2 19638 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,2,0,0,0,0|0,0,0]=2 19639 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [0,2,0,0,0,0|1,0,1]=4 19640 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,2,0,0,0,0|0,0,2]=4 19641 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,2,0,0,0,0|0,0,2]=4 19642 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,2,0,0,0,0|0,0,2]=4 19643 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,2,0,0,0,0|0,0,2]=4 19644 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [0,2,0,0,0,0|2,0,0]=4 19645 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [0,2,0,0,0,0|2,0,0]=4 19646 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [0,2,0,0,0,0|2,0,0]=4 19647 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [0,2,0,0,0,0|2,0,0]=4 19648 B13R0.147 CCCCCCCCCCN(C)CF 269982a_100000207566_100015361967 [0,2,0,0,0,0|2,0,0]=4 19649 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,2,0,0,0,0|0,0,0]=2 19650 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,2,0,0,0,0|0,0,0]=2 19651 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,2,0,0,0,0|0,0,0]=2 19652 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,2,0,0,0,0|0,0,0]=2 19653 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|0,0,0]=2 19654 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|0,0,0]=2 19655 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,2,0,0,0,0|0,0,0]=2 19656 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,2,0,0,0,0|0,0,0]=2 19657 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,2,0,0,0,0|0,0,0]=2 19658 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,2,0,0,0,0|0,0,0]=2 19659 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,2,0,0,0,0|0,0,0]=2 19660 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,2,0,0,0,0|0,0,0]=2 19661 B13R0.147 CCCCCCCCCNC(C)C#N 2230a_100000212291_100000184139 [0,2,0,0,0,0|1,0,1]=4 19662 B13R0.147 CCCCCCCCCNC(C)C#N 2230a_100000737613_100011214924 [0,2,0,0,0,0|1,0,1]=4 19663 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000209981_100011214924 [0,2,0,0,0,0|1,0,1]=4 19664 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000212291_100000758301 [0,2,0,0,0,0|1,0,1]=4 19665 B13R0.147 CCCCCCCCCNC(C)CC 34a_100000212291_100011215416 [0,2,0,0,0,0|1,0,1]=4 19666 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [0,2,0,0,0,0|0,0,2]=4 19667 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [0,2,0,0,0,0|0,0,2]=4 19668 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [0,2,0,0,0,0|0,0,2]=4 19669 B13R0.147 CCCCCCCCCOC(C)C#N 34a_100011218135_100011214924 [0,2,0,0,0,0|1,0,1]=4 19670 B13R0.147 CCCCCCCCCOC(C)C#N 7a_100000210712_100000703298 [0,2,0,0,0,0|1,0,1]=4 19671 B13R0.147 CCCCCCCCCOC(C)CC 34a_100000210712_100011215416 [0,2,0,0,0,0|1,0,1]=4 19672 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210228_100000210328 [0,2,0,0,0,0|1,0,1]=4 19673 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210712_100000758301 [0,2,0,0,0,0|1,0,1]=4 19674 B13R0.147 CCCCCCCCCOC(C)CF 34a_100016041109_100011214924 [0,2,0,0,0,0|1,0,1]=4 19675 B13R0.147 CCCCCCCCCOC(C)CF 7a_100016041109_100000210328 [0,2,0,0,0,0|1,0,1]=4 19676 B13R0.147 CCCCCCCCCOC(C)CN 34a_100000210904_100011214924 [0,2,0,0,0,0|1,0,1]=4 19677 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 19678 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 19679 B13R0.147 CCCCCCCCCSC(C)C#N 62a_100000703298_100000210670 [0,2,0,0,0,0|1,0,1]=4 19680 B13R0.147 CCCCCCCCCSC(C)CC 62a_100000758301_100000210670 [0,2,0,0,0,0|1,0,1]=4 19681 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [0,2,0,0,0,0|0,0,2]=4 19682 B13R0.147 CCCCCCCCCSC(C)OC 62a_100009879195_100000210670 [0,2,0,0,0,0|0,0,2]=4 19683 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [0,2,0,0,0,0|0,0,2]=4 19684 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,2,0,0,0,0|0,0,0]=2 19685 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,2,0,0,0,0|0,0,0]=2 19686 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,2,0,0,0,0|0,0,0]=2 19687 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|0,0,0]=2 19688 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|0,0,0]=2 19689 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100000229939_100000748023 [0,2,0,0,0,0|1,0,1]=4 19690 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100020588543_100000210759 [0,2,0,0,0,0|1,0,1]=4 19691 B13R0.147 CCCCCCCCNCC(C)CC 270004a_100000229939_100000243153 [0,2,0,0,0,0|1,0,1]=4 19692 B13R0.147 CCCCCCCCNCC(C)CC 34a_100000229939_100000748023 [0,2,0,0,0,0|1,0,1]=4 19693 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [0,2,0,0,0,0|0,0,2]=4 19694 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [0,2,0,0,0,0|0,0,2]=4 19695 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [0,2,0,0,0,0|0,0,2]=4 19696 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [0,2,0,0,0,0|0,0,2]=4 19697 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 19698 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 19699 B13R0.147 CCCCCCCCNC[C@@H](C)CC 2230a_100000229939_100009816398 [0,2,0,0,0,0|1,0,1]=4 19700 B13R0.147 CCCCCCCCNC[C@@H](C)CC 34a_100000229939_100009816398 [0,2,0,0,0,0|1,0,1]=4 19701 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [0,2,0,0,0,0|0,0,2]=4 19702 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [0,2,0,0,0,0|0,0,2]=4 19703 B13R0.147 CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210759 [0,2,0,0,0,0|0,0,2]=4 19704 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [0,2,0,0,0,0|1,0,1]=4 19705 B13R0.147 CCCCCCCCNC[C@@H](O)CF 2230a_100000229939_100015614560 [0,2,0,0,0,0|0,0,2]=4 19706 B13R0.147 CCCCCCCCNC[C@@H](O)CF 34a_100000229939_100015614560 [0,2,0,0,0,0|0,0,2]=4 19707 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 19708 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 19709 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [0,2,0,0,0,0|0,0,2]=4 19710 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,2,0,0,0,0|0,0,0]=2 19711 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,2,0,0,0,0|0,0,0]=2 19712 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,2,0,0,0,0|0,0,0]=2 19713 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,2,0,0,0,0|0,0,0]=2 19714 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,2,0,0,0,0|0,0,0]=2 19715 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,2,0,0,0,0|0,0,0]=2 19716 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,2,0,0,0,0|0,0,0]=2 19717 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,2,0,0,0,0|0,0,0]=2 19718 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,2,0,0,0,0|0,0,0]=2 19719 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,2,0,0,0,0|0,0,0]=2 19720 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,2,0,0,0,0|0,0,0]=2 19721 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|0,0,0]=2 19722 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|0,0,0]=2 19723 B13R0.147 CCCCCCCCOCC(C)CC 34a_100000210232_100000748023 [0,2,0,0,0,0|1,0,1]=4 19724 B13R0.147 CCCCCCCCOCC(C)CC 7a_100000210232_100000748023 [0,2,0,0,0,0|1,0,1]=4 19725 B13R0.147 CCCCCCCCOCC(C)CN 34a_100000744482_100000210759 [0,2,0,0,0,0|1,0,1]=4 19726 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,2,0,0,0,0|0,0,2]=4 19727 B13R0.147 CCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210759 [0,2,0,0,0,0|1,0,1]=4 19728 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [0,2,0,0,0,0|0,0,2]=4 19729 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [0,2,0,0,0,0|0,0,2]=4 19730 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 19731 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 19732 B13R0.147 CCCCCCCCOC[C@@H](C)CC 34a_100000210232_100009816398 [0,2,0,0,0,0|1,0,1]=4 19733 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100000210232_100009816398 [0,2,0,0,0,0|1,0,1]=4 19734 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210759 [0,2,0,0,0,0|1,0,1]=4 19735 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 19736 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 19737 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [0,2,0,0,0,0|0,0,2]=4 19738 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [0,2,0,0,0,0|0,0,2]=4 19739 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 19740 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 19741 B13R0.147 CCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210759 [0,2,0,0,0,0|1,0,1]=4 19742 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,2,0,0,0,0|0,0,0]=2 19743 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,2,0,0,0,0|0,0,0]=2 19744 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,2,0,0,0,0|0,0,0]=2 19745 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,2,0,0,0,0|0,0,0]=2 19746 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|0,0,0]=2 19747 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|0,0,0]=2 19748 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000210759_100000748023 [0,2,0,0,0,0|1,0,1]=4 19749 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000748023_100000210317 [0,2,0,0,0,0|1,0,1]=4 19750 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [0,2,0,0,0,0|0,0,2]=4 19751 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [0,2,0,0,0,0|0,0,2]=4 19752 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [0,2,0,0,0,0|0,0,2]=4 19753 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [0,2,0,0,0,0|0,0,2]=4 19754 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100000210759_100009816398 [0,2,0,0,0,0|1,0,1]=4 19755 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210317 [0,2,0,0,0,0|1,0,1]=4 19756 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [0,2,0,0,0,0|0,0,2]=4 19757 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [0,2,0,0,0,0|0,0,2]=4 19758 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100000210759_100015614560 [0,2,0,0,0,0|0,0,2]=4 19759 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210317 [0,2,0,0,0,0|0,0,2]=4 19760 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [0,2,0,0,0,0|0,0,2]=4 19761 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [0,2,0,0,0,0|0,0,2]=4 19762 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [0,2,0,0,0,0|0,0,0]=2 19763 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [0,2,0,0,0,0|0,0,0]=2 19764 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [0,2,0,0,0,0|0,0,0]=2 19765 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|0,0,0]=2 19766 B13R0.147 CCCCCCCNCCC(C)CC 2230a_100020591266_100000210681 [0,2,0,0,0,0|1,0,1]=4 19767 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [0,2,0,0,0,0|0,0,2]=4 19768 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [0,2,0,0,0,0|0,0,2]=4 19769 B13R0.147 CCCCCCCOCCC(=NO)N 34a_100000749954_100000210614 [0,2,0,0,0,0|1,0,1]=4 19770 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [0,2,0,0,0,0|0,0,0]=2 19771 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [0,2,0,0,0,0|0,0,0]=2 19772 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [0,2,0,0,0,0|0,0,0]=2 19773 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|0,0,0]=2 19774 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|0,0,0]=2 19775 B13R0.147 CCCCCCCOCCC(C)CC 7a_100011215188_100000210614 [0,2,0,0,0,0|1,0,1]=4 19776 B13R0.147 CCCCCCCOCCC(C)OC 7a_100000764861_100000210614 [0,2,0,0,0,0|0,0,2]=4 19777 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [0,2,0,0,0,0|0,0,0]=2 19778 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [0,2,0,0,0,0|0,0,0]=2 19779 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|0,0,0]=2 19780 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|0,0,0]=2 19781 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,2,0,0,0,0|1,0,0]=3 19782 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,2,0,0,0,0|0,0,2]=4 19783 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [0,2,0,0,0,0|0,0,0]=2 19784 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [0,2,0,0,0,0|0,0,0]=2 19785 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [0,2,0,0,0,0|0,0,0]=2 19786 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|0,0,0]=2 19787 B13R0.147 CCCCCCNCCCN(C)CC 2230a_100000210581_100015186262 [0,2,0,0,0,0|2,0,0]=4 19788 B13R0.147 CCCCCCNCCNC(=O)CC 34a_100132302217_100000210314 [0,2,0,0,0,0|1,0,0]=3 19789 B13R0.147 CCCCCCNCCNC(=O)NC 34a_100015205895_100000210314 [0,2,0,0,0,0|1,0,0]=3 19790 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,2,0,0,0,0|0,0,2]=4 19791 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,2,0,0,0,0|0,0,2]=4 19792 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [0,2,0,0,0,0|0,0,0]=2 19793 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [0,2,0,0,0,0|0,0,0]=2 19794 B13R0.147 CCCCCCOCCCC(=O)NN 34a_100000211488_100000210314 [0,2,0,0,0,0|1,0,0]=3 19795 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|0,0,0]=2 19796 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|0,0,0]=2 19797 B13R0.147 CCCCCCOCCCC(C)CC 7a_100011216074_100000210314 [0,2,0,0,0,0|1,0,1]=4 19798 B13R0.147 CCCCCCOCCCN(C)CC 7a_100000210259_100015186262 [0,2,0,0,0,0|2,0,0]=4 19799 B13R0.147 CCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210314 [0,2,0,0,0,0|1,0,1]=4 19800 B13R0.147 CCCCCCOCCNC(=O)CC 34a_200000158885_100000210314 [0,2,0,0,0,0|1,0,0]=3 19801 B13R0.147 CCCCCCOCCNC(=O)CC 7a_200000158885_100000210314 [0,2,0,0,0,0|1,0,0]=3 19802 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,2,0,0,0,0|1,0,0]=3 19803 B13R0.147 CCCCCCOCCOC(=O)CC 7a_200000031056_100000210314 [0,2,0,0,0,0|1,0,0]=3 19804 B13R0.147 CCCCCCOCCOC(=O)NC 34a_100000210259_200011997002 [0,2,0,0,0,0|1,0,0]=3 19805 B13R0.147 CCCCCCOCCOC(=O)NC 7a_100000210259_200011997002 [0,2,0,0,0,0|1,0,0]=3 19806 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,2,0,0,0,0|1,0,0]=3 19807 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,2,0,0,0,0|0,0,2]=4 19808 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,2,0,0,0,0|0,0,2]=4 19809 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [0,2,0,0,0,0|0,0,0]=2 19810 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [0,2,0,0,0,0|0,0,0]=2 19811 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|0,0,0]=2 19812 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|0,0,0]=2 19813 B13R0.147 CCCCCCSCCCN(C)CC 62a_100000210314_100015186262 [0,2,0,0,0,0|2,0,0]=4 19814 B13R0.147 CCCCCCSCCOC(=O)NC 62a_100000210314_200011997002 [0,2,0,0,0,0|1,0,0]=3 19815 B13R0.147 CCCCCCSCCOC(=O)NC 62a_200011997002_100000210757 [0,2,0,0,0,0|1,0,0]=3 19816 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|0,0,0]=2 19817 B13R0.147 CCCCCNCCOCC(=O)NC 34a_100000224656_100000183359 [0,2,0,0,0,0|1,0,0]=3 19818 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,2,0,0,0,0|1,0,0]=3 19819 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,2,0,0,0,0|1,0,0]=3 19820 B13R0.147 CCCCCNN=CCCC(=O)OC 4a_100000694160_100012047195 [0,2,0,0,0,0|1,0,1]=4 19821 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|0,0,0]=2 19822 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|0,0,0]=2 19823 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|0,0,0]=2 19824 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|0,0,0]=2 19825 B13R0.147 CCCCCOCCOCC(=O)CC 7a_100011215259_100000747405 [0,2,0,0,0,0|1,0,0]=3 19826 B13R0.147 CCCCCOCCOCC(=O)NC 34a_100011215259_100000183359 [0,2,0,0,0,0|1,0,0]=3 19827 B13R0.147 CCCCCOCCOCC(=O)NC 7a_100011215259_100000183359 [0,2,0,0,0,0|1,0,0]=3 19828 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|1,0,0]=3 19829 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|1,0,0]=3 19830 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|1,0,0]=3 19831 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|1,0,0]=3 19832 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|0,0,0]=2 19833 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|0,0,0]=2 19834 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,2,0,0,0,0|1,0,0]=3 19835 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,2,0,0,0,0|1,0,0]=3 19836 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|0,0,0]=2 19837 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|0,0,0]=2 19838 B13R0.147 CCCCNN=CCCCC(=O)OC 4a_100025702795_100000094087 [0,2,0,0,0,0|1,0,1]=4 19839 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|0,0,0]=2 19840 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|0,0,0]=2 19841 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|0,0,0]=2 19842 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|0,0,0]=2 19843 B13R0.147 CCCCOCCCCCC(C)CC 7a_200000035636_100000210211 [0,2,0,0,0,0|1,0,1]=4 19844 B13R0.147 CCCCOCCCNCC(=O)NC 2230a_200000211371_100000183359 [0,2,0,0,0,0|1,0,0]=3 19845 B13R0.147 CCCCOCCCNCC(=O)NC 34a_200000211371_100000183359 [0,2,0,0,0,0|1,0,0]=3 19846 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,2,0,0,0,0|1,0,0]=3 19847 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,2,0,0,0,0|1,0,0]=3 19848 B13R0.147 CCCCOCCCOCC(=O)CC 7a_200011215613_100000747405 [0,2,0,0,0,0|1,0,0]=3 19849 B13R0.147 CCCCOCCCOCC(=O)NC 34a_200011215613_100000183359 [0,2,0,0,0,0|1,0,0]=3 19850 B13R0.147 CCCCOCCCOCC(=O)NC 7a_200011215613_100000183359 [0,2,0,0,0,0|1,0,0]=3 19851 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,2,0,0,0,0|1,0,0]=3 19852 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,2,0,0,0,0|1,0,0]=3 19853 B13R0.147 CCCCOCCNCCC(=O)NC 2230a_100000738227_100000743108 [0,2,0,0,0,0|1,0,0]=3 19854 B13R0.147 CCCCOCCNCCC(=O)NC 34a_100000738227_100000743108 [0,2,0,0,0,0|1,0,0]=3 19855 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000210238_100012179268 [0,2,0,0,0,0|1,0,0]=3 19856 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000754576_100000743108 [0,2,0,0,0,0|1,0,0]=3 19857 B13R0.147 CCCCOCCOCCC(=O)NC 7a_100000210238_100000737683 [0,2,0,0,0,0|1,0,0]=3 19858 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,2,0,0,0,0|1,0,0]=3 19859 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,2,0,0,0,0|1,0,0]=3 19860 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000737683_100000743108 [0,2,0,0,0,0|1,0,0]=3 19861 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000743108_100000737683 [0,2,0,0,0,0|1,0,0]=3 19862 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,2,0,0,0,0|1,0,0]=3 19863 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,2,0,0,0,0|1,0,0]=3 19864 B13R0.147 CCCCOCCSCOC(=O)OC 62a_100000743108_100000139417 [0,2,0,0,0,0|2,0,0]=4 19865 B13R0.147 CCCCOCNCCCC(=O)NC 2230a_100000740002_100011995733 [0,2,0,0,0,0|1,0,0]=3 19866 B13R0.147 CCCCOCNCCCC(=O)NC 34a_100000740002_100011995733 [0,2,0,0,0,0|1,0,0]=3 19867 B13R0.147 CCCCOCNCCNC(=O)CC 34a_100132302217_100011995733 [0,2,0,0,0,0|2,0,0]=4 19868 B13R0.147 CCCCOCNCCNC(=O)NC 34a_100015205895_100011995733 [0,2,0,0,0,0|2,0,0]=4 19869 B13R0.147 CCCCOCOCCCC(=O)NN 34a_100000211488_100011995733 [0,2,0,0,0,0|2,0,0]=4 19870 B13R0.147 CCCCOCOCCNC(=O)CC 34a_200000158885_100011995733 [0,2,0,0,0,0|2,0,0]=4 19871 B13R0.147 CCCCOCOCCNC(=O)OC 34a_100000757965_100011995733 [0,2,0,0,0,0|2,0,0]=4 19872 B13R0.147 CCCCOCOCCOC(=O)OC 34a_100010262106_100011995733 [0,2,0,0,0,0|2,0,0]=4 19873 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100000741757_100011995733 [0,2,0,0,0,0|1,0,0]=3 19874 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100011995733_100000741757 [0,2,0,0,0,0|1,0,0]=3 19875 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,2,0,0,0,0|1,0,0]=3 19876 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,2,0,0,0,0|1,0,0]=3 19877 B13R0.147 CCCCOCSCCOC(=O)NC 62a_100011995733_200011997002 [0,2,0,0,0,0|2,0,0]=4 19878 B13R0.147 CCCCOCSCCOC(=O)NC 62a_200011997002_100011995733 [0,2,0,0,0,0|2,0,0]=4 19879 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|0,0,0]=2 19880 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|0,0,0]=2 19881 B13R0.147 CCCCSCCNCCC(=O)NC 2230a_100025743550_100000737683 [0,2,0,0,0,0|1,0,0]=3 19882 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,2,0,0,0,0|1,0,0]=3 19883 B13R0.147 CCCCSCCOCCC(=O)NC 34a_200000230436_100012179268 [0,2,0,0,0,0|1,0,0]=3 19884 B13R0.147 CCCCSCCOCCC(=O)NC 7a_200000230436_100000737683 [0,2,0,0,0,0|1,0,0]=3 19885 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,2,0,0,0,0|1,0,0]=3 19886 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,2,0,0,0,0|1,0,0]=3 19887 B13R0.147 CCCNN=CCCCCC(=O)OC 4a_100000740057_100000052768 [0,2,0,0,0,0|1,0,1]=4 19888 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|0,0,0]=2 19889 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|0,0,0]=2 19890 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|0,0,0]=2 19891 B13R0.147 CCCOCCCNCCC(=O)NC 2230a_100011217757_100000737683 [0,2,0,0,0,0|1,0,0]=3 19892 B13R0.147 CCCOCCCNCCC(=O)NC 34a_100011217757_100012179268 [0,2,0,0,0,0|1,0,0]=3 19893 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,2,0,0,0,0|1,0,0]=3 19894 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,2,0,0,0,0|1,0,0]=3 19895 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100000740002_100011215938 [0,2,0,0,0,0|1,0,0]=3 19896 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100161115042_100000741757 [0,2,0,0,0,0|1,0,0]=3 19897 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100000740002_100011215938 [0,2,0,0,0,0|1,0,0]=3 19898 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100161115042_100000741757 [0,2,0,0,0,0|1,0,0]=3 19899 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,2,0,0,0,0|1,0,0]=3 19900 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,2,0,0,0,0|1,0,0]=3 19901 B13R0.147 CCCOCCNCCNC(=O)CC 34a_100132302217_100011215938 [0,2,0,0,0,0|2,0,0]=4 19902 B13R0.147 CCCOCCNCCNC(=O)NC 34a_100015205895_100011215938 [0,2,0,0,0,0|2,0,0]=4 19903 B13R0.147 CCCOCCNCCOC(=O)NC 34a_100161115042_200011997002 [0,2,0,0,0,0|2,0,0]=4 19904 B13R0.147 CCCOCCOCCCC(=O)NC 34a_100000752267_100000741757 [0,2,0,0,0,0|1,0,0]=3 19905 B13R0.147 CCCOCCOCCCC(=O)NC 7a_100000752267_100000741757 [0,2,0,0,0,0|1,0,0]=3 19906 B13R0.147 CCCOCCOCCCC(=O)NN 34a_100000211488_100011215938 [0,2,0,0,0,0|2,0,0]=4 19907 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,2,0,0,0,0|1,0,0]=3 19908 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,2,0,0,0,0|1,0,0]=3 19909 B13R0.147 CCCOCCOCCNC(=O)CC 11a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 19910 B13R0.147 CCCOCCOCCNC(=O)CC 1626a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 19911 B13R0.147 CCCOCCOCCNC(=O)CC 240690a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 19912 B13R0.147 CCCOCCOCCNC(=O)CC 34a_200000158885_100011215938 [0,2,0,0,0,0|2,0,0]=4 19913 B13R0.147 CCCOCCOCCNC(=O)CC 7a_200000158885_100011215938 [0,2,0,0,0,0|2,0,0]=4 19914 B13R0.147 CCCOCCOCCNC(=O)CO 240690a_200011904461_100000210174 [0,2,0,0,0,0|2,0,0]=4 19915 B13R0.147 CCCOCCOCCNC(=O)NC 2708a_100102657272_200011904461 [0,2,0,0,0,0|2,0,0]=4 19916 B13R0.147 CCCOCCOCCNC(=O)NC 2708a_200011904461_106832991635 [0,2,0,0,0,0|2,0,0]=4 19917 B13R0.147 CCCOCCOCCNC(=O)NC 273464a_100102657272_200011904461 [0,2,0,0,0,0|2,0,0]=4 19918 B13R0.147 CCCOCCOCCNC(=O)NC 273464a_200011904461_100102657272 [0,2,0,0,0,0|2,0,0]=4 19919 B13R0.147 CCCOCCOCCNC(=O)NC 512a_200011904461_100102657272 [0,2,0,0,0,0|2,0,0]=4 19920 B13R0.147 CCCOCCOCCNC(=O)OC 34a_100000757965_100011215938 [0,2,0,0,0,0|2,0,0]=4 19921 B13R0.147 CCCOCCOCCOC(=O)CC 7a_200000031056_100011215938 [0,2,0,0,0,0|2,0,0]=4 19922 B13R0.147 CCCOCCOCCOC(=O)NC 34a_100000752267_200011997002 [0,2,0,0,0,0|2,0,0]=4 19923 B13R0.147 CCCOCCOCCOC(=O)NC 7a_100000752267_200011997002 [0,2,0,0,0,0|2,0,0]=4 19924 B13R0.147 CCCOCCOCCOC(=O)OC 34a_100010262106_100011215938 [0,2,0,0,0,0|2,0,0]=4 19925 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100000741757_100011215938 [0,2,0,0,0,0|1,0,0]=3 19926 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100011215938_100000741757 [0,2,0,0,0,0|1,0,0]=3 19927 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,2,0,0,0,0|1,0,0]=3 19928 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,2,0,0,0,0|1,0,0]=3 19929 B13R0.147 CCCOCCSCCOC(=O)NC 62a_100011215938_200011997002 [0,2,0,0,0,0|2,0,0]=4 19930 B13R0.147 CCCOCCSCCOC(=O)NC 62a_200011997002_100011215938 [0,2,0,0,0,0|2,0,0]=4 19931 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|0,0,0]=2 19932 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|0,0,0]=2 19933 B13R0.147 CCCSCCNCCCC(=O)NC 2230a_100020603323_100000741757 [0,2,0,0,0,0|1,0,0]=3 19934 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,2,0,0,0,0|1,0,0]=3 19935 B13R0.147 CCCSCCOCCCC(=O)NC 34a_200000230433_100000741757 [0,2,0,0,0,0|1,0,0]=3 19936 B13R0.147 CCCSCCOCCCC(=O)NC 7a_200000230433_100000741757 [0,2,0,0,0,0|1,0,0]=3 19937 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,2,0,0,0,0|1,0,0]=3 19938 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,2,0,0,0,0|1,0,0]=3 19939 B13R0.147 CCCSCCOCCOC(=O)NC 34a_200000230433_200011997002 [0,2,0,0,0,0|2,0,0]=4 19940 B13R0.147 CCCSCCOCCOC(=O)NC 7a_200000230433_200011997002 [0,2,0,0,0,0|2,0,0]=4 19941 B13R0.147 CCN(C)CCCCCCCCCO 2230a_100000225621_100009813782 [0,2,0,0,0,0|2,0,0]=4 19942 B13R0.147 CCN(C)CCCCCCCCCO 269982a_100000225621_100009813782 [0,2,0,0,0,0|2,0,0]=4 19943 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|0,0,0]=2 19944 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|0,0,0]=2 19945 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|0,0,0]=2 19946 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|0,0,0]=2 19947 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000210961_100000741757 [0,2,0,0,0,0|1,0,0]=3 19948 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000740002_100012232248 [0,2,0,0,0,0|1,0,0]=3 19949 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000210961_100000741757 [0,2,0,0,0,0|1,0,0]=3 19950 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000740002_100012232248 [0,2,0,0,0,0|1,0,0]=3 19951 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,2,0,0,0,0|1,0,0]=3 19952 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,2,0,0,0,0|1,0,0]=3 19953 B13R0.147 CCOCCCNCCNC(=O)CC 34a_100132302217_100012232248 [0,2,0,0,0,0|2,0,0]=4 19954 B13R0.147 CCOCCCNCCNC(=O)NC 34a_100015205895_100012232248 [0,2,0,0,0,0|2,0,0]=4 19955 B13R0.147 CCOCCCNCCOC(=O)NC 34a_100000210961_200011997002 [0,2,0,0,0,0|2,0,0]=4 19956 B13R0.147 CCOCCCOCCCC(=O)NC 34a_100000757476_100000741757 [0,2,0,0,0,0|1,0,0]=3 19957 B13R0.147 CCOCCCOCCCC(=O)NC 7a_100000757476_100000741757 [0,2,0,0,0,0|1,0,0]=3 19958 B13R0.147 CCOCCCOCCCC(=O)NN 34a_100000211488_100012232248 [0,2,0,0,0,0|2,0,0]=4 19959 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,2,0,0,0,0|1,0,0]=3 19960 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,2,0,0,0,0|1,0,0]=3 19961 B13R0.147 CCOCCCOCCNC(=O)CC 34a_200000158885_100012232248 [0,2,0,0,0,0|2,0,0]=4 19962 B13R0.147 CCOCCCOCCNC(=O)CC 7a_200000158885_100012232248 [0,2,0,0,0,0|2,0,0]=4 19963 B13R0.147 CCOCCCOCCNC(=O)OC 34a_100000757965_100012232248 [0,2,0,0,0,0|2,0,0]=4 19964 B13R0.147 CCOCCCOCCOC(=O)CC 7a_200000031056_100012232248 [0,2,0,0,0,0|2,0,0]=4 19965 B13R0.147 CCOCCCOCCOC(=O)NC 34a_100000757476_200011997002 [0,2,0,0,0,0|2,0,0]=4 19966 B13R0.147 CCOCCCOCCOC(=O)NC 7a_100000757476_200011997002 [0,2,0,0,0,0|2,0,0]=4 19967 B13R0.147 CCOCCCOCCOC(=O)OC 34a_100010262106_100012232248 [0,2,0,0,0,0|2,0,0]=4 19968 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100000741757_100012232248 [0,2,0,0,0,0|1,0,0]=3 19969 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100012232248_100000741757 [0,2,0,0,0,0|1,0,0]=3 19970 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,2,0,0,0,0|1,0,0]=3 19971 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,2,0,0,0,0|1,0,0]=3 19972 B13R0.147 CCOCCCSCCOC(=O)NC 62a_100012232248_200011997002 [0,2,0,0,0,0|2,0,0]=4 19973 B13R0.147 CCOCCCSCCOC(=O)NC 62a_200011997002_100012232248 [0,2,0,0,0,0|2,0,0]=4 19974 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,2,0,0,0,0|1,0,0]=3 19975 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,2,0,0,0,0|1,0,0]=3 19976 B13R0.147 CCOCCNCCOCC(=O)OC 2230a_102516460346_100000090808 [0,2,0,0,0,0|2,0,0]=4 19977 B13R0.147 CCOCCNCCOCC(=O)OC 34a_102516460346_100000090808 [0,2,0,0,0,0|2,0,0]=4 19978 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,2,0,0,0,0|1,0,0]=3 19979 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,2,0,0,0,0|1,0,0]=3 19980 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,2,0,0,0,0|1,0,0]=3 19981 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,2,0,0,0,0|1,0,0]=3 19982 B13R0.147 CCOCCOCCNCC(=O)NC 2230a_100000693194_100011211534 [0,2,0,0,0,0|2,0,0]=4 19983 B13R0.147 CCOCCOCCNCC(=O)NC 2230a_100102712874_100000183359 [0,2,0,0,0,0|2,0,0]=4 19984 B13R0.147 CCOCCOCCNCC(=O)NC 34a_100102712874_100000183359 [0,2,0,0,0,0|2,0,0]=4 19985 B13R0.147 CCOCCOCCNCC(=O)OC 2230a_100102712874_100000747449 [0,2,0,0,0,0|2,0,0]=4 19986 B13R0.147 CCOCCOCCNCC(=O)OC 34a_100102712874_100000747449 [0,2,0,0,0,0|2,0,0]=4 19987 B13R0.147 CCOCCOCCOCC(=O)CC 34a_100000725409_100011211534 [0,2,0,0,0,0|2,0,0]=4 19988 B13R0.147 CCOCCOCCOCC(=O)CC 7a_100000210240_100000747405 [0,2,0,0,0,0|2,0,0]=4 19989 B13R0.147 CCOCCOCCOCC(=O)NC 34a_100000210240_100000183359 [0,2,0,0,0,0|2,0,0]=4 19990 B13R0.147 CCOCCOCCOCC(=O)NC 34a_100000750040_100011211534 [0,2,0,0,0,0|2,0,0]=4 19991 B13R0.147 CCOCCOCCOCC(=O)NC 7a_100000210240_100000183359 [0,2,0,0,0,0|2,0,0]=4 19992 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210136_100000090808 [0,2,0,0,0,0|2,0,0]=4 19993 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210240_100000747449 [0,2,0,0,0,0|2,0,0]=4 19994 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100011023656_100000210202 [0,2,0,0,0,0|2,0,0]=4 19995 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210136_100000090808 [0,2,0,0,0,0|2,0,0]=4 19996 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210240_100000747449 [0,2,0,0,0,0|2,0,0]=4 19997 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100011023656_100000210202 [0,2,0,0,0,0|2,0,0]=4 19998 B13R0.147 CCOCCOCCSCC(=O)CC 62a_100000747405_100011211534 [0,2,0,0,0,0|2,0,0]=4 19999 B13R0.147 CCOCCOCCSCC(=O)CC 62a_100011211534_100000747405 [0,2,0,0,0,0|2,0,0]=4 20000 B13R0.147 CCOCCOCCSCC(=O)NC 62a_100000183359_100011211534 [0,2,0,0,0,0|2,0,0]=4 20001 B13R0.147 CCOCCOCCSCC(=O)NC 62a_100011211534_100000183359 [0,2,0,0,0,0|2,0,0]=4 20002 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100000747449_100011211534 [0,2,0,0,0,0|2,0,0]=4 20003 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100011211534_100000747449 [0,2,0,0,0,0|2,0,0]=4 20004 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,2,0,0,0,0|1,0,0]=3 20005 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,2,0,0,0,0|1,0,0]=3 20006 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000090808_100011215890 [0,2,0,0,0,0|2,0,0]=4 20007 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000210147_100000090808 [0,2,0,0,0,0|2,0,0]=4 20008 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,2,0,0,0,0|1,0,0]=3 20009 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,2,0,0,0,0|1,0,0]=3 20010 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|0,0,0]=2 20011 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|0,0,0]=2 20012 B13R0.147 CCSCCCOCCCC(=O)NC 34a_100011216438_100000741757 [0,2,0,0,0,0|1,0,0]=3 20013 B13R0.147 CCSCCCOCCCC(=O)NC 7a_100011216438_100000741757 [0,2,0,0,0,0|1,0,0]=3 20014 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,2,0,0,0,0|1,0,0]=3 20015 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,2,0,0,0,0|1,0,0]=3 20016 B13R0.147 CCSCCCOCCOC(=O)NC 34a_100011216438_200011997002 [0,2,0,0,0,0|2,0,0]=4 20017 B13R0.147 CCSCCCOCCOC(=O)NC 7a_100011216438_200011997002 [0,2,0,0,0,0|2,0,0]=4 20018 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,2,0,0,0,0|1,0,0]=3 20019 B13R0.147 CCSCCNCCOCC(=O)OC 2230a_100000106463_100000090808 [0,2,0,0,0,0|2,0,0]=4 20020 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,2,0,0,0,0|1,0,0]=3 20021 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,2,0,0,0,0|1,0,0]=3 20022 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,2,0,0,0,0|1,0,0]=3 20023 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,2,0,0,0,0|1,0,0]=3 20024 B13R0.147 CCSCCOCCOCC(=O)OC 34a_100000212035_100000090808 [0,2,0,0,0,0|2,0,0]=4 20025 B13R0.147 CCSCCOCCOCC(=O)OC 7a_100000212035_100000090808 [0,2,0,0,0,0|2,0,0]=4 20026 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,2,0,0,0,0|1,0,0]=3 20027 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,2,0,0,0,0|1,0,0]=3 20028 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000090808_100000757381 [0,2,0,0,0,0|2,0,0]=4 20029 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000757381_100000090808 [0,2,0,0,0,0|2,0,0]=4 20030 B13R0.147 CNC(=O)C=CCCCCCCCO 1626a_100102657272_100016988705 [0,2,0,0,0,0|0,0,2]=4 20031 B13R0.147 CNC(=O)C=CCCCCCCCO 240690a_100102657272_100016988705 [0,2,0,0,0,0|0,0,2]=4 20032 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,2,0,0,0,0|0,0,0]=2 20033 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,2,0,0,0,0|0,0,0]=2 20034 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,2,0,0,0,0|0,0,0]=2 20035 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,2,0,0,0,0|0,0,0]=2 20036 B13R0.147 CNC(=O)CCCNCCCCC#N 2230a_100000740002_100000211819 [0,2,0,0,0,0|1,0,1]=4 20037 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [0,2,0,0,0,0|1,0,1]=4 20038 B13R0.147 CNC(=O)CCCNCCCCCF 2230a_100000740002_100000729378 [0,2,0,0,0,0|1,0,0]=3 20039 B13R0.147 CNC(=O)CCCNCCCCCF 34a_100000740002_100000729378 [0,2,0,0,0,0|1,0,0]=3 20040 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,2,0,0,0,0|1,0,0]=3 20041 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,2,0,0,0,0|1,0,0]=3 20042 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,2,0,0,0,0|1,0,0]=3 20043 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,2,0,0,0,0|1,0,0]=3 20044 B13R0.147 CNC(=O)CCCNCCCCOC 2230a_100000740002_100000730899 [0,2,0,0,0,0|1,0,0]=3 20045 B13R0.147 CNC(=O)CCCNCCCCOC 34a_100000740002_100000755781 [0,2,0,0,0,0|1,0,0]=3 20046 B13R0.147 CNC(=O)CCCNCCOCCO 2230a_100000211614_100000741757 [0,2,0,0,0,0|2,0,0]=4 20047 B13R0.147 CNC(=O)CCCNCCOCCO 2230a_100000740002_100011215305 [0,2,0,0,0,0|2,0,0]=4 20048 B13R0.147 CNC(=O)CCCNCCOCCO 34a_100000211614_100000741757 [0,2,0,0,0,0|2,0,0]=4 20049 B13R0.147 CNC(=O)CCCNCCOCCO 34a_100000740002_100000692535 [0,2,0,0,0,0|2,0,0]=4 20050 B13R0.147 CNC(=O)CCCNCCSCCO 2230a_100011219999_100000741757 [0,2,0,0,0,0|2,0,0]=4 20051 B13R0.147 CNC(=O)CCCNCOCCOC 2230a_100000740002_100000231047 [0,2,0,0,0,0|2,0,0]=4 20052 B13R0.147 CNC(=O)CCCOCCCCCBr 34a_100000746331_100000741757 [0,2,0,0,0,0|1,0,0]=3 20053 B13R0.147 CNC(=O)CCCOCCCCCBr 7a_100000746331_100000741757 [0,2,0,0,0,0|1,0,0]=3 20054 B13R0.147 CNC(=O)CCCOCCCCCCl 34a_100000746330_100000741757 [0,2,0,0,0,0|1,0,0]=3 20055 B13R0.147 CNC(=O)CCCOCCCCCCl 7a_100000746330_100000741757 [0,2,0,0,0,0|1,0,0]=3 20056 B13R0.147 CNC(=O)CCCOCCCCCI 34a_200012148887_100000741757 [0,2,0,0,0,0|1,0,0]=3 20057 B13R0.147 CNC(=O)CCCOCCCCCI 7a_200012148887_100000741757 [0,2,0,0,0,0|1,0,0]=3 20058 B13R0.147 CNC(=O)CCCOCCCCCN 34a_100000762737_100000741757 [0,2,0,0,0,0|1,0,0]=3 20059 B13R0.147 CNC(=O)CCCOCCCCOC 34a_100000740925_100000741757 [0,2,0,0,0,0|1,0,0]=3 20060 B13R0.147 CNC(=O)CCCOCCCCSC 34a_100011217163_100000741757 [0,2,0,0,0,0|1,0,0]=3 20061 B13R0.147 CNC(=O)CCCOCCCCSC 7a_100011217163_100000741757 [0,2,0,0,0,0|1,0,0]=3 20062 B13R0.147 CNC(=O)CCCOCCOCCBr 34a_100000692535_100000741757 [0,2,0,0,0,0|2,0,0]=4 20063 B13R0.147 CNC(=O)CCCOCCOCCBr 7a_100000692535_100000741757 [0,2,0,0,0,0|2,0,0]=4 20064 B13R0.147 CNC(=O)CCCOCCOCCCl 34a_100011215305_100000741757 [0,2,0,0,0,0|2,0,0]=4 20065 B13R0.147 CNC(=O)CCCOCCOCCCl 7a_100011215305_100000741757 [0,2,0,0,0,0|2,0,0]=4 20066 B13R0.147 CNC(=O)CCCOCCOCCF 34a_200015357709_100000741757 [0,2,0,0,0,0|2,0,0]=4 20067 B13R0.147 CNC(=O)CCCOCCOCCF 7a_200015357709_100000741757 [0,2,0,0,0,0|2,0,0]=4 20068 B13R0.147 CNC(=O)CCCOCCOCCI 34a_100012149058_100000741757 [0,2,0,0,0,0|2,0,0]=4 20069 B13R0.147 CNC(=O)CCCOCCOCCI 7a_100012149058_100000741757 [0,2,0,0,0,0|2,0,0]=4 20070 B13R0.147 CNC(=O)CCCOCCOCCN 34a_100000211614_100000741757 [0,2,0,0,0,0|2,0,0]=4 20071 B13R0.147 CNC(=O)CCCSCCCCC#N 62a_100000741757_100000211819 [0,2,0,0,0,0|1,0,1]=4 20072 B13R0.147 CNC(=O)CCCSCCCCC#N 62a_100011219923_100000741757 [0,2,0,0,0,0|1,0,1]=4 20073 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [0,2,0,0,0,0|1,0,1]=4 20074 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [0,2,0,0,0,0|1,0,1]=4 20075 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000729378_100000741757 [0,2,0,0,0,0|1,0,0]=3 20076 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000741757_100000729378 [0,2,0,0,0,0|1,0,0]=3 20077 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,2,0,0,0,0|1,0,0]=3 20078 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,2,0,0,0,0|1,0,0]=3 20079 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000730899_100000741757 [0,2,0,0,0,0|1,0,0]=3 20080 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000741757_100000730899 [0,2,0,0,0,0|1,0,0]=3 20081 B13R0.147 CNC(=O)CCCSCCOCCO 62a_100000741757_100011215305 [0,2,0,0,0,0|2,0,0]=4 20082 B13R0.147 CNC(=O)CCCSCCOCCO 62a_100011215305_100000741757 [0,2,0,0,0,0|2,0,0]=4 20083 B13R0.147 CNC(=O)CCCSCOCCOC 62a_100000231047_100000741757 [0,2,0,0,0,0|2,0,0]=4 20084 B13R0.147 CNC(=O)CCCSCOCCOC 62a_100000741757_100000231047 [0,2,0,0,0,0|2,0,0]=4 20085 B13R0.147 CNC(=O)CCNCCCCCC#N 2230a_100000738227_100009813376 [0,2,0,0,0,0|1,0,1]=4 20086 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [0,2,0,0,0,0|1,0,1]=4 20087 B13R0.147 CNC(=O)CCNCCCCCCF 2230a_100000738227_100015922095 [0,2,0,0,0,0|1,0,0]=3 20088 B13R0.147 CNC(=O)CCNCCCCCCF 34a_100000738227_100015922095 [0,2,0,0,0,0|1,0,0]=3 20089 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,2,0,0,0,0|1,0,0]=3 20090 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,2,0,0,0,0|1,0,0]=3 20091 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,2,0,0,0,0|1,0,0]=3 20092 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,2,0,0,0,0|1,0,0]=3 20093 B13R0.147 CNC(=O)CCNCCCCCOC 2230a_100000747528_100000737683 [0,2,0,0,0,0|1,0,0]=3 20094 B13R0.147 CNC(=O)CCNCCCCCOC 34a_100000747528_100012179268 [0,2,0,0,0,0|1,0,0]=3 20095 B13R0.147 CNC(=O)CCNCCOCCOC 2230a_100000738227_100000695917 [0,2,0,0,0,0|2,0,0]=4 20096 B13R0.147 CNC(=O)CCNCCOCCOC 2230a_100000745349_100000737683 [0,2,0,0,0,0|2,0,0]=4 20097 B13R0.147 CNC(=O)CCNCCOCCOC 34a_100000738227_100000695917 [0,2,0,0,0,0|2,0,0]=4 20098 B13R0.147 CNC(=O)CCNCCOCCOC 34a_100000745349_100012179268 [0,2,0,0,0,0|2,0,0]=4 20099 B13R0.147 CNC(=O)CCOCCCCCCBr 34a_100011215345_100012179268 [0,2,0,0,0,0|1,0,0]=3 20100 B13R0.147 CNC(=O)CCOCCCCCCBr 7a_100011215345_100000737683 [0,2,0,0,0,0|1,0,0]=3 20101 B13R0.147 CNC(=O)CCOCCCCCCCl 34a_100000766143_100012179268 [0,2,0,0,0,0|1,0,0]=3 20102 B13R0.147 CNC(=O)CCOCCCCCCCl 7a_100000766143_100000737683 [0,2,0,0,0,0|1,0,0]=3 20103 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000732779_100012179268 [0,2,0,0,0,0|1,0,0]=3 20104 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000754576_100015922095 [0,2,0,0,0,0|1,0,0]=3 20105 B13R0.147 CNC(=O)CCOCCCCCCF 7a_100000732779_100000737683 [0,2,0,0,0,0|1,0,0]=3 20106 B13R0.147 CNC(=O)CCOCCCCCCN 34a_100000686447_100012179268 [0,2,0,0,0,0|1,0,0]=3 20107 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,2,0,0,0,0|1,0,0]=3 20108 B13R0.147 CNC(=O)CCOCCOCCOC 11a_106832991635_100012278103 [0,2,0,0,0,0|2,0,0]=4 20109 B13R0.147 CNC(=O)CCOCCOCCOC 1626a_100102657272_100012278103 [0,2,0,0,0,0|2,0,0]=4 20110 B13R0.147 CNC(=O)CCOCCOCCOC 240690a_100102657272_100012278103 [0,2,0,0,0,0|2,0,0]=4 20111 B13R0.147 CNC(=O)CCOCCOCCOC 34a_100000754576_100000695917 [0,2,0,0,0,0|2,0,0]=4 20112 B13R0.147 CNC(=O)CCOCCOCCOC 34a_100011215163_100012179268 [0,2,0,0,0,0|2,0,0]=4 20113 B13R0.147 CNC(=O)CCOCCOCCOC 527a_100102657272_100012278103 [0,2,0,0,0,0|2,0,0]=4 20114 B13R0.147 CNC(=O)CCOCCOCCOC 7a_100011215163_100000737683 [0,2,0,0,0,0|2,0,0]=4 20115 B13R0.147 CNC(=O)CCSCCCCCC#N 62a_100000737683_100009813376 [0,2,0,0,0,0|1,0,1]=4 20116 B13R0.147 CNC(=O)CCSCCCCCC#N 62a_100009813376_100000737683 [0,2,0,0,0,0|1,0,1]=4 20117 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [0,2,0,0,0,0|1,0,1]=4 20118 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [0,2,0,0,0,0|1,0,1]=4 20119 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100000737683_100015922095 [0,2,0,0,0,0|1,0,0]=3 20120 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100015922095_100000737683 [0,2,0,0,0,0|1,0,0]=3 20121 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,2,0,0,0,0|1,0,0]=3 20122 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,2,0,0,0,0|1,0,0]=3 20123 B13R0.147 CNC(=O)CCSCCOCCOC 62a_100000695917_100000737683 [0,2,0,0,0,0|2,0,0]=4 20124 B13R0.147 CNC(=O)CCSCCOCCOC 62a_100000737683_100000695917 [0,2,0,0,0,0|2,0,0]=4 20125 B13R0.147 CNC(=O)CNCCCCCCC#N 2230a_100000693194_100009813337 [0,2,0,0,0,0|1,0,1]=4 20126 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,2,0,0,0,0|1,0,0]=3 20127 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,2,0,0,0,0|1,0,0]=3 20128 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,2,0,0,0,0|1,0,0]=3 20129 B13R0.147 CNC(=O)CNCCCCCCOC 2230a_100000693194_100011998445 [0,2,0,0,0,0|1,0,0]=3 20130 B13R0.147 CNC(=O)CNCCCOCCCO 2230a_100011310245_100000183359 [0,2,0,0,0,0|2,0,0]=4 20131 B13R0.147 CNC(=O)CNCCCOCCCO 34a_100011310245_100000183359 [0,2,0,0,0,0|2,0,0]=4 20132 B13R0.147 CNC(=O)CNCCCOCCOC 2230a_100000206027_100000183359 [0,2,0,0,0,0|2,0,0]=4 20133 B13R0.147 CNC(=O)CNCCCOCCOC 2230a_100000693194_100011216529 [0,2,0,0,0,0|2,0,0]=4 20134 B13R0.147 CNC(=O)CNCCCOCCOC 34a_100000206027_100000183359 [0,2,0,0,0,0|2,0,0]=4 20135 B13R0.147 CNC(=O)COCCCCCCCBr 34a_100000760002_100000183359 [0,2,0,0,0,0|1,0,0]=3 20136 B13R0.147 CNC(=O)COCCCCCCCBr 7a_100000760002_100000183359 [0,2,0,0,0,0|1,0,0]=3 20137 B13R0.147 CNC(=O)COCCCCCCCN 34a_100011996573_100000183359 [0,2,0,0,0,0|1,0,0]=3 20138 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,2,0,0,0,0|1,0,0]=3 20139 B13R0.147 CNC(=O)COCCCCCCOC 34a_100000750040_100011998445 [0,2,0,0,0,0|1,0,0]=3 20140 B13R0.147 CNC(=O)COCCCCCCOC 34a_200012092642_100000183359 [0,2,0,0,0,0|1,0,0]=3 20141 B13R0.147 CNC(=O)COCCCCCCOC 7a_200012092642_100000183359 [0,2,0,0,0,0|1,0,0]=3 20142 B13R0.147 CNC(=O)COCCCOCCCN 34a_100011310245_100000183359 [0,2,0,0,0,0|2,0,0]=4 20143 B13R0.147 CNC(=O)COCCCOCCOC 34a_100000750040_100011216529 [0,2,0,0,0,0|2,0,0]=4 20144 B13R0.147 CNC(=O)CSCCCCCCC#N 62a_100000183359_100009813337 [0,2,0,0,0,0|1,0,1]=4 20145 B13R0.147 CNC(=O)CSCCCCCCC#N 62a_100009813337_100000183359 [0,2,0,0,0,0|1,0,1]=4 20146 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,2,0,0,0,0|1,0,0]=3 20147 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,2,0,0,0,0|1,0,0]=3 20148 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100000183359_100011998445 [0,2,0,0,0,0|1,0,0]=3 20149 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100011998445_100000183359 [0,2,0,0,0,0|1,0,0]=3 20150 B13R0.147 CNC(=O)CSCCCOCCOC 62a_100000183359_100011216529 [0,2,0,0,0,0|2,0,0]=4 20151 B13R0.147 CNC(=O)CSCCCOCCOC 62a_100011216529_100000183359 [0,2,0,0,0,0|2,0,0]=4 20152 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,2,0,0,0,0|1,0,0]=3 20153 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,2,0,0,0,0|1,0,0]=3 20154 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,2,0,0,0,0|1,0,0]=3 20155 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,2,0,0,0,0|1,0,0]=3 20156 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,2,0,0,0,0|1,0,0]=3 20157 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,2,0,0,0,0|1,0,0]=3 20158 B13R0.147 CNC(=O)NCCNCCCCCF 34a_100015205895_100000729378 [0,2,0,0,0,0|2,0,0]=4 20159 B13R0.147 CNC(=O)NCCNCCCCCO 34a_100015205895_100000746330 [0,2,0,0,0,0|2,0,0]=4 20160 B13R0.147 CNC(=O)NCCNCCCCOC 34a_100015205895_100000755781 [0,2,0,0,0,0|2,0,0]=4 20161 B13R0.147 CNC(=O)OCCNCCCCCO 34a_100000762737_200011997002 [0,2,0,0,0,0|2,0,0]=4 20162 B13R0.147 CNC(=O)OCCOCCCCCBr 34a_100000746331_200011997002 [0,2,0,0,0,0|2,0,0]=4 20163 B13R0.147 CNC(=O)OCCOCCCCCBr 7a_100000746331_200011997002 [0,2,0,0,0,0|2,0,0]=4 20164 B13R0.147 CNC(=O)OCCOCCCCCCl 34a_100000746330_200011997002 [0,2,0,0,0,0|2,0,0]=4 20165 B13R0.147 CNC(=O)OCCOCCCCCCl 7a_100000746330_200011997002 [0,2,0,0,0,0|2,0,0]=4 20166 B13R0.147 CNC(=O)OCCOCCCCCI 34a_200012148887_200011997002 [0,2,0,0,0,0|2,0,0]=4 20167 B13R0.147 CNC(=O)OCCOCCCCCI 7a_200012148887_200011997002 [0,2,0,0,0,0|2,0,0]=4 20168 B13R0.147 CNC(=O)OCCOCCCCCN 34a_100000762737_200011997002 [0,2,0,0,0,0|2,0,0]=4 20169 B13R0.147 CNC(=O)OCCOCCCCOC 34a_100000740925_200011997002 [0,2,0,0,0,0|2,0,0]=4 20170 B13R0.147 CNC(=O)OCCOCCCCSC 34a_100011217163_200011997002 [0,2,0,0,0,0|2,0,0]=4 20171 B13R0.147 CNC(=O)OCCOCCCCSC 7a_100011217163_200011997002 [0,2,0,0,0,0|2,0,0]=4 20172 B13R0.147 CNC(=O)OCCSCCCCCF 62a_100000729378_200011997002 [0,2,0,0,0,0|2,0,0]=4 20173 B13R0.147 CNC(=O)OCCSCCCCCF 62a_200011997002_100000729378 [0,2,0,0,0,0|2,0,0]=4 20174 B13R0.147 CNC(=O)OCCSCCCCCO 62a_100000746330_200011997002 [0,2,0,0,0,0|2,0,0]=4 20175 B13R0.147 CNC(=O)OCCSCCCCCO 62a_200011997002_100000746330 [0,2,0,0,0,0|2,0,0]=4 20176 B13R0.147 CNC(=O)OCCSCCCCOC 62a_100000730899_200011997002 [0,2,0,0,0,0|2,0,0]=4 20177 B13R0.147 CNC(=O)OCCSCCCCOC 62a_200011997002_100000730899 [0,2,0,0,0,0|2,0,0]=4 20178 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|0,0,0]=2 20179 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|0,0,0]=2 20180 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|0,0,0]=2 20181 B13R0.147 CNCCCCCOCCC(=O)NC 34a_100000722520_100012179268 [0,2,0,0,0,0|1,0,0]=3 20182 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|1,0,0]=3 20183 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,2,0,0,0,0|1,0,0]=3 20184 B13R0.147 CNCCCOCCOCC(=O)OC 34a_100000213112_100000090808 [0,2,0,0,0,0|2,0,0]=4 20185 B13R0.147 CNCCOCCOCCC(=O)NC 34a_100000228057_100012179268 [0,2,0,0,0,0|2,0,0]=4 20186 B13R0.147 CNCCOCCOCCC(=O)OC 34a_100000228057_100000742370 [0,2,0,0,0,0|2,0,0]=4 20187 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|0,0,0]=2 20188 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|0,0,0]=2 20189 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|0,0,0]=2 20190 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|0,0,0]=2 20191 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|0,0,0]=2 20192 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|0,0,0]=2 20193 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,2,0,0,0,0|1,0,0]=3 20194 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,2,0,0,0,0|1,0,0]=3 20195 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,2,0,0,0,0|1,0,0]=3 20196 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,2,0,0,0,0|1,0,0]=3 20197 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,2,0,0,0,0|1,0,0]=3 20198 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|1,0,0]=3 20199 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|1,0,0]=3 20200 B13R0.147 COC(=O)CCCCCCOCC#N 7a_100009863599_100011215382 [0,2,0,0,0,0|1,0,1]=4 20201 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,2,0,0,0,0|1,0,1]=4 20202 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,2,0,0,0,0|1,0,1]=4 20203 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,2,0,0,0,0|1,0,0]=3 20204 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,2,0,0,0,0|1,0,0]=3 20205 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,2,0,0,0,0|1,0,0]=3 20206 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,2,0,0,0,0|1,0,0]=3 20207 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|1,0,0]=3 20208 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|1,0,0]=3 20209 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,2,0,0,0,0|1,0,0]=3 20210 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100009815986_100011215382 [0,2,0,0,0,0|1,0,1]=4 20211 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100011215382_100009815986 [0,2,0,0,0,0|1,0,1]=4 20212 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,2,0,0,0,0|1,0,1]=4 20213 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,2,0,0,0,0|1,0,1]=4 20214 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,2,0,0,0,0|1,0,0]=3 20215 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,2,0,0,0,0|1,0,0]=3 20216 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|1,0,0]=3 20217 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|1,0,0]=3 20218 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,2,0,0,0,0|1,0,0]=3 20219 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,2,0,0,0,0|1,0,0]=3 20220 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,2,0,0,0,0|1,0,0]=3 20221 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,2,0,0,0,0|1,0,0]=3 20222 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,2,0,0,0,0|1,0,0]=3 20223 B13R0.147 COC(=O)CCCCCOCCC#N 7a_100000074720_100000184422 [0,2,0,0,0,0|1,0,1]=4 20224 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,2,0,0,0,0|1,0,0]=3 20225 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,2,0,0,0,0|1,0,0]=3 20226 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,2,0,0,0,0|1,0,0]=3 20227 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,2,0,0,0,0|1,0,0]=3 20228 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,2,0,0,0,0|1,0,0]=3 20229 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,2,0,0,0,0|1,0,0]=3 20230 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|1,0,0]=3 20231 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|1,0,0]=3 20232 B13R0.147 COC(=O)CCCCCOCCON 34a_100000700252_100009816466 [0,2,0,0,0,0|2,0,0]=4 20233 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,2,0,0,0,0|1,0,0]=3 20234 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,2,0,0,0,0|1,0,0]=3 20235 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,2,0,0,0,0|1,0,0]=3 20236 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,2,0,0,0,0|1,0,0]=3 20237 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100009816466_100011215226 [0,2,0,0,0,0|1,0,1]=4 20238 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100011215226_100009816466 [0,2,0,0,0,0|1,0,1]=4 20239 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,2,0,0,0,0|1,0,0]=3 20240 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,2,0,0,0,0|1,0,0]=3 20241 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|1,0,0]=3 20242 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|1,0,0]=3 20243 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,2,0,0,0,0|1,0,0]=3 20244 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,2,0,0,0,0|1,0,0]=3 20245 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|1,0,0]=3 20246 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|1,0,0]=3 20247 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,2,0,0,0,0|1,0,0]=3 20248 B13R0.147 COC(=O)CCCCOCCCC#N 7a_100000059025_100000687738 [0,2,0,0,0,0|1,0,1]=4 20249 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,2,0,0,0,0|1,0,1]=4 20250 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,2,0,0,0,0|1,0,0]=3 20251 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,2,0,0,0,0|1,0,0]=3 20252 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,2,0,0,0,0|1,0,0]=3 20253 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,2,0,0,0,0|1,0,0]=3 20254 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,2,0,0,0,0|1,0,0]=3 20255 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,2,0,0,0,0|1,0,0]=3 20256 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,2,0,0,0,0|1,0,0]=3 20257 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,2,0,0,0,0|1,0,0]=3 20258 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,2,0,0,0,0|1,0,0]=3 20259 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|1,0,0]=3 20260 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|1,0,0]=3 20261 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,2,0,0,0,0|1,0,0]=3 20262 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,2,0,0,0,0|1,0,0]=3 20263 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000204269_100000687738 [0,2,0,0,0,0|1,0,1]=4 20264 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000687738_100000204269 [0,2,0,0,0,0|1,0,1]=4 20265 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,2,0,0,0,0|1,0,1]=4 20266 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,2,0,0,0,0|1,0,1]=4 20267 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,2,0,0,0,0|1,0,0]=3 20268 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,2,0,0,0,0|1,0,0]=3 20269 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|1,0,0]=3 20270 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|1,0,0]=3 20271 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|1,0,0]=3 20272 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,0]=3 20273 B13R0.147 COC(=O)CCCNCCOCCO 2230a_100000211614_100011218270 [0,2,0,0,0,0|2,0,0]=4 20274 B13R0.147 COC(=O)CCCNCCOCCO 34a_100000211614_100000742333 [0,2,0,0,0,0|2,0,0]=4 20275 B13R0.147 COC(=O)CCCNCCSCCO 2230a_100011219999_100011218270 [0,2,0,0,0,0|2,0,0]=4 20276 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,2,0,0,0,0|1,0,0]=3 20277 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,2,0,0,0,0|1,0,0]=3 20278 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,2,0,0,0,0|1,0,0]=3 20279 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,2,0,0,0,0|1,0,0]=3 20280 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,2,0,0,0,0|1,0,0]=3 20281 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,2,0,0,0,0|1,0,0]=3 20282 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,2,0,0,0,0|1,0,0]=3 20283 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,2,0,0,0,0|1,0,0]=3 20284 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,2,0,0,0,0|1,0,0]=3 20285 B13R0.147 COC(=O)CCCOCCOCCBr 34a_100000692535_100000742333 [0,2,0,0,0,0|2,0,0]=4 20286 B13R0.147 COC(=O)CCCOCCOCCBr 7a_100000692535_100011218270 [0,2,0,0,0,0|2,0,0]=4 20287 B13R0.147 COC(=O)CCCOCCOCCCl 34a_100011215305_100000742333 [0,2,0,0,0,0|2,0,0]=4 20288 B13R0.147 COC(=O)CCCOCCOCCCl 7a_100011215305_100011218270 [0,2,0,0,0,0|2,0,0]=4 20289 B13R0.147 COC(=O)CCCOCCOCCF 34a_200015357709_100000742333 [0,2,0,0,0,0|2,0,0]=4 20290 B13R0.147 COC(=O)CCCOCCOCCF 7a_200015357709_100011218270 [0,2,0,0,0,0|2,0,0]=4 20291 B13R0.147 COC(=O)CCCOCCOCCI 34a_100012149058_100000742333 [0,2,0,0,0,0|2,0,0]=4 20292 B13R0.147 COC(=O)CCCOCCOCCI 7a_100012149058_100011218270 [0,2,0,0,0,0|2,0,0]=4 20293 B13R0.147 COC(=O)CCCOCCOCCN 34a_100000211614_100000742333 [0,2,0,0,0,0|2,0,0]=4 20294 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011218270_100000211819 [0,2,0,0,0,0|1,0,1]=4 20295 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011219923_100011218270 [0,2,0,0,0,0|1,0,1]=4 20296 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,2,0,0,0,0|1,0,1]=4 20297 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,2,0,0,0,0|1,0,1]=4 20298 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,2,0,0,0,0|1,0,0]=3 20299 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,2,0,0,0,0|1,0,0]=3 20300 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|1,0,0]=3 20301 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|1,0,0]=3 20302 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011215305_100011218270 [0,2,0,0,0,0|2,0,0]=4 20303 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011218270_100011215305 [0,2,0,0,0,0|2,0,0]=4 20304 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|1,0,0]=3 20305 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,0]=3 20306 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,2,0,0,0,0|1,0,0]=3 20307 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,2,0,0,0,0|1,0,0]=3 20308 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,2,0,0,0,0|1,0,0]=3 20309 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,2,0,0,0,0|1,0,0]=3 20310 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,2,0,0,0,0|1,0,0]=3 20311 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,2,0,0,0,0|1,0,0]=3 20312 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,2,0,0,0,0|1,0,0]=3 20313 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 34a_100010982084_200025704644 [0,2,0,0,0,0|2,0,0]=4 20314 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 7a_100010982084_200025704644 [0,2,0,0,0,0|2,0,0]=4 20315 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100000204255_100009813376 [0,2,0,0,0,0|1,0,1]=4 20316 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100009813376_100000204255 [0,2,0,0,0,0|1,0,1]=4 20317 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,2,0,0,0,0|1,0,1]=4 20318 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,2,0,0,0,0|1,0,1]=4 20319 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,2,0,0,0,0|1,0,0]=3 20320 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,2,0,0,0,0|1,0,0]=3 20321 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|1,0,0]=3 20322 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|1,0,0]=3 20323 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|1,0,0]=3 20324 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,0]=3 20325 B13R0.147 COC(=O)CNCCCOCCCO 2230a_100011310245_100000747449 [0,2,0,0,0,0|2,0,0]=4 20326 B13R0.147 COC(=O)CNCCCOCCCO 34a_100011310245_100000747449 [0,2,0,0,0,0|2,0,0]=4 20327 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,2,0,0,0,0|1,0,0]=3 20328 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,2,0,0,0,0|1,0,0]=3 20329 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,0]=3 20330 B13R0.147 COC(=O)COCCCOCCCN 34a_100011310245_100000747449 [0,2,0,0,0,0|2,0,0]=4 20331 B13R0.147 COC(=O)COCCNCCCCO 2230a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 20332 B13R0.147 COC(=O)COCCNCCCCO 34a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 20333 B13R0.147 COC(=O)COCCNCCCSC 2230a_100000749238_100000090808 [0,2,0,0,0,0|2,0,0]=4 20334 B13R0.147 COC(=O)COCCOCCCCBr 34a_100011216708_100000090808 [0,2,0,0,0,0|2,0,0]=4 20335 B13R0.147 COC(=O)COCCOCCCCCl 34a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 20336 B13R0.147 COC(=O)COCCOCCCCCl 7a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 20337 B13R0.147 COC(=O)COCCOCCCCF 34a_100011995726_100000090808 [0,2,0,0,0,0|2,0,0]=4 20338 B13R0.147 COC(=O)COCCOCCCCF 7a_100011995726_100000090808 [0,2,0,0,0,0|2,0,0]=4 20339 B13R0.147 COC(=O)COCCOCCCCI 34a_200012148704_100000090808 [0,2,0,0,0,0|2,0,0]=4 20340 B13R0.147 COC(=O)COCCOCCCCN 34a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 20341 B13R0.147 COC(=O)COCCOCCCSC 34a_100000690336_100000090808 [0,2,0,0,0,0|2,0,0]=4 20342 B13R0.147 COC(=O)COCCOCCCSC 7a_100000690336_100000090808 [0,2,0,0,0,0|2,0,0]=4 20343 B13R0.147 COC(=O)COCCSCCCCF 62a_100000090808_100000729493 [0,2,0,0,0,0|2,0,0]=4 20344 B13R0.147 COC(=O)COCCSCCCCF 62a_100000729493_100000090808 [0,2,0,0,0,0|2,0,0]=4 20345 B13R0.147 COC(=O)COCCSCCCCO 62a_100000090808_100000210776 [0,2,0,0,0,0|2,0,0]=4 20346 B13R0.147 COC(=O)COCCSCCCCO 62a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 20347 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100000747449_100009813337 [0,2,0,0,0,0|1,0,1]=4 20348 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100009813337_100000747449 [0,2,0,0,0,0|1,0,1]=4 20349 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|1,0,0]=3 20350 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|1,0,0]=3 20351 B13R0.147 COC(=O)NCCOCCCCCF 34a_100000757965_100000729378 [0,2,0,0,0,0|2,0,0]=4 20352 B13R0.147 COC(=O)NCCOCCCCCO 34a_100000757965_100000746330 [0,2,0,0,0,0|2,0,0]=4 20353 B13R0.147 COC(=O)OCCOCCCCCF 34a_100010262106_100000729378 [0,2,0,0,0,0|2,0,0]=4 20354 B13R0.147 COC(=O)OCCOCCCCCO 34a_100010262106_100000746330 [0,2,0,0,0,0|2,0,0]=4 20355 B13R0.147 COC(=O)OCSCCCCCCF 62a_100015922095_100000139417 [0,2,0,0,0,0|2,0,0]=4 20356 B13R0.147 COC(=O)OCSCCCCCCO 62a_100000766143_100000139417 [0,2,0,0,0,0|2,0,0]=4 20357 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|0,0,0]=2 20358 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|0,0,0]=2 20359 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|0,0,0]=2 20360 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|1,0,0]=3 20361 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|1,0,0]=3 20362 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,2,0,0,0,0|1,0,0]=3 20363 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,2,0,0,0,0|1,0,0]=3 20364 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|1,0,0]=3 20365 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|1,0,0]=3 20366 B13R0.147 COCCCCOCCCC(=O)NN 34a_100000211488_100000755781 [0,2,0,0,0,0|2,0,0]=4 20367 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,2,0,0,0,0|1,0,0]=3 20368 B13R0.147 COCCCCOCCNC(=O)OC 34a_100000757965_100000755781 [0,2,0,0,0,0|2,0,0]=4 20369 B13R0.147 COCCCCOCCOC(=O)OC 34a_100010262106_100000755781 [0,2,0,0,0,0|2,0,0]=4 20370 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,2,0,0,0,0|1,0,0]=3 20371 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,2,0,0,0,0|1,0,0]=3 20372 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,2,0,0,0,0|1,0,0]=3 20373 B13R0.147 COCCCNCCOCC(=O)OC 34a_100150723488_100000090808 [0,2,0,0,0,0|2,0,0]=4 20374 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,2,0,0,0,0|1,0,0]=3 20375 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,2,0,0,0,0|1,0,0]=3 20376 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,2,0,0,0,0|1,0,0]=3 20377 B13R0.147 COCCCOCCOCC(=O)OC 34a_100000740835_100000090808 [0,2,0,0,0,0|2,0,0]=4 20378 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,2,0,0,0,0|1,0,0]=3 20379 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,2,0,0,0,0|1,0,0]=3 20380 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000090808_100000709357 [0,2,0,0,0,0|2,0,0]=4 20381 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000709357_100000090808 [0,2,0,0,0,0|2,0,0]=4 20382 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,2,0,0,0,0|1,0,0]=3 20383 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,2,0,0,0,0|1,0,0]=3 20384 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,2,0,0,0,0|1,0,0]=3 20385 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,2,0,0,0,0|1,0,0]=3 20386 B13R0.147 COCCOCCCNCC(=O)OC 2230a_100000206027_100000747449 [0,2,0,0,0,0|2,0,0]=4 20387 B13R0.147 COCCOCCCNCC(=O)OC 34a_100000206027_100000747449 [0,2,0,0,0,0|2,0,0]=4 20388 B13R0.147 COCCOCCCSCC(=O)OC 62a_100000747449_100011216529 [0,2,0,0,0,0|2,0,0]=4 20389 B13R0.147 COCCOCCCSCC(=O)OC 62a_100011216529_100000747449 [0,2,0,0,0,0|2,0,0]=4 20390 B13R0.147 COCCOCCNCCC(=O)OC 2230a_100000745349_100000204255 [0,2,0,0,0,0|2,0,0]=4 20391 B13R0.147 COCCOCCNCCC(=O)OC 34a_100000745349_100000742370 [0,2,0,0,0,0|2,0,0]=4 20392 B13R0.147 COCCOCCOCCC(=O)CF 1458a_100012278103_100015361967 [0,2,0,0,0,0|2,0,0]=4 20393 B13R0.147 COCCOCCOCCC(=O)CO 1458a_100000210174_100013367474 [0,2,0,0,0,0|2,0,0]=4 20394 B13R0.147 COCCOCCOCCC(=O)OC 34a_100010982084_200000210301 [0,2,0,0,0,0|2,0,0]=4 20395 B13R0.147 COCCOCCOCCC(=O)OC 34a_100011215163_100000742370 [0,2,0,0,0,0|2,0,0]=4 20396 B13R0.147 COCCOCCOCCC(=O)OC 7a_100010982084_200000210301 [0,2,0,0,0,0|2,0,0]=4 20397 B13R0.147 COCCOCCOCCC(=O)OC 7a_100011215163_100000204255 [0,2,0,0,0,0|2,0,0]=4 20398 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000204255_100000695917 [0,2,0,0,0,0|2,0,0]=4 20399 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000695917_100000204255 [0,2,0,0,0,0|2,0,0]=4 20400 B13R0.147 COCCOCSCCCC(=O)OC 62a_100000231047_100011218270 [0,2,0,0,0,0|2,0,0]=4 20401 B13R0.147 COCCOCSCCCC(=O)OC 62a_100011218270_100000231047 [0,2,0,0,0,0|2,0,0]=4 20402 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,2,0,0,0,0|1,0,0]=3 20403 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,2,0,0,0,0|1,0,0]=3 20404 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,2,0,0,0,0|1,0,0]=3 20405 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,2,0,0,0,0|1,0,0]=3 20406 B13R0.147 NNC(=O)CCCOCCCCCF 34a_100000211488_100000729378 [0,2,0,0,0,0|2,0,0]=4 20407 B13R0.147 NNC(=O)CCCOCCCCCO 34a_100000211488_100000746330 [0,2,0,0,0,0|2,0,0]=4 20408 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|0,0,0]=2 20409 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|0,0,0]=2 20410 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|1,0,0]=3 20411 B13R0.150 C#CCCCCCCCC(=O)C(=C)C 1458a_100000185857_100153394163 [0,2,0,0,0,0|0,0,2]=4 20412 B13R0.150 C#CCCCCCCCC(=O)C(C)C 1458a_100000087357_100000210206 [0,2,0,0,0,0|0,0,2]=4 20413 B13R0.150 C#CCCCCCCCC(=O)C(C)C 1458a_100000210198_100153394163 [0,2,0,0,0,0|0,0,2]=4 20414 B13R0.150 C#CCCCCCCCC(=O)C(C)F 1458a_100000062450_100153394163 [0,2,0,0,0,0|0,0,2]=4 20415 B13R0.150 C#CCCCCCCCC(=O)C(O)O 1458a_100000233687_100153394163 [0,2,0,0,0,0|0,0,2]=4 20416 B13R0.150 C#CCCCCCCCC(=O)N(C)C 11a_100102631434_100000087357 [0,2,0,0,0,0|0,0,2]=4 20417 B13R0.150 C#CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000087357 [0,2,0,0,0,0|0,0,2]=4 20418 B13R0.150 C#CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000087357 [0,2,0,0,0,0|0,0,2]=4 20419 B13R0.150 C#CCCCCCCCC(=O)N(C)C 527a_100102631434_100000087357 [0,2,0,0,0,0|0,0,2]=4 20420 B13R0.150 C#CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100153394163 [0,2,0,0,0,0|0,0,2]=4 20421 B13R0.150 C#CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100153394163 [0,2,0,0,0,0|0,0,2]=4 20422 B13R0.150 C#CCCCCCCOC(C)C(=O)C 34a_100000212229_100012276617 [0,2,0,0,0,0|0,0,2]=4 20423 B13R0.150 C#CCCCCCCOC(C)C(=O)C 7a_100011217361_100000179758 [0,2,0,0,0,0|0,0,2]=4 20424 B13R0.150 C#CCCCCCCSC(C)C(=O)C 62a_100009814033_100012276617 [0,2,0,0,0,0|0,0,2]=4 20425 B13R0.150 C#CCCCCCCSC(C)C(=O)C 62a_100012276617_100009814033 [0,2,0,0,0,0|0,0,2]=4 20426 B13R0.150 C#CCCCCCOCC(C)C(=O)C 34a_100000032740_100012094781 [0,2,0,0,0,0|0,0,2]=4 20427 B13R0.150 C#CCCCCCOCC(C)C(=O)C 7a_100000032740_100012094781 [0,2,0,0,0,0|0,0,2]=4 20428 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 11a_100000229939_100009813364 [0,2,0,0,0,0|1,0,1]=4 20429 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 1626a_100000229939_100009813364 [0,2,0,0,0,0|1,0,1]=4 20430 B13R0.150 C=C(C)C(=O)CCCC#CCCCC 1458a_100000185857_200000047210 [0,2,0,0,0,0|0,0,2]=4 20431 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [0,2,0,0,0,0|0,0,0]=2 20432 B13R0.150 C=C(C)C(=O)CCCCCCCCO 1458a_100000185857_100000033203 [0,2,0,0,0,0|1,0,0]=3 20433 B13R0.150 C=C(C)C(=O)NCCCCCCCC 11a_100000229939_100000185857 [0,2,0,0,0,0|1,0,0]=3 20434 B13R0.150 C=C(C)C(=O)NCCCCCCCC 1626a_100000229939_100000185857 [0,2,0,0,0,0|1,0,0]=3 20435 B13R0.150 C=C(C)C(=O)NCCCNCCCC 2230a_100016987756_100000210211 [0,2,0,0,0,0|2,0,0]=4 20436 B13R0.150 C=C(C)C(=O)NCCCOCCCC 1626a_200000211371_100000185857 [0,2,0,0,0,0|2,0,0]=4 20437 B13R0.150 C=C(C)C(=O)NCCNCCCCC 2230a_100102636416_100000210326 [0,2,0,0,0,0|2,0,0]=4 20438 B13R0.150 C=C(C)C(=O)OCCCCCCNC 2230a_106832991635_200010402237 [0,2,0,0,0,0|2,0,0]=4 20439 B13R0.150 C=C(C)C(=O)OCCCCCCNC 34a_100102657272_200010402237 [0,2,0,0,0,0|2,0,0]=4 20440 B13R0.150 C=C(C)C(=O)OCCCCCCNC 7a_106832991635_200010402237 [0,2,0,0,0,0|2,0,0]=4 20441 B13R0.150 C=C(C)C(=O)OCCCCCCOC 34a_100138415774_200010402237 [0,2,0,0,0,0|2,0,0]=4 20442 B13R0.150 C=C(C)C(=O)OCCCCCCSC 62a_200000210301_200010402237 [0,2,0,0,0,0|2,0,0]=4 20443 B13R0.150 C=C(C)C(=O)OCCCCCCSC 62a_200010402237_200000210301 [0,2,0,0,0,0|2,0,0]=4 20444 B13R0.150 C=C(C)C(=O)OCCCCCCS[13CH3] 62a_200010402237_200025704644 [0,2,0,0,0,0|2,0,0]=4 20445 B13R0.150 C=C(C)C(=O)OCCCCCCS[13CH3] 62a_200025704644_200010402237 [0,2,0,0,0,0|2,0,0]=4 20446 B13R0.150 C=C(C)C(=O)OCCCCOCCC 7a_100000065474_100000210303 [0,2,0,0,0,0|2,0,0]=4 20447 B13R0.150 C=C(C)C(=O)OCCCOCCCC 7a_100000032641_100000210211 [0,2,0,0,0,0|2,0,0]=4 20448 B13R0.150 C=C(C)C(=O)OCCNCCCCC 2230a_100000209983_100009816335 [0,2,0,0,0,0|2,0,0]=4 20449 B13R0.150 C=C(C)C(=O)OCCOCCCCC 34a_100000210253_100009816335 [0,2,0,0,0,0|2,0,0]=4 20450 B13R0.150 C=C(C)C(=O)OCCOCCCCC 7a_100000210253_100009816335 [0,2,0,0,0,0|2,0,0]=4 20451 B13R0.150 C=C(C)C(=O)OCCSCCCCC 62a_100000210326_100009816335 [0,2,0,0,0,0|2,0,0]=4 20452 B13R0.150 C=C(C)C(=O)OCCSCCCCC 62a_100009816335_100000210326 [0,2,0,0,0,0|2,0,0]=4 20453 B13R0.150 C=C(C)C(C)NCCCCCCCC 269862a_100000229939_100011216138 [0,2,0,0,0,0|1,0,0]=3 20454 B13R0.150 C=C(C)C(C)NCCCCCCCO 269862a_100011996573_100011216138 [0,2,0,0,0,0|2,0,0]=4 20455 B13R0.150 C=C(C)C(C)NCCCOCCCC 269862a_200000211371_100011216138 [0,2,0,0,0,0|2,0,0]=4 20456 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 11a_100000229939_100000039160 [0,2,0,0,0,0|1,0,1]=4 20457 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 1626a_100000229939_100000039160 [0,2,0,0,0,0|1,0,1]=4 20458 B13R0.150 C=C(F)C(=O)NCCCCCCCC 11a_100000229939_100000036797 [0,2,0,0,0,0|1,0,1]=4 20459 B13R0.150 C=C(F)C(=O)NCCCCCCCC 1626a_100000229939_100000036797 [0,2,0,0,0,0|1,0,1]=4 20460 B13R0.150 C=CCCCCCCCC(=O)C(=C)C 1458a_100000185857_100012355270 [0,2,0,0,0,0|0,0,2]=4 20461 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100000210198_100012355270 [0,2,0,0,0,0|0,0,2]=4 20462 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100011216160_100000210206 [0,2,0,0,0,0|0,0,2]=4 20463 B13R0.150 C=CCCCCCCCC(=O)C(C)F 1458a_100000062450_100012355270 [0,2,0,0,0,0|0,0,2]=4 20464 B13R0.150 C=CCCCCCCCC(=O)C(O)O 1458a_100000233687_100012355270 [0,2,0,0,0,0|0,0,2]=4 20465 B13R0.150 C=CCCCCCCCC(=O)N(C)C 11a_100102631434_100011216160 [0,2,0,0,0,0|0,0,2]=4 20466 B13R0.150 C=CCCCCCCCC(=O)N(C)C 1626a_100102631434_100011216160 [0,2,0,0,0,0|0,0,2]=4 20467 B13R0.150 C=CCCCCCCCC(=O)N(C)C 240690a_100102631434_100011216160 [0,2,0,0,0,0|0,0,2]=4 20468 B13R0.150 C=CCCCCCCCC(=O)N(C)C 527a_100102631434_100011216160 [0,2,0,0,0,0|0,0,2]=4 20469 B13R0.150 C=CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012355270 [0,2,0,0,0,0|0,0,2]=4 20470 B13R0.150 C=CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012355270 [0,2,0,0,0,0|0,0,2]=4 20471 B13R0.150 C=CCCCCCCOC(C)C(=O)C 34a_100000212229_100011215473 [0,2,0,0,0,0|0,0,2]=4 20472 B13R0.150 C=CCCCCCCOC(C)C(=O)C 7a_200011216477_100000179758 [0,2,0,0,0,0|0,0,2]=4 20473 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100009814033_100011215473 [0,2,0,0,0,0|0,0,2]=4 20474 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100011215473_100009814033 [0,2,0,0,0,0|0,0,2]=4 20475 B13R0.150 C=CCCCCCOCC(C)C(=O)C 34a_100000032740_100000700193 [0,2,0,0,0,0|0,0,2]=4 20476 B13R0.150 C=CCCCCCOCC(C)C(=O)C 7a_100000032740_100000700193 [0,2,0,0,0,0|0,0,2]=4 20477 B13R0.150 CC(=O)C(=O)CNCCCCCCO 34a_100000686447_100011261029 [0,2,0,0,0,0|1,0,1]=4 20478 B13R0.150 CC(=O)C(=O)COCCCCCCBr 34a_100011215345_100011261029 [0,2,0,0,0,0|1,0,1]=4 20479 B13R0.150 CC(=O)C(=O)COCCCCCCCl 34a_100000766143_100011261029 [0,2,0,0,0,0|1,0,1]=4 20480 B13R0.150 CC(=O)C(=O)COCCCCCCF 34a_100000732779_100011261029 [0,2,0,0,0,0|1,0,1]=4 20481 B13R0.150 CC(=O)C(=O)COCCCCCCN 34a_100000686447_100011261029 [0,2,0,0,0,0|1,0,1]=4 20482 B13R0.150 CC(=O)C(=O)CSCCCCCCF 62a_100011261029_100015922095 [0,2,0,0,0,0|1,0,1]=4 20483 B13R0.150 CC(=O)C(=O)CSCCCCCCF 62a_100015922095_100011261029 [0,2,0,0,0,0|1,0,1]=4 20484 B13R0.150 CC(=O)C(=O)CSCCCCCCO 62a_100000766143_100011261029 [0,2,0,0,0,0|1,0,1]=4 20485 B13R0.150 CC(=O)C(=O)CSCCCCCCO 62a_100011261029_100000766143 [0,2,0,0,0,0|1,0,1]=4 20486 B13R0.150 CC(=O)C(C)COCCCCCC#N 7a_100000032740_100009813376 [0,2,0,0,0,0|1,0,1]=4 20487 B13R0.150 CC(=O)C(C)COCCCCCC=O 7a_100000032740_100000139337 [0,2,0,0,0,0|1,0,1]=4 20488 B13R0.150 CC(=O)C(C)COCCCCCCF 34a_100000032740_100015922095 [0,2,0,0,0,0|1,0,0]=3 20489 B13R0.150 CC(=O)C(C)COCCCCCCF 7a_100000032740_100015922095 [0,2,0,0,0,0|1,0,0]=3 20490 B13R0.150 CC(=O)C(C)COCCCCCCO 34a_100000032740_100000766143 [0,2,0,0,0,0|1,0,0]=3 20491 B13R0.150 CC(=O)C(C)COCCCCCCO 7a_100000032740_100000766143 [0,2,0,0,0,0|1,0,0]=3 20492 B13R0.150 CC(=O)C(C)NCCCCCCCO 2230a_100011996573_100009814033 [0,2,0,0,0,0|1,0,0]=3 20493 B13R0.150 CC(=O)C(C)NCCCOCCCO 2230a_100011310245_100009814033 [0,2,0,0,0,0|2,0,0]=4 20494 B13R0.150 CC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000179758 [0,2,0,0,0,0|1,0,0]=3 20495 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [0,2,0,0,0,0|1,0,0]=3 20496 B13R0.150 CC(=O)C(C)SCCCCCCC#N 62a_100009813337_100009814033 [0,2,0,0,0,0|1,0,1]=4 20497 B13R0.150 CC(=O)C(C)SCCCCCCC#N 62a_100009814033_100009813337 [0,2,0,0,0,0|1,0,1]=4 20498 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100000760002_100009814033 [0,2,0,0,0,0|1,0,0]=3 20499 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100009814033_100000760002 [0,2,0,0,0,0|1,0,0]=3 20500 B13R0.150 CC(C)C(=O)CCCCCCCCO 1458a_100000210198_100000033203 [0,2,0,0,0,0|1,0,0]=3 20501 B13R0.150 CC(C)C(=O)CNCCCCCCO 2230a_100000686447_100000753385 [0,2,0,0,0,0|2,0,0]=4 20502 B13R0.150 CC(C)C(=O)CNCCCCCCO 34a_100000686447_100000753385 [0,2,0,0,0,0|2,0,0]=4 20503 B13R0.150 CC(C)C(=O)COCCCCCCBr 34a_100011215345_100000753385 [0,2,0,0,0,0|2,0,0]=4 20504 B13R0.150 CC(C)C(=O)COCCCCCCBr 7a_100011215345_100000753385 [0,2,0,0,0,0|2,0,0]=4 20505 B13R0.150 CC(C)C(=O)COCCCCCCCl 34a_100000766143_100000753385 [0,2,0,0,0,0|2,0,0]=4 20506 B13R0.150 CC(C)C(=O)COCCCCCCCl 7a_100000766143_100000753385 [0,2,0,0,0,0|2,0,0]=4 20507 B13R0.150 CC(C)C(=O)COCCCCCCF 34a_100000732779_100000753385 [0,2,0,0,0,0|2,0,0]=4 20508 B13R0.150 CC(C)C(=O)COCCCCCCF 7a_100000732779_100000753385 [0,2,0,0,0,0|2,0,0]=4 20509 B13R0.150 CC(C)C(=O)COCCCCCCN 34a_100000686447_100000753385 [0,2,0,0,0,0|2,0,0]=4 20510 B13R0.150 CC(C)C(=O)CSCCCCCCF 62a_100000753385_100015922095 [0,2,0,0,0,0|2,0,0]=4 20511 B13R0.150 CC(C)C(=O)CSCCCCCCF 62a_100015922095_100000753385 [0,2,0,0,0,0|2,0,0]=4 20512 B13R0.150 CC(C)C(=O)CSCCCCCCO 62a_100000753385_100000766143 [0,2,0,0,0,0|2,0,0]=4 20513 B13R0.150 CC(C)C(=O)CSCCCCCCO 62a_100000766143_100000753385 [0,2,0,0,0,0|2,0,0]=4 20514 B13R0.150 CC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000210198 [0,2,0,0,0,0|2,0,0]=4 20515 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,2,0,0,0,0|2,0,0]=4 20516 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,2,0,0,0,0|2,0,0]=4 20517 B13R0.150 CC(F)C(=O)CCCCCCCCO 1458a_100000062450_100000033203 [0,2,0,0,0,0|1,0,0]=3 20518 B13R0.150 CC(F)C(=O)NCCCCCCCO 240690a_100011996573_100000062450 [0,2,0,0,0,0|2,0,0]=4 20519 B13R0.150 CC(NCCCCCCCO)C(=O)N 2230a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 20520 B13R0.150 CC(NCCCCCCCO)C(=O)N 34a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 20521 B13R0.150 CC(OCCCCCCCBr)C(=O)N 34a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 20522 B13R0.150 CC(OCCCCCCCBr)C(=O)N 7a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 20523 B13R0.150 CC(OCCCCCCCN)C(=O)N 34a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 20524 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000702099_100000760002 [0,2,0,0,0,0|2,0,0]=4 20525 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 20526 B13R0.150 CC/C=C\CCCCOC(C)C(=O)C 7a_100016287862_100000179758 [0,2,0,0,0,0|0,0,2]=4 20527 B13R0.150 CCCC/C=C\CCOC(C)C(=O)C 7a_200016286491_100000179758 [0,2,0,0,0,0|0,0,2]=4 20528 B13R0.150 CCCCC#CCCCC(=O)C(C)C 1458a_100000210198_200000047210 [0,2,0,0,0,0|0,0,2]=4 20529 B13R0.150 CCCCC#CCCCC(=O)C(C)F 1458a_100000062450_200000047210 [0,2,0,0,0,0|0,0,2]=4 20530 B13R0.150 CCCCC#CCCCC(=O)C(O)O 1458a_100000233687_200000047210 [0,2,0,0,0,0|0,0,2]=4 20531 B13R0.150 CCCCC#CCCCC(=O)[C@@H](C)O 1458a_100000717761_200000047210 [0,2,0,0,0,0|0,0,2]=4 20532 B13R0.150 CCCCC#CCCCC(=O)[C@H](C)O 1458a_217856618621_200000047210 [0,2,0,0,0,0|0,0,2]=4 20533 B13R0.150 CCCCC#CCCOC(C)C(=O)C 7a_100000037610_100000179758 [0,2,0,0,0,0|0,0,2]=4 20534 B13R0.150 CCCCC/C=C/CCC(=O)C(C)C 1458a_200015255902_100000210206 [0,2,0,0,0,0|0,0,2]=4 20535 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 11a_100102631434_200015255902 [0,2,0,0,0,0|0,0,2]=4 20536 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 1626a_100102631434_200015255902 [0,2,0,0,0,0|0,0,2]=4 20537 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 240690a_100102631434_200015255902 [0,2,0,0,0,0|0,0,2]=4 20538 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 527a_100102631434_200015255902 [0,2,0,0,0,0|0,0,2]=4 20539 B13R0.150 CCCCC/C=C/COC(C)C(=O)C 7a_100016258190_100000179758 [0,2,0,0,0,0|0,0,2]=4 20540 B13R0.150 CCCCCC#CCOC(C)C(=O)C 34a_100000212229_100009816472 [0,2,0,0,0,0|0,0,2]=4 20541 B13R0.150 CCCCCC#CCOC(C)C(=O)C 7a_200000033628_100000179758 [0,2,0,0,0,0|0,0,2]=4 20542 B13R0.150 CCCCCC#CCSC(C)C(=O)C 62a_100009814033_100009816472 [0,2,0,0,0,0|0,0,2]=4 20543 B13R0.150 CCCCCC#CCSC(C)C(=O)C 62a_100009816472_100009814033 [0,2,0,0,0,0|0,0,2]=4 20544 B13R0.150 CCCCCC/C=C/CC(=O)C(C)C 1458a_100020681715_100000210206 [0,2,0,0,0,0|0,0,2]=4 20545 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020681715 [0,2,0,0,0,0|0,0,2]=4 20546 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020681715 [0,2,0,0,0,0|0,0,2]=4 20547 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020681715 [0,2,0,0,0,0|0,0,2]=4 20548 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [0,2,0,0,0,0|0,0,2]=4 20549 B13R0.150 CCCCCCCC=CC(=O)N(C)C 11a_100102631434_200015332781 [0,2,0,0,0,0|0,0,2]=4 20550 B13R0.150 CCCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015332781 [0,2,0,0,0,0|0,0,2]=4 20551 B13R0.150 CCCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015332781 [0,2,0,0,0,0|0,0,2]=4 20552 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [0,2,0,0,0,0|0,0,0]=2 20553 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [0,2,0,0,0,0|0,0,0]=2 20554 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [0,2,0,0,0,0|0,0,0]=2 20555 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|0,0,0]=2 20556 B13R0.150 CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210558 [0,2,0,0,0,0|0,0,0]=2 20557 B13R0.150 CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210558 [0,2,0,0,0,0|0,0,0]=2 20558 B13R0.150 CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210558 [0,2,0,0,0,0|0,0,0]=2 20559 B13R0.150 CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000210558 [0,2,0,0,0,0|0,0,0]=2 20560 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|0,0,0]=2 20561 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|0,0,0]=2 20562 B13R0.150 CCCCCCCCCC(C)N(C)C 270004a_100102631434_100011215753 [0,2,0,0,0,0|1,0,1]=4 20563 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [0,2,0,0,0,0|0,0,0]=2 20564 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [0,2,0,0,0,0|0,0,0]=2 20565 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [0,2,0,0,0,0|0,0,0]=2 20566 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [0,2,0,0,0,0|0,0,0]=2 20567 B13R0.150 CCCCCCCCCN(C)C(C)C 2230a_100000232482_100000210206 [0,2,0,0,0,0|1,0,1]=4 20568 B13R0.150 CCCCCCCCCN(C)C(C)C 269982a_100000232482_100000210206 [0,2,0,0,0,0|1,0,1]=4 20569 B13R0.150 CCCCCCCCCN(C)C(C)C 269982a_200000211004_100000210670 [0,2,0,0,0,0|1,0,1]=4 20570 B13R0.150 CCCCCCCCNC(=O)C(=O)N 240690a_100000229939_100011215815 [0,2,0,0,0,0|1,0,1]=4 20571 B13R0.150 CCCCCCCCNC(=O)C(C)C 11a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 20572 B13R0.150 CCCCCCCCNC(=O)C(C)C 1626a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 20573 B13R0.150 CCCCCCCCNC(=O)C(C)C 240690a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 20574 B13R0.150 CCCCCCCCNC(=O)C(C)C 527a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 20575 B13R0.150 CCCCCCCCNC(=O)C(C)F 11a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 20576 B13R0.150 CCCCCCCCNC(=O)C(C)F 1626a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 20577 B13R0.150 CCCCCCCCNC(=O)C(C)F 240690a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 20578 B13R0.150 CCCCCCCCNC(=O)C(C)F 527a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 20579 B13R0.150 CCCCCCCCNC(=O)C(F)F 11a_100000229939_100000210393 [0,2,0,0,0,0|1,0,0]=3 20580 B13R0.150 CCCCCCCCNC(=O)C(F)F 1626a_100000229939_100000210393 [0,2,0,0,0,0|1,0,0]=3 20581 B13R0.150 CCCCCCCCNC(=O)C(F)F 240690a_100000229939_100000210393 [0,2,0,0,0,0|1,0,0]=3 20582 B13R0.150 CCCCCCCCNC(=O)C(F)F 527a_100000229939_100000210393 [0,2,0,0,0,0|1,0,0]=3 20583 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [0,2,0,0,0,0|1,0,0]=3 20584 B13R0.150 CCCCCCCCNC(=O)N(C)C 2708a_100000229939_100102631434 [0,2,0,0,0,0|1,0,0]=3 20585 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [0,2,0,0,0,0|1,0,0]=3 20586 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 20587 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 20588 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [0,2,0,0,0,0|0,0,0]=2 20589 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [0,2,0,0,0,0|1,0,0]=3 20590 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [0,2,0,0,0,0|1,0,0]=3 20591 B13R0.150 CCCCCCCCNC(C)C(C)C 2230a_100000211541_100000210759 [0,2,0,0,0,0|1,0,1]=4 20592 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [0,2,0,0,0,0|1,0,0]=3 20593 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [0,2,0,0,0,0|1,0,0]=3 20594 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [0,2,0,0,0,0|1,0,0]=3 20595 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,2,0,0,0,0|1,0,0]=3 20596 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [0,2,0,0,0,0|1,0,0]=3 20597 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [0,2,0,0,0,0|1,0,0]=3 20598 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,2,0,0,0,0|0,0,0]=2 20599 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,2,0,0,0,0|0,0,0]=2 20600 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [0,2,0,0,0,0|1,0,0]=3 20601 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [0,2,0,0,0,0|1,0,0]=3 20602 B13R0.150 CCCCCCCCOC(C)C(C)C 7a_100000748068_100000210759 [0,2,0,0,0,0|1,0,1]=4 20603 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [0,2,0,0,0,0|1,0,0]=3 20604 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [0,2,0,0,0,0|1,0,0]=3 20605 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [0,2,0,0,0,0|1,0,0]=3 20606 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [0,2,0,0,0,0|1,0,0]=3 20607 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [0,2,0,0,0,0|1,0,0]=3 20608 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [0,2,0,0,0,0|1,0,0]=3 20609 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [0,2,0,0,0,0|0,0,0]=2 20610 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [0,2,0,0,0,0|0,0,0]=2 20611 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [0,2,0,0,0,0|1,0,0]=3 20612 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [0,2,0,0,0,0|1,0,0]=3 20613 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [0,2,0,0,0,0|1,0,0]=3 20614 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [0,2,0,0,0,0|1,0,0]=3 20615 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [0,2,0,0,0,0|1,0,0]=3 20616 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [0,2,0,0,0,0|1,0,0]=3 20617 B13R0.150 CCCCCCCNCC(=O)C(C)C 2230a_100000229938_100000753385 [0,2,0,0,0,0|1,0,0]=3 20618 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100000229938_100000185267 [0,2,0,0,0,0|1,0,0]=3 20619 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210681 [0,2,0,0,0,0|1,0,0]=3 20620 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,2,0,0,0,0|1,0,0]=3 20621 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,2,0,0,0,0|1,0,0]=3 20622 B13R0.150 CCCCCCCNCC(O)C(C)C 2230a_100000759067_100000210681 [0,2,0,0,0,0|1,0,1]=4 20623 B13R0.150 CCCCCCCNCC(O)C(C)C 34a_100000759067_100000210614 [0,2,0,0,0,0|1,0,1]=4 20624 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [0,2,0,0,0,0|0,0,1]=3 20625 B13R0.150 CCCCCCCOCC(=O)C(C)C 34a_100000210272_100000753385 [0,2,0,0,0,0|1,0,0]=3 20626 B13R0.150 CCCCCCCOCC(=O)C(C)C 7a_100000210272_100000753385 [0,2,0,0,0,0|1,0,0]=3 20627 B13R0.150 CCCCCCCOCC(=O)N(C)C 34a_100000210272_100000692301 [0,2,0,0,0,0|1,0,0]=3 20628 B13R0.150 CCCCCCCOCC(=O)N(C)C 7a_100000210272_100000692301 [0,2,0,0,0,0|1,0,0]=3 20629 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [0,2,0,0,0,0|0,0,0]=2 20630 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [0,2,0,0,0,0|0,0,0]=2 20631 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210614 [0,2,0,0,0,0|1,0,1]=4 20632 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210614 [0,2,0,0,0,0|1,0,1]=4 20633 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [0,2,0,0,0,0|1,0,0]=3 20634 B13R0.150 CCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000210614 [0,2,0,0,0,0|1,0,1]=4 20635 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [0,2,0,0,0,0|0,0,1]=3 20636 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [0,2,0,0,0,0|0,0,1]=3 20637 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000210614_100000753385 [0,2,0,0,0,0|1,0,0]=3 20638 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210316 [0,2,0,0,0,0|1,0,0]=3 20639 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000210614_100000692301 [0,2,0,0,0,0|1,0,0]=3 20640 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210316 [0,2,0,0,0,0|1,0,0]=3 20641 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000210581_100000737620 [0,2,0,0,0,0|1,0,0]=3 20642 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210314 [0,2,0,0,0,0|1,0,0]=3 20643 B13R0.150 CCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210314 [0,2,0,0,0,0|1,0,0]=3 20644 B13R0.150 CCCCCCOCCC(=O)N(C)C 7a_100000210259_100000737620 [0,2,0,0,0,0|1,0,0]=3 20645 B13R0.150 CCCCCCOCCC(N)C(C)C 34a_100161115045_100000210314 [0,2,0,0,0,0|1,0,1]=4 20646 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000210314_100000737620 [0,2,0,0,0,0|1,0,0]=3 20647 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210757 [0,2,0,0,0,0|1,0,0]=3 20648 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210757 [0,2,0,0,0,0|2,0,0]=4 20649 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000210314_100000139345 [0,2,0,0,0,0|2,0,0]=4 20650 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_100000209983_100000737642 [0,2,0,0,0,0|1,0,0]=3 20651 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210326 [0,2,0,0,0,0|1,0,0]=3 20652 B13R0.150 CCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210326 [0,2,0,0,0,0|2,0,0]=4 20653 B13R0.150 CCCCCNCCNC(=O)C(C)C 34a_100000752568_100000718602 [0,2,0,0,0,0|2,0,0]=4 20654 B13R0.150 CCCCCNCCOC(C)C(=O)N 34a_100000224656_100000702099 [0,2,0,0,0,0|2,0,0]=4 20655 B13R0.150 CCCCCNCCOC(F)C(=O)N 34a_100000224656_100009813875 [0,2,0,0,0,0|2,0,0]=4 20656 B13R0.150 CCCCCNCCOC(F)C(=O)[O-] 34a_100000224656_100020610796 [0,2,0,0,0,0|2,0,0]=4 20657 B13R0.150 CCCCCOCCCC(=O)N(C)C 7a_100000210253_100000737642 [0,2,0,0,0,0|1,0,0]=3 20658 B13R0.150 CCCCCOCCOC(C)C(=O)C 7a_100011215259_100000179758 [0,2,0,0,0,0|1,0,0]=3 20659 B13R0.150 CCCCCOCCOC(C)C(=O)N 34a_100011215259_100000702099 [0,2,0,0,0,0|2,0,0]=4 20660 B13R0.150 CCCCCOCCOC(C)C(=O)N 7a_100011215259_100000702099 [0,2,0,0,0,0|2,0,0]=4 20661 B13R0.150 CCCCCOCCOC(F)C(=O)N 34a_100011215259_100009813875 [0,2,0,0,0,0|2,0,0]=4 20662 B13R0.150 CCCCCOCCOC(F)C(=O)N 7a_100011215259_100009813875 [0,2,0,0,0,0|2,0,0]=4 20663 B13R0.150 CCCCCOCCOC(F)C(=O)[O-] 34a_100011215259_100020610796 [0,2,0,0,0,0|2,0,0]=4 20664 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000210326_100000737642 [0,2,0,0,0,0|1,0,0]=3 20665 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210326 [0,2,0,0,0,0|1,0,0]=3 20666 B13R0.150 CCCCNCCCCC(=O)N(C)C 7a_106832991798_100000752486 [0,2,0,0,0,0|1,0,0]=3 20667 B13R0.150 CCCCOCCCCC(=O)N(C)C 34a_100000210227_100000752486 [0,2,0,0,0,0|1,0,0]=3 20668 B13R0.150 CCCCOCCCCC(=O)N(C)C 7a_100000210227_100000752486 [0,2,0,0,0,0|1,0,0]=3 20669 B13R0.150 CCCCOCCCNC(=O)C(C)C 1626a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 20670 B13R0.150 CCCCOCCCNC(=O)C(C)C 240690a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 20671 B13R0.150 CCCCOCCCNC(=O)C(C)C 527a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 20672 B13R0.150 CCCCOCCCNC(=O)C(C)F 1626a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 20673 B13R0.150 CCCCOCCCNC(=O)C(C)F 240690a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 20674 B13R0.150 CCCCOCCCNC(=O)C(C)F 527a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 20675 B13R0.150 CCCCOCCCNC(=O)C(F)F 1626a_200000211371_100000210393 [0,2,0,0,0,0|2,0,0]=4 20676 B13R0.150 CCCCOCCCNC(=O)C(F)F 240690a_200000211371_100000210393 [0,2,0,0,0,0|2,0,0]=4 20677 B13R0.150 CCCCOCCCNC(=O)C(F)F 527a_200000211371_100000210393 [0,2,0,0,0,0|2,0,0]=4 20678 B13R0.150 CCCCOCCCNC(=O)C(O)O 240690a_200000211371_100000233687 [0,2,0,0,0,0|2,0,0]=4 20679 B13R0.150 CCCCOCCCNC(=O)N(C)C 2708a_200000211371_100102631434 [0,2,0,0,0,0|2,0,0]=4 20680 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O 240690a_200000211371_100000717761 [0,2,0,0,0,0|2,0,0]=4 20681 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 1626a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 20682 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 240690a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 20683 B13R0.150 CCCCOCCCNC(C)C(=O)C 2230a_200000211371_100009814033 [0,2,0,0,0,0|1,0,0]=3 20684 B13R0.150 CCCCOCCCNC(C)C(=O)N 2230a_200000211371_100000702099 [0,2,0,0,0,0|2,0,0]=4 20685 B13R0.150 CCCCOCCCNC(C)C(=O)N 34a_200000211371_100000702099 [0,2,0,0,0,0|2,0,0]=4 20686 B13R0.150 CCCCOCCCNC(F)C(=O)N 2230a_200000211371_100009813875 [0,2,0,0,0,0|2,0,0]=4 20687 B13R0.150 CCCCOCCCNC(F)C(=O)N 34a_200000211371_100009813875 [0,2,0,0,0,0|2,0,0]=4 20688 B13R0.150 CCCCOCCCNC(F)C(=O)[O-] 34a_200000211371_100020610796 [0,2,0,0,0,0|2,0,0]=4 20689 B13R0.150 CCCCOCCCOC(C)C(=O)C 7a_200011215613_100000179758 [0,2,0,0,0,0|1,0,0]=3 20690 B13R0.150 CCCCOCCCOC(C)C(=O)N 34a_200011215613_100000702099 [0,2,0,0,0,0|2,0,0]=4 20691 B13R0.150 CCCCOCCCOC(C)C(=O)N 7a_200011215613_100000702099 [0,2,0,0,0,0|2,0,0]=4 20692 B13R0.150 CCCCOCCCOC(F)C(=O)N 34a_200011215613_100009813875 [0,2,0,0,0,0|2,0,0]=4 20693 B13R0.150 CCCCOCCCOC(F)C(=O)N 7a_200011215613_100009813875 [0,2,0,0,0,0|2,0,0]=4 20694 B13R0.150 CCCCOCCCOC(F)C(=O)[O-] 34a_200011215613_100020610796 [0,2,0,0,0,0|2,0,0]=4 20695 B13R0.150 CCCCOCCNCC(=O)N(C)C 2230a_100015183351_100000743108 [0,2,0,0,0,0|2,0,0]=4 20696 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [0,2,0,0,0,0|2,0,0]=4 20697 B13R0.150 CCCCOCCNCC(F)C(=O)O 269956a_100000084737_100000743108 [0,2,0,0,0,0|2,0,0]=4 20698 B13R0.150 CCCCOCCOCC(=O)C(=O)C 34a_100000210238_100011261029 [0,2,0,0,0,0|1,0,1]=4 20699 B13R0.150 CCCCOCCOCC(=O)C(C)C 1458a_100011216887_100000210206 [0,2,0,0,0,0|2,0,0]=4 20700 B13R0.150 CCCCOCCOCC(=O)C(C)C 34a_100000210238_100000753385 [0,2,0,0,0,0|2,0,0]=4 20701 B13R0.150 CCCCOCCOCC(=O)C(C)C 7a_100000210238_100000753385 [0,2,0,0,0,0|2,0,0]=4 20702 B13R0.150 CCCCOCCOCC(=O)N(C)C 11a_100102631434_100011216887 [0,2,0,0,0,0|2,0,0]=4 20703 B13R0.150 CCCCOCCOCC(=O)N(C)C 1626a_100102631434_100011216887 [0,2,0,0,0,0|2,0,0]=4 20704 B13R0.150 CCCCOCCOCC(=O)N(C)C 240690a_100102631434_100011216887 [0,2,0,0,0,0|2,0,0]=4 20705 B13R0.150 CCCCOCCOCC(=O)N(C)C 34a_100000210238_100000692301 [0,2,0,0,0,0|2,0,0]=4 20706 B13R0.150 CCCCOCCOCC(=O)N(C)C 527a_100102631434_100011216887 [0,2,0,0,0,0|2,0,0]=4 20707 B13R0.150 CCCCOCCOCC(=O)N(C)C 7a_100000210238_100000692301 [0,2,0,0,0,0|2,0,0]=4 20708 B13R0.150 CCCCOCCOCC(C)C(=O)C 34a_100000032740_100000743108 [0,2,0,0,0,0|1,0,0]=3 20709 B13R0.150 CCCCOCCOCC(C)C(=O)C 7a_100000032740_100000743108 [0,2,0,0,0,0|1,0,0]=3 20710 B13R0.150 CCCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000743108 [0,2,0,0,0,0|2,0,0]=4 20711 B13R0.150 CCCCOCCSCC(=O)C(=O)C 62a_100000743108_100011261029 [0,2,0,0,0,0|1,0,1]=4 20712 B13R0.150 CCCCOCCSCC(=O)C(=O)C 62a_100011261029_100000743108 [0,2,0,0,0,0|1,0,1]=4 20713 B13R0.150 CCCCOCCSCC(=O)C(C)C 62a_100000743108_100000753385 [0,2,0,0,0,0|2,0,0]=4 20714 B13R0.150 CCCCOCCSCC(=O)C(C)C 62a_100000753385_100000743108 [0,2,0,0,0,0|2,0,0]=4 20715 B13R0.150 CCCCOCCSCC(=O)N(C)C 62a_100000692301_100000743108 [0,2,0,0,0,0|2,0,0]=4 20716 B13R0.150 CCCCOCCSCC(=O)N(C)C 62a_100000743108_100000692301 [0,2,0,0,0,0|2,0,0]=4 20717 B13R0.150 CCCCOCNCCC(=O)N(C)C 2230a_100000738053_100011995733 [0,2,0,0,0,0|2,0,0]=4 20718 B13R0.150 CCCCOCOCCC(=O)N(C)C 34a_200000747469_100011995733 [0,2,0,0,0,0|2,0,0]=4 20719 B13R0.150 CCCCOCSCCC(=O)N(C)C 62a_100000737620_100011995733 [0,2,0,0,0,0|2,0,0]=4 20720 B13R0.150 CCCCOCSCCC(=O)N(C)C 62a_100011995733_100000737620 [0,2,0,0,0,0|2,0,0]=4 20721 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000210211_100000752486 [0,2,0,0,0,0|1,0,0]=3 20722 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210210 [0,2,0,0,0,0|1,0,0]=3 20723 B13R0.150 CCCCSCCNCC(=O)C(C)C 2230a_100025743550_100000753385 [0,2,0,0,0,0|2,0,0]=4 20724 B13R0.150 CCCCSCCNCC(=O)N(C)C 2230a_100025743550_100000185267 [0,2,0,0,0,0|2,0,0]=4 20725 B13R0.150 CCCCSCCOCC(=O)C(=O)C 34a_200000230436_100011261029 [0,2,0,0,0,0|1,0,1]=4 20726 B13R0.150 CCCCSCCOCC(=O)C(C)C 34a_200000230436_100000753385 [0,2,0,0,0,0|2,0,0]=4 20727 B13R0.150 CCCCSCCOCC(=O)C(C)C 7a_200000230436_100000753385 [0,2,0,0,0,0|2,0,0]=4 20728 B13R0.150 CCCCSCCOCC(=O)N(C)C 34a_200000230436_100000692301 [0,2,0,0,0,0|2,0,0]=4 20729 B13R0.150 CCCCSCCOCC(=O)N(C)C 7a_200000230436_100000692301 [0,2,0,0,0,0|2,0,0]=4 20730 B13R0.150 CCCOCCCNCC(=O)C(=O)C 34a_100011217757_100011261029 [0,2,0,0,0,0|1,0,1]=4 20731 B13R0.150 CCCOCCCNCC(=O)C(C)C 2230a_100011217757_100000753385 [0,2,0,0,0,0|2,0,0]=4 20732 B13R0.150 CCCOCCCNCC(=O)C(C)C 34a_100011217757_100000753385 [0,2,0,0,0,0|2,0,0]=4 20733 B13R0.150 CCCOCCCNCC(=O)N(C)C 2230a_100011217757_100000185267 [0,2,0,0,0,0|2,0,0]=4 20734 B13R0.150 CCCOCCCNCC(=O)N(C)C 34a_100011217757_100000692301 [0,2,0,0,0,0|2,0,0]=4 20735 B13R0.150 CCCOCCNCCC(=O)N(C)C 2230a_100000738053_100011215938 [0,2,0,0,0,0|2,0,0]=4 20736 B13R0.150 CCCOCCNCCC(=O)N(C)C 2230a_100161115042_100000737620 [0,2,0,0,0,0|2,0,0]=4 20737 B13R0.150 CCCOCCOCCC(=O)N(C)C 34a_200000747469_100011215938 [0,2,0,0,0,0|2,0,0]=4 20738 B13R0.150 CCCOCCOCCC(=O)N(C)C 7a_100000752267_100000737620 [0,2,0,0,0,0|2,0,0]=4 20739 B13R0.150 CCCOCCSCCC(=O)N(C)C 62a_100000737620_100011215938 [0,2,0,0,0,0|2,0,0]=4 20740 B13R0.150 CCCOCCSCCC(=O)N(C)C 62a_100011215938_100000737620 [0,2,0,0,0,0|2,0,0]=4 20741 B13R0.150 CCCSCCNCCC(=O)N(C)C 2230a_100020603323_100000737620 [0,2,0,0,0,0|2,0,0]=4 20742 B13R0.150 CCCSCCOCCC(=O)N(C)C 7a_200000230433_100000737620 [0,2,0,0,0,0|2,0,0]=4 20743 B13R0.150 CCOCCCNCCC(=O)N(C)C 2230a_100000210961_100000737620 [0,2,0,0,0,0|2,0,0]=4 20744 B13R0.150 CCOCCCNCCC(=O)N(C)C 2230a_100000738053_100012232248 [0,2,0,0,0,0|2,0,0]=4 20745 B13R0.150 CCOCCCOCCC(=O)N(C)C 34a_200000747469_100012232248 [0,2,0,0,0,0|2,0,0]=4 20746 B13R0.150 CCOCCCOCCC(=O)N(C)C 7a_100000757476_100000737620 [0,2,0,0,0,0|2,0,0]=4 20747 B13R0.150 CCOCCCSCCC(=O)N(C)C 62a_100000737620_100012232248 [0,2,0,0,0,0|2,0,0]=4 20748 B13R0.150 CCOCCCSCCC(=O)N(C)C 62a_100012232248_100000737620 [0,2,0,0,0,0|2,0,0]=4 20749 B13R0.150 CCOCCNCCCC(=O)N(C)C 2230a_102516460346_100000737642 [0,2,0,0,0,0|2,0,0]=4 20750 B13R0.150 CCOCCNCCCC(=O)N(C)C 2230a_200000744827_100011215890 [0,2,0,0,0,0|2,0,0]=4 20751 B13R0.150 CCOCCOCCCC(=O)N(C)C 7a_100000210136_100000737642 [0,2,0,0,0,0|2,0,0]=4 20752 B13R0.150 CCOCCOCCNC(C)C(=O)C 2230a_100102712874_100009814033 [0,2,0,0,0,0|2,0,0]=4 20753 B13R0.150 CCOCCOCCOC(C)C(=O)C 34a_100000212229_100011211534 [0,2,0,0,0,0|2,0,0]=4 20754 B13R0.150 CCOCCOCCOC(C)C(=O)C 7a_100000210240_100000179758 [0,2,0,0,0,0|2,0,0]=4 20755 B13R0.150 CCOCCOCCSC(C)C(=O)C 62a_100009814033_100011211534 [0,2,0,0,0,0|2,0,0]=4 20756 B13R0.150 CCOCCOCCSC(C)C(=O)C 62a_100011211534_100009814033 [0,2,0,0,0,0|2,0,0]=4 20757 B13R0.150 CCOCCSCCCC(=O)N(C)C 62a_100000210147_100000737642 [0,2,0,0,0,0|2,0,0]=4 20758 B13R0.150 CCOCCSCCCC(=O)N(C)C 62a_100000737642_100011215890 [0,2,0,0,0,0|2,0,0]=4 20759 B13R0.150 CCOCSCCCCC(=O)N(C)C 62a_100000739092_100000752486 [0,2,0,0,0,0|2,0,0]=4 20760 B13R0.150 CCOCSCCCCC(=O)N(C)C 62a_100000752486_100000739092 [0,2,0,0,0,0|2,0,0]=4 20761 B13R0.150 CCSCCCOCCC(=O)N(C)C 7a_100011216438_100000737620 [0,2,0,0,0,0|2,0,0]=4 20762 B13R0.150 CCSCCNCCCC(=O)N(C)C 2230a_100000106463_100000737642 [0,2,0,0,0,0|2,0,0]=4 20763 B13R0.150 CCSCCNCCCC(=O)N(C)C 2230a_200000744827_100000757381 [0,2,0,0,0,0|2,0,0]=4 20764 B13R0.150 CCSCCOCCCC(=O)N(C)C 7a_100000212035_100000737642 [0,2,0,0,0,0|2,0,0]=4 20765 B13R0.150 CCSCCSCCCC(=O)N(C)C 62a_100000737642_100000757381 [0,2,0,0,0,0|2,0,0]=4 20766 B13R0.150 CCSCCSCCCC(=O)N(C)C 62a_100000757381_100000737642 [0,2,0,0,0,0|2,0,0]=4 20767 B13R0.150 CN(C)C(=O)CCCCCCCCO 240690a_100102631434_100000015970 [0,2,0,0,0,0|1,0,0]=3 20768 B13R0.150 CN(C)C(=O)CCCCNCCCF 34a_100015189416_100000752486 [0,2,0,0,0,0|2,0,0]=4 20769 B13R0.150 CN(C)C(=O)CCCCOCCCBr 34a_100011217188_100000752486 [0,2,0,0,0,0|2,0,0]=4 20770 B13R0.150 CN(C)C(=O)CCCCOCCCCl 34a_100000230001_100000752486 [0,2,0,0,0,0|2,0,0]=4 20771 B13R0.150 CN(C)C(=O)CCCCOCCCF 34a_100000759539_100000752486 [0,2,0,0,0,0|2,0,0]=4 20772 B13R0.150 CN(C)C(=O)CCCCOCCCN 34a_100000182051_100000752486 [0,2,0,0,0,0|2,0,0]=4 20773 B13R0.150 CN(C)C(=O)CCCCSCCCF 62a_100000752486_100011934791 [0,2,0,0,0,0|2,0,0]=4 20774 B13R0.150 CN(C)C(=O)CCCCSCCCF 62a_100011934791_100000752486 [0,2,0,0,0,0|2,0,0]=4 20775 B13R0.150 CN(C)C(=O)CCCCSCCCO 62a_100000752486_100011215043 [0,2,0,0,0,0|2,0,0]=4 20776 B13R0.150 CN(C)C(=O)CCCCSCCCO 62a_100011215043_100000752486 [0,2,0,0,0,0|2,0,0]=4 20777 B13R0.150 CN(C)C(=O)CCCNCCCCF 2230a_200000744827_100000729493 [0,2,0,0,0,0|2,0,0]=4 20778 B13R0.150 CN(C)C(=O)CCCNCCCCO 2230a_100000750430_100000737642 [0,2,0,0,0,0|2,0,0]=4 20779 B13R0.150 CN(C)C(=O)CCCNCCCCO 2230a_200000744827_100000210776 [0,2,0,0,0,0|2,0,0]=4 20780 B13R0.150 CN(C)C(=O)CCCOCCCCCl 7a_100000210776_100000737642 [0,2,0,0,0,0|2,0,0]=4 20781 B13R0.150 CN(C)C(=O)CCCOCCCCF 7a_100011995726_100000737642 [0,2,0,0,0,0|2,0,0]=4 20782 B13R0.150 CN(C)C(=O)CCCSCCCCF 62a_100000729493_100000737642 [0,2,0,0,0,0|2,0,0]=4 20783 B13R0.150 CN(C)C(=O)CCCSCCCCF 62a_100000737642_100000729493 [0,2,0,0,0,0|2,0,0]=4 20784 B13R0.150 CN(C)C(=O)CCCSCCCCO 62a_100000210776_100000737642 [0,2,0,0,0,0|2,0,0]=4 20785 B13R0.150 CN(C)C(=O)CCCSCCCCO 62a_100000737642_100000210776 [0,2,0,0,0,0|2,0,0]=4 20786 B13R0.150 CN(C)C(=O)CCNCCCCCF 2230a_100000738053_100000729378 [0,2,0,0,0,0|2,0,0]=4 20787 B13R0.150 CN(C)C(=O)CCNCCCCCO 2230a_100000738053_100000746330 [0,2,0,0,0,0|2,0,0]=4 20788 B13R0.150 CN(C)C(=O)CCNCCCCCO 2230a_100000762737_100000737620 [0,2,0,0,0,0|2,0,0]=4 20789 B13R0.150 CN(C)C(=O)CCOCCCCCBr 7a_100000746331_100000737620 [0,2,0,0,0,0|2,0,0]=4 20790 B13R0.150 CN(C)C(=O)CCOCCCCCCl 7a_100000746330_100000737620 [0,2,0,0,0,0|2,0,0]=4 20791 B13R0.150 CN(C)C(=O)CCOCCCCCF 34a_200000747469_100000729378 [0,2,0,0,0,0|2,0,0]=4 20792 B13R0.150 CN(C)C(=O)CCOCCCCCI 7a_200012148887_100000737620 [0,2,0,0,0,0|2,0,0]=4 20793 B13R0.150 CN(C)C(=O)CCOCCCCCO 34a_200000747469_100000746330 [0,2,0,0,0,0|2,0,0]=4 20794 B13R0.150 CN(C)C(=O)CCSCCCCCF 62a_100000729378_100000737620 [0,2,0,0,0,0|2,0,0]=4 20795 B13R0.150 CN(C)C(=O)CCSCCCCCF 62a_100000737620_100000729378 [0,2,0,0,0,0|2,0,0]=4 20796 B13R0.150 CN(C)C(=O)CCSCCCCCO 62a_100000737620_100000746330 [0,2,0,0,0,0|2,0,0]=4 20797 B13R0.150 CN(C)C(=O)CCSCCCCCO 62a_100000746330_100000737620 [0,2,0,0,0,0|2,0,0]=4 20798 B13R0.150 CN(C)C(=O)CNCCCCCCF 2230a_100015183351_100015922095 [0,2,0,0,0,0|2,0,0]=4 20799 B13R0.150 CN(C)C(=O)CNCCCCCCO 2230a_100000686447_100000185267 [0,2,0,0,0,0|2,0,0]=4 20800 B13R0.150 CN(C)C(=O)CNCCCCCCO 2230a_100015183351_100000766143 [0,2,0,0,0,0|2,0,0]=4 20801 B13R0.150 CN(C)C(=O)CNCCCCCCO 34a_100000686447_100000692301 [0,2,0,0,0,0|2,0,0]=4 20802 B13R0.150 CN(C)C(=O)COCCCCCCBr 34a_100011215345_100000692301 [0,2,0,0,0,0|2,0,0]=4 20803 B13R0.150 CN(C)C(=O)COCCCCCCBr 7a_100011215345_100000692301 [0,2,0,0,0,0|2,0,0]=4 20804 B13R0.150 CN(C)C(=O)COCCCCCCCl 34a_100000766143_100000692301 [0,2,0,0,0,0|2,0,0]=4 20805 B13R0.150 CN(C)C(=O)COCCCCCCCl 7a_100000766143_100000692301 [0,2,0,0,0,0|2,0,0]=4 20806 B13R0.150 CN(C)C(=O)COCCCCCCF 34a_100000732779_100000692301 [0,2,0,0,0,0|2,0,0]=4 20807 B13R0.150 CN(C)C(=O)COCCCCCCF 7a_100000732779_100000692301 [0,2,0,0,0,0|2,0,0]=4 20808 B13R0.150 CN(C)C(=O)COCCCCCCN 34a_100000686447_100000692301 [0,2,0,0,0,0|2,0,0]=4 20809 B13R0.150 CN(C)C(=O)CSCCCCCCF 62a_100000692301_100015922095 [0,2,0,0,0,0|2,0,0]=4 20810 B13R0.150 CN(C)C(=O)CSCCCCCCF 62a_100015922095_100000692301 [0,2,0,0,0,0|2,0,0]=4 20811 B13R0.150 CN(C)C(=O)CSCCCCCCO 62a_100000692301_100000766143 [0,2,0,0,0,0|2,0,0]=4 20812 B13R0.150 CN(C)C(=O)CSCCCCCCO 62a_100000766143_100000692301 [0,2,0,0,0,0|2,0,0]=4 20813 B13R0.150 CN(C)C(=O)NCCCCCCCO 2708a_100011996573_100102631434 [0,2,0,0,0,0|2,0,0]=4 20814 B13R0.150 CNCCCCCOCC(=O)C(=O)C 34a_100000722520_100011261029 [0,2,0,0,0,0|1,0,1]=4 20815 B13R0.150 CNCCCCCOCC(=O)C(C)C 34a_100000722520_100000753385 [0,2,0,0,0,0|2,0,0]=4 20816 B13R0.150 CNCCCCCOCC(=O)N(C)C 34a_100000722520_100000692301 [0,2,0,0,0,0|2,0,0]=4 20817 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,2,0,0,0,0|2,0,0]=4 20818 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011998445 [0,2,0,0,0,0|2,0,0]=4 20819 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011998445 [0,2,0,0,0,0|2,0,0]=4 20820 B13R0.150 COCCCCCCOC(C)C(=O)C 34a_100000212229_100011998445 [0,2,0,0,0,0|1,0,0]=3 20821 B13R0.150 COCCCCCCOC(C)C(=O)C 7a_200012092642_100000179758 [0,2,0,0,0,0|1,0,0]=3 20822 B13R0.150 COCCCCCCOC(C)C(=O)N 34a_200012092642_100000702099 [0,2,0,0,0,0|2,0,0]=4 20823 B13R0.150 COCCCCCCOC(C)C(=O)N 7a_200012092642_100000702099 [0,2,0,0,0,0|2,0,0]=4 20824 B13R0.150 COCCCCCCOC(F)C(=O)N 34a_200012092642_100009813875 [0,2,0,0,0,0|2,0,0]=4 20825 B13R0.150 COCCCCCCOC(F)C(=O)N 7a_200012092642_100009813875 [0,2,0,0,0,0|2,0,0]=4 20826 B13R0.150 COCCCCCCOC(F)C(=O)[O-] 34a_200012092642_100020610796 [0,2,0,0,0,0|2,0,0]=4 20827 B13R0.150 COCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011998445 [0,2,0,0,0,0|2,0,0]=4 20828 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011998445 [0,2,0,0,0,0|2,0,0]=4 20829 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011998445 [0,2,0,0,0,0|2,0,0]=4 20830 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100009814033_100011998445 [0,2,0,0,0,0|1,0,0]=3 20831 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100011998445_100009814033 [0,2,0,0,0,0|1,0,0]=3 20832 B13R0.150 COCCCCCCSC(C)C(=O)N 62a_100000702099_100011998445 [0,2,0,0,0,0|2,0,0]=4 20833 B13R0.150 COCCCCCCSC(C)C(=O)N 62a_100011998445_100000702099 [0,2,0,0,0,0|2,0,0]=4 20834 B13R0.150 COCCCCCCSC(F)C(=O)N 62a_100009813875_100011998445 [0,2,0,0,0,0|2,0,0]=4 20835 B13R0.150 COCCCCCCSC(F)C(=O)N 62a_100011998445_100009813875 [0,2,0,0,0,0|2,0,0]=4 20836 B13R0.150 COCCCCCCSC(F)C(=O)[O-] 62a_100011998445_100020610796 [0,2,0,0,0,0|2,0,0]=4 20837 B13R0.150 COCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011998445 [0,2,0,0,0,0|2,0,0]=4 20838 B13R0.150 COCCCCCNCC(=O)C(=O)C 34a_100000747528_100011261029 [0,2,0,0,0,0|1,0,1]=4 20839 B13R0.150 COCCCCCNCC(=O)C(C)C 2230a_100000747528_100000753385 [0,2,0,0,0,0|2,0,0]=4 20840 B13R0.150 COCCCCCNCC(=O)C(C)C 34a_100000747528_100000753385 [0,2,0,0,0,0|2,0,0]=4 20841 B13R0.150 COCCCCCNCC(=O)N(C)C 2230a_100000747528_100000185267 [0,2,0,0,0,0|2,0,0]=4 20842 B13R0.150 COCCCCCNCC(=O)N(C)C 34a_100000747528_100000692301 [0,2,0,0,0,0|2,0,0]=4 20843 B13R0.150 COCCCCNCCC(=O)N(C)C 2230a_100000738053_100000730899 [0,2,0,0,0,0|2,0,0]=4 20844 B13R0.150 COCCCCOCCC(=O)N(C)C 34a_200000747469_100000755781 [0,2,0,0,0,0|2,0,0]=4 20845 B13R0.150 COCCCCSCCC(=O)N(C)C 62a_100000730899_100000737620 [0,2,0,0,0,0|2,0,0]=4 20846 B13R0.150 COCCCCSCCC(=O)N(C)C 62a_100000737620_100000730899 [0,2,0,0,0,0|2,0,0]=4 20847 B13R0.150 COCCCNCCCC(=O)N(C)C 2230a_200000744827_100000740836 [0,2,0,0,0,0|2,0,0]=4 20848 B13R0.150 COCCCSCCCC(=O)N(C)C 62a_100000709357_100000737642 [0,2,0,0,0,0|2,0,0]=4 20849 B13R0.150 COCCCSCCCC(=O)N(C)C 62a_100000737642_100000709357 [0,2,0,0,0,0|2,0,0]=4 20850 B13R0.150 COCCOCCCCC(=O)N(C)C 34a_100000210237_100000752486 [0,2,0,0,0,0|2,0,0]=4 20851 B13R0.150 COCCOCCCNC(C)C(=O)C 2230a_100000206027_100009814033 [0,2,0,0,0,0|2,0,0]=4 20852 B13R0.150 COCCOCCCOC(C)C(=O)C 34a_100000212229_100011216529 [0,2,0,0,0,0|2,0,0]=4 20853 B13R0.150 COCCOCCCSC(C)C(=O)C 62a_100009814033_100011216529 [0,2,0,0,0,0|2,0,0]=4 20854 B13R0.150 COCCOCCCSC(C)C(=O)C 62a_100011216529_100009814033 [0,2,0,0,0,0|2,0,0]=4 20855 B13R0.150 COCCOCCOCC(C)C(=O)C 34a_100000032740_100000695917 [0,2,0,0,0,0|2,0,0]=4 20856 B13R0.150 COCCOCCOCC(C)C(=O)C 7a_100000032740_100000695917 [0,2,0,0,0,0|2,0,0]=4 20857 B13R0.150 COCCSCCCCC(=O)N(C)C 62a_100000233755_100000752486 [0,2,0,0,0,0|2,0,0]=4 20858 B13R0.150 COCCSCCCCC(=O)N(C)C 62a_100000752486_100000233755 [0,2,0,0,0,0|2,0,0]=4 20859 B13R0.150 CSCCCCOCCC(=O)N(C)C 7a_100011217163_100000737620 [0,2,0,0,0,0|2,0,0]=4 20860 B13R0.150 CSCCCNCCCC(=O)N(C)C 2230a_100000749238_100000737642 [0,2,0,0,0,0|2,0,0]=4 20861 B13R0.150 CSCCCOCCCC(=O)N(C)C 7a_100000690336_100000737642 [0,2,0,0,0,0|2,0,0]=4 20862 B13R0.150 CSCCOCCCCC(=O)N(C)C 34a_100000230434_100000752486 [0,2,0,0,0,0|2,0,0]=4 20863 B13R0.150 CSCCOCCCCC(=O)N(C)C 7a_100000230434_100000752486 [0,2,0,0,0,0|2,0,0]=4 20864 B13R0.150 CSCCSCCCCC(=O)N(C)C 62a_100000212216_100000752486 [0,2,0,0,0,0|2,0,0]=4 20865 B13R0.150 CSCCSCCCCC(=O)N(C)C 62a_100000752486_100000751147 [0,2,0,0,0,0|2,0,0]=4 20866 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 2230a_100000119354_100000760002 [0,2,0,0,0,0|2,0,0]=4 20867 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 34a_100000119354_100000760002 [0,2,0,0,0,0|2,0,0]=4 20868 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [0,2,0,0,0,0|1,0,0]=3 20869 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000717761 [0,2,0,0,0,0|2,0,0]=4 20870 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 34a_100000731257_100000760002 [0,2,0,0,0,0|2,0,0]=4 20871 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 7a_100000731257_100000760002 [0,2,0,0,0,0|2,0,0]=4 20872 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,2,0,0,0,0|2,0,0]=4 20873 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [0,2,0,0,0,0|1,0,0]=3 20874 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_217856618621 [0,2,0,0,0,0|2,0,0]=4 20875 B13R0.150 C[C@H](OCCCCCCCO)C(=O)[O-] 7a_217856618621_100000760002 [0,2,0,0,0,0|2,0,0]=4 20876 B13R0.150 NC(=O)C(F)NCCCCCCCO 2230a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 20877 B13R0.150 NC(=O)C(F)NCCCCCCCO 34a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 20878 B13R0.150 NC(=O)C(F)OCCCCCCCBr 34a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 20879 B13R0.150 NC(=O)C(F)OCCCCCCCBr 7a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 20880 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 20881 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100009813875_100000760002 [0,2,0,0,0,0|2,0,0]=4 20882 B13R0.150 NC(=O)[C@@H](N)COCCCCCCF 34a_100000729942_100015922095 [0,2,0,0,0,0|2,0,0]=4 20883 B13R0.150 NC(=O)[C@@H](N)COCCCCCCO 34a_100000729942_100000766143 [0,2,0,0,0,0|2,0,0]=4 20884 B13R0.150 NCCCCCCCOC(F)C(=O)N 34a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 20885 B13R0.150 NCCCCCCCOC(F)C(=O)[O-] 34a_100011996573_100020610796 [0,2,0,0,0,0|2,0,0]=4 20886 B13R0.150 O=C(CCCCCCCCO)C(O)O 1458a_100000233687_100000033203 [0,2,0,0,0,0|1,0,0]=3 20887 B13R0.150 O=C(NCCCCCCCO)C(F)F 240690a_100011996573_100000210393 [0,2,0,0,0,0|2,0,0]=4 20888 B13R0.150 O=C(NCCCCCCCO)C(O)O 240690a_100011996573_100000233687 [0,2,0,0,0,0|2,0,0]=4 20889 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,2,0,0,0,0|2,0,0]=4 20890 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,2,0,0,0,0|2,0,0]=4 20891 B13R0.150 O=C([O-])C(F)NCCCCCCCO 34a_100011996573_100020610796 [0,2,0,0,0,0|2,0,0]=4 20892 B13R0.150 O=C([O-])C(F)OCCCCCCCBr 34a_100000760002_100020610796 [0,2,0,0,0,0|2,0,0]=4 20893 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100000760002_100020610796 [0,2,0,0,0,0|2,0,0]=4 20894 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100020610796_100000760002 [0,2,0,0,0,0|2,0,0]=4 20895 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,2,0,0,0,0|1,0,0]=3 20896 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,2,0,0,0,0|1,0,0]=3 20897 B13R0.154 C=C(C)CCC(=O)CCCCCCF 1458a_200000688413_100015922095 [0,2,0,0,0,0|1,0,1]=4 20898 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_100011996774_100000730704 [0,2,0,0,0,0|1,0,1]=4 20899 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_200000688413_100000766143 [0,2,0,0,0,0|1,0,1]=4 20900 B13R0.154 C=C(C)CCC(=O)CCCCCOC 1458a_100011935119_100000730704 [0,2,0,0,0,0|1,0,1]=4 20901 B13R0.154 C=C(C)CCC(=O)CCOCCCC 1458a_200000688413_100000743108 [0,2,0,0,0,0|1,0,1]=4 20902 B13R0.154 C=C(C)CCC(=O)NCCCCCC 11a_100000210581_200000688413 [0,2,0,0,0,0|1,0,1]=4 20903 B13R0.154 C=C(C)CCC(=O)NCCCCCC 1626a_100000210581_200000688413 [0,2,0,0,0,0|1,0,1]=4 20904 B13R0.154 C=C(C)CCC(=O)NCCCCCC 240690a_100000210581_200000688413 [0,2,0,0,0,0|1,0,1]=4 20905 B13R0.154 C=C(C)CCC(=O)NCCCCCC 527a_100000210581_200000688413 [0,2,0,0,0,0|1,0,1]=4 20906 B13R0.154 C=C(C)CCC(C)NCCCCCC 270004a_100000210581_100011215600 [0,2,0,0,0,0|1,0,0]=3 20907 B13R0.154 C=C(C)CCC(C)NCCCCCO 270004a_100000762737_100011215600 [0,2,0,0,0,0|2,0,0]=4 20908 B13R0.154 C=C(C)CCC(C)NCCCOCC 270004a_100000210961_100011215600 [0,2,0,0,0,0|2,0,0]=4 20909 B13R0.154 C=C(C)CCC(C)NCCOCCC 270004a_100161115042_100011215600 [0,2,0,0,0,0|2,0,0]=4 20910 B13R0.154 C=C(C)CCC(C)NCCSCCC 270004a_100020603323_100011215600 [0,2,0,0,0,0|2,0,0]=4 20911 B13R0.154 C=C(C)CCN(C)CCCCCCC 2230a_100000228206_100000730704 [0,2,0,0,0,0|1,0,0]=3 20912 B13R0.154 C=C(C)CCN(C)CCCCCCC 269982a_100000228206_100000730704 [0,2,0,0,0,0|1,0,0]=3 20913 B13R0.154 C=C(C)CNC(=O)CCCCCCC 11a_100000765925_100000211969 [0,2,0,0,0,0|1,0,1]=4 20914 B13R0.154 C=C(C)CNC(=O)CCCCCCC 1626a_100000765925_100000211969 [0,2,0,0,0,0|1,0,1]=4 20915 B13R0.154 C=C(C)CNC(=O)CCCCCCC 240690a_100000765925_100000211969 [0,2,0,0,0,0|1,0,1]=4 20916 B13R0.154 C=C(C)CNC(=O)CCCCCCC 527a_100000765925_100000211969 [0,2,0,0,0,0|1,0,1]=4 20917 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,2,0,0,0,0|1,0,0]=3 20918 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,2,0,0,0,0|1,0,0]=3 20919 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,2,0,0,0,0|1,0,0]=3 20920 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_100000748629_200011218727 [0,2,0,0,0,0|1,0,0]=3 20921 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_200011218727_100000211660 [0,2,0,0,0,0|1,0,0]=3 20922 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200010262243_200011218727 [0,2,0,0,0,0|1,0,1]=4 20923 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200011215852_100009893438 [0,2,0,0,0,0|1,0,1]=4 20924 B13R0.154 C=C(F)COC(C)CCCCCCC 7a_200011215852_100000042424 [0,2,0,0,0,0|1,0,1]=4 20925 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_100000042424_200011218727 [0,2,0,0,0,0|1,0,1]=4 20926 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_200011218727_100000042424 [0,2,0,0,0,0|1,0,1]=4 20927 B13R0.154 CC(=O)NCC(=O)CCCCCCF 1458a_100000194580_100015922095 [0,2,0,0,0,0|1,0,1]=4 20928 B13R0.154 CC(=O)NCC(=O)CCCCCCO 1458a_100000194580_100000766143 [0,2,0,0,0,0|1,0,1]=4 20929 B13R0.154 CC(=O)OCC(=O)CCCCCCF 1458a_100000183556_100015922095 [0,2,0,0,0,0|1,0,1]=4 20930 B13R0.154 CC(=O)OCC(=O)CCCCCCO 1458a_100000183556_100000766143 [0,2,0,0,0,0|1,0,1]=4 20931 B13R0.154 CC(=O)OCC(C)NCCCCCO 270004a_100000762737_100000000629 [0,2,0,0,0,0|2,0,0]=4 20932 B13R0.154 CC(=O)OCC(O)CNCCCCO 34a_100000750430_200000139349 [0,2,0,0,0,0|2,0,0]=4 20933 B13R0.154 CC(=O)OCC(O)COCCCCBr 34a_100011216708_200000139349 [0,2,0,0,0,0|2,0,0]=4 20934 B13R0.154 CC(=O)OCC(O)COCCCCCl 34a_100000210776_200000139349 [0,2,0,0,0,0|2,0,0]=4 20935 B13R0.154 CC(=O)OCC(O)COCCCCCl 7a_100000210776_200000139349 [0,2,0,0,0,0|2,0,0]=4 20936 B13R0.154 CC(=O)OCC(O)COCCCCF 34a_100011995726_200000139349 [0,2,0,0,0,0|2,0,0]=4 20937 B13R0.154 CC(=O)OCC(O)COCCCCF 7a_100011995726_200000139349 [0,2,0,0,0,0|2,0,0]=4 20938 B13R0.154 CC(=O)OCC(O)COCCCCI 34a_200012148704_200000139349 [0,2,0,0,0,0|2,0,0]=4 20939 B13R0.154 CC(=O)OCC(O)COCCCCN 34a_100000750430_200000139349 [0,2,0,0,0,0|2,0,0]=4 20940 B13R0.154 CC(=O)OCC(O)CSCCCCF 62a_100000729493_200000139349 [0,2,0,0,0,0|2,0,0]=4 20941 B13R0.154 CC(=O)OCC(O)CSCCCCF 62a_200000139349_100000729493 [0,2,0,0,0,0|2,0,0]=4 20942 B13R0.154 CC(=O)OCC(O)CSCCCCO 62a_100000210776_200000139349 [0,2,0,0,0,0|2,0,0]=4 20943 B13R0.154 CC(=O)OCC(O)CSCCCCO 62a_200000139349_100000210776 [0,2,0,0,0,0|2,0,0]=4 20944 B13R0.154 CC(=O)SCC(=O)CCCCCCF 1458a_100000049016_100015922095 [0,2,0,0,0,0|1,0,1]=4 20945 B13R0.154 CC(=O)SCC(=O)CCCCCCO 1458a_100000049016_100000766143 [0,2,0,0,0,0|1,0,1]=4 20946 B13R0.154 CC(=O)SCC(C)CNCCCCO 2230a_100000750430_200000116872 [0,2,0,0,0,0|2,0,0]=4 20947 B13R0.154 CC(=O)SCC(C)CNCCCCO 34a_100000750430_200000116872 [0,2,0,0,0,0|2,0,0]=4 20948 B13R0.154 CC(=O)SCC(C)COCCCCBr 34a_100011216708_200000116872 [0,2,0,0,0,0|2,0,0]=4 20949 B13R0.154 CC(=O)SCC(C)COCCCCCl 34a_100000210776_200000116872 [0,2,0,0,0,0|2,0,0]=4 20950 B13R0.154 CC(=O)SCC(C)COCCCCCl 7a_100000210776_200000116872 [0,2,0,0,0,0|2,0,0]=4 20951 B13R0.154 CC(=O)SCC(C)COCCCCF 34a_100011995726_200000116872 [0,2,0,0,0,0|2,0,0]=4 20952 B13R0.154 CC(=O)SCC(C)COCCCCF 7a_100011995726_200000116872 [0,2,0,0,0,0|2,0,0]=4 20953 B13R0.154 CC(=O)SCC(C)COCCCCI 34a_200012148704_200000116872 [0,2,0,0,0,0|2,0,0]=4 20954 B13R0.154 CC(=O)SCC(C)COCCCCN 34a_100000750430_200000116872 [0,2,0,0,0,0|2,0,0]=4 20955 B13R0.154 CC(=O)SCC(C)CSCCCCF 62a_100000729493_200000116872 [0,2,0,0,0,0|2,0,0]=4 20956 B13R0.154 CC(=O)SCC(C)CSCCCCF 62a_200000116872_100000729493 [0,2,0,0,0,0|2,0,0]=4 20957 B13R0.154 CC(=O)SCC(C)CSCCCCO 62a_100000210776_200000116872 [0,2,0,0,0,0|2,0,0]=4 20958 B13R0.154 CC(=O)SCC(C)CSCCCCO 62a_200000116872_100000210776 [0,2,0,0,0,0|2,0,0]=4 20959 B13R0.154 CCCCCCCC(=NNC(=O)C)C 4a_100000189765_100000210596 [0,2,0,0,0,0|1,0,1]=4 20960 B13R0.154 CCCCCCCC(=O)CC=C(C)C 1458a_100000211969_100000761012 [0,2,0,0,0,0|1,0,1]=4 20961 B13R0.154 CCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210614 [0,2,0,0,0,0|1,0,1]=4 20962 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|1,0,0]=3 20963 B13R0.154 CCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210614 [0,2,0,0,0,0|1,0,1]=4 20964 B13R0.154 CCCCCCCC(=O)CCC(C)C 1458a_100000211969_100000210312 [0,2,0,0,0,0|1,0,1]=4 20965 B13R0.154 CCCCCCCC(=O)CCC(C)O 1458a_100000211969_100012276601 [0,2,0,0,0,0|0,0,2]=4 20966 B13R0.154 CCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210614 [0,2,0,0,0,0|2,0,0]=4 20967 B13R0.154 CCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210614 [0,2,0,0,0,0|2,0,0]=4 20968 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [0,2,0,0,0,0|0,0,1]=3 20969 B13R0.154 CCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210614 [0,2,0,0,0,0|1,0,1]=4 20970 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [0,2,0,0,0,0|0,0,1]=3 20971 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [0,2,0,0,0,0|0,0,1]=3 20972 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,2,0,0,0,0|0,0,1]=3 20973 B13R0.154 CCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 20974 B13R0.154 CCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 20975 B13R0.154 CCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 20976 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,2,0,0,0,0|0,0,1]=3 20977 B13R0.154 CCCCCCCC(=O)NNC(=O)C 22a_100000181853_100000070787 [0,2,0,0,0,0|1,0,1]=4 20978 B13R0.154 CCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000211969 [0,2,0,0,0,0|1,0,1]=4 20979 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|0,0,1]=3 20980 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [0,2,0,0,0,0|1,0,0]=3 20981 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,2,0,0,0,0|1,0,0]=3 20982 B13R0.154 CCCCCCCC(C)NCC(C)C 2230a_100000210953_200011218727 [0,2,0,0,0,0|1,0,1]=4 20983 B13R0.154 CCCCCCCC(C)NCC(C)C 270004a_100000210953_100000210596 [0,2,0,0,0,0|1,0,1]=4 20984 B13R0.154 CCCCCCCC(C)NCC(C)C 34a_100000210953_200011218727 [0,2,0,0,0,0|1,0,1]=4 20985 B13R0.154 CCCCCCCC(C)NCC(C)O 2230a_100000210904_200011218727 [0,2,0,0,0,0|0,0,2]=4 20986 B13R0.154 CCCCCCCC(C)NCC(C)O 270004a_100000210904_100000210596 [0,2,0,0,0,0|0,0,2]=4 20987 B13R0.154 CCCCCCCC(C)NCC(C)O 34a_100000210904_200011218727 [0,2,0,0,0,0|0,0,2]=4 20988 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,2,0,0,0,0|0,0,0]=2 20989 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [0,2,0,0,0,0|1,0,0]=3 20990 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [0,2,0,0,0,0|1,0,0]=3 20991 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [0,2,0,0,0,0|1,0,0]=3 20992 B13R0.154 CCCCCCCC(C)OCC(C)Br 34a_100012180447_200011218727 [0,2,0,0,0,0|1,0,1]=4 20993 B13R0.154 CCCCCCCC(C)OCC(C)C 34a_100000210257_200011218727 [0,2,0,0,0,0|1,0,1]=4 20994 B13R0.154 CCCCCCCC(C)OCC(C)C 34a_200011215852_100000210624 [0,2,0,0,0,0|1,0,1]=4 20995 B13R0.154 CCCCCCCC(C)OCC(C)C 7a_200011215852_100000210760 [0,2,0,0,0,0|1,0,1]=4 20996 B13R0.154 CCCCCCCC(C)OCC(C)F 34a_100015925927_200011218727 [0,2,0,0,0,0|1,0,1]=4 20997 B13R0.154 CCCCCCCC(C)OCC(C)O 34a_200011215852_100011218427 [0,2,0,0,0,0|0,0,2]=4 20998 B13R0.154 CCCCCCCC(C)OCC(C)O 7a_200011215852_100011218427 [0,2,0,0,0,0|0,0,2]=4 20999 B13R0.154 CCCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218727 [0,2,0,0,0,0|1,0,1]=4 21000 B13R0.154 CCCCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218727 [0,2,0,0,0,0|1,0,1]=4 21001 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 34a_200011215852_100009817552 [0,2,0,0,0,0|0,0,2]=4 21002 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 7a_200011215852_100009817552 [0,2,0,0,0,0|0,0,2]=4 21003 B13R0.154 CCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215852_100000761209 [0,2,0,0,0,0|2,0,0]=4 21004 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [0,2,0,0,0,0|1,0,0]=3 21005 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [0,2,0,0,0,0|1,0,0]=3 21006 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [0,2,0,0,0,0|1,0,0]=3 21007 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [0,2,0,0,0,0|1,0,0]=3 21008 B13R0.154 CCCCCCCC(C)SCC(C)C 62a_100000210624_200011218727 [0,2,0,0,0,0|1,0,1]=4 21009 B13R0.154 CCCCCCCC(C)SCC(C)C 62a_200011218727_100000210760 [0,2,0,0,0,0|1,0,1]=4 21010 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_100011218427_200011218727 [0,2,0,0,0,0|0,0,2]=4 21011 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_200011218727_100011218427 [0,2,0,0,0,0|0,0,2]=4 21012 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218727 [0,2,0,0,0,0|0,0,2]=4 21013 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_200011218727_100009817552 [0,2,0,0,0,0|0,0,2]=4 21014 B13R0.154 CCCCCCCC(C)SC[N+](=O)[O-] 62a_200011218727_100000761209 [0,2,0,0,0,0|2,0,0]=4 21015 B13R0.154 CCCCCCCN(C)CC=C(C)C 2230a_100000228206_100000761012 [0,2,0,0,0,0|1,0,1]=4 21016 B13R0.154 CCCCCCCN(C)CC=C(C)C 269982a_100000228206_100000761012 [0,2,0,0,0,0|1,0,1]=4 21017 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [0,2,0,0,0,0|0,0,0]=2 21018 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [0,2,0,0,0,0|1,0,0]=3 21019 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [0,2,0,0,0,0|1,0,0]=3 21020 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [0,2,0,0,0,0|1,0,0]=3 21021 B13R0.154 CCCCCCCN(C)CCC(C)C 2230a_100000228206_100000210312 [0,2,0,0,0,0|1,0,1]=4 21022 B13R0.154 CCCCCCCN(C)CCC(C)C 2230a_100000742789_100000210681 [0,2,0,0,0,0|1,0,1]=4 21023 B13R0.154 CCCCCCCN(C)CCC(C)C 269982a_100000228206_100000210312 [0,2,0,0,0,0|1,0,1]=4 21024 B13R0.154 CCCCCCCN(C)CCC(C)C 269982a_100000742789_100000210681 [0,2,0,0,0,0|1,0,1]=4 21025 B13R0.154 CCCCCCCN(C)CCC(C)O 2230a_100000228206_100012276601 [0,2,0,0,0,0|0,0,2]=4 21026 B13R0.154 CCCCCCCN(C)CCC(C)O 269982a_100000228206_100012276601 [0,2,0,0,0,0|0,0,2]=4 21027 B13R0.154 CCCCCCCN(C)CCN(C)C 269982a_100000225618_100000210681 [0,2,0,0,0,0|2,0,0]=4 21028 B13R0.154 CCCCCCCN(C)CCN(C)C 269982a_100000228206_100000755713 [0,2,0,0,0,0|2,0,0]=4 21029 B13R0.154 CCCCCCCN(C)COC(=O)C 269982a_100000228206_100000076356 [0,2,0,0,0,0|1,0,0]=3 21030 B13R0.154 CCCCCCNC(=O)CCC(=O)N 240690a_100000210581_100011215257 [0,2,0,0,0,0|1,0,1]=4 21031 B13R0.154 CCCCCCNC(=O)CCC(=O)N 527a_100000210581_100011215257 [0,2,0,0,0,0|1,0,1]=4 21032 B13R0.154 CCCCCCNC(=O)CNC(=O)C 11a_100000210581_100000194580 [0,2,0,0,0,0|1,0,1]=4 21033 B13R0.154 CCCCCCNC(=O)CNC(=O)C 1626a_100000210581_100000194580 [0,2,0,0,0,0|1,0,1]=4 21034 B13R0.154 CCCCCCNC(=O)CNC(=O)C 240690a_100000210581_100000194580 [0,2,0,0,0,0|1,0,1]=4 21035 B13R0.154 CCCCCCNC(=O)CNC(=O)C 527a_100000210581_100000194580 [0,2,0,0,0,0|1,0,1]=4 21036 B13R0.154 CCCCCCNC(=O)COC(=O)C 1626a_100000210581_100000183556 [0,2,0,0,0,0|1,0,1]=4 21037 B13R0.154 CCCCCCNC(=O)COC(=O)C 240690a_100000210581_100000183556 [0,2,0,0,0,0|1,0,1]=4 21038 B13R0.154 CCCCCCNC(=O)COC(=O)C 527a_100000210581_100000183556 [0,2,0,0,0,0|1,0,1]=4 21039 B13R0.154 CCCCCCNC(=O)CSC(=O)C 11a_100000210581_100000049016 [0,2,0,0,0,0|1,0,1]=4 21040 B13R0.154 CCCCCCNC(=O)CSC(=O)C 1626a_100000210581_100000049016 [0,2,0,0,0,0|1,0,1]=4 21041 B13R0.154 CCCCCCNC(=O)CSC(=O)C 240690a_100000210581_100000049016 [0,2,0,0,0,0|1,0,1]=4 21042 B13R0.154 CCCCCCNC(C)CCC(C)C 2230a_100000210581_100011261404 [0,2,0,0,0,0|1,0,1]=4 21043 B13R0.154 CCCCCCNC(C)CCC(C)C 2230a_100138410893_100000210314 [0,2,0,0,0,0|1,0,1]=4 21044 B13R0.154 CCCCCCNC(C)CCC(C)C 270004a_100000210581_100000210476 [0,2,0,0,0,0|1,0,1]=4 21045 B13R0.154 CCCCCCNC(C)COC(=O)C 270004a_100000210581_100000000629 [0,2,0,0,0,0|1,0,0]=3 21046 B13R0.154 CCCCCCOC(C)CCC(C)C 34a_100000210259_100011261404 [0,2,0,0,0,0|1,0,1]=4 21047 B13R0.154 CCCCCCOC(C)CCC(C)C 34a_100011215350_100000210314 [0,2,0,0,0,0|1,0,1]=4 21048 B13R0.154 CCCCCCOC(C)CCC(C)C 7a_100011215350_100000210314 [0,2,0,0,0,0|1,0,1]=4 21049 B13R0.154 CCCCCCSC(C)CCC(C)C 62a_100000210314_100011261404 [0,2,0,0,0,0|1,0,1]=4 21050 B13R0.154 CCCCCCSC(C)CCC(C)C 62a_100011261404_100000210757 [0,2,0,0,0,0|1,0,1]=4 21051 B13R0.154 CCCCCNCC(C)CSC(=O)C 2230a_100000209983_200000116872 [0,2,0,0,0,0|1,0,0]=3 21052 B13R0.154 CCCCCOCC(=O)COC(=O)C 34a_100000210253_100000036994 [0,2,0,0,0,0|1,0,1]=4 21053 B13R0.154 CCCCCOCC(C)CSC(=O)C 34a_100000210253_200000116872 [0,2,0,0,0,0|1,0,0]=3 21054 B13R0.154 CCCCCOCC(C)CSC(=O)C 7a_100000210253_200000116872 [0,2,0,0,0,0|1,0,0]=3 21055 B13R0.154 CCCCCOCC(O)COC(=O)C 34a_100000210253_200000139349 [0,2,0,0,0,0|1,0,0]=3 21056 B13R0.154 CCCCCOCC(O)COC(=O)C 7a_100000210253_200000139349 [0,2,0,0,0,0|1,0,0]=3 21057 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210326 [0,2,0,0,0,0|1,0,1]=4 21058 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000210326_100000036994 [0,2,0,0,0,0|1,0,1]=4 21059 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_100000210326_200000116872 [0,2,0,0,0,0|1,0,0]=3 21060 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210326 [0,2,0,0,0,0|1,0,0]=3 21061 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_100000210326_200000139349 [0,2,0,0,0,0|1,0,0]=3 21062 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_200000139349_100000210326 [0,2,0,0,0,0|1,0,0]=3 21063 B13R0.154 CCCCOCCC(=O)CCC(=O)N 1458a_100011215257_100000743108 [0,2,0,0,0,0|1,0,1]=4 21064 B13R0.154 CCCCOCCC(=O)CNC(=O)C 1458a_100000194580_100000743108 [0,2,0,0,0,0|1,0,1]=4 21065 B13R0.154 CCCCOCCC(=O)COC(=O)C 1458a_100000183556_100000743108 [0,2,0,0,0,0|1,0,1]=4 21066 B13R0.154 CCCCOCCC(=O)CSC(=O)C 1458a_100000049016_100000743108 [0,2,0,0,0,0|1,0,1]=4 21067 B13R0.154 CCCCOCCN(C)CCC(=O)N 2230a_100000730477_100000743108 [0,2,0,0,0,0|2,0,0]=4 21068 B13R0.154 CCCOCCNC(C)COC(=O)C 270004a_100161115042_100000000629 [0,2,0,0,0,0|2,0,0]=4 21069 B13R0.154 CCCSCCNC(C)COC(=O)C 270004a_100020603323_100000000629 [0,2,0,0,0,0|2,0,0]=4 21070 B13R0.154 CCOCCCNC(C)COC(=O)C 270004a_100000210961_100000000629 [0,2,0,0,0,0|2,0,0]=4 21071 B13R0.154 CCOCCNCC(C)CSC(=O)C 2230a_102516460346_200000116872 [0,2,0,0,0,0|2,0,0]=4 21072 B13R0.154 CCOCCNCC(C)CSC(=O)C 34a_102516460346_200000116872 [0,2,0,0,0,0|2,0,0]=4 21073 B13R0.154 CCOCCNCC(O)COC(=O)C 34a_102516460346_200000139349 [0,2,0,0,0,0|2,0,0]=4 21074 B13R0.154 CCOCCOCC(C)CSC(=O)C 34a_100000210136_200000116872 [0,2,0,0,0,0|2,0,0]=4 21075 B13R0.154 CCOCCOCC(C)CSC(=O)C 7a_100000210136_200000116872 [0,2,0,0,0,0|2,0,0]=4 21076 B13R0.154 CCOCCOCC(O)COC(=O)C 34a_100000210136_200000139349 [0,2,0,0,0,0|2,0,0]=4 21077 B13R0.154 CCOCCOCC(O)COC(=O)C 7a_100000210136_200000139349 [0,2,0,0,0,0|2,0,0]=4 21078 B13R0.154 CCOCCSCC(C)CSC(=O)C 62a_100000210147_200000116872 [0,2,0,0,0,0|2,0,0]=4 21079 B13R0.154 CCOCCSCC(C)CSC(=O)C 62a_200000116872_100011215890 [0,2,0,0,0,0|2,0,0]=4 21080 B13R0.154 CCOCCSCC(O)COC(=O)C 62a_100000210147_200000139349 [0,2,0,0,0,0|2,0,0]=4 21081 B13R0.154 CCOCCSCC(O)COC(=O)C 62a_200000139349_100011215890 [0,2,0,0,0,0|2,0,0]=4 21082 B13R0.154 CCSCCNCC(C)CSC(=O)C 2230a_100000106463_200000116872 [0,2,0,0,0,0|2,0,0]=4 21083 B13R0.154 CCSCCOCC(C)CSC(=O)C 34a_100000212035_200000116872 [0,2,0,0,0,0|2,0,0]=4 21084 B13R0.154 CCSCCOCC(C)CSC(=O)C 7a_100000212035_200000116872 [0,2,0,0,0,0|2,0,0]=4 21085 B13R0.154 CCSCCOCC(O)COC(=O)C 34a_100000212035_200000139349 [0,2,0,0,0,0|2,0,0]=4 21086 B13R0.154 CCSCCOCC(O)COC(=O)C 7a_100000212035_200000139349 [0,2,0,0,0,0|2,0,0]=4 21087 B13R0.154 CCSCCSCC(C)CSC(=O)C 62a_100000757381_200000116872 [0,2,0,0,0,0|2,0,0]=4 21088 B13R0.154 CCSCCSCC(C)CSC(=O)C 62a_200000116872_100000757381 [0,2,0,0,0,0|2,0,0]=4 21089 B13R0.154 CCSCCSCC(O)COC(=O)C 62a_100000757381_200000139349 [0,2,0,0,0,0|2,0,0]=4 21090 B13R0.154 CCSCCSCC(O)COC(=O)C 62a_200000139349_100000757381 [0,2,0,0,0,0|2,0,0]=4 21091 B13R0.154 CN(CCCCCCF)CCC(=O)N 2230a_100000730477_100015922095 [0,2,0,0,0,0|2,0,0]=4 21092 B13R0.154 CN(CCCCCCO)CCC(=O)N 2230a_100000730477_100000766143 [0,2,0,0,0,0|2,0,0]=4 21093 B13R0.154 CNCCCOCC(C)CSC(=O)C 34a_100000213112_200000116872 [0,2,0,0,0,0|2,0,0]=4 21094 B13R0.154 CNCCCOCC(O)COC(=O)C 34a_100000213112_200000139349 [0,2,0,0,0,0|2,0,0]=4 21095 B13R0.154 COCCCNCC(C)CSC(=O)C 34a_100150723488_200000116872 [0,2,0,0,0,0|2,0,0]=4 21096 B13R0.154 COCCCNCC(O)COC(=O)C 34a_100150723488_200000139349 [0,2,0,0,0,0|2,0,0]=4 21097 B13R0.154 COCCCOCC(C)CSC(=O)C 34a_100000740835_200000116872 [0,2,0,0,0,0|2,0,0]=4 21098 B13R0.154 COCCCOCC(O)COC(=O)C 34a_100000740835_200000139349 [0,2,0,0,0,0|2,0,0]=4 21099 B13R0.154 COCCCSCC(C)CSC(=O)C 62a_100000709357_200000116872 [0,2,0,0,0,0|2,0,0]=4 21100 B13R0.154 COCCCSCC(C)CSC(=O)C 62a_200000116872_100000709357 [0,2,0,0,0,0|2,0,0]=4 21101 B13R0.154 COCCCSCC(O)COC(=O)C 62a_100000709357_200000139349 [0,2,0,0,0,0|2,0,0]=4 21102 B13R0.154 COCCCSCC(O)COC(=O)C 62a_200000139349_100000709357 [0,2,0,0,0,0|2,0,0]=4 21103 B13R0.154 CSCCCNCC(C)CSC(=O)C 2230a_100000749238_200000116872 [0,2,0,0,0,0|2,0,0]=4 21104 B13R0.154 CSCCCOCC(C)CSC(=O)C 34a_100000690336_200000116872 [0,2,0,0,0,0|2,0,0]=4 21105 B13R0.154 CSCCCOCC(C)CSC(=O)C 7a_100000690336_200000116872 [0,2,0,0,0,0|2,0,0]=4 21106 B13R0.154 CSCCCOCC(O)COC(=O)C 34a_100000690336_200000139349 [0,2,0,0,0,0|2,0,0]=4 21107 B13R0.154 CSCCCOCC(O)COC(=O)C 7a_100000690336_200000139349 [0,2,0,0,0,0|2,0,0]=4 21108 B13R0.154 NC(=O)CCC(=O)CCCCCCF 1458a_100011215257_100015922095 [0,2,0,0,0,0|1,0,1]=4 21109 B13R0.154 NC(=O)CCC(=O)CCCCCCO 1458a_100011215257_100000766143 [0,2,0,0,0,0|1,0,1]=4 21110 B13R0.179 C=C(Br)CCOCCCCCC(C)C 34a_100009813270_100000210682 [0,2,0,0,0,0|1,0,1]=4 21111 B13R0.179 C=C(C)CCNCCCCCC(C)C 2230a_100011290863_100000730704 [0,2,0,0,0,0|1,0,0]=3 21112 B13R0.179 C=C(C)CCNCCCCCC(C)C 34a_100011290863_100000730704 [0,2,0,0,0,0|1,0,0]=3 21113 B13R0.179 C=C(C)CCNCCCCNC(=O)C 2230a_200011368371_100000730704 [0,2,0,0,0,0|1,0,1]=4 21114 B13R0.179 C=C(C)CCNCCCCNC(=O)C 34a_200011368371_100000730704 [0,2,0,0,0,0|1,0,1]=4 21115 B13R0.179 C=C(C)CCNCCCOCC(C)C 2230a_100000205972_100000730704 [0,2,0,0,0,0|2,0,0]=4 21116 B13R0.179 C=C(C)CCNCCCOCC(C)C 34a_100000205972_100000730704 [0,2,0,0,0,0|2,0,0]=4 21117 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,2,0,0,0,0|1,0,1]=4 21118 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,2,0,0,0,0|1,0,1]=4 21119 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,2,0,0,0,0|1,0,1]=4 21120 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,2,0,0,0,0|1,0,1]=4 21121 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100000764851_100000210682 [0,2,0,0,0,0|1,0,0]=3 21122 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100011995859_100000730704 [0,2,0,0,0,0|1,0,0]=3 21123 B13R0.179 C=C(C)CCOCCCCCC(C)C 7a_100011995859_100000730704 [0,2,0,0,0,0|1,0,0]=3 21124 B13R0.179 C=C(C)CCOCCCCNC(C)C 34a_100011521146_100000730704 [0,2,0,0,0,0|2,0,0]=4 21125 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000073216_100000730704 [0,2,0,0,0,0|1,0,1]=4 21126 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000764851_100000033659 [0,2,0,0,0,0|1,0,1]=4 21127 B13R0.179 C=C(C)CCOCCCCOC(=O)C 7a_100000073216_100000730704 [0,2,0,0,0,0|1,0,1]=4 21128 B13R0.179 C=C(C)CCOCCCCSC(=O)C 34a_100000764851_200010402107 [0,2,0,0,0,0|1,0,1]=4 21129 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,2,0,0,0,0|1,0,1]=4 21130 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,2,0,0,0,0|1,0,1]=4 21131 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000210682_100000730704 [0,2,0,0,0,0|1,0,0]=3 21132 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000730704_100000210682 [0,2,0,0,0,0|1,0,0]=3 21133 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000033659_100000730704 [0,2,0,0,0,0|1,0,1]=4 21134 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000730704_100000033659 [0,2,0,0,0,0|1,0,1]=4 21135 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_100000730704_200010402107 [0,2,0,0,0,0|1,0,1]=4 21136 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_200010402107_100000730704 [0,2,0,0,0,0|1,0,1]=4 21137 B13R0.179 C=C(C)CNCCCCCCC(C)C 2230a_100000211014_100000748629 [0,2,0,0,0,0|1,0,0]=3 21138 B13R0.179 C=C(C)CNCCCCCCC(C)C 34a_100000211014_100000748629 [0,2,0,0,0,0|1,0,0]=3 21139 B13R0.179 C=C(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748629 [0,2,0,0,0,0|1,0,1]=4 21140 B13R0.179 C=C(C)CNCCCCCNC(=O)C 34a_200012022750_100000748629 [0,2,0,0,0,0|1,0,1]=4 21141 B13R0.179 C=C(C)COCCCCCNC(C)C 34a_100011629493_100000748629 [0,2,0,0,0,0|2,0,0]=4 21142 B13R0.179 C=C(C)COCCCCCOC(=O)C 34a_100000210245_100000033007 [0,2,0,0,0,0|1,0,1]=4 21143 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000033007_100000211660 [0,2,0,0,0,0|1,0,1]=4 21144 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000748629_100000033007 [0,2,0,0,0,0|1,0,1]=4 21145 B13R0.179 C=C(F)CNCCCCCCC(C)C 2230a_100000211014_100009893438 [0,2,0,0,0,0|1,0,1]=4 21146 B13R0.179 C=C(F)CNCCCCCCC(C)C 34a_100000211014_100009893438 [0,2,0,0,0,0|1,0,1]=4 21147 B13R0.179 CC(=CCCOCCCCC(C)C)C 34a_100011214890_100011217483 [0,2,0,0,0,0|1,0,1]=4 21148 B13R0.179 CC(=CCCOCCCCC(C)C)C 7a_100011214890_100011217483 [0,2,0,0,0,0|1,0,1]=4 21149 B13R0.179 CC(=CCCSCCCCC(C)C)C 62a_100011216152_100011217483 [0,2,0,0,0,0|1,0,1]=4 21150 B13R0.179 CC(=CCCSCCCCC(C)C)C 62a_100011217483_100011216152 [0,2,0,0,0,0|1,0,1]=4 21151 B13R0.179 CC(=CCNCCCCCC(C)C)C 2230a_100011290863_100000761012 [0,2,0,0,0,0|1,0,1]=4 21152 B13R0.179 CC(=CCNCCCCCC(C)C)C 34a_100000718196_100000210682 [0,2,0,0,0,0|1,0,1]=4 21153 B13R0.179 CC(=CCNCCCCCC(C)C)C 34a_100011290863_100000761012 [0,2,0,0,0,0|1,0,1]=4 21154 B13R0.179 CC(=CCOCCCCCC(C)C)C 34a_100000753907_100000210682 [0,2,0,0,0,0|1,0,1]=4 21155 B13R0.179 CC(=CCOCCCCCC(C)C)C 34a_100011995859_100000761012 [0,2,0,0,0,0|1,0,1]=4 21156 B13R0.179 CC(=CCOCCCCCC(C)C)C 7a_100011995859_100000761012 [0,2,0,0,0,0|1,0,1]=4 21157 B13R0.179 CC(=CCSCCCCCC(C)C)C 62a_100000210682_100000761012 [0,2,0,0,0,0|1,0,1]=4 21158 B13R0.179 CC(=CCSCCCCCC(C)C)C 62a_100000761012_100000210682 [0,2,0,0,0,0|1,0,1]=4 21159 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,2,0,0,0,0|1,0,1]=4 21160 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [0,2,0,0,0,0|0,0,0]=2 21161 B13R0.179 CC(=O)CCCCNCCOC(C)C 34a_100000701111_100009817362 [0,2,0,0,0,0|1,0,0]=3 21162 B13R0.179 CC(=O)CCCCNCCSC(C)C 34a_100000731138_100009817362 [0,2,0,0,0,0|1,0,0]=3 21163 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,2,0,0,0,0|0,0,1]=3 21164 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,2,0,0,0,0|0,0,1]=3 21165 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [0,2,0,0,0,0|0,0,0]=2 21166 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [0,2,0,0,0,0|0,0,0]=2 21167 B13R0.179 CC(=O)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100009817362 [0,2,0,0,0,0|2,0,0]=4 21168 B13R0.179 CC(=O)CCCCOCCNC(=O)C 34a_100000158858_100009817362 [0,2,0,0,0,0|1,0,1]=4 21169 B13R0.179 CC(=O)CCCCOCCNC(C)C 34a_100000224655_100009817362 [0,2,0,0,0,0|1,0,0]=3 21170 B13R0.179 CC(=O)CCCCOCCOC(C)C 34a_100000211219_100009817362 [0,2,0,0,0,0|1,0,0]=3 21171 B13R0.179 CC(=O)CCCCOCCOC(C)C 7a_100000211219_100000735457 [0,2,0,0,0,0|1,0,0]=3 21172 B13R0.179 CC(=O)CCCCOCCSC(C)C 34a_200011212901_100009817362 [0,2,0,0,0,0|1,0,0]=3 21173 B13R0.179 CC(=O)CCCCOCCSC(C)C 7a_200011212901_100000735457 [0,2,0,0,0,0|1,0,0]=3 21174 B13R0.179 CC(=O)CCCCSCCC=C(C)C 62a_100000735457_100011217483 [0,2,0,0,0,0|0,0,2]=4 21175 B13R0.179 CC(=O)CCCCSCCC=C(C)C 62a_100011217483_100000735457 [0,2,0,0,0,0|0,0,2]=4 21176 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,2,0,0,0,0|0,0,1]=3 21177 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,2,0,0,0,0|0,0,1]=3 21178 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,2,0,0,0,0|1,0,1]=4 21179 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,2,0,0,0,0|1,0,1]=4 21180 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [0,2,0,0,0,0|0,0,0]=2 21181 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [0,2,0,0,0,0|0,0,0]=2 21182 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,2,0,0,0,0|0,0,0]=2 21183 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,2,0,0,0,0|0,0,0]=2 21184 B13R0.179 CC(=O)CCCCSCCCN(C)C 62a_100000735457_100000757444 [0,2,0,0,0,0|1,0,0]=3 21185 B13R0.179 CC(=O)CCCCSCCNC(=O)C 62a_100000189650_100000735457 [0,2,0,0,0,0|1,0,1]=4 21186 B13R0.179 CC(=O)CCCCSCCNC(=O)C 62a_100000735457_100000189650 [0,2,0,0,0,0|1,0,1]=4 21187 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100000735457_100009814007 [0,2,0,0,0,0|1,0,1]=4 21188 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000735457 [0,2,0,0,0,0|1,0,1]=4 21189 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000211751_100000735457 [0,2,0,0,0,0|1,0,0]=3 21190 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000735457_100000211751 [0,2,0,0,0,0|1,0,0]=3 21191 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000730970_100000735457 [0,2,0,0,0,0|1,0,0]=3 21192 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000735457_100000730970 [0,2,0,0,0,0|1,0,0]=3 21193 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,2,0,0,0,0|1,0,1]=4 21194 B13R0.179 CC(=O)CCCNCCCNC(=O)C 34a_100000736810_100000685027 [0,2,0,0,0,0|1,0,1]=4 21195 B13R0.179 CC(=O)CCCNCCCOC(C)C 34a_100000737246_100000685027 [0,2,0,0,0,0|1,0,0]=3 21196 B13R0.179 CC(=O)CCCOCCCCB(O)O 34a_100000759063_200009817182 [0,2,0,0,0,0|2,0,0]=4 21197 B13R0.179 CC(=O)CCCOCCCCB(O)O 7a_100000759063_200009817182 [0,2,0,0,0,0|2,0,0]=4 21198 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,2,0,0,0,0|1,0,1]=4 21199 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,2,0,0,0,0|1,0,1]=4 21200 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [0,2,0,0,0,0|0,0,0]=2 21201 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [0,2,0,0,0,0|0,0,0]=2 21202 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [0,2,0,0,0,0|0,0,0]=2 21203 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [0,2,0,0,0,0|0,0,0]=2 21204 B13R0.179 CC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000685027 [0,2,0,0,0,0|2,0,0]=4 21205 B13R0.179 CC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215641 [0,2,0,0,0,0|2,0,0]=4 21206 B13R0.179 CC(=O)CCCOCCCNC(=O)C 34a_100000752032_100000685027 [0,2,0,0,0,0|1,0,1]=4 21207 B13R0.179 CC(=O)CCCOCCCNC(C)C 34a_100000182298_100000685027 [0,2,0,0,0,0|1,0,0]=3 21208 B13R0.179 CC(=O)CCCOCCCOC(=O)C 34a_100000759063_100000042594 [0,2,0,0,0,0|1,0,1]=4 21209 B13R0.179 CC(=O)CCCOCCCOC(=O)C 7a_100000759063_100000042594 [0,2,0,0,0,0|1,0,1]=4 21210 B13R0.179 CC(=O)CCCOCCCOC(=S)C 34a_100000759063_200135323944 [0,2,0,0,0,0|1,0,1]=4 21211 B13R0.179 CC(=O)CCCOCCCOC(=S)C 7a_100000759063_200135323944 [0,2,0,0,0,0|1,0,1]=4 21212 B13R0.179 CC(=O)CCCOCCCSC(=O)C 34a_100000759063_100000038929 [0,2,0,0,0,0|1,0,1]=4 21213 B13R0.179 CC(=O)CCCOCCCSC(=O)C 7a_100000759063_100000038929 [0,2,0,0,0,0|1,0,1]=4 21214 B13R0.179 CC(=O)CCCOCCNCC(C)C 34a_100015185251_100000685027 [0,2,0,0,0,0|1,0,0]=3 21215 B13R0.179 CC(=O)CCCOCCOCC(C)C 34a_100000703358_100000685027 [0,2,0,0,0,0|1,0,0]=3 21216 B13R0.179 CC(=O)CCCOCCOCC(C)C 7a_100000703358_100011215641 [0,2,0,0,0,0|1,0,0]=3 21217 B13R0.179 CC(=O)CCCOCCOCC(F)F 34a_100000704375_100000685027 [0,2,0,0,0,0|2,0,0]=4 21218 B13R0.179 CC(=O)CCCOCCOCC(F)F 34a_100000759063_200012177212 [0,2,0,0,0,0|2,0,0]=4 21219 B13R0.179 CC(=O)CCCOCCOCC(F)F 7a_100000704375_100011215641 [0,2,0,0,0,0|2,0,0]=4 21220 B13R0.179 CC(=O)CCCOCCOCC(F)F 7a_100000759063_200012177212 [0,2,0,0,0,0|2,0,0]=4 21221 B13R0.179 CC(=O)CCCOCCSCC(C)C 34a_200000230437_100000685027 [0,2,0,0,0,0|1,0,0]=3 21222 B13R0.179 CC(=O)CCCOCCSCC(C)C 7a_200000230437_100011215641 [0,2,0,0,0,0|1,0,0]=3 21223 B13R0.179 CC(=O)CCCSCCCCB(O)O 62a_100011215641_200009817182 [0,2,0,0,0,0|2,0,0]=4 21224 B13R0.179 CC(=O)CCCSCCCCB(O)O 62a_200009817182_100011215641 [0,2,0,0,0,0|2,0,0]=4 21225 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [0,2,0,0,0,0|0,0,0]=2 21226 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [0,2,0,0,0,0|0,0,0]=2 21227 B13R0.179 CC(=O)CCCSCCCCN(C)C 62a_100011215641_100000690147 [0,2,0,0,0,0|1,0,0]=3 21228 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011215641 [0,2,0,0,0,0|1,0,1]=4 21229 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100011215641_100000042594 [0,2,0,0,0,0|1,0,1]=4 21230 B13R0.179 CC(=O)CCCSCCCOC(=S)C 62a_100011215641_200135323944 [0,2,0,0,0,0|1,0,1]=4 21231 B13R0.179 CC(=O)CCCSCCCOC(=S)C 62a_200135323944_100011215641 [0,2,0,0,0,0|1,0,1]=4 21232 B13R0.179 CC(=O)CCCSCCCSC(=O)C 62a_100000038929_100011215641 [0,2,0,0,0,0|1,0,1]=4 21233 B13R0.179 CC(=O)CCCSCCCSC(=O)C 62a_100011215641_100000038929 [0,2,0,0,0,0|1,0,1]=4 21234 B13R0.179 CC(=O)CCCSCCOCC(F)F 62a_100011215641_200012177212 [0,2,0,0,0,0|2,0,0]=4 21235 B13R0.179 CC(=O)CCCSCCOCC(F)F 62a_200012177212_100011215641 [0,2,0,0,0,0|2,0,0]=4 21236 B13R0.179 CC(=O)CCOCCCCCB(O)O 34a_100000759926_200009817188 [0,2,0,0,0,0|2,0,0]=4 21237 B13R0.179 CC(=O)CCOCCCCCB(O)O 7a_100000759926_200009817188 [0,2,0,0,0,0|2,0,0]=4 21238 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 21239 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,2,0,0,0,0|1,0,1]=4 21240 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 21241 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,2,0,0,0,0|1,0,1]=4 21242 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [0,2,0,0,0,0|0,0,0]=2 21243 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [0,2,0,0,0,0|0,0,0]=2 21244 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [0,2,0,0,0,0|0,0,0]=2 21245 B13R0.179 CC(=O)CCOCCCCOC(=O)C 34a_100000759926_100000033659 [0,2,0,0,0,0|1,0,1]=4 21246 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000053229 [0,2,0,0,0,0|1,0,1]=4 21247 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000759926_100000033659 [0,2,0,0,0,0|1,0,1]=4 21248 B13R0.179 CC(=O)CCOCCCCSC(=O)C 34a_100000759926_200010402107 [0,2,0,0,0,0|1,0,1]=4 21249 B13R0.179 CC(=O)CCOCCCCSC(=O)C 7a_100000759926_200010402107 [0,2,0,0,0,0|1,0,1]=4 21250 B13R0.179 CC(=O)CCSCCCCCB(O)O 62a_100000053229_200009817188 [0,2,0,0,0,0|2,0,0]=4 21251 B13R0.179 CC(=O)CCSCCCCCB(O)O 62a_200009817188_100000053229 [0,2,0,0,0,0|2,0,0]=4 21252 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,2,0,0,0,0|1,0,1]=4 21253 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,2,0,0,0,0|1,0,1]=4 21254 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [0,2,0,0,0,0|0,0,0]=2 21255 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [0,2,0,0,0,0|0,0,0]=2 21256 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000053229 [0,2,0,0,0,0|1,0,1]=4 21257 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000053229_100000033659 [0,2,0,0,0,0|1,0,1]=4 21258 B13R0.179 CC(=O)CCSCCCCSC(=O)C 62a_100000053229_200010402107 [0,2,0,0,0,0|1,0,1]=4 21259 B13R0.179 CC(=O)CCSCCCCSC(=O)C 62a_200010402107_100000053229 [0,2,0,0,0,0|1,0,1]=4 21260 B13R0.179 CC(=O)COCCCCCCB(O)O 34a_100000211253_100009817187 [0,2,0,0,0,0|2,0,0]=4 21261 B13R0.179 CC(=O)COCCCCCOC(=O)C 34a_100000211253_100000033007 [0,2,0,0,0,0|1,0,1]=4 21262 B13R0.179 CC(=O)NCCCCCCNC(=O)C 11a_200011996284_100015343762 [0,2,0,0,0,0|1,0,1]=4 21263 B13R0.179 CC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100015343762 [0,2,0,0,0,0|1,0,1]=4 21264 B13R0.179 CC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100015343762 [0,2,0,0,0,0|1,0,1]=4 21265 B13R0.179 CC(=O)NCCCCCCNC(=O)C 527a_200011996284_100103153847 [0,2,0,0,0,0|1,0,1]=4 21266 B13R0.179 CC(=O)NCCCCCCNC(C)C 2230a_200011996284_100000210206 [0,2,0,0,0,0|1,0,0]=3 21267 B13R0.179 CC(=O)NCCCCCCNC(C)C 34a_200011996284_100000210206 [0,2,0,0,0,0|1,0,0]=3 21268 B13R0.179 CC(=O)NCCCCCCSC(=O)C 11a_100000704104_100015343762 [0,2,0,0,0,0|1,0,1]=4 21269 B13R0.179 CC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100015343762 [0,2,0,0,0,0|1,0,1]=4 21270 B13R0.179 CC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100015343762 [0,2,0,0,0,0|1,0,1]=4 21271 B13R0.179 CC(=O)NCCCCCCSC(=O)C 527a_100000704104_100103153847 [0,2,0,0,0,0|1,0,1]=4 21272 B13R0.179 CC(=O)NCCCCCNCC(C)C 2230a_200012022750_100000210760 [0,2,0,0,0,0|1,0,0]=3 21273 B13R0.179 CC(=O)NCCCCCNCC(C)C 270004a_200012022750_100000210432 [0,2,0,0,0,0|1,0,0]=3 21274 B13R0.179 CC(=O)NCCCCCNCC(C)C 34a_200012022750_100000210624 [0,2,0,0,0,0|1,0,0]=3 21275 B13R0.179 CC(=O)NCCCCCNCC(C)O 2230a_200012022750_100011218427 [0,2,0,0,0,0|1,0,0]=3 21276 B13R0.179 CC(=O)NCCCCCNCC(C)O 34a_200012022750_100011218427 [0,2,0,0,0,0|1,0,0]=3 21277 B13R0.179 CC(=O)NCCCCCNCC(F)F 2230a_200012022750_100011934356 [0,2,0,0,0,0|2,0,0]=4 21278 B13R0.179 CC(=O)NCCCCCNCC(F)F 34a_200012022750_100011934356 [0,2,0,0,0,0|2,0,0]=4 21279 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 2230a_200012022750_100009817552 [0,2,0,0,0,0|1,0,0]=3 21280 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 34a_200012022750_100009817552 [0,2,0,0,0,0|1,0,0]=3 21281 B13R0.179 CC(=O)NCCCCNCCC(C)C 2230a_200011368371_100000210312 [0,2,0,0,0,0|1,0,0]=3 21282 B13R0.179 CC(=O)NCCCCNCCC(C)C 269862a_200011368371_100000185833 [0,2,0,0,0,0|1,0,0]=3 21283 B13R0.179 CC(=O)NCCCCNCCC(C)C 34a_200011368371_100000210312 [0,2,0,0,0,0|1,0,0]=3 21284 B13R0.179 CC(=O)NCCCCNCCC(C)O 2230a_200011368371_100012276601 [0,2,0,0,0,0|1,0,0]=3 21285 B13R0.179 CC(=O)NCCCCNCCC(C)O 34a_200011368371_100012276601 [0,2,0,0,0,0|1,0,0]=3 21286 B13R0.179 CC(=O)NCCCCNCOC(C)C 2230a_200011368371_100000709892 [0,2,0,0,0,0|2,0,0]=4 21287 B13R0.179 CC(=O)NCCCCNCOC(C)C 34a_200011368371_100000709892 [0,2,0,0,0,0|2,0,0]=4 21288 B13R0.179 CC(=O)NCCCNCCCC(C)C 34a_100000736810_100011214892 [0,2,0,0,0,0|1,0,0]=3 21289 B13R0.179 CC(=O)NCCCNCCCC(C)O 34a_100000736810_200000718107 [0,2,0,0,0,0|1,0,0]=3 21290 B13R0.179 CC(=O)NCCCNCCOC(C)C 34a_100000736810_100000211751 [0,2,0,0,0,0|2,0,0]=4 21291 B13R0.179 CC(=O)NCCCNCCSC(C)C 34a_100000736810_100000730970 [0,2,0,0,0,0|2,0,0]=4 21292 B13R0.179 CC(=O)NCCCOCCCC(C)C 34a_100000752032_100011214892 [0,2,0,0,0,0|1,0,0]=3 21293 B13R0.179 CC(=O)NCCCOCCCC(C)O 34a_100000752032_200000718107 [0,2,0,0,0,0|1,0,0]=3 21294 B13R0.179 CC(=O)NCCCOCCOC(C)C 34a_100000752032_100000211751 [0,2,0,0,0,0|2,0,0]=4 21295 B13R0.179 CC(=O)NCCCOCCSC(C)C 34a_100000752032_100000730970 [0,2,0,0,0,0|2,0,0]=4 21296 B13R0.179 CC(=O)NCCNCCCCC(C)C 2230a_100000209853_100011216152 [0,2,0,0,0,0|1,0,0]=3 21297 B13R0.179 CC(=O)NCCNCCCOC(C)C 2230a_100000737246_100000189650 [0,2,0,0,0,0|2,0,0]=4 21298 B13R0.179 CC(=O)NCCOCCCCC(C)C 34a_100000158858_100011216152 [0,2,0,0,0,0|1,0,0]=3 21299 B13R0.179 CC(=O)NCCOCCCCC(C)C 7a_100011214890_100000189650 [0,2,0,0,0,0|1,0,0]=3 21300 B13R0.179 CC(=O)NCCOCCOCC(C)C 7a_100000703358_100000189650 [0,2,0,0,0,0|2,0,0]=4 21301 B13R0.179 CC(=O)NCCOCCSCC(C)C 7a_200000230437_100000189650 [0,2,0,0,0,0|2,0,0]=4 21302 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100000189650_100011216152 [0,2,0,0,0,0|1,0,0]=3 21303 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100011216152_100000189650 [0,2,0,0,0,0|1,0,0]=3 21304 B13R0.179 CC(=O)NCCSCCCCN(C)C 62a_100000189650_100000690147 [0,2,0,0,0,0|2,0,0]=4 21305 B13R0.179 CC(=O)OCCCCCNCC(C)C 2230a_100000210953_100009813381 [0,2,0,0,0,0|1,0,0]=3 21306 B13R0.179 CC(=O)OCCCCCNCC(C)C 34a_100000210953_100000033007 [0,2,0,0,0,0|1,0,0]=3 21307 B13R0.179 CC(=O)OCCCCCNCC(C)O 2230a_100000210904_100009813381 [0,2,0,0,0,0|1,0,0]=3 21308 B13R0.179 CC(=O)OCCCCCNCC(C)O 34a_100000210904_100000033007 [0,2,0,0,0,0|1,0,0]=3 21309 B13R0.179 CC(=O)OCCCCCNCC(F)F 34a_100000765723_100000033007 [0,2,0,0,0,0|2,0,0]=4 21310 B13R0.179 CC(=O)OCCCCCOCC(C)Br 34a_100012180447_100000033007 [0,2,0,0,0,0|1,0,0]=3 21311 B13R0.179 CC(=O)OCCCCCOCC(C)C 34a_100000210257_100000033007 [0,2,0,0,0,0|1,0,0]=3 21312 B13R0.179 CC(=O)OCCCCCOCC(C)F 34a_100015925927_100000033007 [0,2,0,0,0,0|1,0,0]=3 21313 B13R0.179 CC(=O)OCCCCCOCC(F)F 34a_100000743014_100000033007 [0,2,0,0,0,0|2,0,0]=4 21314 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)Cl 34a_100016084084_100000033007 [0,2,0,0,0,0|1,0,0]=3 21315 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)N 34a_100000737577_100000033007 [0,2,0,0,0,0|1,0,0]=3 21316 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000033007_100000210760 [0,2,0,0,0,0|1,0,0]=3 21317 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000210624_100000033007 [0,2,0,0,0,0|1,0,0]=3 21318 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100000033007_100011218427 [0,2,0,0,0,0|1,0,0]=3 21319 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100011218427_100000033007 [0,2,0,0,0,0|1,0,0]=3 21320 B13R0.179 CC(=O)OCCCCCSCC(F)F 62a_100000033007_100011934356 [0,2,0,0,0,0|2,0,0]=4 21321 B13R0.179 CC(=O)OCCCCCSCC(F)F 62a_100011934356_100000033007 [0,2,0,0,0,0|2,0,0]=4 21322 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100000033007_100009817552 [0,2,0,0,0,0|1,0,0]=3 21323 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100009817552_100000033007 [0,2,0,0,0,0|1,0,0]=3 21324 B13R0.179 CC(=O)OCCCCOCCC(C)Br 34a_100009893172_100000033659 [0,2,0,0,0,0|1,0,0]=3 21325 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000073216_100000210312 [0,2,0,0,0,0|1,0,0]=3 21326 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000210254_100000033659 [0,2,0,0,0,0|1,0,0]=3 21327 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000073216_100000210626 [0,2,0,0,0,0|1,0,0]=3 21328 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000210254_100000033659 [0,2,0,0,0,0|1,0,0]=3 21329 B13R0.179 CC(=O)OCCCCOCCC(C)O 34a_100000073216_100012276601 [0,2,0,0,0,0|1,0,0]=3 21330 B13R0.179 CC(=O)OCCCCOCCC(C)O 7a_100000073216_100012276601 [0,2,0,0,0,0|1,0,0]=3 21331 B13R0.179 CC(=O)OCCCCOCCC(F)F 34a_100103093639_100000033659 [0,2,0,0,0,0|2,0,0]=4 21332 B13R0.179 CC(=O)OCCCCOCCN(C)C 7a_100000073216_100000755713 [0,2,0,0,0,0|2,0,0]=4 21333 B13R0.179 CC(=O)OCCCCOCC[C@@H](C)N 34a_100000706166_100000033659 [0,2,0,0,0,0|1,0,0]=3 21334 B13R0.179 CC(=O)OCCCCOCOC(C)C 34a_100000073216_100000709892 [0,2,0,0,0,0|2,0,0]=4 21335 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000033659_100000210312 [0,2,0,0,0,0|1,0,0]=3 21336 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000210312_100000033659 [0,2,0,0,0,0|1,0,0]=3 21337 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100000033659_100012276601 [0,2,0,0,0,0|1,0,0]=3 21338 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100012276601_100000033659 [0,2,0,0,0,0|1,0,0]=3 21339 B13R0.179 CC(=O)OCCCCSCCN(C)C 62a_100000033659_100000755713 [0,2,0,0,0,0|2,0,0]=4 21340 B13R0.179 CC(=O)OCCCCSCOC(C)C 62a_100000033659_100000709892 [0,2,0,0,0,0|2,0,0]=4 21341 B13R0.179 CC(=O)OCCCCSCOC(C)C 62a_100000709892_100000033659 [0,2,0,0,0,0|2,0,0]=4 21342 B13R0.179 CC(=O)OCCCNCCCC(C)C 34a_200000737386_100000042594 [0,2,0,0,0,0|1,0,0]=3 21343 B13R0.179 CC(=O)OCCCNCCOC(C)C 34a_100000701111_100000042594 [0,2,0,0,0,0|2,0,0]=4 21344 B13R0.179 CC(=O)OCCCNCCSC(C)C 34a_100000731138_100000042594 [0,2,0,0,0,0|2,0,0]=4 21345 B13R0.179 CC(=O)OCCCOCCCC(C)C 34a_100000210774_100000042594 [0,2,0,0,0,0|1,0,0]=3 21346 B13R0.179 CC(=O)OCCCOCCCC(C)C 7a_100000210774_100000042594 [0,2,0,0,0,0|1,0,0]=3 21347 B13R0.179 CC(=O)OCCCOCCNC(C)C 34a_100000224655_100000042594 [0,2,0,0,0,0|2,0,0]=4 21348 B13R0.179 CC(=O)OCCCOCCOC(C)C 34a_100000211219_100000042594 [0,2,0,0,0,0|2,0,0]=4 21349 B13R0.179 CC(=O)OCCCOCCOC(C)C 7a_100000211219_100000042594 [0,2,0,0,0,0|2,0,0]=4 21350 B13R0.179 CC(=O)OCCCOCCSC(C)C 34a_200011212901_100000042594 [0,2,0,0,0,0|2,0,0]=4 21351 B13R0.179 CC(=O)OCCCOCCSC(C)C 7a_200011212901_100000042594 [0,2,0,0,0,0|2,0,0]=4 21352 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100000042594_100011214892 [0,2,0,0,0,0|1,0,0]=3 21353 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100011214892_100000042594 [0,2,0,0,0,0|1,0,0]=3 21354 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_100000042594_200000718107 [0,2,0,0,0,0|1,0,0]=3 21355 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_200000718107_100000042594 [0,2,0,0,0,0|1,0,0]=3 21356 B13R0.179 CC(=O)OCCCSCCCN(C)C 62a_100000042594_100000757444 [0,2,0,0,0,0|2,0,0]=4 21357 B13R0.179 CC(=O)OCCCSCCOC(C)C 62a_100000042594_100000211751 [0,2,0,0,0,0|2,0,0]=4 21358 B13R0.179 CC(=O)OCCCSCCOC(C)C 62a_100000211751_100000042594 [0,2,0,0,0,0|2,0,0]=4 21359 B13R0.179 CC(=O)OCCCSCCSC(C)C 62a_100000042594_100000730970 [0,2,0,0,0,0|2,0,0]=4 21360 B13R0.179 CC(=O)OCCCSCCSC(C)C 62a_100000730970_100000042594 [0,2,0,0,0,0|2,0,0]=4 21361 B13R0.179 CC(=O)OCCNCCCOC(C)C 34a_100000737246_100009814007 [0,2,0,0,0,0|2,0,0]=4 21362 B13R0.179 CC(=O)OCCOCCCCC(C)C 34a_100011214890_100009814007 [0,2,0,0,0,0|1,0,0]=3 21363 B13R0.179 CC(=O)OCCOCCCCC(C)C 7a_100011214890_100009814007 [0,2,0,0,0,0|1,0,0]=3 21364 B13R0.179 CC(=O)OCCOCCCNC(C)C 34a_100000182298_100009814007 [0,2,0,0,0,0|2,0,0]=4 21365 B13R0.179 CC(=O)OCCOCCNCC(C)C 2230a_100000210953_200000083610 [0,2,0,0,0,0|2,0,0]=4 21366 B13R0.179 CC(=O)OCCOCCNCC(C)C 34a_100000210953_200000083610 [0,2,0,0,0,0|2,0,0]=4 21367 B13R0.179 CC(=O)OCCOCCNCC(C)C 34a_100015185251_100009814007 [0,2,0,0,0,0|2,0,0]=4 21368 B13R0.179 CC(=O)OCCOCCNCC(C)O 2230a_100000210904_200000083610 [0,2,0,0,0,0|2,0,0]=4 21369 B13R0.179 CC(=O)OCCOCCNCC(C)O 34a_100000210904_200000083610 [0,2,0,0,0,0|2,0,0]=4 21370 B13R0.179 CC(=O)OCCOCCOCC(C)Br 34a_100012180447_200000083610 [0,2,0,0,0,0|2,0,0]=4 21371 B13R0.179 CC(=O)OCCOCCOCC(C)C 34a_100000210257_200000083610 [0,2,0,0,0,0|2,0,0]=4 21372 B13R0.179 CC(=O)OCCOCCOCC(C)C 34a_100000703358_100009814007 [0,2,0,0,0,0|2,0,0]=4 21373 B13R0.179 CC(=O)OCCOCCOCC(C)C 7a_100000703358_100009814007 [0,2,0,0,0,0|2,0,0]=4 21374 B13R0.179 CC(=O)OCCOCCOCC(C)F 34a_100015925927_200000083610 [0,2,0,0,0,0|2,0,0]=4 21375 B13R0.179 CC(=O)OCCOCCOC[C@@H](C)Cl 34a_100016084084_200000083610 [0,2,0,0,0,0|2,0,0]=4 21376 B13R0.179 CC(=O)OCCOCCOC[C@@H](C)N 34a_100000737577_200000083610 [0,2,0,0,0,0|2,0,0]=4 21377 B13R0.179 CC(=O)OCCOCCSCC(C)C 34a_200000230437_100009814007 [0,2,0,0,0,0|2,0,0]=4 21378 B13R0.179 CC(=O)OCCOCCSCC(C)C 62a_100000210624_200000083610 [0,2,0,0,0,0|2,0,0]=4 21379 B13R0.179 CC(=O)OCCOCCSCC(C)C 62a_200000083610_100000210760 [0,2,0,0,0,0|2,0,0]=4 21380 B13R0.179 CC(=O)OCCOCCSCC(C)C 7a_200000230437_100009814007 [0,2,0,0,0,0|2,0,0]=4 21381 B13R0.179 CC(=O)OCCOCCSCC(C)O 62a_100011218427_200000083610 [0,2,0,0,0,0|2,0,0]=4 21382 B13R0.179 CC(=O)OCCOCCSCC(C)O 62a_200000083610_100011218427 [0,2,0,0,0,0|2,0,0]=4 21383 B13R0.179 CC(=O)OCCOCCSC[C@@H](C)O 62a_100009817552_200000083610 [0,2,0,0,0,0|2,0,0]=4 21384 B13R0.179 CC(=O)OCCOCCSC[C@@H](C)O 62a_200000083610_100009817552 [0,2,0,0,0,0|2,0,0]=4 21385 B13R0.179 CC(=O)OCCOCOCCC(C)Br 34a_100009893172_100000076355 [0,2,0,0,0,0|2,0,0]=4 21386 B13R0.179 CC(=O)OCCOCOCCC(C)C 34a_100000210254_100000076355 [0,2,0,0,0,0|2,0,0]=4 21387 B13R0.179 CC(=O)OCCOCOCC[C@@H](C)N 34a_100000706166_100000076355 [0,2,0,0,0,0|2,0,0]=4 21388 B13R0.179 CC(=O)OCCOCSCCC(C)C 62a_100000076355_100000210312 [0,2,0,0,0,0|2,0,0]=4 21389 B13R0.179 CC(=O)OCCOCSCCC(C)C 62a_100000210312_100000076355 [0,2,0,0,0,0|2,0,0]=4 21390 B13R0.179 CC(=O)OCCOCSCCC(C)O 62a_100000076355_100012276601 [0,2,0,0,0,0|2,0,0]=4 21391 B13R0.179 CC(=O)OCCOCSCCC(C)O 62a_100012276601_100000076355 [0,2,0,0,0,0|2,0,0]=4 21392 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100009814007_100011216152 [0,2,0,0,0,0|1,0,0]=3 21393 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100011216152_100009814007 [0,2,0,0,0,0|1,0,0]=3 21394 B13R0.179 CC(=O)OCCSCCCCN(C)C 62a_100009814007_100000690147 [0,2,0,0,0,0|2,0,0]=4 21395 B13R0.179 CC(=O)OCNCCCCCC(C)C 34a_100011290863_100009813279 [0,2,0,0,0,0|1,0,0]=3 21396 B13R0.179 CC(=O)OCNCCCOCC(C)C 34a_100000205972_100009813279 [0,2,0,0,0,0|2,0,0]=4 21397 B13R0.179 CC(=O)OCOCCCCCC(C)C 34a_100011995859_100009813279 [0,2,0,0,0,0|1,0,0]=3 21398 B13R0.179 CC(=O)OCOCCCCNC(C)C 34a_100011521146_100009813279 [0,2,0,0,0,0|2,0,0]=4 21399 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000076356_100000210682 [0,2,0,0,0,0|1,0,0]=3 21400 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000210682_100000076356 [0,2,0,0,0,0|1,0,0]=3 21401 B13R0.179 CC(=O)SCCCCNCCC(C)O 2230a_200000755665_200010402107 [0,2,0,0,0,0|1,0,0]=3 21402 B13R0.179 CC(=O)SCCCCOCCC(C)Br 34a_100009893172_200010402107 [0,2,0,0,0,0|1,0,0]=3 21403 B13R0.179 CC(=O)SCCCCOCCC(C)C 34a_100000210254_200010402107 [0,2,0,0,0,0|1,0,0]=3 21404 B13R0.179 CC(=O)SCCCCOCCC(C)C 7a_100000210254_200010402107 [0,2,0,0,0,0|1,0,0]=3 21405 B13R0.179 CC(=O)SCCCCOCCC(F)F 34a_100103093639_200010402107 [0,2,0,0,0,0|2,0,0]=4 21406 B13R0.179 CC(=O)SCCCCOCC[C@@H](C)N 34a_100000706166_200010402107 [0,2,0,0,0,0|1,0,0]=3 21407 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_100000210312_200010402107 [0,2,0,0,0,0|1,0,0]=3 21408 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_200010402107_100000210312 [0,2,0,0,0,0|1,0,0]=3 21409 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_100012276601_200010402107 [0,2,0,0,0,0|1,0,0]=3 21410 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_200010402107_100012276601 [0,2,0,0,0,0|1,0,0]=3 21411 B13R0.179 CC(=O)SCCCCSCCN(C)C 62a_200010402107_100000755713 [0,2,0,0,0,0|2,0,0]=4 21412 B13R0.179 CC(=O)SCCCCSCOC(C)C 62a_100000709892_200010402107 [0,2,0,0,0,0|2,0,0]=4 21413 B13R0.179 CC(=O)SCCCCSCOC(C)C 62a_200010402107_100000709892 [0,2,0,0,0,0|2,0,0]=4 21414 B13R0.179 CC(=O)SCCCNCCCC(C)C 2230a_200000737386_100000038929 [0,2,0,0,0,0|1,0,0]=3 21415 B13R0.179 CC(=O)SCCCNCCCC(C)C 34a_200000737386_100000038929 [0,2,0,0,0,0|1,0,0]=3 21416 B13R0.179 CC(=O)SCCCNCCCS(=O)C 2230a_200000753449_100000038929 [0,2,0,0,0,0|2,0,0]=4 21417 B13R0.179 CC(=O)SCCCNCCOC(C)C 2230a_100000701111_100000038929 [0,2,0,0,0,0|2,0,0]=4 21418 B13R0.179 CC(=O)SCCCNCCOC(C)C 34a_100000701111_100000038929 [0,2,0,0,0,0|2,0,0]=4 21419 B13R0.179 CC(=O)SCCCNCCSC(C)C 2230a_100000731138_100000038929 [0,2,0,0,0,0|2,0,0]=4 21420 B13R0.179 CC(=O)SCCCNCCSC(C)C 34a_100000731138_100000038929 [0,2,0,0,0,0|2,0,0]=4 21421 B13R0.179 CC(=O)SCCCOCCCC(C)C 34a_100000210774_100000038929 [0,2,0,0,0,0|1,0,0]=3 21422 B13R0.179 CC(=O)SCCCOCCCC(C)C 7a_100000210774_100000038929 [0,2,0,0,0,0|1,0,0]=3 21423 B13R0.179 CC(=O)SCCCOCCNC(C)C 34a_100000224655_100000038929 [0,2,0,0,0,0|2,0,0]=4 21424 B13R0.179 CC(=O)SCCCOCCOC(C)C 34a_100000211219_100000038929 [0,2,0,0,0,0|2,0,0]=4 21425 B13R0.179 CC(=O)SCCCOCCOC(C)C 7a_100000211219_100000038929 [0,2,0,0,0,0|2,0,0]=4 21426 B13R0.179 CC(=O)SCCCOCCSC(C)C 34a_200011212901_100000038929 [0,2,0,0,0,0|2,0,0]=4 21427 B13R0.179 CC(=O)SCCCOCCSC(C)C 7a_200011212901_100000038929 [0,2,0,0,0,0|2,0,0]=4 21428 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100000038929_100011214892 [0,2,0,0,0,0|1,0,0]=3 21429 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100011214892_100000038929 [0,2,0,0,0,0|1,0,0]=3 21430 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_100000038929_200000718107 [0,2,0,0,0,0|1,0,0]=3 21431 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_200000718107_100000038929 [0,2,0,0,0,0|1,0,0]=3 21432 B13R0.179 CC(=O)SCCCSCCCN(C)C 62a_100000038929_100000757444 [0,2,0,0,0,0|2,0,0]=4 21433 B13R0.179 CC(=O)SCCCSCCOC(C)C 62a_100000038929_100000211751 [0,2,0,0,0,0|2,0,0]=4 21434 B13R0.179 CC(=O)SCCCSCCOC(C)C 62a_100000211751_100000038929 [0,2,0,0,0,0|2,0,0]=4 21435 B13R0.179 CC(=O)SCCCSCCSC(C)C 62a_100000038929_100000730970 [0,2,0,0,0,0|2,0,0]=4 21436 B13R0.179 CC(=O)SCCCSCCSC(C)C 62a_100000730970_100000038929 [0,2,0,0,0,0|2,0,0]=4 21437 B13R0.179 CC(=S)OCCCNCCCC(C)C 2230a_200000737386_200135323944 [0,2,0,0,0,0|1,1,0]=4 21438 B13R0.179 CC(=S)OCCCNCCCC(C)C 34a_200000737386_200135323944 [0,2,0,0,0,0|1,1,0]=4 21439 B13R0.179 CC(=S)OCCCOCCCC(C)C 34a_100000210774_200135323944 [0,2,0,0,0,0|1,1,0]=4 21440 B13R0.179 CC(=S)OCCCOCCCC(C)C 7a_100000210774_200135323944 [0,2,0,0,0,0|1,1,0]=4 21441 B13R0.179 CC(=S)OCCCSCCCC(C)C 62a_100011214892_200135323944 [0,2,0,0,0,0|1,1,0]=4 21442 B13R0.179 CC(=S)OCCCSCCCC(C)C 62a_200135323944_100011214892 [0,2,0,0,0,0|1,1,0]=4 21443 B13R0.179 CC(=S)OCCCSCCCC(C)O 62a_200000718107_200135323944 [0,2,0,0,0,0|1,1,0]=4 21444 B13R0.179 CC(=S)OCCCSCCCC(C)O 62a_200135323944_200000718107 [0,2,0,0,0,0|1,1,0]=4 21445 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [0,2,0,0,0,0|1,0,0]=3 21446 B13R0.179 CC(C)CCCCCCCOC(C)C 34a_200000210741_100000210206 [0,2,0,0,0,0|1,0,1]=4 21447 B13R0.179 CC(C)CCCCCCCOC(C)C 7a_200000210741_100000210206 [0,2,0,0,0,0|1,0,1]=4 21448 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [0,2,0,0,0,0|1,0,0]=3 21449 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [0,2,0,0,0,0|1,0,0]=3 21450 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [0,2,0,0,0,0|1,0,0]=3 21451 B13R0.179 CC(C)CCCCCCNCC(C)C 2230a_100000211014_100000210760 [0,2,0,0,0,0|1,0,1]=4 21452 B13R0.179 CC(C)CCCCCCNCC(C)C 270004a_100000211014_100000210432 [0,2,0,0,0,0|1,0,1]=4 21453 B13R0.179 CC(C)CCCCCCNCC(C)C 34a_100000211014_100000210624 [0,2,0,0,0,0|1,0,1]=4 21454 B13R0.179 CC(C)CCCCCCNCC(C)O 2230a_100000211014_100011218427 [0,2,0,0,0,0|0,0,2]=4 21455 B13R0.179 CC(C)CCCCCCNCC(C)O 34a_100000211014_100011218427 [0,2,0,0,0,0|0,0,2]=4 21456 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 2230a_100000211014_100009817552 [0,2,0,0,0,0|0,0,2]=4 21457 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 34a_100000211014_100009817552 [0,2,0,0,0,0|0,0,2]=4 21458 B13R0.179 CC(C)CCCCCCNC[N+](=O)[O-] 34a_100000211014_100000761209 [0,2,0,0,0,0|2,0,0]=4 21459 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [0,2,0,0,0,0|1,0,0]=3 21460 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [0,2,0,0,0,0|1,0,0]=3 21461 B13R0.179 CC(C)CCCCCNCCC(C)C 2230a_100011290863_100000210312 [0,2,0,0,0,0|1,0,1]=4 21462 B13R0.179 CC(C)CCCCCNCCC(C)C 269862a_100011290863_100000185833 [0,2,0,0,0,0|1,0,1]=4 21463 B13R0.179 CC(C)CCCCCNCCC(C)C 34a_100011290863_100000210312 [0,2,0,0,0,0|1,0,1]=4 21464 B13R0.179 CC(C)CCCCCNCCC(C)O 2230a_100011290863_100012276601 [0,2,0,0,0,0|0,0,2]=4 21465 B13R0.179 CC(C)CCCCCNCCC(C)O 2230a_200000755665_100000210682 [0,2,0,0,0,0|0,0,2]=4 21466 B13R0.179 CC(C)CCCCCNCCC(C)O 34a_100011290863_100012276601 [0,2,0,0,0,0|0,0,2]=4 21467 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [0,2,0,0,0,0|2,0,0]=4 21468 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [0,2,0,0,0,0|1,0,0]=3 21469 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [0,2,0,0,0,0|1,0,0]=3 21470 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [0,2,0,0,0,0|1,0,0]=3 21471 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [0,2,0,0,0,0|1,0,0]=3 21472 B13R0.179 CC(C)CCCCCOCCC(C)Br 34a_100009893172_100000210682 [0,2,0,0,0,0|1,0,1]=4 21473 B13R0.179 CC(C)CCCCCOCCC(C)C 34a_100000210254_100000210682 [0,2,0,0,0,0|1,0,1]=4 21474 B13R0.179 CC(C)CCCCCOCCC(C)C 34a_100011995859_100000210312 [0,2,0,0,0,0|1,0,1]=4 21475 B13R0.179 CC(C)CCCCCOCCC(C)C 7a_100000210254_100000210682 [0,2,0,0,0,0|1,0,1]=4 21476 B13R0.179 CC(C)CCCCCOCCC(C)C 7a_100011995859_100000210626 [0,2,0,0,0,0|1,0,1]=4 21477 B13R0.179 CC(C)CCCCCOCCC(C)O 34a_100011995859_100012276601 [0,2,0,0,0,0|0,0,2]=4 21478 B13R0.179 CC(C)CCCCCOCCC(C)O 7a_100011995859_100012276601 [0,2,0,0,0,0|0,0,2]=4 21479 B13R0.179 CC(C)CCCCCOCCN(C)C 7a_100011995859_100000755713 [0,2,0,0,0,0|2,0,0]=4 21480 B13R0.179 CC(C)CCCCCOCC[C@@H](C)N 34a_100000706166_100000210682 [0,2,0,0,0,0|1,0,1]=4 21481 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [0,2,0,0,0,0|1,0,0]=3 21482 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [0,2,0,0,0,0|1,0,0]=3 21483 B13R0.179 CC(C)CCCCCSCCC(C)C 62a_100000210312_100000210682 [0,2,0,0,0,0|1,0,1]=4 21484 B13R0.179 CC(C)CCCCCSCCC(C)C 62a_100000210682_100000210312 [0,2,0,0,0,0|1,0,1]=4 21485 B13R0.179 CC(C)CCCCCSCCC(C)O 62a_100000210682_100012276601 [0,2,0,0,0,0|0,0,2]=4 21486 B13R0.179 CC(C)CCCCCSCCC(C)O 62a_100012276601_100000210682 [0,2,0,0,0,0|0,0,2]=4 21487 B13R0.179 CC(C)CCCCCSCCN(C)C 62a_100000210682_100000755713 [0,2,0,0,0,0|2,0,0]=4 21488 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [0,2,0,0,0,0|1,0,0]=3 21489 B13R0.179 CC(C)CCCCNCCCC(C)C 2230a_200000737386_100011216152 [0,2,0,0,0,0|1,0,1]=4 21490 B13R0.179 CC(C)CCCCNCCCC(C)C 34a_200000737386_100011216152 [0,2,0,0,0,0|1,0,1]=4 21491 B13R0.179 CC(C)CCCCNCCCS(=O)C 2230a_200000753449_100011216152 [0,2,0,0,0,0|1,0,0]=3 21492 B13R0.179 CC(C)CCCCNCCNC(=O)N 34a_100020590234_100011216152 [0,2,0,0,0,0|2,0,0]=4 21493 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [0,2,0,0,0,0|1,0,0]=3 21494 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [0,2,0,0,0,0|1,0,0]=3 21495 B13R0.179 CC(C)CCCCOCCCC(C)C 34a_100000210774_100011216152 [0,2,0,0,0,0|1,0,1]=4 21496 B13R0.179 CC(C)CCCCOCCCC(C)C 34a_100011214890_100011214892 [0,2,0,0,0,0|1,0,1]=4 21497 B13R0.179 CC(C)CCCCOCCCC(C)C 7a_100000210774_100011216152 [0,2,0,0,0,0|1,0,1]=4 21498 B13R0.179 CC(C)CCCCOCCCC(C)C 7a_100011214890_100011214892 [0,2,0,0,0,0|1,0,1]=4 21499 B13R0.179 CC(C)CCCCOCCCC(C)O 34a_100011214890_200000718107 [0,2,0,0,0,0|0,0,2]=4 21500 B13R0.179 CC(C)CCCCOCCCC(C)O 7a_100011214890_200000718107 [0,2,0,0,0,0|0,0,2]=4 21501 B13R0.179 CC(C)CCCCOCCCN(C)C 7a_100011214890_100000757444 [0,2,0,0,0,0|2,0,0]=4 21502 B13R0.179 CC(C)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100011216152 [0,2,0,0,0,0|2,0,0]=4 21503 B13R0.179 CC(C)CCCCOCCNC(=O)N 34a_100000181757_100011216152 [0,2,0,0,0,0|2,0,0]=4 21504 B13R0.179 CC(C)CCCCOCCNC(=O)N 7a_100011214890_200000034859 [0,2,0,0,0,0|2,0,0]=4 21505 B13R0.179 CC(C)CCCCOCCOC(=O)N 34a_100011214890_200011214921 [0,2,0,0,0,0|2,0,0]=4 21506 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100000766696_100011216152 [0,2,0,0,0,0|2,0,0]=4 21507 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100011214890_200011214921 [0,2,0,0,0,0|2,0,0]=4 21508 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [0,2,0,0,0,0|1,0,0]=3 21509 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [0,2,0,0,0,0|1,0,0]=3 21510 B13R0.179 CC(C)CCCCSCCCC(C)C 62a_100011214892_100011216152 [0,2,0,0,0,0|1,0,1]=4 21511 B13R0.179 CC(C)CCCCSCCCC(C)C 62a_100011216152_100011214892 [0,2,0,0,0,0|1,0,1]=4 21512 B13R0.179 CC(C)CCCCSCCCC(C)O 62a_100011216152_200000718107 [0,2,0,0,0,0|0,0,2]=4 21513 B13R0.179 CC(C)CCCCSCCCC(C)O 62a_200000718107_100011216152 [0,2,0,0,0,0|0,0,2]=4 21514 B13R0.179 CC(C)CCCCSCCCN(C)C 62a_100011216152_100000757444 [0,2,0,0,0,0|2,0,0]=4 21515 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_100011216152_200000034859 [0,2,0,0,0,0|2,0,0]=4 21516 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_200000034859_100011216152 [0,2,0,0,0,0|2,0,0]=4 21517 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_100011216152_200011214921 [0,2,0,0,0,0|2,0,0]=4 21518 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_200011214921_100011216152 [0,2,0,0,0,0|2,0,0]=4 21519 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [0,2,0,0,0,0|1,0,0]=3 21520 B13R0.179 CC(C)CCCNCCOCC(=O)N 2230a_200000737386_100000076697 [0,2,0,0,0,0|2,0,0]=4 21521 B13R0.179 CC(C)CCCNCCOCC(=O)N 34a_200000737386_100000076697 [0,2,0,0,0,0|2,0,0]=4 21522 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,2,0,0,0,0|2,0,0]=4 21523 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [0,2,0,0,0,0|1,0,0]=3 21524 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [0,2,0,0,0,0|1,0,0]=3 21525 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214892 [0,2,0,0,0,0|2,0,0]=4 21526 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011214892 [0,2,0,0,0,0|2,0,0]=4 21527 B13R0.179 CC(C)CCCOCCOCC(=O)N 34a_100000210774_100000076697 [0,2,0,0,0,0|2,0,0]=4 21528 B13R0.179 CC(C)CCCOCCOCC(=O)N 7a_100000210774_100000076697 [0,2,0,0,0,0|2,0,0]=4 21529 B13R0.179 CC(C)CCCSCCCCN(C)C 62a_100011214892_100000690147 [0,2,0,0,0,0|2,0,0]=4 21530 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100000076697_100011214892 [0,2,0,0,0,0|2,0,0]=4 21531 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100011214892_100000076697 [0,2,0,0,0,0|2,0,0]=4 21532 B13R0.179 CC(C)CCNCCCCCN(C)C 269862a_100020635752_100000185833 [0,2,0,0,0,0|2,0,0]=4 21533 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [0,2,0,0,0,0|1,0,0]=3 21534 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [0,2,0,0,0,0|1,0,0]=3 21535 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [0,2,0,0,0,0|1,0,0]=3 21536 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [0,2,0,0,0,0|1,0,0]=3 21537 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [0,2,0,0,0,0|1,0,0]=3 21538 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [0,2,0,0,0,0|1,0,0]=3 21539 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [0,2,0,0,0,0|1,0,0]=3 21540 B13R0.179 CC(C)CNCCOCCCC(=O)N 34a_100015185251_100102525003 [0,2,0,0,0,0|2,0,0]=4 21541 B13R0.179 CC(C)COCCCNCCC(=O)N 2230a_100000205972_100000744528 [0,2,0,0,0,0|2,0,0]=4 21542 B13R0.179 CC(C)COCCCNCCC(=O)N 34a_100000205972_100000731001 [0,2,0,0,0,0|2,0,0]=4 21543 B13R0.179 CC(C)COCCOCCCC(=O)N 34a_100000703358_100102525003 [0,2,0,0,0,0|2,0,0]=4 21544 B13R0.179 CC(C)COCCOCCCC(=O)N 7a_100000703358_100102525003 [0,2,0,0,0,0|2,0,0]=4 21545 B13R0.179 CC(C)CSCCOCCCC(=O)N 34a_200000230437_100102525003 [0,2,0,0,0,0|2,0,0]=4 21546 B13R0.179 CC(C)CSCCOCCCC(=O)N 7a_200000230437_100102525003 [0,2,0,0,0,0|2,0,0]=4 21547 B13R0.179 CC(C)NCCCCCOCC(=O)N 34a_100011629493_100000187820 [0,2,0,0,0,0|2,0,0]=4 21548 B13R0.179 CC(C)NCCCCCOCC(=O)[O-] 34a_100011629493_100020667443 [0,2,0,0,0,0|2,0,0]=4 21549 B13R0.179 CC(C)NCCCCOCCC(=O)N 34a_100011521146_100000731001 [0,2,0,0,0,0|2,0,0]=4 21550 B13R0.179 CC(C)NCCCOCCCC(=O)N 34a_100000182298_100102525003 [0,2,0,0,0,0|2,0,0]=4 21551 B13R0.179 CC(C)OCCCNCCCC(=O)N 34a_100000737246_100102525003 [0,2,0,0,0,0|2,0,0]=4 21552 B13R0.179 CC(C)OCCNCCCCC(=O)N 34a_100000696515_100000211751 [0,2,0,0,0,0|2,0,0]=4 21553 B13R0.179 CC(C)OCCOCCCCC(=O)N 34a_100012022536_100000211751 [0,2,0,0,0,0|2,0,0]=4 21554 B13R0.179 CC(C)OCCOCCCCC(=O)N 7a_100012022536_100000211751 [0,2,0,0,0,0|2,0,0]=4 21555 B13R0.179 CC(C)OCOCCCCCC(=O)N 34a_100000123541_100000709892 [0,2,0,0,0,0|2,0,0]=4 21556 B13R0.179 CC(C)OCSCCCCCC(=O)N 62a_100000709892_100009817443 [0,2,0,0,0,0|2,0,0]=4 21557 B13R0.179 CC(C)OCSCCCCCC(=O)N 62a_100009817443_100000709892 [0,2,0,0,0,0|2,0,0]=4 21558 B13R0.179 CC(C)SCCNCCCCC(=O)N 34a_100000696515_100000730970 [0,2,0,0,0,0|2,0,0]=4 21559 B13R0.179 CC(C)SCCOCCCCC(=O)N 34a_100012022536_100000730970 [0,2,0,0,0,0|2,0,0]=4 21560 B13R0.179 CC(C)SCCOCCCCC(=O)N 7a_100012022536_100000730970 [0,2,0,0,0,0|2,0,0]=4 21561 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,2,0,0,0,0|1,0,0]=3 21562 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,2,0,0,0,0|2,0,0]=4 21563 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,2,0,0,0,0|1,0,0]=3 21564 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,2,0,0,0,0|1,0,0]=3 21565 B13R0.179 CC(O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_200000718107 [0,2,0,0,0,0|2,0,0]=4 21566 B13R0.179 CC(O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_200000718107 [0,2,0,0,0,0|2,0,0]=4 21567 B13R0.179 CC(O)CCCSCCCCN(C)C 62a_200000718107_100000690147 [0,2,0,0,0,0|2,0,0]=4 21568 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_100000076697_200000718107 [0,2,0,0,0,0|2,0,0]=4 21569 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_200000718107_100000076697 [0,2,0,0,0,0|2,0,0]=4 21570 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,2,0,0,0,0|1,0,0]=3 21571 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,2,0,0,0,0|1,0,0]=3 21572 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,2,0,0,0,0|1,0,0]=3 21573 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,2,0,0,0,0|1,0,0]=3 21574 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,2,0,0,0,0|1,0,0]=3 21575 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,2,0,0,0,0|1,0,0]=3 21576 B13R0.179 CN(C)CCCCSCCCC(=O)N 62a_100102525003_100000690147 [0,2,0,0,0,0|2,0,0]=4 21577 B13R0.179 CN(C)CCCOCCCCC(=O)N 7a_100012022536_100000757444 [0,2,0,0,0,0|2,0,0]=4 21578 B13R0.179 CN(C)CCOCCCCCC(=O)N 7a_100000123541_100000755713 [0,2,0,0,0,0|2,0,0]=4 21579 B13R0.179 CN(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000755713 [0,2,0,0,0,0|2,0,0]=4 21580 B13R0.179 CN(C)CCSCCCCCC(=O)N 62a_100009817443_100000755713 [0,2,0,0,0,0|2,0,0]=4 21581 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [0,2,0,0,0,0|1,0,0]=3 21582 B13R0.179 NC(=O)CCCCCOCCC(F)F 34a_100103093639_100009817443 [0,2,0,0,0,0|2,0,0]=4 21583 B13R0.202 C#CC(C)NCCCCCNC(=O)C 34a_200012022750_200000035995 [0,2,0,0,0,0|2,0,0]=4 21584 B13R0.202 C#CC(C)NCCCCCOC(=O)C 2230a_100000707721_100009813381 [0,2,0,0,0,0|2,0,0]=4 21585 B13R0.202 C#CC(C)NCCCCCOC(=O)C 34a_100000707721_100000033007 [0,2,0,0,0,0|2,0,0]=4 21586 B13R0.202 C#CC(C)SCCCCCOC(=O)C 62a_200000035995_100000033007 [0,2,0,0,0,0|2,0,0]=4 21587 B13R0.202 C#CC(O)CCCCCOCC(=O)C 34a_100000211253_200010408556 [0,2,0,0,0,0|0,0,2]=4 21588 B13R0.202 C#C[C@@H](C)OCCCCCOC(=O)C 34a_100009815206_100000033007 [0,2,0,0,0,0|2,0,0]=4 21589 B13R0.202 C#C[C@@H](C)OCCCCCOC(=O)C 7a_100009815206_100000033007 [0,2,0,0,0,0|2,0,0]=4 21590 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000059025_100000730704 [0,2,0,0,0,0|1,0,1]=4 21591 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000764851_100000204269 [0,2,0,0,0,0|1,0,1]=4 21592 B13R0.202 C=C(C)CCOCCCCC(=O)OC 7a_100000059025_100000730704 [0,2,0,0,0,0|1,0,1]=4 21593 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000204269_100000730704 [0,2,0,0,0,0|1,0,1]=4 21594 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000730704_100000204269 [0,2,0,0,0,0|1,0,1]=4 21595 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000074720_100000748629 [0,2,0,0,0,0|1,0,1]=4 21596 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000210245_100009816466 [0,2,0,0,0,0|1,0,1]=4 21597 B13R0.202 C=C(C)COCCCCCC(=O)OC 7a_100000074720_100000748629 [0,2,0,0,0,0|1,0,1]=4 21598 B13R0.202 C=C(C)COCCCCCC(C)CC 7a_200000035636_100000748629 [0,2,0,0,0,0|1,0,0]=3 21599 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100000748629_100009816466 [0,2,0,0,0,0|1,0,1]=4 21600 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100009816466_100000211660 [0,2,0,0,0,0|1,0,1]=4 21601 B13R0.202 C=C(F)COCCCCCC(C)CC 7a_200000035636_100000042424 [0,2,0,0,0,0|1,0,1]=4 21602 B13R0.202 C=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000185746 [0,2,0,0,0,0|1,0,1]=4 21603 B13R0.202 C=CC(=O)NCCCCCCC(C)C 240690a_100000211014_200121576911 [0,2,0,0,0,0|1,0,1]=4 21604 B13R0.202 C=CC(C)COCCCCCC(=O)N 34a_100011215527_100009817443 [0,2,0,0,0,0|2,0,0]=4 21605 B13R0.202 C=CC(C)COCCCCCC(=O)N 7a_100011215527_100009817443 [0,2,0,0,0,0|2,0,0]=4 21606 B13R0.202 C=CC(C)COCCCCOC(=O)C 34a_100011215527_100000033659 [0,2,0,0,0,0|2,0,0]=4 21607 B13R0.202 C=CC(C)COCCCCOC(=O)C 7a_100011215527_100000033659 [0,2,0,0,0,0|2,0,0]=4 21608 B13R0.202 C=CC(C)COCCCCSC(=O)C 34a_100011215527_200010402107 [0,2,0,0,0,0|2,0,0]=4 21609 B13R0.202 C=CC(C)COCCCCSC(=O)C 7a_100011215527_200010402107 [0,2,0,0,0,0|2,0,0]=4 21610 B13R0.202 C=CC(C)OCCCCCOC(=O)C 34a_100000695699_100000033007 [0,2,0,0,0,0|2,0,0]=4 21611 B13R0.202 C=CC(C)SCCCCCOC(=O)C 62a_100011215867_100000033007 [0,2,0,0,0,0|2,0,0]=4 21612 B13R0.202 CC(=O)CCCCNCCC(C)CO 34a_106354213184_100009817362 [0,2,0,0,0,0|1,0,0]=3 21613 B13R0.202 CC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100000685027 [0,2,0,0,0,0|1,0,0]=3 21614 B13R0.202 CC(=O)NCCCCCNC(C)C#N 2230a_200012022750_100000184139 [0,2,0,0,0,0|2,0,0]=4 21615 B13R0.202 CC(=O)NCCCCCNC(C)CO 2230a_200012022750_100012180447 [0,2,0,0,0,0|2,0,0]=4 21616 B13R0.202 CC(=O)NCCCCCNC(C)CO 34a_200012022750_100012180447 [0,2,0,0,0,0|2,0,0]=4 21617 B13R0.202 CC(=O)NCCCCNCC(O)CO 2230a_200011368371_100011219619 [0,2,0,0,0,0|2,0,0]=4 21618 B13R0.202 CC(=O)NCCCCNCC(O)CO 34a_200011368371_100011219619 [0,2,0,0,0,0|2,0,0]=4 21619 B13R0.202 CC(=O)NCCCCNC[C@@H](C)CO 2230a_200011368371_100000059175 [0,2,0,0,0,0|2,0,0]=4 21620 B13R0.202 CC(=O)NCCCCNC[C@@H](C)CO 34a_200011368371_100000059175 [0,2,0,0,0,0|2,0,0]=4 21621 B13R0.202 CC(=O)NCCCCNC[C@@H](O)CF 2230a_200011368371_100015614560 [0,2,0,0,0,0|2,0,0]=4 21622 B13R0.202 CC(=O)NCCCCNC[C@@H](O)CF 34a_200011368371_100015614560 [0,2,0,0,0,0|2,0,0]=4 21623 B13R0.202 CC(=O)NCCCCNC[C@@H](O)CO 2230a_200011368371_100009815848 [0,2,0,0,0,0|2,0,0]=4 21624 B13R0.202 CC(=O)NCCCCNC[C@@H](O)CO 34a_200011368371_100009815848 [0,2,0,0,0,0|2,0,0]=4 21625 B13R0.202 CC(=O)OCCCCCNC(C)C#N 2230a_100000737613_100009813381 [0,2,0,0,0,0|2,0,0]=4 21626 B13R0.202 CC(=O)OCCCCCN[C@H](C)CO 2230a_100000737577_100009813381 [0,2,0,0,0,0|2,0,0]=4 21627 B13R0.202 CC(=O)OCCCCCOC(C)C#N 34a_100011218135_100000033007 [0,2,0,0,0,0|2,0,0]=4 21628 B13R0.202 CC(=O)OCCCCCOC(C)CF 34a_100016041109_100000033007 [0,2,0,0,0,0|2,0,0]=4 21629 B13R0.202 CC(=O)OCCCCCOC(C)CF 7a_100016041109_100000033007 [0,2,0,0,0,0|2,0,0]=4 21630 B13R0.202 CC(=O)OCCCCCOC(C)CN 34a_100000210904_100000033007 [0,2,0,0,0,0|2,0,0]=4 21631 B13R0.202 CC(=O)OCCCCCSC(C)C#N 62a_100000033007_100000703298 [0,2,0,0,0,0|2,0,0]=4 21632 B13R0.202 CC(=O)OCCCCCSC(C)C#N 62a_100000703298_100000033007 [0,2,0,0,0,0|2,0,0]=4 21633 B13R0.202 CC(=O)OCCCCCSC(C)CO 62a_100012180447_100000033007 [0,2,0,0,0,0|2,0,0]=4 21634 B13R0.202 CC(=O)OCCCCCS[C@H](C)CO 62a_100000033007_100016084084 [0,2,0,0,0,0|2,0,0]=4 21635 B13R0.202 CC(=O)OCCCCCS[C@H](C)CO 62a_100016084084_100000033007 [0,2,0,0,0,0|2,0,0]=4 21636 B13R0.202 CC(=O)OCCCCNCC(C)CO 34a_100000744482_100000033659 [0,2,0,0,0,0|2,0,0]=4 21637 B13R0.202 CC(=O)OCCCCNC[C@@H](F)CO 34a_100015665980_100000033659 [0,2,0,0,0,0|2,0,0]=4 21638 B13R0.202 CC(=O)OCCCCOCC(C)CN 34a_100000744482_100000033659 [0,2,0,0,0,0|2,0,0]=4 21639 B13R0.202 CC(=O)OCCCCOCC(Cl)CCl 34a_100000033668_100000033659 [0,2,0,0,0,0|2,0,0]=4 21640 B13R0.202 CC(=O)OCCCCOCC(O)CO 34a_100000073216_100011219619 [0,2,0,0,0,0|2,0,0]=4 21641 B13R0.202 CC(=O)OCCCCOCC(O)CO 7a_100000073216_100011219619 [0,2,0,0,0,0|2,0,0]=4 21642 B13R0.202 CC(=O)OCCCCOC[C@@H](C)CO 34a_100000073216_100000059175 [0,2,0,0,0,0|2,0,0]=4 21643 B13R0.202 CC(=O)OCCCCOC[C@@H](C)CO 7a_100000073216_100000059175 [0,2,0,0,0,0|2,0,0]=4 21644 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CF 34a_100000073216_100015614560 [0,2,0,0,0,0|2,0,0]=4 21645 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CF 7a_100000073216_100015614560 [0,2,0,0,0,0|2,0,0]=4 21646 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CO 34a_100000073216_100009815848 [0,2,0,0,0,0|2,0,0]=4 21647 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CO 7a_100000073216_100009815848 [0,2,0,0,0,0|2,0,0]=4 21648 B13R0.202 CC(=O)OCCCCOC[C@H](F)CN 34a_100015665980_100000033659 [0,2,0,0,0,0|2,0,0]=4 21649 B13R0.202 CC(=O)OCCCCSCC(O)CO 62a_100000033659_100011219619 [0,2,0,0,0,0|2,0,0]=4 21650 B13R0.202 CC(=O)OCCCCSCC(O)CO 62a_100011219619_100000033659 [0,2,0,0,0,0|2,0,0]=4 21651 B13R0.202 CC(=O)OCCCCSC[C@@H](C)CO 62a_100000033659_100000059175 [0,2,0,0,0,0|2,0,0]=4 21652 B13R0.202 CC(=O)OCCCCSC[C@@H](C)CO 62a_100000059175_100000033659 [0,2,0,0,0,0|2,0,0]=4 21653 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CF 62a_100000033659_100015614560 [0,2,0,0,0,0|2,0,0]=4 21654 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CF 62a_100015614560_100000033659 [0,2,0,0,0,0|2,0,0]=4 21655 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CO 62a_100000033659_100009815848 [0,2,0,0,0,0|2,0,0]=4 21656 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CO 62a_100009815848_100000033659 [0,2,0,0,0,0|2,0,0]=4 21657 B13R0.202 CC(=O)OCCCNCCC(C)CO 34a_106354213184_100000042594 [0,2,0,0,0,0|2,0,0]=4 21658 B13R0.202 CC(=O)OCCOCCC[C@@H](C)CN 34a_100160569302_100009814007 [0,2,0,0,0,0|2,0,0]=4 21659 B13R0.202 CC(=O)SCCCCNCC(C)CO 34a_100000744482_200010402107 [0,2,0,0,0,0|2,0,0]=4 21660 B13R0.202 CC(=O)SCCCCNC[C@@H](F)CO 34a_100015665980_200010402107 [0,2,0,0,0,0|2,0,0]=4 21661 B13R0.202 CC(=O)SCCCCNC[C@H](O)CO 2230a_100020644852_200010402107 [0,2,0,0,0,0|2,0,0]=4 21662 B13R0.202 CC(=O)SCCCCOCC(C)CN 34a_100000744482_200010402107 [0,2,0,0,0,0|2,0,0]=4 21663 B13R0.202 CC(=O)SCCCCOCC(Cl)CCl 34a_100000033668_200010402107 [0,2,0,0,0,0|2,0,0]=4 21664 B13R0.202 CC(=O)SCCCCOC[C@H](F)CN 34a_100015665980_200010402107 [0,2,0,0,0,0|2,0,0]=4 21665 B13R0.202 CC(=O)SCCCCSCC(O)CO 62a_100011219619_200010402107 [0,2,0,0,0,0|2,0,0]=4 21666 B13R0.202 CC(=O)SCCCCSCC(O)CO 62a_200010402107_100011219619 [0,2,0,0,0,0|2,0,0]=4 21667 B13R0.202 CC(=O)SCCCCSC[C@@H](C)CO 62a_100000059175_200010402107 [0,2,0,0,0,0|2,0,0]=4 21668 B13R0.202 CC(=O)SCCCCSC[C@@H](C)CO 62a_200010402107_100000059175 [0,2,0,0,0,0|2,0,0]=4 21669 B13R0.202 CC(=O)SCCCCSC[C@@H](O)CF 62a_100015614560_200010402107 [0,2,0,0,0,0|2,0,0]=4 21670 B13R0.202 CC(=O)SCCCCSC[C@@H](O)CF 62a_200010402107_100015614560 [0,2,0,0,0,0|2,0,0]=4 21671 B13R0.202 CC(=O)SCCCCSC[C@@H](O)CO 62a_100009815848_200010402107 [0,2,0,0,0,0|2,0,0]=4 21672 B13R0.202 CC(=O)SCCCCSC[C@@H](O)CO 62a_200010402107_100009815848 [0,2,0,0,0,0|2,0,0]=4 21673 B13R0.202 CC(=O)SCCCNCCC(C)CO 2230a_106354213184_100000038929 [0,2,0,0,0,0|2,0,0]=4 21674 B13R0.202 CC(=O)SCCCNCCC(C)CO 34a_106354213184_100000038929 [0,2,0,0,0,0|2,0,0]=4 21675 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [0,2,0,0,0,0|1,0,0]=3 21676 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [0,2,0,0,0,0|1,0,0]=3 21677 B13R0.202 CC(C)CCCOCCCC(=O)NN 34a_100000211488_100011214892 [0,2,0,0,0,0|2,0,0]=4 21678 B13R0.202 CC(CN)COCCCCCC(=O)N 34a_100000744482_100009817443 [0,2,0,0,0,0|2,0,0]=4 21679 B13R0.202 CC(CO)CNCCCCCC(=O)N 34a_100000744482_100009817443 [0,2,0,0,0,0|2,0,0]=4 21680 B13R0.202 CC(O)CCCOCCCC(=O)NN 34a_100000211488_200000718107 [0,2,0,0,0,0|2,0,0]=4 21681 B13R0.202 CCC(=O)COCCCCCC(=O)N 34a_100000725409_100009817443 [0,2,0,0,0,0|1,0,1]=4 21682 B13R0.202 CCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747405 [0,2,0,0,0,0|1,0,1]=4 21683 B13R0.202 CCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747405 [0,2,0,0,0,0|1,0,1]=4 21684 B13R0.202 CCC(=O)COCCCCCC(C)C 34a_100000725409_100000210682 [0,2,0,0,0,0|1,0,0]=3 21685 B13R0.202 CCC(=O)COCCCCCC(C)C 7a_100011995859_100000747405 [0,2,0,0,0,0|1,0,0]=3 21686 B13R0.202 CCC(=O)COCCCCOC(=O)C 34a_100000725409_100000033659 [0,2,0,0,0,0|1,0,1]=4 21687 B13R0.202 CCC(=O)COCCCCOC(=O)C 7a_100000073216_100000747405 [0,2,0,0,0,0|1,0,1]=4 21688 B13R0.202 CCC(=O)COCCCCSC(=O)C 34a_100000725409_200010402107 [0,2,0,0,0,0|1,0,1]=4 21689 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100000747405_100009817443 [0,2,0,0,0,0|1,0,1]=4 21690 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747405 [0,2,0,0,0,0|1,0,1]=4 21691 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747405 [0,2,0,0,0,0|1,0,0]=3 21692 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000747405_100000210682 [0,2,0,0,0,0|1,0,0]=3 21693 B13R0.202 CCC(=O)CSCCCCOC(=O)C 62a_100000033659_100000747405 [0,2,0,0,0,0|1,0,1]=4 21694 B13R0.202 CCC(=O)CSCCCCOC(=O)C 62a_100000747405_100000033659 [0,2,0,0,0,0|1,0,1]=4 21695 B13R0.202 CCC(=O)CSCCCCSC(=O)C 62a_100000747405_200010402107 [0,2,0,0,0,0|1,0,1]=4 21696 B13R0.202 CCC(=O)CSCCCCSC(=O)C 62a_200010402107_100000747405 [0,2,0,0,0,0|1,0,1]=4 21697 B13R0.202 CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 21698 B13R0.202 CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 21699 B13R0.202 CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 21700 B13R0.202 CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 21701 B13R0.202 CCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000210414 [0,2,0,0,0,0|2,0,0]=4 21702 B13R0.202 CCC(=O)NCCCCCNC(=O)C 1626a_200012022750_100000210414 [0,2,0,0,0,0|1,0,1]=4 21703 B13R0.202 CCC(=O)NCCCCCNC(=O)C 240690a_200012022750_100000210414 [0,2,0,0,0,0|1,0,1]=4 21704 B13R0.202 CCC(=O)NCCCCCNC(=O)C 527a_200012022750_100000210414 [0,2,0,0,0,0|1,0,1]=4 21705 B13R0.202 CCC(=O)NCCNCCCC(=O)C 34a_100132302217_100000685027 [0,2,0,0,0,0|1,0,1]=4 21706 B13R0.202 CCC(=O)NCCNCCCC(C)C 34a_100132302217_100011214892 [0,2,0,0,0,0|2,0,0]=4 21707 B13R0.202 CCC(=O)NCCNCCCC(C)O 34a_100132302217_200000718107 [0,2,0,0,0,0|2,0,0]=4 21708 B13R0.202 CCC(=O)NCCOCCCC(=O)C 34a_200000158885_100000685027 [0,2,0,0,0,0|1,0,1]=4 21709 B13R0.202 CCC(=O)NCCOCCCC(=O)C 7a_200000158885_100011215641 [0,2,0,0,0,0|1,0,1]=4 21710 B13R0.202 CCC(=O)NCCOCCCC(C)C 34a_200000158885_100011214892 [0,2,0,0,0,0|2,0,0]=4 21711 B13R0.202 CCC(=O)NCCOCCCC(C)C 7a_200000158885_100011214892 [0,2,0,0,0,0|2,0,0]=4 21712 B13R0.202 CCC(=O)NCCOCCCC(C)O 34a_200000158885_200000718107 [0,2,0,0,0,0|2,0,0]=4 21713 B13R0.202 CCC(=O)NCCOCCCC(C)O 7a_200000158885_200000718107 [0,2,0,0,0,0|2,0,0]=4 21714 B13R0.202 CCC(=O)OCCOCCCC(=O)C 7a_200000031056_100011215641 [0,2,0,0,0,0|1,0,1]=4 21715 B13R0.202 CCC(=O)OCCOCCCC(C)C 7a_200000031056_100011214892 [0,2,0,0,0,0|2,0,0]=4 21716 B13R0.202 CCC(=O)OCCOCCCC(C)O 7a_200000031056_200000718107 [0,2,0,0,0,0|2,0,0]=4 21717 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [0,2,0,0,0,0|1,0,0]=3 21718 B13R0.202 CCC(C)CCCCCOCC(C)C 7a_200000035636_100000210760 [0,2,0,0,0,0|1,0,1]=4 21719 B13R0.202 CCC(C)CCCCCOCC(C)O 7a_200000035636_100011218427 [0,2,0,0,0,0|0,0,2]=4 21720 B13R0.202 CCC(C)CCCCCOC[C@@H](C)O 7a_200000035636_100009817552 [0,2,0,0,0,0|0,0,2]=4 21721 B13R0.202 CCC(C)CCCOCCC=C(C)C 7a_100011216074_100011217483 [0,2,0,0,0,0|1,0,1]=4 21722 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [0,2,0,0,0,0|0,0,0]=2 21723 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [0,2,0,0,0,0|1,0,0]=3 21724 B13R0.202 CCC(C)CCCOCCCC(C)C 7a_100011216074_100011214892 [0,2,0,0,0,0|1,0,1]=4 21725 B13R0.202 CCC(C)CCCOCCCC(C)O 7a_100011216074_200000718107 [0,2,0,0,0,0|0,0,2]=4 21726 B13R0.202 CCC(C)CCCOCCCN(C)C 7a_100011216074_100000757444 [0,2,0,0,0,0|2,0,0]=4 21727 B13R0.202 CCC(C)CCCOCCNC(=O)C 7a_100011216074_100000189650 [0,2,0,0,0,0|1,0,0]=3 21728 B13R0.202 CCC(C)CCCOCCNC(=O)N 7a_100011216074_200000034859 [0,2,0,0,0,0|2,0,0]=4 21729 B13R0.202 CCC(C)CCCOCCOC(=O)C 7a_100011216074_100009814007 [0,2,0,0,0,0|1,0,0]=3 21730 B13R0.202 CCC(C)CCCOCCOC(=O)N 7a_100011216074_200011214921 [0,2,0,0,0,0|2,0,0]=4 21731 B13R0.202 CCC(C)CCNCCCCC(C)C 2230a_100020591266_100011216152 [0,2,0,0,0,0|1,0,1]=4 21732 B13R0.202 CCC(C)CCNCCCOC(=S)C 2230a_100020591266_200135323944 [0,2,0,0,0,0|1,1,0]=4 21733 B13R0.202 CCC(C)CCNCCCSC(=O)C 2230a_100020591266_100000038929 [0,2,0,0,0,0|1,0,0]=3 21734 B13R0.202 CCC(C)CCNCCOCC(=O)N 2230a_100020591266_100000076697 [0,2,0,0,0,0|2,0,0]=4 21735 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [0,2,0,0,0,0|0,0,0]=2 21736 B13R0.202 CCC(C)CCOCCCCC(C)C 7a_100011215188_100011216152 [0,2,0,0,0,0|1,0,1]=4 21737 B13R0.202 CCC(C)CCOCCCOC(=O)C 7a_100011215188_100000042594 [0,2,0,0,0,0|1,0,0]=3 21738 B13R0.202 CCC(C)CCOCCCOC(=S)C 7a_100011215188_200135323944 [0,2,0,0,0,0|1,1,0]=4 21739 B13R0.202 CCC(C)CCOCCCSC(=O)C 7a_100011215188_100000038929 [0,2,0,0,0,0|1,0,0]=3 21740 B13R0.202 CCC(C)CCOCCOCC(=O)N 7a_100011215188_100000076697 [0,2,0,0,0,0|2,0,0]=4 21741 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [0,2,0,0,0,0|1,0,0]=3 21742 B13R0.202 CCC(C)CNCCCCCC(C)C 2230a_100011290863_100000748023 [0,2,0,0,0,0|1,0,1]=4 21743 B13R0.202 CCC(C)CNCCCCCC(C)C 2230a_100020588543_100000210682 [0,2,0,0,0,0|1,0,1]=4 21744 B13R0.202 CCC(C)CNCCCCCC(C)C 270004a_100011290863_100000243153 [0,2,0,0,0,0|1,0,1]=4 21745 B13R0.202 CCC(C)CNCCCCCC(C)C 34a_100011290863_100000748023 [0,2,0,0,0,0|1,0,1]=4 21746 B13R0.202 CCC(C)CNCCCCNC(=O)C 2230a_200011368371_100000748023 [0,2,0,0,0,0|1,0,0]=3 21747 B13R0.202 CCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243153 [0,2,0,0,0,0|1,0,0]=3 21748 B13R0.202 CCC(C)CNCCCCNC(=O)C 34a_200011368371_100000748023 [0,2,0,0,0,0|1,0,0]=3 21749 B13R0.202 CCC(C)CNCCCCSC(=O)C 2230a_100020588543_200010402107 [0,2,0,0,0,0|1,0,0]=3 21750 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [0,2,0,0,0,0|1,0,0]=3 21751 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [0,2,0,0,0,0|1,0,0]=3 21752 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [0,2,0,0,0,0|1,0,0]=3 21753 B13R0.202 CCC(C)COCCCCCC(C)C 34a_100011995859_100000748023 [0,2,0,0,0,0|1,0,1]=4 21754 B13R0.202 CCC(C)COCCCCCC(C)C 7a_100011995859_100000748023 [0,2,0,0,0,0|1,0,1]=4 21755 B13R0.202 CCC(C)COCCCCOC(=O)C 34a_100000073216_100000748023 [0,2,0,0,0,0|1,0,0]=3 21756 B13R0.202 CCC(C)COCCCCOC(=O)C 7a_100000073216_100000748023 [0,2,0,0,0,0|1,0,0]=3 21757 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [0,2,0,0,0,0|1,0,0]=3 21758 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [0,2,0,0,0,0|1,0,0]=3 21759 B13R0.202 CCC(C)CSCCCCCC(C)C 62a_100000210682_100000748023 [0,2,0,0,0,0|1,0,1]=4 21760 B13R0.202 CCC(C)CSCCCCCC(C)C 62a_100000748023_100000210682 [0,2,0,0,0,0|1,0,1]=4 21761 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000033659_100000748023 [0,2,0,0,0,0|1,0,0]=3 21762 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000748023_100000033659 [0,2,0,0,0,0|1,0,0]=3 21763 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_100000748023_200010402107 [0,2,0,0,0,0|1,0,0]=3 21764 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_200010402107_100000748023 [0,2,0,0,0,0|1,0,0]=3 21765 B13R0.202 CCC(C)CSCOCCOC(=O)C 62a_100000076355_100000748023 [0,2,0,0,0,0|2,0,0]=4 21766 B13R0.202 CCC(C)CSCOCCOC(=O)C 62a_100000748023_100000076355 [0,2,0,0,0,0|2,0,0]=4 21767 B13R0.202 CCC(C)NCCCCCCC(C)C 2230a_100000211014_100000758301 [0,2,0,0,0,0|1,0,1]=4 21768 B13R0.202 CCC(C)NCCCCCCC(C)C 34a_100000211014_100011215416 [0,2,0,0,0,0|1,0,1]=4 21769 B13R0.202 CCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000758301 [0,2,0,0,0,0|1,0,0]=3 21770 B13R0.202 CCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215416 [0,2,0,0,0,0|1,0,0]=3 21771 B13R0.202 CCC(C)NCCCCCOC(=O)C 2230a_100000209981_100009813381 [0,2,0,0,0,0|1,0,0]=3 21772 B13R0.202 CCC(C)NCCOCCOC(=O)C 2230a_100000209981_200000083610 [0,2,0,0,0,0|2,0,0]=4 21773 B13R0.202 CCC(C)OCCCCCOC(=O)C 7a_100000210228_100000033007 [0,2,0,0,0,0|1,0,0]=3 21774 B13R0.202 CCC(C)OCCOCCOC(=O)C 7a_100000210228_200000083610 [0,2,0,0,0,0|2,0,0]=4 21775 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000033007_100000758301 [0,2,0,0,0,0|1,0,0]=3 21776 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000758301_100000033007 [0,2,0,0,0,0|1,0,0]=3 21777 B13R0.202 CCC(C)SCCOCCOC(=O)C 62a_100000758301_200000083610 [0,2,0,0,0,0|2,0,0]=4 21778 B13R0.202 CCC(C)SCCOCCOC(=O)C 62a_200000083610_100000758301 [0,2,0,0,0,0|2,0,0]=4 21779 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [0,2,0,0,0,0|1,0,0]=3 21780 B13R0.202 CCC(O)CNCCCCCC(C)C 2230a_100011218483_100000210682 [0,2,0,0,0,0|1,0,1]=4 21781 B13R0.202 CCC(O)CNCCCCCC(C)C 2230a_100011290863_100011218378 [0,2,0,0,0,0|1,0,1]=4 21782 B13R0.202 CCC(O)CNCCCCCC(C)C 34a_100011290863_100011218378 [0,2,0,0,0,0|1,0,1]=4 21783 B13R0.202 CCC(O)CNCCCCNC(=O)C 2230a_200011368371_100011218378 [0,2,0,0,0,0|1,0,0]=3 21784 B13R0.202 CCC(O)CNCCCCNC(=O)C 34a_200011368371_100011218378 [0,2,0,0,0,0|1,0,0]=3 21785 B13R0.202 CCC(O)CNCCCCSC(=O)C 2230a_100011218483_200010402107 [0,2,0,0,0,0|1,0,0]=3 21786 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [0,2,0,0,0,0|1,0,0]=3 21787 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [0,2,0,0,0,0|1,0,0]=3 21788 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [0,2,0,0,0,0|1,0,0]=3 21789 B13R0.202 CCC(O)COCCCCCC(C)C 34a_100011995859_100011218378 [0,2,0,0,0,0|1,0,1]=4 21790 B13R0.202 CCC(O)COCCCCCC(C)C 7a_100011995859_100011218378 [0,2,0,0,0,0|1,0,1]=4 21791 B13R0.202 CCC(O)COCCCCOC(=O)C 34a_100000073216_100011218378 [0,2,0,0,0,0|1,0,0]=3 21792 B13R0.202 CCC(O)COCCCCOC(=O)C 7a_100000073216_100011218378 [0,2,0,0,0,0|1,0,0]=3 21793 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [0,2,0,0,0,0|1,0,0]=3 21794 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [0,2,0,0,0,0|1,0,0]=3 21795 B13R0.202 CCC(O)CSCCCCCC(C)C 62a_100000210682_100011218378 [0,2,0,0,0,0|1,0,1]=4 21796 B13R0.202 CCC(O)CSCCCCCC(C)C 62a_100011218378_100000210682 [0,2,0,0,0,0|1,0,1]=4 21797 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100000033659_100011218378 [0,2,0,0,0,0|1,0,0]=3 21798 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100011218378_100000033659 [0,2,0,0,0,0|1,0,0]=3 21799 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_100011218378_200010402107 [0,2,0,0,0,0|1,0,0]=3 21800 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_200010402107_100011218378 [0,2,0,0,0,0|1,0,0]=3 21801 B13R0.202 CCC(O)CSCOCCOC(=O)C 62a_100000076355_100011218378 [0,2,0,0,0,0|2,0,0]=4 21802 B13R0.202 CCC(O)CSCOCCOC(=O)C 62a_100011218378_100000076355 [0,2,0,0,0,0|2,0,0]=4 21803 B13R0.202 CCN(C)CCCNCCCS(=O)C 2230a_200000753449_100015186262 [0,2,0,0,0,0|2,0,0]=4 21804 B13R0.202 CCN(C)CCCNCCNC(=O)C 2230a_100000209853_100015186262 [0,2,0,0,0,0|2,0,0]=4 21805 B13R0.202 CCN(C)CCCOCCCC(=O)C 7a_100000759063_100015186262 [0,2,0,0,0,0|1,0,0]=3 21806 B13R0.202 CCN(C)CCCSCCCC(=O)C 62a_100011215641_100015186262 [0,2,0,0,0,0|1,0,0]=3 21807 B13R0.202 CCN(C)CCCSCCCC(=O)N 62a_100102525003_100015186262 [0,2,0,0,0,0|2,0,0]=4 21808 B13R0.202 CCN(C)CCCSCCNC(=O)C 62a_100000189650_100015186262 [0,2,0,0,0,0|2,0,0]=4 21809 B13R0.202 CCN(C)CCCSCCOC(=O)C 62a_100009814007_100015186262 [0,2,0,0,0,0|2,0,0]=4 21810 B13R0.202 CC[C@H](C)CNCCCCCC(C)C 2230a_100011290863_100009816398 [0,2,0,0,0,0|1,0,1]=4 21811 B13R0.202 CC[C@H](C)CNCCCCCC(C)C 34a_100011290863_100009816398 [0,2,0,0,0,0|1,0,1]=4 21812 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 2230a_200011368371_100009816398 [0,2,0,0,0,0|1,0,0]=3 21813 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 34a_200011368371_100009816398 [0,2,0,0,0,0|1,0,0]=3 21814 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [0,2,0,0,0,0|1,0,0]=3 21815 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [0,2,0,0,0,0|1,0,0]=3 21816 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [0,2,0,0,0,0|1,0,0]=3 21817 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [0,2,0,0,0,0|1,0,0]=3 21818 B13R0.202 CC[C@H](C)COCCCCCC(C)C 34a_100011995859_100009816398 [0,2,0,0,0,0|1,0,1]=4 21819 B13R0.202 CC[C@H](C)COCCCCCC(C)C 7a_100009816381_100000210682 [0,2,0,0,0,0|1,0,1]=4 21820 B13R0.202 CC[C@H](C)COCCCCCC(C)C 7a_100011995859_100009816398 [0,2,0,0,0,0|1,0,1]=4 21821 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 34a_100000073216_100009816398 [0,2,0,0,0,0|1,0,0]=3 21822 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100000073216_100009816398 [0,2,0,0,0,0|1,0,0]=3 21823 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100009816381_100000033659 [0,2,0,0,0,0|1,0,0]=3 21824 B13R0.202 CC[C@H](C)COCCCCSC(=O)C 7a_100009816381_200010402107 [0,2,0,0,0,0|1,0,0]=3 21825 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [0,2,0,0,0,0|1,0,0]=3 21826 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [0,2,0,0,0,0|1,0,0]=3 21827 B13R0.202 CC[C@H](C)CSCCCCCC(C)C 62a_100000210682_100009816398 [0,2,0,0,0,0|1,0,1]=4 21828 B13R0.202 CC[C@H](C)CSCCCCCC(C)C 62a_100009816398_100000210682 [0,2,0,0,0,0|1,0,1]=4 21829 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100000033659_100009816398 [0,2,0,0,0,0|1,0,0]=3 21830 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100009816398_100000033659 [0,2,0,0,0,0|1,0,0]=3 21831 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_100009816398_200010402107 [0,2,0,0,0,0|1,0,0]=3 21832 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_200010402107_100009816398 [0,2,0,0,0,0|1,0,0]=3 21833 B13R0.202 CC[C@H](C)CSCOCCOC(=O)C 62a_100000076355_100009816398 [0,2,0,0,0,0|2,0,0]=4 21834 B13R0.202 CC[C@H](C)CSCOCCOC(=O)C 62a_100009816398_100000076355 [0,2,0,0,0,0|2,0,0]=4 21835 B13R0.202 CN(C)CCCCCCNC(=O)CO 240690a_200011233508_100000210174 [0,2,0,0,0,0|2,0,0]=4 21836 B13R0.202 CNC(=O)CCCNCCCC(=O)C 34a_100000740002_100000685027 [0,2,0,0,0,0|1,0,1]=4 21837 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_100000740002_100011214892 [0,2,0,0,0,0|1,0,0]=3 21838 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_200000737386_100000741757 [0,2,0,0,0,0|1,0,0]=3 21839 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_100000740002_100011214892 [0,2,0,0,0,0|1,0,0]=3 21840 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_200000737386_100000741757 [0,2,0,0,0,0|1,0,0]=3 21841 B13R0.202 CNC(=O)CCCNCCCC(C)O 2230a_100000740002_200000718107 [0,2,0,0,0,0|1,0,0]=3 21842 B13R0.202 CNC(=O)CCCNCCCC(C)O 34a_100000740002_200000718107 [0,2,0,0,0,0|1,0,0]=3 21843 B13R0.202 CNC(=O)CCCNCCCS(=O)C 2230a_200000753449_100000741757 [0,2,0,0,0,0|2,0,0]=4 21844 B13R0.202 CNC(=O)CCCNCCOC(C)C 2230a_100000701111_100000741757 [0,2,0,0,0,0|2,0,0]=4 21845 B13R0.202 CNC(=O)CCCNCCOC(C)C 2230a_100000740002_100000211751 [0,2,0,0,0,0|2,0,0]=4 21846 B13R0.202 CNC(=O)CCCNCCOC(C)C 34a_100000701111_100000741757 [0,2,0,0,0,0|2,0,0]=4 21847 B13R0.202 CNC(=O)CCCNCCOC(C)C 34a_100000740002_100000211751 [0,2,0,0,0,0|2,0,0]=4 21848 B13R0.202 CNC(=O)CCCNCCSC(C)C 2230a_100000731138_100000741757 [0,2,0,0,0,0|2,0,0]=4 21849 B13R0.202 CNC(=O)CCCNCCSC(C)C 2230a_100000740002_100000730970 [0,2,0,0,0,0|2,0,0]=4 21850 B13R0.202 CNC(=O)CCCNCCSC(C)C 34a_100000731138_100000741757 [0,2,0,0,0,0|2,0,0]=4 21851 B13R0.202 CNC(=O)CCCNCCSC(C)C 34a_100000740002_100000730970 [0,2,0,0,0,0|2,0,0]=4 21852 B13R0.202 CNC(=O)CCCOCCCC(=O)C 34a_100000759063_100000741757 [0,2,0,0,0,0|1,0,1]=4 21853 B13R0.202 CNC(=O)CCCOCCCC(=O)C 7a_100000759063_100000741757 [0,2,0,0,0,0|1,0,1]=4 21854 B13R0.202 CNC(=O)CCCOCCCC(C)C 34a_100000210774_100000741757 [0,2,0,0,0,0|1,0,0]=3 21855 B13R0.202 CNC(=O)CCCOCCCC(C)C 7a_100000210774_100000741757 [0,2,0,0,0,0|1,0,0]=3 21856 B13R0.202 CNC(=O)CCCOCCNC(C)C 34a_100000224655_100000741757 [0,2,0,0,0,0|2,0,0]=4 21857 B13R0.202 CNC(=O)CCCOCCOC(C)C 34a_100000211219_100000741757 [0,2,0,0,0,0|2,0,0]=4 21858 B13R0.202 CNC(=O)CCCOCCOC(C)C 7a_100000211219_100000741757 [0,2,0,0,0,0|2,0,0]=4 21859 B13R0.202 CNC(=O)CCCOCCSC(C)C 34a_200011212901_100000741757 [0,2,0,0,0,0|2,0,0]=4 21860 B13R0.202 CNC(=O)CCCOCCSC(C)C 7a_200011212901_100000741757 [0,2,0,0,0,0|2,0,0]=4 21861 B13R0.202 CNC(=O)CCCSCCCC(=O)C 62a_100000741757_100011215641 [0,2,0,0,0,0|1,0,1]=4 21862 B13R0.202 CNC(=O)CCCSCCCC(=O)C 62a_100011215641_100000741757 [0,2,0,0,0,0|1,0,1]=4 21863 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100000741757_100011214892 [0,2,0,0,0,0|1,0,0]=3 21864 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100011214892_100000741757 [0,2,0,0,0,0|1,0,0]=3 21865 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_100000741757_200000718107 [0,2,0,0,0,0|1,0,0]=3 21866 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_200000718107_100000741757 [0,2,0,0,0,0|1,0,0]=3 21867 B13R0.202 CNC(=O)CCCSCCCN(C)C 62a_100000741757_100000757444 [0,2,0,0,0,0|2,0,0]=4 21868 B13R0.202 CNC(=O)CCCSCCOC(C)C 62a_100000211751_100000741757 [0,2,0,0,0,0|2,0,0]=4 21869 B13R0.202 CNC(=O)CCCSCCOC(C)C 62a_100000741757_100000211751 [0,2,0,0,0,0|2,0,0]=4 21870 B13R0.202 CNC(=O)CCCSCCSC(C)C 62a_100000730970_100000741757 [0,2,0,0,0,0|2,0,0]=4 21871 B13R0.202 CNC(=O)CCCSCCSC(C)C 62a_100000741757_100000730970 [0,2,0,0,0,0|2,0,0]=4 21872 B13R0.202 CNC(=O)CCNCCCCC(=O)C 34a_100000738227_100009817362 [0,2,0,0,0,0|1,0,1]=4 21873 B13R0.202 CNC(=O)CCNCCCCC(C)C 2230a_100000738227_100011216152 [0,2,0,0,0,0|1,0,0]=3 21874 B13R0.202 CNC(=O)CCNCCCCC(C)C 34a_100000738227_100011216152 [0,2,0,0,0,0|1,0,0]=3 21875 B13R0.202 CNC(=O)CCNCCCOC(C)C 2230a_100000737246_100000737683 [0,2,0,0,0,0|2,0,0]=4 21876 B13R0.202 CNC(=O)CCNCCCOC(C)C 34a_100000737246_100012179268 [0,2,0,0,0,0|2,0,0]=4 21877 B13R0.202 CNC(=O)CCOCCCCC(=O)C 34a_100000754576_100009817362 [0,2,0,0,0,0|1,0,1]=4 21878 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100000754576_100011216152 [0,2,0,0,0,0|1,0,0]=3 21879 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100011214890_100012179268 [0,2,0,0,0,0|1,0,0]=3 21880 B13R0.202 CNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737683 [0,2,0,0,0,0|1,0,0]=3 21881 B13R0.202 CNC(=O)CCOCCCNC(C)C 34a_100000182298_100012179268 [0,2,0,0,0,0|2,0,0]=4 21882 B13R0.202 CNC(=O)CCOCCNCC(C)C 34a_100015185251_100012179268 [0,2,0,0,0,0|2,0,0]=4 21883 B13R0.202 CNC(=O)CCOCCOCC(C)C 34a_100000703358_100012179268 [0,2,0,0,0,0|2,0,0]=4 21884 B13R0.202 CNC(=O)CCOCCOCC(C)C 7a_100000703358_100000737683 [0,2,0,0,0,0|2,0,0]=4 21885 B13R0.202 CNC(=O)CCOCCSCC(C)C 34a_200000230437_100012179268 [0,2,0,0,0,0|2,0,0]=4 21886 B13R0.202 CNC(=O)CCOCCSCC(C)C 7a_200000230437_100000737683 [0,2,0,0,0,0|2,0,0]=4 21887 B13R0.202 CNC(=O)CCSCCCCC(=O)C 62a_100000735457_100000737683 [0,2,0,0,0,0|1,0,1]=4 21888 B13R0.202 CNC(=O)CCSCCCCC(=O)C 62a_100000737683_100000735457 [0,2,0,0,0,0|1,0,1]=4 21889 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100000737683_100011216152 [0,2,0,0,0,0|1,0,0]=3 21890 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737683 [0,2,0,0,0,0|1,0,0]=3 21891 B13R0.202 CNC(=O)CCSCCCCN(C)C 62a_100000737683_100000690147 [0,2,0,0,0,0|2,0,0]=4 21892 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100000693194_100000210682 [0,2,0,0,0,0|1,0,0]=3 21893 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183359 [0,2,0,0,0,0|1,0,0]=3 21894 B13R0.202 CNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183359 [0,2,0,0,0,0|1,0,0]=3 21895 B13R0.202 CNC(=O)CNCCCOCC(C)C 2230a_100000205972_100000183359 [0,2,0,0,0,0|2,0,0]=4 21896 B13R0.202 CNC(=O)CNCCCOCC(C)C 34a_100000205972_100000183359 [0,2,0,0,0,0|2,0,0]=4 21897 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100000750040_100000210682 [0,2,0,0,0,0|1,0,0]=3 21898 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100011995859_100000183359 [0,2,0,0,0,0|1,0,0]=3 21899 B13R0.202 CNC(=O)COCCCCCC(C)C 7a_100011995859_100000183359 [0,2,0,0,0,0|1,0,0]=3 21900 B13R0.202 CNC(=O)COCCCCNC(C)C 34a_100011521146_100000183359 [0,2,0,0,0,0|2,0,0]=4 21901 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000183359_100000210682 [0,2,0,0,0,0|1,0,0]=3 21902 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183359 [0,2,0,0,0,0|1,0,0]=3 21903 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100000211014_106832991635 [0,2,0,0,0,0|1,0,0]=3 21904 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100102657272_100000211014 [0,2,0,0,0,0|1,0,0]=3 21905 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100000211014_100102657272 [0,2,0,0,0,0|1,0,0]=3 21906 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100102657272_100000211014 [0,2,0,0,0,0|1,0,0]=3 21907 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_100000211014_100102657272 [0,2,0,0,0,0|1,0,0]=3 21908 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_106832991638_100000211014 [0,2,0,0,0,0|1,0,0]=3 21909 B13R0.202 CNC(=O)NCCCCCCN(C)C 2708a_100102657272_200011233508 [0,2,0,0,0,0|2,0,0]=4 21910 B13R0.202 CNC(=O)NCCCCCCN(C)C 2708a_200011233508_106832991635 [0,2,0,0,0,0|2,0,0]=4 21911 B13R0.202 CNC(=O)NCCCCCCN(C)C 273464a_100102657272_200011233508 [0,2,0,0,0,0|2,0,0]=4 21912 B13R0.202 CNC(=O)NCCCCCCN(C)C 273464a_200011233508_100102657272 [0,2,0,0,0,0|2,0,0]=4 21913 B13R0.202 CNC(=O)NCCCCCCN(C)C 512a_106832991638_200011233508 [0,2,0,0,0,0|2,0,0]=4 21914 B13R0.202 CNC(=O)NCCCCCCN(C)C 512a_200011233508_100102657272 [0,2,0,0,0,0|2,0,0]=4 21915 B13R0.202 CNC(=O)NCCNCCCC(C)C 34a_100015205895_100011214892 [0,2,0,0,0,0|2,0,0]=4 21916 B13R0.202 CNC(=O)NCCNCCCC(C)O 34a_100015205895_200000718107 [0,2,0,0,0,0|2,0,0]=4 21917 B13R0.202 CNC(=O)OCCNCCCC(C)C 34a_200000737386_200011997002 [0,2,0,0,0,0|2,0,0]=4 21918 B13R0.202 CNC(=O)OCCOCCCC(C)C 34a_100000210774_200011997002 [0,2,0,0,0,0|2,0,0]=4 21919 B13R0.202 CNC(=O)OCCOCCCC(C)C 7a_100000210774_200011997002 [0,2,0,0,0,0|2,0,0]=4 21920 B13R0.202 CNC(=O)OCCSCCCC(C)C 62a_100011214892_200011997002 [0,2,0,0,0,0|2,0,0]=4 21921 B13R0.202 CNC(=O)OCCSCCCC(C)C 62a_200011997002_100011214892 [0,2,0,0,0,0|2,0,0]=4 21922 B13R0.202 CNC(=O)OCCSCCCC(C)O 62a_200000718107_200011997002 [0,2,0,0,0,0|2,0,0]=4 21923 B13R0.202 CNC(=O)OCCSCCCC(C)O 62a_200011997002_200000718107 [0,2,0,0,0,0|2,0,0]=4 21924 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,2,0,0,0,0|0,0,1]=3 21925 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,2,0,0,0,0|0,0,1]=3 21926 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,2,0,0,0,0|0,0,1]=3 21927 B13R0.202 COC(=O)CCCCCCCN(C)C 2230a_100102631434_100010004213 [0,2,0,0,0,0|1,0,0]=3 21928 B13R0.202 COC(=O)CCCCCCCN(C)C 269982a_100102631434_100010004213 [0,2,0,0,0,0|1,0,0]=3 21929 B13R0.202 COC(=O)CCCCCCNC(=O)C 188690a_100000739044_100015343762 [0,2,0,0,0,0|1,0,1]=4 21930 B13R0.202 COC(=O)CCCCCCNC(C)C 2230a_100138425928_100009815986 [0,2,0,0,0,0|1,0,0]=3 21931 B13R0.202 COC(=O)CCCCCCNC(C)C 34a_100138425928_100009815986 [0,2,0,0,0,0|1,0,0]=3 21932 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100000212225_100009815986 [0,2,0,0,0,0|1,0,0]=3 21933 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100009863599_100000210206 [0,2,0,0,0,0|1,0,0]=3 21934 B13R0.202 COC(=O)CCCCCCOC(C)C 7a_100009863599_100000210206 [0,2,0,0,0,0|1,0,0]=3 21935 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100000210206_100009815986 [0,2,0,0,0,0|1,0,0]=3 21936 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100009815986_100000210206 [0,2,0,0,0,0|1,0,0]=3 21937 B13R0.202 COC(=O)CCCCCNCC(C)C 2230a_100000210953_100009816466 [0,2,0,0,0,0|1,0,0]=3 21938 B13R0.202 COC(=O)CCCCCNCC(C)C 34a_100000210953_100009816466 [0,2,0,0,0,0|1,0,0]=3 21939 B13R0.202 COC(=O)CCCCCNCC(C)O 2230a_100000210904_100009816466 [0,2,0,0,0,0|1,0,0]=3 21940 B13R0.202 COC(=O)CCCCCNCC(C)O 34a_100000210904_100009816466 [0,2,0,0,0,0|1,0,0]=3 21941 B13R0.202 COC(=O)CCCCCNCC(F)F 34a_100000765723_100009816466 [0,2,0,0,0,0|2,0,0]=4 21942 B13R0.202 COC(=O)CCCCCOCC(=O)C 34a_100000211253_100009816466 [0,2,0,0,0,0|1,0,1]=4 21943 B13R0.202 COC(=O)CCCCCOCC(C)Br 34a_100012180447_100009816466 [0,2,0,0,0,0|1,0,0]=3 21944 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000074720_100000210624 [0,2,0,0,0,0|1,0,0]=3 21945 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000210257_100009816466 [0,2,0,0,0,0|1,0,0]=3 21946 B13R0.202 COC(=O)CCCCCOCC(C)C 7a_100000074720_100000210760 [0,2,0,0,0,0|1,0,0]=3 21947 B13R0.202 COC(=O)CCCCCOCC(C)F 34a_100015925927_100009816466 [0,2,0,0,0,0|1,0,0]=3 21948 B13R0.202 COC(=O)CCCCCOCC(C)O 34a_100000074720_100011218427 [0,2,0,0,0,0|1,0,0]=3 21949 B13R0.202 COC(=O)CCCCCOCC(C)O 7a_100000074720_100011218427 [0,2,0,0,0,0|1,0,0]=3 21950 B13R0.202 COC(=O)CCCCCOCC(F)F 34a_100000074720_100011934356 [0,2,0,0,0,0|2,0,0]=4 21951 B13R0.202 COC(=O)CCCCCOCC(F)F 34a_100000743014_100009816466 [0,2,0,0,0,0|2,0,0]=4 21952 B13R0.202 COC(=O)CCCCCOCC(F)F 7a_100000074720_100011934356 [0,2,0,0,0,0|2,0,0]=4 21953 B13R0.202 COC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100009816466 [0,2,0,0,0,0|1,0,0]=3 21954 B13R0.202 COC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100009816466 [0,2,0,0,0,0|1,0,0]=3 21955 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 34a_100000074720_100009817552 [0,2,0,0,0,0|1,0,0]=3 21956 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 7a_100000074720_100009817552 [0,2,0,0,0,0|1,0,0]=3 21957 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100000210624_100009816466 [0,2,0,0,0,0|1,0,0]=3 21958 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100009816466_100000210760 [0,2,0,0,0,0|1,0,0]=3 21959 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100009816466_100011218427 [0,2,0,0,0,0|1,0,0]=3 21960 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100011218427_100009816466 [0,2,0,0,0,0|1,0,0]=3 21961 B13R0.202 COC(=O)CCCCCSCC(F)F 62a_100009816466_100011934356 [0,2,0,0,0,0|2,0,0]=4 21962 B13R0.202 COC(=O)CCCCCSCC(F)F 62a_100011934356_100009816466 [0,2,0,0,0,0|2,0,0]=4 21963 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009816466_100009817552 [0,2,0,0,0,0|1,0,0]=3 21964 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100009816466 [0,2,0,0,0,0|1,0,0]=3 21965 B13R0.202 COC(=O)CCCCNCCC(C)O 2230a_200000755665_100000204269 [0,2,0,0,0,0|1,0,0]=3 21966 B13R0.202 COC(=O)CCCCOCCC(=O)C 34a_100000759926_100000204269 [0,2,0,0,0,0|1,0,1]=4 21967 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000059025_100000053229 [0,2,0,0,0,0|1,0,1]=4 21968 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000759926_100000204269 [0,2,0,0,0,0|1,0,1]=4 21969 B13R0.202 COC(=O)CCCCOCCC(C)Br 34a_100009893172_100000204269 [0,2,0,0,0,0|1,0,0]=3 21970 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000059025_100000210312 [0,2,0,0,0,0|1,0,0]=3 21971 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000210254_100000204269 [0,2,0,0,0,0|1,0,0]=3 21972 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000059025_100000210626 [0,2,0,0,0,0|1,0,0]=3 21973 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000210254_100000204269 [0,2,0,0,0,0|1,0,0]=3 21974 B13R0.202 COC(=O)CCCCOCCC(C)O 34a_100000059025_100012276601 [0,2,0,0,0,0|1,0,0]=3 21975 B13R0.202 COC(=O)CCCCOCCC(C)O 7a_100000059025_100012276601 [0,2,0,0,0,0|1,0,0]=3 21976 B13R0.202 COC(=O)CCCCOCCC(F)F 34a_100103093639_100000204269 [0,2,0,0,0,0|2,0,0]=4 21977 B13R0.202 COC(=O)CCCCOCCN(C)C 7a_100000059025_100000755713 [0,2,0,0,0,0|2,0,0]=4 21978 B13R0.202 COC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000204269 [0,2,0,0,0,0|1,0,0]=3 21979 B13R0.202 COC(=O)CCCCOCOC(C)C 34a_100000059025_100000709892 [0,2,0,0,0,0|2,0,0]=4 21980 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000053229_100000204269 [0,2,0,0,0,0|1,0,1]=4 21981 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000204269_100000053229 [0,2,0,0,0,0|1,0,1]=4 21982 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000204269_100000210312 [0,2,0,0,0,0|1,0,0]=3 21983 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000210312_100000204269 [0,2,0,0,0,0|1,0,0]=3 21984 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100000204269_100012276601 [0,2,0,0,0,0|1,0,0]=3 21985 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100012276601_100000204269 [0,2,0,0,0,0|1,0,0]=3 21986 B13R0.202 COC(=O)CCCCSCCN(C)C 62a_100000204269_100000755713 [0,2,0,0,0,0|2,0,0]=4 21987 B13R0.202 COC(=O)CCCCSCOC(C)C 62a_100000204269_100000709892 [0,2,0,0,0,0|2,0,0]=4 21988 B13R0.202 COC(=O)CCCCSCOC(C)C 62a_100000709892_100000204269 [0,2,0,0,0,0|2,0,0]=4 21989 B13R0.202 COC(=O)CCCNCCCC(C)C 2230a_200000737386_100011218270 [0,2,0,0,0,0|1,0,0]=3 21990 B13R0.202 COC(=O)CCCNCCCC(C)C 34a_200000737386_100000742333 [0,2,0,0,0,0|1,0,0]=3 21991 B13R0.202 COC(=O)CCCNCCCS(=O)C 2230a_200000753449_100011218270 [0,2,0,0,0,0|2,0,0]=4 21992 B13R0.202 COC(=O)CCCNCCOC(C)C 2230a_100000701111_100011218270 [0,2,0,0,0,0|2,0,0]=4 21993 B13R0.202 COC(=O)CCCNCCOC(C)C 34a_100000701111_100000742333 [0,2,0,0,0,0|2,0,0]=4 21994 B13R0.202 COC(=O)CCCNCCSC(C)C 2230a_100000731138_100011218270 [0,2,0,0,0,0|2,0,0]=4 21995 B13R0.202 COC(=O)CCCNCCSC(C)C 34a_100000731138_100000742333 [0,2,0,0,0,0|2,0,0]=4 21996 B13R0.202 COC(=O)CCCOCCCC(=O)C 34a_100000759063_100000742333 [0,2,0,0,0,0|1,0,1]=4 21997 B13R0.202 COC(=O)CCCOCCCC(=O)C 7a_100000759063_100011218270 [0,2,0,0,0,0|1,0,1]=4 21998 B13R0.202 COC(=O)CCCOCCCC(C)C 34a_100000210774_100000742333 [0,2,0,0,0,0|1,0,0]=3 21999 B13R0.202 COC(=O)CCCOCCCC(C)C 7a_100000210774_100011218270 [0,2,0,0,0,0|1,0,0]=3 22000 B13R0.202 COC(=O)CCCOCCNC(C)C 34a_100000224655_100000742333 [0,2,0,0,0,0|2,0,0]=4 22001 B13R0.202 COC(=O)CCCOCCOC(C)C 34a_100000211219_100000742333 [0,2,0,0,0,0|2,0,0]=4 22002 B13R0.202 COC(=O)CCCOCCOC(C)C 7a_100000211219_100011218270 [0,2,0,0,0,0|2,0,0]=4 22003 B13R0.202 COC(=O)CCCOCCSC(C)C 34a_200011212901_100000742333 [0,2,0,0,0,0|2,0,0]=4 22004 B13R0.202 COC(=O)CCCOCCSC(C)C 7a_200011212901_100011218270 [0,2,0,0,0,0|2,0,0]=4 22005 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011215641_100011218270 [0,2,0,0,0,0|1,0,1]=4 22006 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011218270_100011215641 [0,2,0,0,0,0|1,0,1]=4 22007 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011214892_100011218270 [0,2,0,0,0,0|1,0,0]=3 22008 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011218270_100011214892 [0,2,0,0,0,0|1,0,0]=3 22009 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [0,2,0,0,0,0|1,0,0]=3 22010 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [0,2,0,0,0,0|1,0,0]=3 22011 B13R0.202 COC(=O)CCCSCCCN(C)C 62a_100011218270_100000757444 [0,2,0,0,0,0|2,0,0]=4 22012 B13R0.202 COC(=O)CCCSCCOC(C)C 62a_100000211751_100011218270 [0,2,0,0,0,0|2,0,0]=4 22013 B13R0.202 COC(=O)CCCSCCOC(C)C 62a_100011218270_100000211751 [0,2,0,0,0,0|2,0,0]=4 22014 B13R0.202 COC(=O)CCCSCCSC(C)C 62a_100000730970_100011218270 [0,2,0,0,0,0|2,0,0]=4 22015 B13R0.202 COC(=O)CCCSCCSC(C)C 62a_100011218270_100000730970 [0,2,0,0,0,0|2,0,0]=4 22016 B13R0.202 COC(=O)CCNCCCOC(C)C 2230a_100000737246_100000204255 [0,2,0,0,0,0|2,0,0]=4 22017 B13R0.202 COC(=O)CCNCCCOC(C)C 34a_100000737246_100000742370 [0,2,0,0,0,0|2,0,0]=4 22018 B13R0.202 COC(=O)CCOCCCCC(C)C 34a_100011214890_100000742370 [0,2,0,0,0,0|1,0,0]=3 22019 B13R0.202 COC(=O)CCOCCCCC(C)C 7a_100011214890_100000204255 [0,2,0,0,0,0|1,0,0]=3 22020 B13R0.202 COC(=O)CCOCCCNC(C)C 34a_100000182298_100000742370 [0,2,0,0,0,0|2,0,0]=4 22021 B13R0.202 COC(=O)CCOCCNCC(C)C 34a_100015185251_100000742370 [0,2,0,0,0,0|2,0,0]=4 22022 B13R0.202 COC(=O)CCOCCOCC(C)C 34a_100000703358_100000742370 [0,2,0,0,0,0|2,0,0]=4 22023 B13R0.202 COC(=O)CCOCCOCC(C)C 7a_100000703358_100000204255 [0,2,0,0,0,0|2,0,0]=4 22024 B13R0.202 COC(=O)CCOCCSCC(C)C 34a_200000230437_100000742370 [0,2,0,0,0,0|2,0,0]=4 22025 B13R0.202 COC(=O)CCOCCSCC(C)C 7a_200000230437_100000204255 [0,2,0,0,0,0|2,0,0]=4 22026 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000204255_100000735457 [0,2,0,0,0,0|1,0,1]=4 22027 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000735457_100000204255 [0,2,0,0,0,0|1,0,1]=4 22028 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100000204255_100011216152 [0,2,0,0,0,0|1,0,0]=3 22029 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100011216152_100000204255 [0,2,0,0,0,0|1,0,0]=3 22030 B13R0.202 COC(=O)CCSCCCCN(C)C 62a_100000204255_100000690147 [0,2,0,0,0,0|2,0,0]=4 22031 B13R0.202 COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747449 [0,2,0,0,0,0|1,0,0]=3 22032 B13R0.202 COC(=O)CNCCCCCC(C)C 34a_100011290863_100000747449 [0,2,0,0,0,0|1,0,0]=3 22033 B13R0.202 COC(=O)CNCCCOCC(C)C 2230a_100000205972_100000747449 [0,2,0,0,0,0|2,0,0]=4 22034 B13R0.202 COC(=O)CNCCCOCC(C)C 34a_100000205972_100000747449 [0,2,0,0,0,0|2,0,0]=4 22035 B13R0.202 COC(=O)COCCCCCC(C)C 34a_100011995859_100000747449 [0,2,0,0,0,0|1,0,0]=3 22036 B13R0.202 COC(=O)COCCCCCC(C)C 7a_100011995859_100000747449 [0,2,0,0,0,0|1,0,0]=3 22037 B13R0.202 COC(=O)COCCCCNC(C)C 34a_100011521146_100000747449 [0,2,0,0,0,0|2,0,0]=4 22038 B13R0.202 COC(=O)COCCNCCC(C)O 2230a_200000755665_100000090808 [0,2,0,0,0,0|2,0,0]=4 22039 B13R0.202 COC(=O)COCCOCCC(C)Br 34a_100009893172_100000090808 [0,2,0,0,0,0|2,0,0]=4 22040 B13R0.202 COC(=O)COCCOCCC(C)C 34a_100000210254_100000090808 [0,2,0,0,0,0|2,0,0]=4 22041 B13R0.202 COC(=O)COCCOCCC(C)C 7a_100000210254_100000090808 [0,2,0,0,0,0|2,0,0]=4 22042 B13R0.202 COC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000090808 [0,2,0,0,0,0|2,0,0]=4 22043 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000090808_100000210312 [0,2,0,0,0,0|2,0,0]=4 22044 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000210312_100000090808 [0,2,0,0,0,0|2,0,0]=4 22045 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100000090808_100012276601 [0,2,0,0,0,0|2,0,0]=4 22046 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100012276601_100000090808 [0,2,0,0,0,0|2,0,0]=4 22047 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000210682_100000747449 [0,2,0,0,0,0|1,0,0]=3 22048 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000747449_100000210682 [0,2,0,0,0,0|1,0,0]=3 22049 B13R0.202 COC(=O)NCCOCCCC(C)C 34a_100000757965_100011214892 [0,2,0,0,0,0|2,0,0]=4 22050 B13R0.202 COC(=O)NCCOCCCC(C)O 34a_100000757965_200000718107 [0,2,0,0,0,0|2,0,0]=4 22051 B13R0.202 COC(=O)OCCOCCCC(C)C 34a_100010262106_100011214892 [0,2,0,0,0,0|2,0,0]=4 22052 B13R0.202 COC(=O)OCCOCCCC(C)O 34a_100010262106_200000718107 [0,2,0,0,0,0|2,0,0]=4 22053 B13R0.202 COC(=O)OCSCCCCC(C)C 62a_100011216152_100000139417 [0,2,0,0,0,0|2,0,0]=4 22054 B13R0.202 COC(C)CCOCCCCC(=O)C 7a_100000764861_100000735457 [0,2,0,0,0,0|1,0,0]=3 22055 B13R0.202 COC(C)CCOCCCOC(=O)C 7a_100000764861_100000042594 [0,2,0,0,0,0|2,0,0]=4 22056 B13R0.202 COC(C)CCOCCCSC(=O)C 7a_100000764861_100000038929 [0,2,0,0,0,0|2,0,0]=4 22057 B13R0.202 COC(C)COCCCCCC(=O)N 34a_100000690652_100009817443 [0,2,0,0,0,0|2,0,0]=4 22058 B13R0.202 COC(C)COCCCCOC(=O)C 34a_100000690652_100000033659 [0,2,0,0,0,0|2,0,0]=4 22059 B13R0.202 COC(C)COCCCCSC(=O)C 34a_100000690652_200010402107 [0,2,0,0,0,0|2,0,0]=4 22060 B13R0.202 COC(C)SCCCCCOC(=O)C 62a_100000033007_100009879195 [0,2,0,0,0,0|2,0,0]=4 22061 B13R0.202 COC(C)SCCCCCOC(=O)C 62a_100009879195_100000033007 [0,2,0,0,0,0|2,0,0]=4 22062 B13R0.202 CO[C@H](C)CNCCCCCC(=O)N 2230a_100020591295_100009817443 [0,2,0,0,0,0|2,0,0]=4 22063 B13R0.202 CO[C@H](C)CNCCCCSC(=O)C 2230a_100020591295_200010402107 [0,2,0,0,0,0|2,0,0]=4 22064 B13R0.202 C[C@@H](CN)CCCOCCCC(=O)N 34a_100160569302_100102525003 [0,2,0,0,0,0|2,0,0]=4 22065 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 34a_100000123541_100000059175 [0,2,0,0,0,0|2,0,0]=4 22066 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 7a_100000123541_100000059175 [0,2,0,0,0,0|2,0,0]=4 22067 B13R0.202 C[C@@H](CO)COCCCCCC(=O)[O-] 7a_100102619762_100000059175 [0,2,0,0,0,0|2,0,0]=4 22068 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100000059175_100009817443 [0,2,0,0,0,0|2,0,0]=4 22069 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100009817443_100000059175 [0,2,0,0,0,0|2,0,0]=4 22070 B13R0.202 NC(=O)CCCCCNC[C@@H](F)CO 34a_100015665980_100009817443 [0,2,0,0,0,0|2,0,0]=4 22071 B13R0.202 NC(=O)CCCCCNC[C@H](O)CO 2230a_100020644852_100009817443 [0,2,0,0,0,0|2,0,0]=4 22072 B13R0.202 NC(=O)CCCCCOCC(Cl)CCl 34a_100000033668_100009817443 [0,2,0,0,0,0|2,0,0]=4 22073 B13R0.202 NC(=O)CCCCCOCC(O)CO 34a_100000123541_100011219619 [0,2,0,0,0,0|2,0,0]=4 22074 B13R0.202 NC(=O)CCCCCOCC(O)CO 7a_100000123541_100011219619 [0,2,0,0,0,0|2,0,0]=4 22075 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CF 34a_100000123541_100015614560 [0,2,0,0,0,0|2,0,0]=4 22076 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CF 7a_100000123541_100015614560 [0,2,0,0,0,0|2,0,0]=4 22077 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 34a_100000123541_100009815848 [0,2,0,0,0,0|2,0,0]=4 22078 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 7a_100000123541_100009815848 [0,2,0,0,0,0|2,0,0]=4 22079 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100009817443_100011219619 [0,2,0,0,0,0|2,0,0]=4 22080 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100011219619_100009817443 [0,2,0,0,0,0|2,0,0]=4 22081 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CF 62a_100009817443_100015614560 [0,2,0,0,0,0|2,0,0]=4 22082 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CF 62a_100015614560_100009817443 [0,2,0,0,0,0|2,0,0]=4 22083 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009815848_100009817443 [0,2,0,0,0,0|2,0,0]=4 22084 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009817443_100009815848 [0,2,0,0,0,0|2,0,0]=4 22085 B13R0.202 NC[C@@H](F)COCCCCCC(=O)N 34a_100015665980_100009817443 [0,2,0,0,0,0|2,0,0]=4 22086 B13R0.202 O=C([O-])CCCCCOCC(O)CO 7a_100102619762_100011219619 [0,2,0,0,0,0|2,0,0]=4 22087 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CF 7a_100102619762_100015614560 [0,2,0,0,0,0|2,0,0]=4 22088 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CO 7a_100102619762_100009815848 [0,2,0,0,0,0|2,0,0]=4 22089 B13R0.2 C#CCC(=O)C/C=C/CCCCCC 1458a_100020681715_100000184674 [0,2,0,0,0,0|0,0,2]=4 22090 B13R0.2 C#CCC(=O)C=CCCCCCCC 1458a_200015332781_100000184674 [0,2,0,0,0,0|0,0,2]=4 22091 B13R0.2 C#CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000184674 [0,2,0,0,0,0|0,0,2]=4 22092 B13R0.2 C#CCC(=O)CCCC#CCCCC 1458a_100011220946_200000047210 [0,2,0,0,0,0|0,0,2]=4 22093 B13R0.2 C#CCC(=O)CCCCCCCC=C 1458a_100011216160_100000184674 [0,2,0,0,0,0|0,0,2]=4 22094 B13R0.2 C#CCC(=O)CCCCCCCC=C 1458a_100011220946_100012355270 [0,2,0,0,0,0|0,0,2]=4 22095 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,2,0,0,0,0|0,0,0]=2 22096 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,2,0,0,0,0|0,0,0]=2 22097 B13R0.2 C#CCC(=O)CCCCCCCCO 1458a_100011220946_100000033203 [0,2,0,0,0,0|1,0,0]=3 22098 B13R0.2 C#CCC(=O)COCCOCCCC 1458a_100011216887_100000184674 [0,2,0,0,0,0|2,0,0]=4 22099 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,2,0,0,0,0|1,0,0]=3 22100 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,2,0,0,0,0|1,0,0]=3 22101 B13R0.2 C#CCC(=O)NCCCOCCCC 1626a_200000211371_100011220946 [0,2,0,0,0,0|2,0,0]=4 22102 B13R0.2 C#CCC(=O)NCCCOCCCC 527a_200000211371_100011220946 [0,2,0,0,0,0|2,0,0]=4 22103 B13R0.2 C#CCCCCCCCC(=O)C#CC 1458a_100000763181_100153394163 [0,2,0,0,0,0|0,0,2]=4 22104 B13R0.2 C#CCCCCCCCC(=O)C=CC 1458a_100000210699_100153394163 [0,2,0,0,0,0|0,0,2]=4 22105 B13R0.2 C#CCCCCCCCC(=O)CC#C 1458a_100000087357_100000184674 [0,2,0,0,0,0|0,0,2]=4 22106 B13R0.2 C#CCCCCCCCC(=O)CC#C 1458a_100011220946_100153394163 [0,2,0,0,0,0|0,0,2]=4 22107 B13R0.2 C#CCCCCCCCC(=O)CC#N 1458a_100000087357_100011214920 [0,2,0,0,0,0|0,0,2]=4 22108 B13R0.2 C#CCCCCCCCC(=O)CC#N 1458a_100051588842_100153394163 [0,2,0,0,0,0|0,0,2]=4 22109 B13R0.2 C#CCCCCCCCC(=O)CC=C 1458a_100000087357_100000210623 [0,2,0,0,0,0|0,0,2]=4 22110 B13R0.2 C#CCCCCCCCC(=O)CC=C 1458a_100000210193_100153394163 [0,2,0,0,0,0|0,0,2]=4 22111 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,2,0,0,0,0|0,0,2]=4 22112 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,2,0,0,0,0|0,0,2]=4 22113 B13R0.2 C#CCCCCCCCC(=O)CCF 1458a_100000087357_100011217306 [0,2,0,0,0,0|0,0,2]=4 22114 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,2,0,0,0,0|0,0,2]=4 22115 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,2,0,0,0,0|0,0,2]=4 22116 B13R0.2 C#CCCCCCCCC(=O)COC 1458a_100000210968_100153394163 [0,2,0,0,0,0|0,0,2]=4 22117 B13R0.2 C#CCCCCCCCC(=O)CSC 1458a_100000184570_100153394163 [0,2,0,0,0,0|0,0,2]=4 22118 B13R0.2 C#CCCCCCCCC(=O)NCC 11a_100015525214_100000087357 [0,2,0,0,0,0|0,0,2]=4 22119 B13R0.2 C#CCCCCCCCC(=O)NCC 240690a_100015525214_100000087357 [0,2,0,0,0,0|0,0,2]=4 22120 B13R0.2 C#CCCCCCCCC(=O)NCC 527a_100015525214_100000087357 [0,2,0,0,0,0|0,0,2]=4 22121 B13R0.2 C#CCCCCCCCC(=O)NNC 22a_100016993582_100000087357 [0,2,0,0,0,0|0,0,2]=4 22122 B13R0.2 C#CCN(C)CCCCCCCCC 2230a_100000225692_100011214924 [0,2,0,0,0,0|2,0,0]=4 22123 B13R0.2 C#CCN(C)CCCCCCCCC 2230a_100000232482_100000038162 [0,2,0,0,0,0|2,0,0]=4 22124 B13R0.2 C#CCN(C)CCCCCCCCC 34a_100000225692_100011214924 [0,2,0,0,0,0|2,0,0]=4 22125 B13R0.2 C=CCC(=O)C/C=C/CCCCCC 1458a_100020681715_100000210623 [0,2,0,0,0,0|0,0,2]=4 22126 B13R0.2 C=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000210623 [0,2,0,0,0,0|0,0,2]=4 22127 B13R0.2 C=CCC(=O)CC/C=C/CCCCC 1458a_200015255902_100000210623 [0,2,0,0,0,0|0,0,2]=4 22128 B13R0.2 C=CCC(=O)CCCC#CCCCC 1458a_100000210193_200000047210 [0,2,0,0,0,0|0,0,2]=4 22129 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|0,0,0]=2 22130 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|0,0,0]=2 22131 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,2,0,0,0,0|1,0,0]=3 22132 B13R0.2 C=CCC(=O)COCCOCCCC 1458a_100011216887_100000210623 [0,2,0,0,0,0|2,0,0]=4 22133 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,2,0,0,0,0|1,0,0]=3 22134 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,2,0,0,0,0|1,0,0]=3 22135 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,2,0,0,0,0|1,0,0]=3 22136 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,2,0,0,0,0|1,0,0]=3 22137 B13R0.2 C=CCC(=O)NCCCCCCCO 240690a_100011996573_100000210193 [0,2,0,0,0,0|2,0,0]=4 22138 B13R0.2 C=CCC(=O)NCCCOCCCC 1626a_200000211371_100000210193 [0,2,0,0,0,0|2,0,0]=4 22139 B13R0.2 C=CCC(=O)NCCCOCCCC 240690a_200000211371_100000210193 [0,2,0,0,0,0|2,0,0]=4 22140 B13R0.2 C=CCC(=O)NCCCOCCCC 527a_200000211371_100000210193 [0,2,0,0,0,0|2,0,0]=4 22141 B13R0.2 C=CCCCCCCCC(=O)C#CC 1458a_100000763181_100012355270 [0,2,0,0,0,0|0,0,2]=4 22142 B13R0.2 C=CCCCCCCCC(=O)C=CC 1458a_100000210699_100012355270 [0,2,0,0,0,0|0,0,2]=4 22143 B13R0.2 C=CCCCCCCCC(=O)CC#N 1458a_100011216160_100011214920 [0,2,0,0,0,0|0,0,2]=4 22144 B13R0.2 C=CCCCCCCCC(=O)CC#N 1458a_100051588842_100012355270 [0,2,0,0,0,0|0,0,2]=4 22145 B13R0.2 C=CCCCCCCCC(=O)CC=C 1458a_100000210193_100012355270 [0,2,0,0,0,0|0,0,2]=4 22146 B13R0.2 C=CCCCCCCCC(=O)CC=C 1458a_100011216160_100000210623 [0,2,0,0,0,0|0,0,2]=4 22147 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,2,0,0,0,0|0,0,2]=4 22148 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,2,0,0,0,0|0,0,2]=4 22149 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,2,0,0,0,0|0,0,2]=4 22150 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|0,0,2]=4 22151 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|0,0,2]=4 22152 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,2,0,0,0,0|0,0,2]=4 22153 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,2,0,0,0,0|0,0,2]=4 22154 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,2,0,0,0,0|0,0,2]=4 22155 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,2,0,0,0,0|0,0,2]=4 22156 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,2,0,0,0,0|0,0,2]=4 22157 B13R0.2 C=CCCCCCCCC(=O)NNC 22a_100016993582_100011216160 [0,2,0,0,0,0|0,0,2]=4 22158 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [0,2,0,0,0,0|2,0,0]=4 22159 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [0,2,0,0,0,0|2,0,0]=4 22160 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [0,2,0,0,0,0|2,0,0]=4 22161 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [0,2,0,0,0,0|2,0,0]=4 22162 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,2,0,0,0,0|1,0,1]=4 22163 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,2,0,0,0,0|1,0,1]=4 22164 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,2,0,0,0,0|1,0,1]=4 22165 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,2,0,0,0,0|1,0,1]=4 22166 B13R0.2 CC#CC(=O)CCCC#CCCCC 1458a_100000763181_200000047210 [0,2,0,0,0,0|0,0,2]=4 22167 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,2,0,0,0,0|0,0,0]=2 22168 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,2,0,0,0,0|1,0,0]=3 22169 B13R0.2 CC=CC(=O)CCCC#CCCCC 1458a_100000210699_200000047210 [0,2,0,0,0,0|0,0,2]=4 22170 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,2,0,0,0,0|0,0,0]=2 22171 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,2,0,0,0,0|1,0,0]=3 22172 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 22173 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 22174 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 22175 B13R0.2 CC=CC(=O)NCCCCCCCO 240690a_100011996573_100000210699 [0,2,0,0,0,0|2,0,0]=4 22176 B13R0.2 CC=CC(=O)NCCCOCCCC 1626a_200000211371_100000210699 [0,2,0,0,0,0|2,0,0]=4 22177 B13R0.2 CC=CC(=O)NCCCOCCCC 240690a_200000211371_100000210699 [0,2,0,0,0,0|2,0,0]=4 22178 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|1,0,0]=3 22179 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,2,0,0,0,0|2,0,0]=4 22180 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,2,0,0,0,0|2,0,0]=4 22181 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,2,0,0,0,0|2,0,0]=4 22182 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,2,0,0,0,0|2,0,0]=4 22183 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,2,0,0,0,0|2,0,0]=4 22184 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,2,0,0,0,0|2,0,0]=4 22185 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,2,0,0,0,0|2,0,0]=4 22186 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,2,0,0,0,0|2,0,0]=4 22187 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,2,0,0,0,0|2,0,0]=4 22188 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,2,0,0,0,0|2,0,0]=4 22189 B13R0.2 CCCCC#CCCCC(=O)CC#N 1458a_100051588842_200000047210 [0,2,0,0,0,0|0,0,2]=4 22190 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,2,0,0,0,0|0,0,2]=4 22191 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,2,0,0,0,0|0,0,2]=4 22192 B13R0.2 CCCCC#CCCCC(=O)COC 1458a_100000210968_200000047210 [0,2,0,0,0,0|0,0,2]=4 22193 B13R0.2 CCCCC#CCCCC(=O)CSC 1458a_100000184570_200000047210 [0,2,0,0,0,0|0,0,2]=4 22194 B13R0.2 CCCCC/C=C/CCC(=O)CC#N 1458a_200015255902_100011214920 [0,2,0,0,0,0|0,0,2]=4 22195 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,2,0,0,0,0|0,0,2]=4 22196 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,2,0,0,0,0|0,0,2]=4 22197 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,2,0,0,0,0|0,0,2]=4 22198 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,2,0,0,0,0|0,0,2]=4 22199 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,2,0,0,0,0|0,0,2]=4 22200 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,2,0,0,0,0|0,0,2]=4 22201 B13R0.2 CCCCC/C=C/CCC(=O)NNC 22a_100016993582_200015255902 [0,2,0,0,0,0|0,0,2]=4 22202 B13R0.2 CCCCCC/C=C/CC(=O)CC#N 1458a_100020681715_100011214920 [0,2,0,0,0,0|0,0,2]=4 22203 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,2,0,0,0,0|0,0,2]=4 22204 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,2,0,0,0,0|0,0,2]=4 22205 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|0,0,2]=4 22206 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,2,0,0,0,0|0,0,2]=4 22207 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,2,0,0,0,0|0,0,2]=4 22208 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,2,0,0,0,0|0,0,2]=4 22209 B13R0.2 CCCCCCCC=CC(=O)CC#N 1458a_200015332781_100011214920 [0,2,0,0,0,0|0,0,2]=4 22210 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,2,0,0,0,0|0,0,2]=4 22211 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,2,0,0,0,0|0,0,2]=4 22212 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|0,0,2]=4 22213 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,2,0,0,0,0|0,0,2]=4 22214 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,2,0,0,0,0|0,0,2]=4 22215 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,2,0,0,0,0|0,0,2]=4 22216 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,2,0,0,0,0|0,0,1]=3 22217 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,2,0,0,0,0|0,0,1]=3 22218 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,2,0,0,0,0|0,0,1]=3 22219 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,2,0,0,0,0|0,0,0]=2 22220 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,2,0,0,0,0|0,0,0]=2 22221 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,2,0,0,0,0|0,0,0]=2 22222 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,2,0,0,0,0|0,0,0]=2 22223 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,2,0,0,0,0|0,0,0]=2 22224 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,0]=2 22225 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,0]=2 22226 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,0]=2 22227 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,2,0,0,0,0|0,0,0]=2 22228 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,2,0,0,0,0|0,0,0]=2 22229 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,2,0,0,0,0|0,0,0]=2 22230 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,2,0,0,0,0|0,0,0]=2 22231 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,2,0,0,0,0|0,0,0]=2 22232 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [0,2,0,0,0,0|1,0,1]=4 22233 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [0,2,0,0,0,0|1,0,1]=4 22234 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,2,0,0,0,0|0,0,2]=4 22235 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,2,0,0,0,0|0,0,2]=4 22236 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,2,0,0,0,0|0,0,2]=4 22237 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,2,0,0,0,0|0,0,2]=4 22238 B13R0.2 CCCCCCCCCN(C)CC#N 2230a_100000232482_100011215382 [0,2,0,0,0,0|2,0,0]=4 22239 B13R0.2 CCCCCCCCCN(C)CC#N 2230a_100000748184_100011214924 [0,2,0,0,0,0|2,0,0]=4 22240 B13R0.2 CCCCCCCCCN(C)CC#N 269982a_100000232482_100011214920 [0,2,0,0,0,0|2,0,0]=4 22241 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,2,0,0,0,0|1,0,0]=3 22242 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,2,0,0,0,0|1,0,0]=3 22243 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [0,2,0,0,0,0|2,0,0]=4 22244 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [0,2,0,0,0,0|2,0,0]=4 22245 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [0,2,0,0,0,0|2,0,0]=4 22246 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [0,2,0,0,0,0|2,0,0]=4 22247 B13R0.2 CCCCCCCCCN(C)CCF 2230a_100000232482_100011217306 [0,2,0,0,0,0|2,0,0]=4 22248 B13R0.2 CCCCCCCCCN(C)CCF 269982a_100000232482_100011217306 [0,2,0,0,0,0|2,0,0]=4 22249 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,2,0,0,0,0|1,0,1]=4 22250 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,2,0,0,0,0|1,0,1]=4 22251 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,2,0,0,0,0|1,0,1]=4 22252 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,2,0,0,0,0|1,0,1]=4 22253 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,2,0,0,0,0|1,0,1]=4 22254 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,2,0,0,0,0|1,0,1]=4 22255 B13R0.2 CCCCCCCCCN(C)CSC 2230a_100000232482_100011218213 [0,2,0,0,0,0|1,1,0]=4 22256 B13R0.2 CCCCCCCCCN(C)CSC 269982a_100000232482_100011218213 [0,2,0,0,0,0|1,1,0]=4 22257 B13R0.2 CCCCCCCCNC(=O)C=CBr 1626a_100000229939_100016273825 [0,2,0,0,0,0|1,0,1]=4 22258 B13R0.2 CCCCCCCCNC(=O)C=CBr 240690a_100000229939_100016273825 [0,2,0,0,0,0|1,0,1]=4 22259 B13R0.2 CCCCCCCCNC(=O)C=CCl 11a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 22260 B13R0.2 CCCCCCCCNC(=O)C=CCl 1626a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 22261 B13R0.2 CCCCCCCCNC(=O)C=CCl 240690a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 22262 B13R0.2 CCCCCCCCNC(=O)C=CI 1626a_100000229939_100016256311 [0,2,0,0,0,0|1,0,1]=4 22263 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,2,0,0,0,0|1,0,0]=3 22264 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,2,0,0,0,0|1,0,0]=3 22265 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 22266 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 22267 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 22268 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 22269 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,2,0,0,0,0|1,0,0]=3 22270 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 22271 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 22272 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 22273 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 22274 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,2,0,0,0,0|1,0,0]=3 22275 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,2,0,0,0,0|1,0,0]=3 22276 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,2,0,0,0,0|1,0,0]=3 22277 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,2,0,0,0,0|1,0,0]=3 22278 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 22279 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 22280 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 22281 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 22282 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 22283 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 22284 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,2,0,0,0,0|1,0,0]=3 22285 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,2,0,0,0,0|1,0,0]=3 22286 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,2,0,0,0,0|1,0,0]=3 22287 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,2,0,0,0,0|1,0,0]=3 22288 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,2,0,0,0,0|1,0,0]=3 22289 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,2,0,0,0,0|1,0,0]=3 22290 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,2,0,0,0,0|1,0,0]=3 22291 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|1,0,0]=3 22292 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,2,0,0,0,0|1,0,0]=3 22293 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,2,0,0,0,0|1,0,0]=3 22294 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,2,0,0,0,0|1,0,0]=3 22295 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,2,0,0,0,0|1,0,0]=3 22296 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,2,0,0,0,0|1,0,0]=3 22297 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|1,0,0]=3 22298 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|1,0,0]=3 22299 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,2,0,0,0,0|1,0,0]=3 22300 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,2,0,0,0,0|1,0,0]=3 22301 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,2,0,0,0,0|1,0,0]=3 22302 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,2,0,0,0,0|1,0,0]=3 22303 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,2,0,0,0,0|1,0,0]=3 22304 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,2,0,0,0,0|1,0,0]=3 22305 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|1,0,0]=3 22306 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|1,0,0]=3 22307 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,2,0,0,0,0|1,0,0]=3 22308 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,2,0,0,0,0|1,0,0]=3 22309 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|1,0,0]=3 22310 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,2,0,0,0,0|2,0,0]=4 22311 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,2,0,0,0,0|1,0,0]=3 22312 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|1,0,0]=3 22313 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|1,0,0]=3 22314 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,2,0,0,0,0|2,0,0]=4 22315 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,2,0,0,0,0|1,0,0]=3 22316 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,2,0,0,0,0|1,0,0]=3 22317 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|1,0,0]=3 22318 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|1,0,0]=3 22319 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,2,0,0,0,0|2,0,0]=4 22320 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,2,0,0,0,0|2,0,0]=4 22321 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|1,0,0]=3 22322 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|1,0,0]=3 22323 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|1,0,0]=3 22324 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|1,0,0]=3 22325 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,2,0,0,0,0|2,0,0]=4 22326 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,2,0,0,0,0|2,0,0]=4 22327 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|1,0,0]=3 22328 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|1,0,0]=3 22329 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,2,0,0,0,0|2,0,0]=4 22330 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,2,0,0,0,0|1,0,0]=3 22331 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,2,0,0,0,0|1,0,0]=3 22332 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,2,0,0,0,0|2,0,0]=4 22333 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,2,0,0,0,0|2,0,0]=4 22334 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,2,0,0,0,0|1,0,0]=3 22335 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,2,0,0,0,0|1,0,0]=3 22336 B13R0.2 CCCCOCCCNC(=O)CC#N 1626a_200000211371_100051588842 [0,2,0,0,0,0|2,0,0]=4 22337 B13R0.2 CCCCOCCCNC(=O)CC#N 240690a_200000211371_100051588842 [0,2,0,0,0,0|2,0,0]=4 22338 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 22339 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 22340 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 22341 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,2,0,0,0,0|2,0,0]=4 22342 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 22343 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 22344 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 22345 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 22346 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 22347 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 22348 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 22349 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 22350 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 22351 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 22352 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 22353 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 22354 B13R0.2 CCCCOCCCNC(=O)NNC 273464a_200000211371_100016993582 [0,2,0,0,0,0|2,0,0]=4 22355 B13R0.2 CCCCOCCCNC(=O)NNC 512a_100016993582_200000211371 [0,2,0,0,0,0|2,0,0]=4 22356 B13R0.2 CCCCOCCCNC(=O)NNC 512a_200000211371_100016993582 [0,2,0,0,0,0|2,0,0]=4 22357 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [0,2,0,0,0,0|2,0,0]=4 22358 B13R0.2 CCCCOCCOCC(=O)CC#N 1458a_100011216887_100011214920 [0,2,0,0,0,0|2,0,0]=4 22359 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,2,0,0,0,0|2,0,0]=4 22360 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,2,0,0,0,0|2,0,0]=4 22361 B13R0.2 CCCCOCCOCC(=O)CCF 1458a_100011216887_100011217306 [0,2,0,0,0,0|2,0,0]=4 22362 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,2,0,0,0,0|2,0,0]=4 22363 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,2,0,0,0,0|2,0,0]=4 22364 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,2,0,0,0,0|2,0,0]=4 22365 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,2,0,0,0,0|2,0,0]=4 22366 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,2,0,0,0,0|2,0,0]=4 22367 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,2,0,0,0,0|2,0,0]=4 22368 B13R0.2 CCCCOCCOCC(=O)NCO 34a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 22369 B13R0.2 CCCCOCCOCC(=O)NCO 7a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 22370 B13R0.2 CCCCOCCOCC(=O)NNC 22a_100016993582_100011216887 [0,2,0,0,0,0|2,0,0]=4 22371 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,2,0,0,0,0|2,0,0]=4 22372 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,2,0,0,0,0|2,0,0]=4 22373 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,2,0,0,0,0|2,0,0]=4 22374 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,2,0,0,0,0|2,0,0]=4 22375 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,2,0,0,0,0|2,0,0]=4 22376 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,2,0,0,0,0|2,0,0]=4 22377 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [0,2,0,0,0,0|2,0,0]=4 22378 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [0,2,0,0,0,0|2,0,0]=4 22379 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000185155_100000743108 [0,2,0,0,0,0|2,0,0]=4 22380 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000743108_100000185155 [0,2,0,0,0,0|2,0,0]=4 22381 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,2,0,0,0,0|2,0,0]=4 22382 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,2,0,0,0,0|2,0,0]=4 22383 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,2,0,0,0,0|2,0,0]=4 22384 B13R0.2 CCCCOCNCCC(=O)NCC 34a_100025743525_100011995733 [0,2,0,0,0,0|2,0,0]=4 22385 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100000737597_100011995733 [0,2,0,0,0,0|2,0,0]=4 22386 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100011995733_100000737597 [0,2,0,0,0,0|2,0,0]=4 22387 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,2,0,0,0,0|2,0,0]=4 22388 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,2,0,0,0,0|2,0,0]=4 22389 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,2,0,0,0,0|1,0,0]=3 22390 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,2,0,0,0,0|1,0,0]=3 22391 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,2,0,0,0,0|2,0,0]=4 22392 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [0,2,0,0,0,0|2,0,0]=4 22393 B13R0.2 CCCCSCCNCC(=O)NCO 2230a_100025743550_100000185155 [0,2,0,0,0,0|2,0,0]=4 22394 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,2,0,0,0,0|2,0,0]=4 22395 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,2,0,0,0,0|2,0,0]=4 22396 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,2,0,0,0,0|2,0,0]=4 22397 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,2,0,0,0,0|2,0,0]=4 22398 B13R0.2 CCCCSCCOCC(=O)NCO 34a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 22399 B13R0.2 CCCCSCCOCC(=O)NCO 7a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 22400 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,2,0,0,0,0|2,0,0]=4 22401 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,2,0,0,0,0|2,0,0]=4 22402 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,2,0,0,0,0|2,0,0]=4 22403 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,2,0,0,0,0|2,0,0]=4 22404 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,2,0,0,0,0|1,0,0]=3 22405 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,2,0,0,0,0|1,0,0]=3 22406 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,2,0,0,0,0|2,0,0]=4 22407 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [0,2,0,0,0,0|2,0,0]=4 22408 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [0,2,0,0,0,0|2,0,0]=4 22409 B13R0.2 CCCOCCCNCC(=O)NCO 2230a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 22410 B13R0.2 CCCOCCCNCC(=O)NCO 34a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 22411 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,2,0,0,0,0|2,0,0]=4 22412 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,2,0,0,0,0|2,0,0]=4 22413 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,2,0,0,0,0|2,0,0]=4 22414 B13R0.2 CCCOCCNCCC(=O)NCC 2230a_100161115042_100000737597 [0,2,0,0,0,0|2,0,0]=4 22415 B13R0.2 CCCOCCNCCC(=O)NCC 34a_100025743525_100011215938 [0,2,0,0,0,0|2,0,0]=4 22416 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,2,0,0,0,0|2,0,0]=4 22417 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,2,0,0,0,0|2,0,0]=4 22418 B13R0.2 CCCOCCOCCC(=O)NCC 7a_100000752267_100000737597 [0,2,0,0,0,0|2,0,0]=4 22419 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,2,0,0,0,0|2,0,0]=4 22420 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,2,0,0,0,0|2,0,0]=4 22421 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100000737597_100011215938 [0,2,0,0,0,0|2,0,0]=4 22422 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100011215938_100000737597 [0,2,0,0,0,0|2,0,0]=4 22423 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,2,0,0,0,0|2,0,0]=4 22424 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,2,0,0,0,0|2,0,0]=4 22425 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,2,0,0,0,0|1,0,0]=3 22426 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,2,0,0,0,0|1,0,0]=3 22427 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,2,0,0,0,0|2,0,0]=4 22428 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,2,0,0,0,0|2,0,0]=4 22429 B13R0.2 CCCSCCNCCC(=O)NCC 2230a_100020603323_100000737597 [0,2,0,0,0,0|2,0,0]=4 22430 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,2,0,0,0,0|2,0,0]=4 22431 B13R0.2 CCCSCCOCCC(=O)NCC 7a_200000230433_100000737597 [0,2,0,0,0,0|2,0,0]=4 22432 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,2,0,0,0,0|2,0,0]=4 22433 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,2,0,0,0,0|2,0,0]=4 22434 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,2,0,0,0,0|1,0,0]=3 22435 B13R0.2 CCNC(=O)CCNCCCCCF 34a_100025743525_100000729378 [0,2,0,0,0,0|2,0,0]=4 22436 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [0,2,0,0,0,0|2,0,0]=4 22437 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [0,2,0,0,0,0|2,0,0]=4 22438 B13R0.2 CCNC(=O)CCNCCCCOC 34a_100025743525_100000755781 [0,2,0,0,0,0|2,0,0]=4 22439 B13R0.2 CCNC(=O)CCNCCCOCC 2230a_100000210961_100000737597 [0,2,0,0,0,0|2,0,0]=4 22440 B13R0.2 CCNC(=O)CCNCCCOCC 34a_100025743525_100012232248 [0,2,0,0,0,0|2,0,0]=4 22441 B13R0.2 CCNC(=O)CCOCCCCCBr 7a_100000746331_100000737597 [0,2,0,0,0,0|2,0,0]=4 22442 B13R0.2 CCNC(=O)CCOCCCCCCl 7a_100000746330_100000737597 [0,2,0,0,0,0|2,0,0]=4 22443 B13R0.2 CCNC(=O)CCOCCCCCI 7a_200012148887_100000737597 [0,2,0,0,0,0|2,0,0]=4 22444 B13R0.2 CCNC(=O)CCOCCCCSC 7a_100011217163_100000737597 [0,2,0,0,0,0|2,0,0]=4 22445 B13R0.2 CCNC(=O)CCOCCCOCC 7a_100000757476_100000737597 [0,2,0,0,0,0|2,0,0]=4 22446 B13R0.2 CCNC(=O)CCOCCCSCC 7a_100011216438_100000737597 [0,2,0,0,0,0|2,0,0]=4 22447 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000729378_100000737597 [0,2,0,0,0,0|2,0,0]=4 22448 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000737597_100000729378 [0,2,0,0,0,0|2,0,0]=4 22449 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [0,2,0,0,0,0|2,0,0]=4 22450 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [0,2,0,0,0,0|2,0,0]=4 22451 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000730899_100000737597 [0,2,0,0,0,0|2,0,0]=4 22452 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000737597_100000730899 [0,2,0,0,0,0|2,0,0]=4 22453 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100000737597_100012232248 [0,2,0,0,0,0|2,0,0]=4 22454 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100012232248_100000737597 [0,2,0,0,0,0|2,0,0]=4 22455 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [0,2,0,0,0,0|2,0,0]=4 22456 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,2,0,0,0,0|2,0,0]=4 22457 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,2,0,0,0,0|2,0,0]=4 22458 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,2,0,0,0,0|2,0,0]=4 22459 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [0,2,0,0,0,0|2,0,0]=4 22460 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [0,2,0,0,0,0|2,0,0]=4 22461 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,2,0,0,0,0|2,0,0]=4 22462 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,2,0,0,0,0|2,0,0]=4 22463 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,2,0,0,0,0|2,0,0]=4 22464 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,2,0,0,0,0|2,0,0]=4 22465 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,2,0,0,0,0|2,0,0]=4 22466 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,2,0,0,0,0|2,0,0]=4 22467 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,2,0,0,0,0|2,0,0]=4 22468 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,2,0,0,0,0|2,0,0]=4 22469 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [0,2,0,0,0,0|2,0,0]=4 22470 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [0,2,0,0,0,0|2,0,0]=4 22471 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,2,0,0,0,0|2,0,0]=4 22472 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,2,0,0,0,0|2,0,0]=4 22473 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 22474 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 22475 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 22476 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 22477 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 22478 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 22479 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,2,0,0,0,0|1,0,0]=3 22480 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|1,0,0]=3 22481 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|1,0,0]=3 22482 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|1,0,0]=3 22483 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|1,0,0]=3 22484 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|1,0,0]=3 22485 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|1,0,0]=3 22486 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,2,0,0,0,0|1,0,0]=3 22487 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,2,0,0,0,0|2,0,0]=4 22488 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,2,0,0,0,0|2,0,0]=4 22489 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,2,0,0,0,0|2,0,0]=4 22490 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,2,0,0,0,0|2,0,0]=4 22491 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,2,0,0,0,0|2,0,0]=4 22492 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,2,0,0,0,0|2,0,0]=4 22493 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,2,0,0,0,0|2,0,0]=4 22494 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,2,0,0,0,0|2,0,0]=4 22495 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,2,0,0,0,0|2,0,0]=4 22496 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,2,0,0,0,0|2,0,0]=4 22497 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,2,0,0,0,0|2,0,0]=4 22498 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,2,0,0,0,0|2,0,0]=4 22499 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,2,0,0,0,0|2,0,0]=4 22500 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,2,0,0,0,0|2,0,0]=4 22501 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,2,0,0,0,0|2,0,0]=4 22502 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,2,0,0,0,0|2,0,0]=4 22503 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,2,0,0,0,0|2,0,0]=4 22504 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,2,0,0,0,0|2,0,0]=4 22505 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,2,0,0,0,0|2,0,0]=4 22506 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,2,0,0,0,0|2,0,0]=4 22507 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,2,0,0,0,0|2,0,0]=4 22508 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,2,0,0,0,0|2,0,0]=4 22509 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,2,0,0,0,0|2,0,0]=4 22510 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,2,0,0,0,0|2,0,0]=4 22511 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,2,0,0,0,0|2,0,0]=4 22512 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,2,0,0,0,0|2,0,0]=4 22513 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,2,0,0,0,0|2,0,0]=4 22514 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,2,0,0,0,0|2,0,0]=4 22515 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,2,0,0,0,0|2,0,0]=4 22516 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,2,0,0,0,0|2,0,0]=4 22517 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,2,0,0,0,0|2,0,0]=4 22518 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,2,0,0,0,0|2,0,0]=4 22519 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,2,0,0,0,0|2,0,0]=4 22520 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,2,0,0,0,0|2,0,0]=4 22521 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,2,0,0,0,0|2,0,0]=4 22522 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,2,0,0,0,0|2,0,0]=4 22523 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,2,0,0,0,0|2,0,0]=4 22524 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,2,0,0,0,0|2,0,0]=4 22525 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,2,0,0,0,0|2,0,0]=4 22526 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,2,0,0,0,0|2,0,0]=4 22527 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,2,0,0,0,0|2,0,0]=4 22528 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,2,0,0,0,0|2,0,0]=4 22529 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,2,0,0,0,0|2,0,0]=4 22530 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,2,0,0,0,0|2,0,0]=4 22531 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,2,0,0,0,0|2,0,0]=4 22532 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,2,0,0,0,0|2,0,0]=4 22533 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,2,0,0,0,0|2,0,0]=4 22534 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,2,0,0,0,0|2,0,0]=4 22535 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,2,0,0,0,0|2,0,0]=4 22536 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,2,0,0,0,0|2,0,0]=4 22537 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,2,0,0,0,0|2,0,0]=4 22538 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,2,0,0,0,0|2,0,0]=4 22539 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,2,0,0,0,0|2,0,0]=4 22540 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,2,0,0,0,0|2,0,0]=4 22541 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,2,0,0,0,0|2,0,0]=4 22542 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,2,0,0,0,0|2,0,0]=4 22543 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,2,0,0,0,0|2,0,0]=4 22544 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,2,0,0,0,0|2,0,0]=4 22545 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,2,0,0,0,0|2,0,0]=4 22546 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,2,0,0,0,0|2,0,0]=4 22547 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,2,0,0,0,0|2,0,0]=4 22548 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,2,0,0,0,0|2,0,0]=4 22549 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,2,0,0,0,0|2,0,0]=4 22550 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,2,0,0,0,0|2,0,0]=4 22551 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,2,0,0,0,0|2,0,0]=4 22552 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,2,0,0,0,0|2,0,0]=4 22553 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,2,0,0,0,0|2,0,0]=4 22554 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,2,0,0,0,0|2,0,0]=4 22555 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,2,0,0,0,0|2,0,0]=4 22556 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,2,0,0,0,0|2,0,0]=4 22557 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,2,0,0,0,0|2,0,0]=4 22558 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,2,0,0,0,0|2,0,0]=4 22559 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,2,0,0,0,0|2,0,0]=4 22560 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,2,0,0,0,0|2,0,0]=4 22561 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,2,0,0,0,0|2,0,0]=4 22562 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,2,0,0,0,0|2,0,0]=4 22563 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,2,0,0,0,0|2,0,0]=4 22564 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,2,0,0,0,0|2,0,0]=4 22565 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,2,0,0,0,0|2,0,0]=4 22566 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,2,0,0,0,0|2,0,0]=4 22567 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,2,0,0,0,0|2,0,0]=4 22568 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,2,0,0,0,0|2,0,0]=4 22569 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,2,0,0,0,0|2,0,0]=4 22570 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,2,0,0,0,0|2,0,0]=4 22571 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,2,0,0,0,0|2,0,0]=4 22572 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,2,0,0,0,0|2,0,0]=4 22573 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,2,0,0,0,0|2,0,0]=4 22574 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,2,0,0,0,0|2,0,0]=4 22575 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,2,0,0,0,0|2,0,0]=4 22576 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,2,0,0,0,0|2,0,0]=4 22577 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,2,0,0,0,0|2,0,0]=4 22578 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,2,0,0,0,0|2,0,0]=4 22579 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,2,0,0,0,0|2,0,0]=4 22580 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,2,0,0,0,0|2,0,0]=4 22581 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,2,0,0,0,0|2,0,0]=4 22582 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,2,0,0,0,0|2,0,0]=4 22583 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,2,0,0,0,0|2,0,0]=4 22584 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,2,0,0,0,0|2,0,0]=4 22585 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,2,0,0,0,0|2,0,0]=4 22586 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,2,0,0,0,0|2,0,0]=4 22587 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,2,0,0,0,0|2,0,0]=4 22588 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,2,0,0,0,0|1,0,0]=3 22589 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,2,0,0,0,0|2,0,0]=4 22590 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,2,0,0,0,0|2,0,0]=4 22591 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,2,0,0,0,0|2,0,0]=4 22592 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,2,0,0,0,0|2,0,0]=4 22593 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,2,0,0,0,0|2,0,0]=4 22594 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,2,0,0,0,0|2,0,0]=4 22595 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,2,0,0,0,0|2,0,0]=4 22596 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,2,0,0,0,0|2,0,0]=4 22597 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,2,0,0,0,0|2,0,0]=4 22598 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,2,0,0,0,0|2,0,0]=4 22599 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,2,0,0,0,0|2,0,0]=4 22600 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,2,0,0,0,0|2,0,0]=4 22601 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,2,0,0,0,0|2,0,0]=4 22602 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,2,0,0,0,0|2,0,0]=4 22603 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,2,0,0,0,0|2,0,0]=4 22604 B13R0.2 CNCCCCCOCC(=O)NCO 34a_100000722520_100000185155 [0,2,0,0,0,0|2,0,0]=4 22605 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,2,0,0,0,0|1,0,0]=3 22606 B13R0.2 CNNC(=O)NCCCCCCCO 273464a_100011996573_100016993582 [0,2,0,0,0,0|2,0,0]=4 22607 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100011996573_100016993582 [0,2,0,0,0,0|2,0,0]=4 22608 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100016993582_100011996573 [0,2,0,0,0,0|2,0,0]=4 22609 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|1,0,0]=3 22610 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,2,0,0,0,0|2,0,0]=4 22611 B13R0.2 COCCCCCNCC(=O)NCO 2230a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 22612 B13R0.2 COCCCCCNCC(=O)NCO 34a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 22613 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,2,0,0,0,0|1,0,0]=3 22614 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,2,0,0,0,0|2,0,0]=4 22615 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,2,0,0,0,0|1,0,0]=3 22616 B13R0.2 N#CCC(=O)NCCCCCCCO 240690a_100011996573_100051588842 [0,2,0,0,0,0|2,0,0]=4 22617 B13R0.2 NCCCCCCOCC(=O)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 22618 B13R0.2 O=C(C=CBr)CCCCCCCCO 1458a_100016273825_100000033203 [0,2,0,0,0,0|1,0,1]=4 22619 B13R0.2 O=C(C=CCl)CCCCCCCCO 1458a_200016279998_100000033203 [0,2,0,0,0,0|1,0,1]=4 22620 B13R0.2 O=C(C=CI)CCCCCCCCO 1458a_100016256311_100000033203 [0,2,0,0,0,0|1,0,1]=4 22621 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|1,0,0]=3 22622 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,2,0,0,0,0|2,0,0]=4 22623 B13R0.2 O=C(CNCCCCCCO)NCO 2230a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 22624 B13R0.2 O=C(CNCCCCCCO)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 22625 B13R0.2 O=C(COCCCCCCBr)NCO 34a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 22626 B13R0.2 O=C(COCCCCCCBr)NCO 7a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 22627 B13R0.2 O=C(COCCCCCCCl)NCO 34a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 22628 B13R0.2 O=C(COCCCCCCCl)NCO 7a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 22629 B13R0.2 O=C(COCCCCCCF)NCO 34a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 22630 B13R0.2 O=C(COCCCCCCF)NCO 7a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 22631 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100000185155_100015922095 [0,2,0,0,0,0|2,0,0]=4 22632 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100015922095_100000185155 [0,2,0,0,0,0|2,0,0]=4 22633 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000185155_100000766143 [0,2,0,0,0,0|2,0,0]=4 22634 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 22635 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [0,2,0,0,0,0|0,0,1]=3 22636 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [0,2,0,0,0,0|0,0,1]=3 22637 B13R0.87 CCCC(=O)CNCCCC(=O)NC 2230a_100000740002_100000747444 [0,2,0,0,0,0|1,0,1]=4 22638 B13R0.87 CCCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747444 [0,2,0,0,0,0|1,0,1]=4 22639 B13R0.87 CCCC(=O)CSCCCC(=O)NC 62a_100000747444_100000741757 [0,2,0,0,0,0|1,0,1]=4 22640 B13R0.87 CCCC(=O)CSCCCC(=O)OC 62a_100000747444_100011218270 [0,2,0,0,0,0|1,0,1]=4 22641 B13R0.87 CCCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747444 [0,2,0,0,0,0|1,0,1]=4 22642 B13R0.87 CCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000211992 [0,2,0,0,0,0|1,0,1]=4 22643 B13R0.87 CCCC(C)CCCOCC(=O)CC 7a_100011713154_100000747405 [0,2,0,0,0,0|1,0,0]=3 22644 B13R0.87 CCCC(C)CCCOCC(=O)NC 34a_100011713154_100000183359 [0,2,0,0,0,0|1,0,0]=3 22645 B13R0.87 CCCC(C)CCCOCC(=O)NC 7a_100011713154_100000183359 [0,2,0,0,0,0|1,0,0]=3 22646 B13R0.87 CCCC(C)CCCOCC(=O)OC 34a_100011713154_100000747449 [0,2,0,0,0,0|1,0,0]=3 22647 B13R0.87 CCCC(C)CCCOCC(=O)OC 7a_100011713154_100000747449 [0,2,0,0,0,0|1,0,0]=3 22648 B13R0.87 CCCC(C)CCOCCC(=O)NC 34a_100011217855_100012179268 [0,2,0,0,0,0|1,0,0]=3 22649 B13R0.87 CCCC(C)CCOCCC(=O)NC 7a_100011217855_100000737683 [0,2,0,0,0,0|1,0,0]=3 22650 B13R0.87 CCCC(C)CCOCCC(=O)OC 34a_100011217855_100000742370 [0,2,0,0,0,0|1,0,0]=3 22651 B13R0.87 CCCC(C)CCOCCC(=O)OC 7a_100011217855_100000204255 [0,2,0,0,0,0|1,0,0]=3 22652 B13R0.87 CCCC(C)CNCCCC(=O)NC 2230a_100000740002_100011216630 [0,2,0,0,0,0|1,0,0]=3 22653 B13R0.87 CCCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243154 [0,2,0,0,0,0|1,0,0]=3 22654 B13R0.87 CCCC(C)CNCCCC(=O)NC 34a_100000740002_100011216630 [0,2,0,0,0,0|1,0,0]=3 22655 B13R0.87 CCCC(C)CNCCNC(=O)CC 270004a_100132302217_100000243154 [0,2,0,0,0,0|2,0,0]=4 22656 B13R0.87 CCCC(C)CNCCNC(=O)CC 34a_100132302217_100011216630 [0,2,0,0,0,0|2,0,0]=4 22657 B13R0.87 CCCC(C)CNCCNC(=O)NC 34a_100015205895_100011216630 [0,2,0,0,0,0|2,0,0]=4 22658 B13R0.87 CCCC(C)COCCCC(=O)NC 34a_100000688023_100000741757 [0,2,0,0,0,0|1,0,0]=3 22659 B13R0.87 CCCC(C)COCCCC(=O)NC 7a_100000688023_100000741757 [0,2,0,0,0,0|1,0,0]=3 22660 B13R0.87 CCCC(C)COCCCC(=O)NN 34a_100000211488_100011216630 [0,2,0,0,0,0|2,0,0]=4 22661 B13R0.87 CCCC(C)COCCCC(=O)OC 34a_100000688023_100000742333 [0,2,0,0,0,0|1,0,0]=3 22662 B13R0.87 CCCC(C)COCCCC(=O)OC 7a_100000688023_100011218270 [0,2,0,0,0,0|1,0,0]=3 22663 B13R0.87 CCCC(C)COCCNC(=O)CC 34a_200000158885_100011216630 [0,2,0,0,0,0|2,0,0]=4 22664 B13R0.87 CCCC(C)COCCNC(=O)CC 7a_200000158885_100011216630 [0,2,0,0,0,0|2,0,0]=4 22665 B13R0.87 CCCC(C)COCCNC(=O)OC 34a_100000757965_100011216630 [0,2,0,0,0,0|2,0,0]=4 22666 B13R0.87 CCCC(C)COCCOC(=O)CC 7a_200000031056_100011216630 [0,2,0,0,0,0|2,0,0]=4 22667 B13R0.87 CCCC(C)COCCOC(=O)NC 34a_100000688023_200011997002 [0,2,0,0,0,0|2,0,0]=4 22668 B13R0.87 CCCC(C)COCCOC(=O)NC 7a_100000688023_200011997002 [0,2,0,0,0,0|2,0,0]=4 22669 B13R0.87 CCCC(C)COCCOC(=O)OC 34a_100010262106_100011216630 [0,2,0,0,0,0|2,0,0]=4 22670 B13R0.87 CCCC(C)CSCCCC(=O)NC 62a_100000741757_100011216630 [0,2,0,0,0,0|1,0,0]=3 22671 B13R0.87 CCCC(C)CSCCCC(=O)NC 62a_100011216630_100000741757 [0,2,0,0,0,0|1,0,0]=3 22672 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011216630_100011218270 [0,2,0,0,0,0|1,0,0]=3 22673 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011218270_100011216630 [0,2,0,0,0,0|1,0,0]=3 22674 B13R0.87 CCCC(C)CSCCOC(=O)NC 62a_100011216630_200011997002 [0,2,0,0,0,0|2,0,0]=4 22675 B13R0.87 CCCC(C)CSCCOC(=O)NC 62a_200011997002_100011216630 [0,2,0,0,0,0|2,0,0]=4 22676 B13R0.87 CCCC(C)NCCCCC(=O)OC 2230a_100000741246_100000204269 [0,2,0,0,0,0|1,0,0]=3 22677 B13R0.87 CCCC(C)NCCOCC(=O)OC 2230a_100000741246_100000090808 [0,2,0,0,0,0|2,0,0]=4 22678 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000059025_100000766640 [0,2,0,0,0,0|1,0,0]=3 22679 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000764384_100000204269 [0,2,0,0,0,0|1,0,0]=3 22680 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000059025_100000766640 [0,2,0,0,0,0|1,0,0]=3 22681 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000764384_100000204269 [0,2,0,0,0,0|1,0,0]=3 22682 B13R0.87 CCCC(C)OCCOCC(=O)OC 34a_100000764384_100000090808 [0,2,0,0,0,0|2,0,0]=4 22683 B13R0.87 CCCC(C)OCCOCC(=O)OC 7a_100000764384_100000090808 [0,2,0,0,0,0|2,0,0]=4 22684 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000204269_100000766640 [0,2,0,0,0,0|1,0,0]=3 22685 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000766640_100000204269 [0,2,0,0,0,0|1,0,0]=3 22686 B13R0.87 CCCC(C)SCCOCC(=O)OC 62a_100000090808_100000766640 [0,2,0,0,0,0|2,0,0]=4 22687 B13R0.87 CCCC(C)SCCOCC(=O)OC 62a_100000766640_100000090808 [0,2,0,0,0,0|2,0,0]=4 22688 B13R0.87 CCCN(C)CCCCCC(=O)OC 2230a_100000747261_100009816466 [0,2,0,0,0,0|1,0,0]=3 22689 B13R0.87 CCCN(C)CCCCCC(=O)OC 269982a_100000747261_100009816466 [0,2,0,0,0,0|1,0,0]=3 22690 B13R0.87 CCC[C@H](N)CCOCCC(=O)NC 34a_100015193777_100012179268 [0,2,0,0,0,0|1,0,0]=3 22691 B13R0.87 CCC[C@H](N)CCOCCC(=O)OC 34a_100015193777_100000742370 [0,2,0,0,0,0|1,0,0]=3 22692 B13R0.87 CCC[C@H](N)COCCCC(=O)NC 34a_100000732646_100000741757 [0,2,0,0,0,0|1,0,0]=3 22693 B13R0.87 CCC[C@H](N)COCCCC(=O)OC 34a_100000732646_100000742333 [0,2,0,0,0,0|1,0,0]=3 22694 B13R0.87 CCC[C@H](N)COCCOC(=O)NC 34a_100000732646_200011997002 [0,2,0,0,0,0|2,0,0]=4 22695 B13R0.87 CCNC(=O)CCCCCC(=O)OC 11a_100015525214_100009848860 [0,2,0,0,0,0|1,0,1]=4 22696 B13R0.87 CCNC(=O)CCCCCC(=O)OC 240690a_100015525214_100009848860 [0,2,0,0,0,0|1,0,1]=4 22697 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [0,2,0,0,0,0|1,0,1]=4 22698 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [0,2,0,0,0,0|1,0,1]=4 22699 B13R0.87 CCOC(=O)CCCCCC(=O)CF 1458a_100000037472_100015361967 [0,2,0,0,0,0|1,0,1]=4 22700 B13R0.87 CCOC(=O)CCCCCC(=O)CO 1458a_100000210174_100000755133 [0,2,0,0,0,0|1,0,1]=4 22701 B13R0.87 CCOC(=O)CCCCCC(=O)NC 11a_106832991635_100000037472 [0,2,0,0,0,0|1,0,1]=4 22702 B13R0.87 CCOC(=O)CCCCCC(=O)NC 1626a_100102657272_100000037472 [0,2,0,0,0,0|1,0,1]=4 22703 B13R0.87 CCOC(=O)CCCCCC(=O)NC 240690a_100102657272_100000037472 [0,2,0,0,0,0|1,0,1]=4 22704 B13R0.87 CCOC(=O)CCCCCC(=O)NC 527a_100102657272_100000037472 [0,2,0,0,0,0|1,0,1]=4 22705 B13R0.87 CNC(=O)CCCNCC(O)COC 2230a_100000756049_100000741757 [0,2,0,0,0,0|2,0,0]=4 22706 B13R0.87 CNC(=O)CCCNCC(O)COC 34a_100000740002_100011215053 [0,2,0,0,0,0|2,0,0]=4 22707 B13R0.87 CNC(=O)CCCNCC(O)COC 34a_100000756049_100000741757 [0,2,0,0,0,0|2,0,0]=4 22708 B13R0.87 CNC(=O)CCCOCC(C)CCN 34a_106354213184_100000741757 [0,2,0,0,0,0|2,0,0]=4 22709 B13R0.87 CNC(=O)CCCOCC(N)COC 34a_100000724102_100000741757 [0,2,0,0,0,0|2,0,0]=4 22710 B13R0.87 CNC(=O)CCCSCC(O)COC 62a_100000741757_100011215053 [0,2,0,0,0,0|2,0,0]=4 22711 B13R0.87 CNC(=O)CCCSCC(O)COC 62a_100011215053_100000741757 [0,2,0,0,0,0|2,0,0]=4 22712 B13R0.87 COC(=O)CCCCCC(=O)CCF 1458a_100009848860_100011217306 [0,2,0,0,0,0|1,0,1]=4 22713 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100009848860_100000211926 [0,2,0,0,0,0|1,0,1]=4 22714 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009816466 [0,2,0,0,0,0|1,0,1]=4 22715 B13R0.87 COC(=O)CCCCCC(=O)CSC 1458a_100000184570_100009816466 [0,2,0,0,0,0|1,0,1]=4 22716 B13R0.87 COC(=O)CCCCCN(C)CCO 2230a_100000210263_100009816466 [0,2,0,0,0,0|2,0,0]=4 22717 B13R0.87 COC(=O)CCCCCN(C)CCO 269982a_100000210263_100009816466 [0,2,0,0,0,0|2,0,0]=4 22718 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 2230a_100000706166_100000204269 [0,2,0,0,0,0|2,0,0]=4 22719 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100000204269 [0,2,0,0,0,0|2,0,0]=4 22720 B13R0.87 COC(=O)CCCCOC(C)CCBr 34a_100012276601_100000204269 [0,2,0,0,0,0|2,0,0]=4 22721 B13R0.87 COC(=O)CCCCOC(C)CCO 34a_100000059025_100009893172 [0,2,0,0,0,0|2,0,0]=4 22722 B13R0.87 COC(=O)CCCCOC(C)CCO 7a_100000059025_100009893172 [0,2,0,0,0,0|2,0,0]=4 22723 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100000204269_100009893172 [0,2,0,0,0,0|2,0,0]=4 22724 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100009893172_100000204269 [0,2,0,0,0,0|2,0,0]=4 22725 B13R0.87 COC(=O)CCCOCC(C)CCN 34a_106354213184_100000742333 [0,2,0,0,0,0|2,0,0]=4 22726 B13R0.87 COCC(=O)CCCCCC(=O)OC 1458a_100000210968_100009816466 [0,2,0,0,0,0|1,0,1]=4 22727 B13R0.87 COCC(C)OCCCCC(=O)OC 34a_100000059025_100000765312 [0,2,0,0,0,0|2,0,0]=4 22728 B13R0.87 COCC(C)OCCCCC(=O)OC 7a_100000059025_100000765312 [0,2,0,0,0,0|2,0,0]=4 22729 B13R0.87 COCC(C)SCCCCC(=O)OC 62a_100000204269_100000765312 [0,2,0,0,0,0|2,0,0]=4 22730 B13R0.87 COCC(C)SCCCCC(=O)OC 62a_100000765312_100000204269 [0,2,0,0,0,0|2,0,0]=4 22731 B13R0.87 COCC(N)COCCCC(=O)OC 34a_100000724102_100000742333 [0,2,0,0,0,0|2,0,0]=4 22732 B13R0.87 COCC(O)CNCCCC(=O)OC 2230a_100000756049_100011218270 [0,2,0,0,0,0|2,0,0]=4 22733 B13R0.87 COCC(O)CNCCCC(=O)OC 34a_100000756049_100000742333 [0,2,0,0,0,0|2,0,0]=4 22734 B13R0.87 COCC(O)CSCCCC(=O)OC 62a_100011215053_100011218270 [0,2,0,0,0,0|2,0,0]=4 22735 B13R0.87 COCC(O)CSCCCC(=O)OC 62a_100011218270_100011215053 [0,2,0,0,0,0|2,0,0]=4 22736 B13R0.87 COC[C@@H](C)NCCCCC(=O)OC 2230a_100000764878_100000204269 [0,2,0,0,0,0|2,0,0]=4 22737 B13R0.87 COC[C@@H](C)OCCCCC(=O)OC 34a_100011934205_100000204269 [0,2,0,0,0,0|2,0,0]=4 22738 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCC 1458a_100020587367_100000210759 [0,2,0,0,0,0|1,0,1]=4 22739 B13R0.340 C/C=C(\C)/C(C)NCCCCCCC 269862a_100000229938_100020675665 [0,2,0,0,0,0|2,0,0]=4 22740 B13R0.340 C=C(COCCCCCC)C(=O)OC 34a_100000210259_100009813391 [0,2,0,0,0,0|1,0,1]=4 22741 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100000210314_100009813391 [0,2,0,0,0,0|1,0,1]=4 22742 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100009813391_100000210757 [0,2,0,0,0,0|1,0,1]=4 22743 B13R0.340 C=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000185746 [0,2,0,0,0,0|1,0,1]=4 22744 B13R0.340 C=CC(=O)N(C)CCCCCCCC 240690a_100000207567_200121576911 [0,2,0,0,0,0|1,0,1]=4 22745 B13R0.340 CCC(=O)C(C)NCCCCCCO 2230a_100000686447_100000742827 [0,2,0,0,0,0|2,0,0]=4 22746 B13R0.340 CCC(=O)C(C)NCCCCCOC 2230a_100000747528_100000742827 [0,2,0,0,0,0|2,0,0]=4 22747 B13R0.340 CCC(=O)C(C)OCCCCCCBr 7a_100011215345_100000742827 [0,2,0,0,0,0|2,0,0]=4 22748 B13R0.340 CCC(=O)C(C)OCCCCCCCl 7a_100000766143_100000742827 [0,2,0,0,0,0|2,0,0]=4 22749 B13R0.340 CCC(=O)C(C)OCCCCCCF 7a_100000732779_100000742827 [0,2,0,0,0,0|2,0,0]=4 22750 B13R0.340 CCC(=O)C(C)SCCCCCCF 62a_100000742827_100015922095 [0,2,0,0,0,0|2,0,0]=4 22751 B13R0.340 CCC(=O)C(C)SCCCCCCF 62a_100015922095_100000742827 [0,2,0,0,0,0|2,0,0]=4 22752 B13R0.340 CCC(=O)C(C)SCCCCCCO 62a_100000742827_100000766143 [0,2,0,0,0,0|2,0,0]=4 22753 B13R0.340 CCC(=O)C(C)SCCCCCCO 62a_100000766143_100000742827 [0,2,0,0,0,0|2,0,0]=4 22754 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,2,0,0,0,0|0,0,1]=3 22755 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [0,2,0,0,0,0|0,0,0]=2 22756 B13R0.340 CCCCCCCCC(O)C(=O)CF 1458a_200011995895_100015361967 [0,2,0,0,0,0|0,0,0]=2 22757 B13R0.340 CCCCCCCCC(O)C(=O)NC 240690a_100102657272_200011995895 [0,2,0,0,0,0|0,0,0]=2 22758 B13R0.340 CCCCCCCCN(C)C(=O)CC 11a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 22759 B13R0.340 CCCCCCCCN(C)C(=O)CC 1626a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 22760 B13R0.340 CCCCCCCCN(C)C(=O)CC 240690a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 22761 B13R0.340 CCCCCCCCN(C)C(=O)CC 527a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 22762 B13R0.340 CCCCCCCCN(C)C(=O)CO 240690a_100000207567_100000210174 [0,2,0,0,0,0|1,0,0]=3 22763 B13R0.340 CCCCCCCCN(C)C(=O)CO 527a_100000207567_100000210174 [0,2,0,0,0,0|1,0,0]=3 22764 B13R0.340 CCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207567 [0,2,0,0,0,0|1,0,0]=3 22765 B13R0.340 CCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207567 [0,2,0,0,0,0|1,0,0]=3 22766 B13R0.340 CCCCCCCNC(=O)C(=O)NC 1626a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 22767 B13R0.340 CCCCCCCNC(=O)C(=O)NC 240690a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 22768 B13R0.340 CCCCCCCNC(=O)C(=O)NC 527a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 22769 B13R0.340 CCCCCCCNC(=O)C(=O)OC 11a_100000229938_100000024059 [0,2,0,0,0,0|1,0,1]=4 22770 B13R0.340 CCCCCCCNC(=O)C(=O)OC 1626a_100000229938_100000024059 [0,2,0,0,0,0|1,0,1]=4 22771 B13R0.340 CCCCCCCNC(=O)C(=O)OC 240690a_100000229938_100000024059 [0,2,0,0,0,0|1,0,1]=4 22772 B13R0.340 CCCCCCCNC(=O)C(=O)OC 527a_100000229938_100000024059 [0,2,0,0,0,0|1,0,1]=4 22773 B13R0.340 CCCCCCCNC(C)C(=O)CC 2230a_100000229938_100000742827 [0,2,0,0,0,0|1,0,0]=3 22774 B13R0.340 CCCCCCCNC(C)C(=O)NC 2230a_100000229938_100000731044 [0,2,0,0,0,0|1,0,0]=3 22775 B13R0.340 CCCCCCCNC(C)C(=O)OC 2230a_100000229938_100000211248 [0,2,0,0,0,0|1,0,0]=3 22776 B13R0.340 CCCCCCCNC(F)C(=O)NC 2230a_100000229938_100009813575 [0,2,0,0,0,0|1,0,0]=3 22777 B13R0.340 CCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210681 [0,2,0,0,0,0|1,0,0]=3 22778 B13R0.340 CCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210614 [0,2,0,0,0,0|1,0,0]=3 22779 B13R0.340 CCCCCCCOC(C)C(=O)CC 7a_100000210272_100000742827 [0,2,0,0,0,0|1,0,0]=3 22780 B13R0.340 CCCCCCCOC(C)C(=O)NC 34a_100000210272_100000731044 [0,2,0,0,0,0|1,0,0]=3 22781 B13R0.340 CCCCCCCOC(C)C(=O)NC 7a_100000210272_100000209862 [0,2,0,0,0,0|1,0,0]=3 22782 B13R0.340 CCCCCCCOC(C)C(=O)NN 34a_100000725659_100000210614 [0,2,0,0,0,0|2,0,0]=4 22783 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100000210272_100000211248 [0,2,0,0,0,0|1,0,0]=3 22784 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210614 [0,2,0,0,0,0|1,0,0]=3 22785 B13R0.340 CCCCCCCOC(C)C(=O)OC 7a_100000210272_100000211248 [0,2,0,0,0,0|1,0,0]=3 22786 B13R0.340 CCCCCCCOC(F)C(=O)NC 34a_100000210272_100009813575 [0,2,0,0,0,0|1,0,0]=3 22787 B13R0.340 CCCCCCCOC(F)C(=O)NC 7a_100000210272_100009813575 [0,2,0,0,0,0|1,0,0]=3 22788 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000210614_100000742827 [0,2,0,0,0,0|1,0,0]=3 22789 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210316 [0,2,0,0,0,0|1,0,0]=3 22790 B13R0.340 CCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210316 [0,2,0,0,0,0|1,0,0]=3 22791 B13R0.340 CCCCCCCSC(C)C(=O)NC 62a_100000210614_100000731044 [0,2,0,0,0,0|1,0,0]=3 22792 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000210614_100000211248 [0,2,0,0,0,0|1,0,0]=3 22793 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210316 [0,2,0,0,0,0|1,0,0]=3 22794 B13R0.340 CCCCCCCSC(F)C(=O)NC 62a_100000210614_100009813575 [0,2,0,0,0,0|1,0,0]=3 22795 B13R0.340 CCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210316 [0,2,0,0,0,0|1,0,0]=3 22796 B13R0.340 CCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210314 [0,2,0,0,0,0|1,0,0]=3 22797 B13R0.340 CCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210314 [0,2,0,0,0,0|1,0,0]=3 22798 B13R0.340 CCCCCCOCC(=O)C(=O)OC 34a_100000210259_100011610305 [0,2,0,0,0,0|1,0,1]=4 22799 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000210259_100000698445 [0,2,0,0,0,0|1,0,0]=3 22800 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210314 [0,2,0,0,0,0|1,0,0]=3 22801 B13R0.340 CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210314 [0,2,0,0,0,0|1,0,0]=3 22802 B13R0.340 CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210314 [0,2,0,0,0,0|1,0,0]=3 22803 B13R0.340 CCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210314 [0,2,0,0,0,0|2,0,0]=4 22804 B13R0.340 CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210314 [0,2,0,0,0,0|1,0,0]=3 22805 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100000210314_100011610305 [0,2,0,0,0,0|1,0,1]=4 22806 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210757 [0,2,0,0,0,0|1,0,1]=4 22807 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000210314_100000698445 [0,2,0,0,0,0|1,0,0]=3 22808 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210757 [0,2,0,0,0,0|1,0,0]=3 22809 B13R0.340 CCCCCNCCC(C)C(=O)OC 2230a_100000209983_100000034942 [0,2,0,0,0,0|1,0,0]=3 22810 B13R0.340 CCCCCOCCC(C)C(=O)OC 34a_100000210253_100000034942 [0,2,0,0,0,0|1,0,0]=3 22811 B13R0.340 CCCCCOCCC(C)C(=O)OC 7a_100000210253_100000034942 [0,2,0,0,0,0|1,0,0]=3 22812 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210326 [0,2,0,0,0,0|1,0,0]=3 22813 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000210326_100000034942 [0,2,0,0,0,0|1,0,0]=3 22814 B13R0.340 CCCCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100000743108 [0,2,0,0,0,0|2,0,0]=4 22815 B13R0.340 CCCCOCCN[C@H](C)C(=O)NC 34a_100000684985_100000743108 [0,2,0,0,0,0|2,0,0]=4 22816 B13R0.340 CCCCOCCOC(C)C(=O)CC 7a_100000210238_100000742827 [0,2,0,0,0,0|2,0,0]=4 22817 B13R0.340 CCCCOCCOC(C)C(=O)NC 34a_100000210238_100000731044 [0,2,0,0,0,0|2,0,0]=4 22818 B13R0.340 CCCCOCCOC(C)C(=O)NC 7a_100000210238_100000209862 [0,2,0,0,0,0|2,0,0]=4 22819 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100000210238_100000211248 [0,2,0,0,0,0|2,0,0]=4 22820 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100011215400_100000743108 [0,2,0,0,0,0|2,0,0]=4 22821 B13R0.340 CCCCOCCOC(C)C(=O)OC 7a_100000210238_100000211248 [0,2,0,0,0,0|2,0,0]=4 22822 B13R0.340 CCCCOCCOC(F)C(=O)NC 34a_100000210238_100009813575 [0,2,0,0,0,0|2,0,0]=4 22823 B13R0.340 CCCCOCCOC(F)C(=O)NC 7a_100000210238_100009813575 [0,2,0,0,0,0|2,0,0]=4 22824 B13R0.340 CCCCOCCSC(C)C(=O)CC 62a_100000742827_100000743108 [0,2,0,0,0,0|2,0,0]=4 22825 B13R0.340 CCCCOCCSC(C)C(=O)CC 62a_100000743108_100000742827 [0,2,0,0,0,0|2,0,0]=4 22826 B13R0.340 CCCCOCCSC(C)C(=O)NC 62a_100000209862_100000743108 [0,2,0,0,0,0|2,0,0]=4 22827 B13R0.340 CCCCOCCSC(C)C(=O)NC 62a_100000743108_100000731044 [0,2,0,0,0,0|2,0,0]=4 22828 B13R0.340 CCCCOCCSC(C)C(=O)OC 62a_100000211248_100000743108 [0,2,0,0,0,0|2,0,0]=4 22829 B13R0.340 CCCCOCCSC(C)C(=O)OC 62a_100000743108_100000211248 [0,2,0,0,0,0|2,0,0]=4 22830 B13R0.340 CCCCOCCSC(F)C(=O)NC 62a_100000743108_100009813575 [0,2,0,0,0,0|2,0,0]=4 22831 B13R0.340 CCCCOCCSC(F)C(=O)NC 62a_100009813575_100000743108 [0,2,0,0,0,0|2,0,0]=4 22832 B13R0.340 CCCCOCNCC(C)C(=O)NC 2230a_100015187722_100011995733 [0,2,0,0,0,0|2,0,0]=4 22833 B13R0.340 CCCCOCNCC(C)C(=O)NC 34a_100015187722_100011995733 [0,2,0,0,0,0|2,0,0]=4 22834 B13R0.340 CCCCOCOCC(C)C(=O)OC 34a_100000749362_100011995733 [0,2,0,0,0,0|2,0,0]=4 22835 B13R0.340 CCCCOCOCC(F)C(=O)OC 34a_200009849844_100011995733 [0,2,0,0,0,0|2,0,0]=4 22836 B13R0.340 CCCCOCOC[C@@H](N)C(=O)OC 34a_100000003586_100011995733 [0,2,0,0,0,0|2,0,0]=4 22837 B13R0.340 CCCCOCSCC(C)C(=O)OC 62a_100000698445_100011995733 [0,2,0,0,0,0|2,0,0]=4 22838 B13R0.340 CCCCOCSCC(C)C(=O)OC 62a_100011995733_100000698445 [0,2,0,0,0,0|2,0,0]=4 22839 B13R0.340 CCCCSCCNC(C)C(=O)CC 2230a_100025743550_100000742827 [0,2,0,0,0,0|2,0,0]=4 22840 B13R0.340 CCCCSCCNC(C)C(=O)NC 2230a_100025743550_100000731044 [0,2,0,0,0,0|2,0,0]=4 22841 B13R0.340 CCCCSCCNC(C)C(=O)OC 2230a_100025743550_100000211248 [0,2,0,0,0,0|2,0,0]=4 22842 B13R0.340 CCCCSCCNC(F)C(=O)NC 2230a_100025743550_100009813575 [0,2,0,0,0,0|2,0,0]=4 22843 B13R0.340 CCCCSCCOC(C)C(=O)CC 7a_200000230436_100000742827 [0,2,0,0,0,0|2,0,0]=4 22844 B13R0.340 CCCCSCCOC(C)C(=O)NC 34a_200000230436_100000731044 [0,2,0,0,0,0|2,0,0]=4 22845 B13R0.340 CCCCSCCOC(C)C(=O)NC 7a_200000230436_100000209862 [0,2,0,0,0,0|2,0,0]=4 22846 B13R0.340 CCCCSCCOC(C)C(=O)OC 34a_200000230436_100000211248 [0,2,0,0,0,0|2,0,0]=4 22847 B13R0.340 CCCCSCCOC(C)C(=O)OC 7a_200000230436_100000211248 [0,2,0,0,0,0|2,0,0]=4 22848 B13R0.340 CCCCSCCOC(F)C(=O)NC 34a_200000230436_100009813575 [0,2,0,0,0,0|2,0,0]=4 22849 B13R0.340 CCCCSCCOC(F)C(=O)NC 7a_200000230436_100009813575 [0,2,0,0,0,0|2,0,0]=4 22850 B13R0.340 CCCOCCCNC(C)C(=O)CC 2230a_100011217757_100000742827 [0,2,0,0,0,0|2,0,0]=4 22851 B13R0.340 CCCOCCCNC(C)C(=O)NC 2230a_100011217757_100000731044 [0,2,0,0,0,0|2,0,0]=4 22852 B13R0.340 CCCOCCCNC(C)C(=O)NC 34a_100011217757_100000731044 [0,2,0,0,0,0|2,0,0]=4 22853 B13R0.340 CCCOCCCNC(C)C(=O)OC 2230a_100011217757_100000211248 [0,2,0,0,0,0|2,0,0]=4 22854 B13R0.340 CCCOCCCNC(C)C(=O)OC 34a_100011217757_100000211248 [0,2,0,0,0,0|2,0,0]=4 22855 B13R0.340 CCCOCCCNC(F)C(=O)NC 2230a_100011217757_100009813575 [0,2,0,0,0,0|2,0,0]=4 22856 B13R0.340 CCCOCCCNC(F)C(=O)NC 34a_100011217757_100009813575 [0,2,0,0,0,0|2,0,0]=4 22857 B13R0.340 CCCOCCNCC(C)C(=O)NC 2230a_100015187722_100011215938 [0,2,0,0,0,0|2,0,0]=4 22858 B13R0.340 CCCOCCNCC(C)C(=O)NC 34a_100015187722_100011215938 [0,2,0,0,0,0|2,0,0]=4 22859 B13R0.340 CCCOCCNCC(C)C(=O)OC 34a_100161115042_100000698445 [0,2,0,0,0,0|2,0,0]=4 22860 B13R0.340 CCCOCCOCC(C)C(=O)OC 34a_100000749362_100011215938 [0,2,0,0,0,0|2,0,0]=4 22861 B13R0.340 CCCOCCOCC(C)C(=O)OC 34a_100000752267_100000698445 [0,2,0,0,0,0|2,0,0]=4 22862 B13R0.340 CCCOCCOCC(C)C(=O)OC 7a_100000749362_100011215938 [0,2,0,0,0,0|2,0,0]=4 22863 B13R0.340 CCCOCCOCC(F)C(=O)OC 34a_200009849844_100011215938 [0,2,0,0,0,0|2,0,0]=4 22864 B13R0.340 CCCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215938 [0,2,0,0,0,0|2,0,0]=4 22865 B13R0.340 CCCOCCSCC(C)C(=O)OC 62a_100000698445_100011215938 [0,2,0,0,0,0|2,0,0]=4 22866 B13R0.340 CCCOCCSCC(C)C(=O)OC 62a_100011215938_100000698445 [0,2,0,0,0,0|2,0,0]=4 22867 B13R0.340 CCCSCCOCC(C)C(=O)OC 34a_200000230433_100000698445 [0,2,0,0,0,0|2,0,0]=4 22868 B13R0.340 CCOCCCNCC(C)C(=O)NC 2230a_100015187722_100012232248 [0,2,0,0,0,0|2,0,0]=4 22869 B13R0.340 CCOCCCNCC(C)C(=O)NC 34a_100015187722_100012232248 [0,2,0,0,0,0|2,0,0]=4 22870 B13R0.340 CCOCCCNCC(C)C(=O)OC 34a_100000210961_100000698445 [0,2,0,0,0,0|2,0,0]=4 22871 B13R0.340 CCOCCCOCC(C)C(=O)OC 34a_100000749362_100012232248 [0,2,0,0,0,0|2,0,0]=4 22872 B13R0.340 CCOCCCOCC(C)C(=O)OC 34a_100000757476_100000698445 [0,2,0,0,0,0|2,0,0]=4 22873 B13R0.340 CCOCCCOCC(C)C(=O)OC 7a_100000749362_100012232248 [0,2,0,0,0,0|2,0,0]=4 22874 B13R0.340 CCOCCCOCC(F)C(=O)OC 34a_200009849844_100012232248 [0,2,0,0,0,0|2,0,0]=4 22875 B13R0.340 CCOCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100012232248 [0,2,0,0,0,0|2,0,0]=4 22876 B13R0.340 CCOCCCSCC(C)C(=O)OC 62a_100000698445_100012232248 [0,2,0,0,0,0|2,0,0]=4 22877 B13R0.340 CCOCCCSCC(C)C(=O)OC 62a_100012232248_100000698445 [0,2,0,0,0,0|2,0,0]=4 22878 B13R0.340 CCOCCNCCC(C)C(=O)OC 2230a_102516460346_100000034942 [0,2,0,0,0,0|2,0,0]=4 22879 B13R0.340 CCOCCNCCC(C)C(=O)OC 34a_102516460346_100000034942 [0,2,0,0,0,0|2,0,0]=4 22880 B13R0.340 CCOCCOCCC(C)C(=O)OC 34a_100000210136_100000034942 [0,2,0,0,0,0|2,0,0]=4 22881 B13R0.340 CCOCCOCCC(C)C(=O)OC 7a_100000210136_100000034942 [0,2,0,0,0,0|2,0,0]=4 22882 B13R0.340 CCOCCSCCC(C)C(=O)OC 62a_100000034942_100011215890 [0,2,0,0,0,0|2,0,0]=4 22883 B13R0.340 CCOCCSCCC(C)C(=O)OC 62a_100000210147_100000034942 [0,2,0,0,0,0|2,0,0]=4 22884 B13R0.340 CCSCCCOCC(C)C(=O)OC 34a_100011216438_100000698445 [0,2,0,0,0,0|2,0,0]=4 22885 B13R0.340 CCSCCNCCC(C)C(=O)OC 2230a_100000106463_100000034942 [0,2,0,0,0,0|2,0,0]=4 22886 B13R0.340 CCSCCOCCC(C)C(=O)OC 34a_100000212035_100000034942 [0,2,0,0,0,0|2,0,0]=4 22887 B13R0.340 CCSCCOCCC(C)C(=O)OC 7a_100000212035_100000034942 [0,2,0,0,0,0|2,0,0]=4 22888 B13R0.340 CCSCCSCCC(C)C(=O)OC 62a_100000034942_100000757381 [0,2,0,0,0,0|2,0,0]=4 22889 B13R0.340 CCSCCSCCC(C)C(=O)OC 62a_100000757381_100000034942 [0,2,0,0,0,0|2,0,0]=4 22890 B13R0.340 CNC(=O)C(=O)CCCCCCCO 1458a_100011218921_100000760002 [0,2,0,0,0,0|1,0,1]=4 22891 B13R0.340 CNC(=O)C(=O)CCCCCCOC 1458a_100011218921_100011998445 [0,2,0,0,0,0|1,0,1]=4 22892 B13R0.340 CNC(=O)C(C)CNCCCCCF 2230a_100015187722_100000729378 [0,2,0,0,0,0|2,0,0]=4 22893 B13R0.340 CNC(=O)C(C)CNCCCCCF 34a_100015187722_100000729378 [0,2,0,0,0,0|2,0,0]=4 22894 B13R0.340 CNC(=O)C(C)CNCCCCCO 2230a_100015187722_100000746330 [0,2,0,0,0,0|2,0,0]=4 22895 B13R0.340 CNC(=O)C(C)CNCCCCCO 34a_100015187722_100000746330 [0,2,0,0,0,0|2,0,0]=4 22896 B13R0.340 CNC(=O)C(C)CNCCCCOC 2230a_100015187722_100000730899 [0,2,0,0,0,0|2,0,0]=4 22897 B13R0.340 CNC(=O)C(C)CNCCCCOC 34a_100015187722_100000755781 [0,2,0,0,0,0|2,0,0]=4 22898 B13R0.340 CNC(=O)C(C)NCCCCCCO 2230a_100000686447_100000731044 [0,2,0,0,0,0|2,0,0]=4 22899 B13R0.340 CNC(=O)C(C)NCCCCCCO 34a_100000686447_100000731044 [0,2,0,0,0,0|2,0,0]=4 22900 B13R0.340 CNC(=O)C(C)NCCCCCOC 2230a_100000747528_100000731044 [0,2,0,0,0,0|2,0,0]=4 22901 B13R0.340 CNC(=O)C(C)NCCCCCOC 34a_100000747528_100000731044 [0,2,0,0,0,0|2,0,0]=4 22902 B13R0.340 CNC(=O)C(C)OCCCCCCBr 34a_100011215345_100000731044 [0,2,0,0,0,0|2,0,0]=4 22903 B13R0.340 CNC(=O)C(C)OCCCCCCBr 7a_100011215345_100000209862 [0,2,0,0,0,0|2,0,0]=4 22904 B13R0.340 CNC(=O)C(C)OCCCCCCCl 34a_100000766143_100000731044 [0,2,0,0,0,0|2,0,0]=4 22905 B13R0.340 CNC(=O)C(C)OCCCCCCCl 7a_100000766143_100000209862 [0,2,0,0,0,0|2,0,0]=4 22906 B13R0.340 CNC(=O)C(C)OCCCCCCF 34a_100000732779_100000731044 [0,2,0,0,0,0|2,0,0]=4 22907 B13R0.340 CNC(=O)C(C)OCCCCCCF 7a_100000732779_100000209862 [0,2,0,0,0,0|2,0,0]=4 22908 B13R0.340 CNC(=O)C(C)OCCCCCCN 34a_100000686447_100000731044 [0,2,0,0,0,0|2,0,0]=4 22909 B13R0.340 CNC(=O)C(C)SCCCCCCF 62a_100000209862_100015922095 [0,2,0,0,0,0|2,0,0]=4 22910 B13R0.340 CNC(=O)C(C)SCCCCCCF 62a_100015922095_100000731044 [0,2,0,0,0,0|2,0,0]=4 22911 B13R0.340 CNC(=O)C(C)SCCCCCCO 62a_100000209862_100000766143 [0,2,0,0,0,0|2,0,0]=4 22912 B13R0.340 CNC(=O)C(C)SCCCCCCO 62a_100000766143_100000731044 [0,2,0,0,0,0|2,0,0]=4 22913 B13R0.340 CNC(=O)C(F)NCCCCCCO 2230a_100000686447_100009813575 [0,2,0,0,0,0|2,0,0]=4 22914 B13R0.340 CNC(=O)C(F)NCCCCCCO 34a_100000686447_100009813575 [0,2,0,0,0,0|2,0,0]=4 22915 B13R0.340 CNC(=O)C(F)NCCCCCOC 2230a_100000747528_100009813575 [0,2,0,0,0,0|2,0,0]=4 22916 B13R0.340 CNC(=O)C(F)NCCCCCOC 34a_100000747528_100009813575 [0,2,0,0,0,0|2,0,0]=4 22917 B13R0.340 CNC(=O)C(F)OCCCCCCBr 34a_100011215345_100009813575 [0,2,0,0,0,0|2,0,0]=4 22918 B13R0.340 CNC(=O)C(F)OCCCCCCBr 7a_100011215345_100009813575 [0,2,0,0,0,0|2,0,0]=4 22919 B13R0.340 CNC(=O)C(F)OCCCCCCCl 34a_100000766143_100009813575 [0,2,0,0,0,0|2,0,0]=4 22920 B13R0.340 CNC(=O)C(F)OCCCCCCCl 7a_100000766143_100009813575 [0,2,0,0,0,0|2,0,0]=4 22921 B13R0.340 CNC(=O)C(F)OCCCCCCF 34a_100000732779_100009813575 [0,2,0,0,0,0|2,0,0]=4 22922 B13R0.340 CNC(=O)C(F)OCCCCCCF 7a_100000732779_100009813575 [0,2,0,0,0,0|2,0,0]=4 22923 B13R0.340 CNC(=O)C(F)OCCCCCCN 34a_100000686447_100009813575 [0,2,0,0,0,0|2,0,0]=4 22924 B13R0.340 CNC(=O)C(F)SCCCCCCF 62a_100009813575_100015922095 [0,2,0,0,0,0|2,0,0]=4 22925 B13R0.340 CNC(=O)C(F)SCCCCCCF 62a_100015922095_100009813575 [0,2,0,0,0,0|2,0,0]=4 22926 B13R0.340 CNC(=O)C(F)SCCCCCCO 62a_100000766143_100009813575 [0,2,0,0,0,0|2,0,0]=4 22927 B13R0.340 CNC(=O)C(F)SCCCCCCO 62a_100009813575_100000766143 [0,2,0,0,0,0|2,0,0]=4 22928 B13R0.340 CNC(=O)[C@@H](C)NCCCCCCF 2230a_100000684985_100015922095 [0,2,0,0,0,0|2,0,0]=4 22929 B13R0.340 CNC(=O)[C@@H](C)NCCCCCCF 34a_100000684985_100015922095 [0,2,0,0,0,0|2,0,0]=4 22930 B13R0.340 CNC(=O)[C@@H](C)NCCCCCCO 2230a_100000684985_100000766143 [0,2,0,0,0,0|2,0,0]=4 22931 B13R0.340 CNC(=O)[C@@H](C)NCCCCCCO 34a_100000684985_100000766143 [0,2,0,0,0,0|2,0,0]=4 22932 B13R0.340 CNCCCCCOC(C)C(=O)NC 34a_100000722520_100000731044 [0,2,0,0,0,0|2,0,0]=4 22933 B13R0.340 CNCCCCCOC(C)C(=O)OC 34a_100000722520_100000211248 [0,2,0,0,0,0|2,0,0]=4 22934 B13R0.340 CNCCCCCOC(F)C(=O)NC 34a_100000722520_100009813575 [0,2,0,0,0,0|2,0,0]=4 22935 B13R0.340 CNCCCOCCC(C)C(=O)OC 34a_100000213112_100000034942 [0,2,0,0,0,0|2,0,0]=4 22936 B13R0.340 COC(=O)C(C)CCNCCCCO 2230a_100000750430_100000034942 [0,2,0,0,0,0|2,0,0]=4 22937 B13R0.340 COC(=O)C(C)CCNCCCCO 34a_100000750430_100000034942 [0,2,0,0,0,0|2,0,0]=4 22938 B13R0.340 COC(=O)C(C)CCNCCCSC 2230a_100000749238_100000034942 [0,2,0,0,0,0|2,0,0]=4 22939 B13R0.340 COC(=O)C(C)CCOCCCCBr 34a_100011216708_100000034942 [0,2,0,0,0,0|2,0,0]=4 22940 B13R0.340 COC(=O)C(C)CCOCCCCCl 34a_100000210776_100000034942 [0,2,0,0,0,0|2,0,0]=4 22941 B13R0.340 COC(=O)C(C)CCOCCCCCl 7a_100000210776_100000034942 [0,2,0,0,0,0|2,0,0]=4 22942 B13R0.340 COC(=O)C(C)CCOCCCCF 34a_100011995726_100000034942 [0,2,0,0,0,0|2,0,0]=4 22943 B13R0.340 COC(=O)C(C)CCOCCCCF 7a_100011995726_100000034942 [0,2,0,0,0,0|2,0,0]=4 22944 B13R0.340 COC(=O)C(C)CCOCCCCI 34a_200012148704_100000034942 [0,2,0,0,0,0|2,0,0]=4 22945 B13R0.340 COC(=O)C(C)CCOCCCCN 34a_100000750430_100000034942 [0,2,0,0,0,0|2,0,0]=4 22946 B13R0.340 COC(=O)C(C)CCOCCCSC 34a_100000690336_100000034942 [0,2,0,0,0,0|2,0,0]=4 22947 B13R0.340 COC(=O)C(C)CCOCCCSC 7a_100000690336_100000034942 [0,2,0,0,0,0|2,0,0]=4 22948 B13R0.340 COC(=O)C(C)CCSCCCCF 62a_100000034942_100000729493 [0,2,0,0,0,0|2,0,0]=4 22949 B13R0.340 COC(=O)C(C)CCSCCCCF 62a_100000729493_100000034942 [0,2,0,0,0,0|2,0,0]=4 22950 B13R0.340 COC(=O)C(C)CCSCCCCO 62a_100000034942_100000210776 [0,2,0,0,0,0|2,0,0]=4 22951 B13R0.340 COC(=O)C(C)CCSCCCCO 62a_100000210776_100000034942 [0,2,0,0,0,0|2,0,0]=4 22952 B13R0.340 COC(=O)C(C)CNCCCCCO 34a_100000762737_100000698445 [0,2,0,0,0,0|2,0,0]=4 22953 B13R0.340 COC(=O)C(C)COCCCCCBr 34a_100000746331_100000698445 [0,2,0,0,0,0|2,0,0]=4 22954 B13R0.340 COC(=O)C(C)COCCCCCCl 34a_100000746330_100000698445 [0,2,0,0,0,0|2,0,0]=4 22955 B13R0.340 COC(=O)C(C)COCCCCCF 34a_100000749362_100000729378 [0,2,0,0,0,0|2,0,0]=4 22956 B13R0.340 COC(=O)C(C)COCCCCCF 7a_100000749362_100000729378 [0,2,0,0,0,0|2,0,0]=4 22957 B13R0.340 COC(=O)C(C)COCCCCCI 34a_200012148887_100000698445 [0,2,0,0,0,0|2,0,0]=4 22958 B13R0.340 COC(=O)C(C)COCCCCCN 34a_100000762737_100000698445 [0,2,0,0,0,0|2,0,0]=4 22959 B13R0.340 COC(=O)C(C)COCCCCCO 34a_100000749362_100000746330 [0,2,0,0,0,0|2,0,0]=4 22960 B13R0.340 COC(=O)C(C)COCCCCCO 7a_100000749362_100000746330 [0,2,0,0,0,0|2,0,0]=4 22961 B13R0.340 COC(=O)C(C)COCCCCSC 34a_100011217163_100000698445 [0,2,0,0,0,0|2,0,0]=4 22962 B13R0.340 COC(=O)C(C)CSCCCCCF 62a_100000698445_100000729378 [0,2,0,0,0,0|2,0,0]=4 22963 B13R0.340 COC(=O)C(C)CSCCCCCF 62a_100000729378_100000698445 [0,2,0,0,0,0|2,0,0]=4 22964 B13R0.340 COC(=O)C(C)CSCCCCCO 62a_100000698445_100000746330 [0,2,0,0,0,0|2,0,0]=4 22965 B13R0.340 COC(=O)C(C)CSCCCCCO 62a_100000746330_100000698445 [0,2,0,0,0,0|2,0,0]=4 22966 B13R0.340 COC(=O)C(C)NCCCCCCO 2230a_100000686447_100000211248 [0,2,0,0,0,0|2,0,0]=4 22967 B13R0.340 COC(=O)C(C)NCCCCCCO 34a_100000686447_100000211248 [0,2,0,0,0,0|2,0,0]=4 22968 B13R0.340 COC(=O)C(C)OCCCCCCBr 34a_100011215345_100000211248 [0,2,0,0,0,0|2,0,0]=4 22969 B13R0.340 COC(=O)C(C)OCCCCCCBr 7a_100011215345_100000211248 [0,2,0,0,0,0|2,0,0]=4 22970 B13R0.340 COC(=O)C(C)OCCCCCCCl 34a_100000766143_100000211248 [0,2,0,0,0,0|2,0,0]=4 22971 B13R0.340 COC(=O)C(C)OCCCCCCCl 7a_100000766143_100000211248 [0,2,0,0,0,0|2,0,0]=4 22972 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100000732779_100000211248 [0,2,0,0,0,0|2,0,0]=4 22973 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100011215400_100015922095 [0,2,0,0,0,0|2,0,0]=4 22974 B13R0.340 COC(=O)C(C)OCCCCCCF 7a_100000732779_100000211248 [0,2,0,0,0,0|2,0,0]=4 22975 B13R0.340 COC(=O)C(C)OCCCCCCN 34a_100000686447_100000211248 [0,2,0,0,0,0|2,0,0]=4 22976 B13R0.340 COC(=O)C(C)OCCCCCCO 34a_100011215400_100000766143 [0,2,0,0,0,0|2,0,0]=4 22977 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100000211248_100015922095 [0,2,0,0,0,0|2,0,0]=4 22978 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100015922095_100000211248 [0,2,0,0,0,0|2,0,0]=4 22979 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000211248_100000766143 [0,2,0,0,0,0|2,0,0]=4 22980 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000766143_100000211248 [0,2,0,0,0,0|2,0,0]=4 22981 B13R0.340 COC(=O)C(F)COCCCCCF 34a_200009849844_100000729378 [0,2,0,0,0,0|2,0,0]=4 22982 B13R0.340 COC(=O)C(F)COCCCCCO 34a_200009849844_100000746330 [0,2,0,0,0,0|2,0,0]=4 22983 B13R0.340 COC(=O)[C@H](N)COCCCCCF 34a_100000003586_100000729378 [0,2,0,0,0,0|2,0,0]=4 22984 B13R0.340 COC(=O)[C@H](N)COCCCCCO 34a_100000003586_100000746330 [0,2,0,0,0,0|2,0,0]=4 22985 B13R0.340 COCCCCCNC(C)C(=O)OC 2230a_100000747528_100000211248 [0,2,0,0,0,0|2,0,0]=4 22986 B13R0.340 COCCCCCNC(C)C(=O)OC 34a_100000747528_100000211248 [0,2,0,0,0,0|2,0,0]=4 22987 B13R0.340 COCCCCOCC(C)C(=O)OC 34a_100000740925_100000698445 [0,2,0,0,0,0|2,0,0]=4 22988 B13R0.340 COCCCCOCC(C)C(=O)OC 34a_100000749362_100000755781 [0,2,0,0,0,0|2,0,0]=4 22989 B13R0.340 COCCCCOCC(C)C(=O)OC 7a_100000749362_100000730899 [0,2,0,0,0,0|2,0,0]=4 22990 B13R0.340 COCCCCOCC(F)C(=O)OC 34a_200009849844_100000755781 [0,2,0,0,0,0|2,0,0]=4 22991 B13R0.340 COCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000755781 [0,2,0,0,0,0|2,0,0]=4 22992 B13R0.340 COCCCCSCC(C)C(=O)OC 62a_100000698445_100000730899 [0,2,0,0,0,0|2,0,0]=4 22993 B13R0.340 COCCCCSCC(C)C(=O)OC 62a_100000730899_100000698445 [0,2,0,0,0,0|2,0,0]=4 22994 B13R0.340 COCCCNCCC(C)C(=O)OC 34a_100150723488_100000034942 [0,2,0,0,0,0|2,0,0]=4 22995 B13R0.340 COCCCOCCC(C)C(=O)OC 34a_100000740835_100000034942 [0,2,0,0,0,0|2,0,0]=4 22996 B13R0.340 COCCCSCCC(C)C(=O)OC 62a_100000034942_100000709357 [0,2,0,0,0,0|2,0,0]=4 22997 B13R0.340 COCCCSCCC(C)C(=O)OC 62a_100000709357_100000034942 [0,2,0,0,0,0|2,0,0]=4 22998 B13R0.412 CCCCCCCCCN(CC)CC 2230a_100000724800_100011214924 [0,2,0,0,0,0|2,0,0]=4 22999 B13R0.412 CCCCCCCCCN(CC)CC 269956a_100000042499_100000210670 [0,2,0,0,0,0|2,0,0]=4 23000 B13R0.412 CCCCCCCCCN(CC)CC 269982a_100000724800_100000210670 [0,2,0,0,0,0|2,0,0]=4 23001 B13R0.412 CCCCOCCCCN(CC)N=O 34a_200000035056_100000210210 [0,2,0,0,0,0|2,0,0]=4 23002 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [0,2,0,0,0,0|0,0,1]=3 23003 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [0,2,0,0,0,0|0,0,1]=3 23004 B13R0.1170 CCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210757 [0,2,0,0,0,0|1,0,1]=4 23005 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [0,2,0,0,0,0|1,0,1]=4 23006 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [0,2,0,0,0,0|1,0,1]=4 23007 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 11a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 23008 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 23009 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 527a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 23010 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [0,2,0,0,0,0|1,0,1]=4 23011 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000210919_100000183359 [0,2,0,0,0,0|1,0,0]=3 23012 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000693194_100011215978 [0,2,0,0,0,0|1,0,0]=3 23013 B13R0.1170 CCCCCCC(C)NCC(=O)NC 270004a_100000693194_100000210826 [0,2,0,0,0,0|1,0,0]=3 23014 B13R0.1170 CCCCCCC(C)NCC(=O)NC 34a_100000210919_100000183359 [0,2,0,0,0,0|1,0,0]=3 23015 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [0,2,0,0,0,0|1,0,0]=3 23016 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [0,2,0,0,0,0|1,0,0]=3 23017 B13R0.1170 CCCCCCC(C)OCC(=O)CC 34a_100000725409_100011215978 [0,2,0,0,0,0|1,0,0]=3 23018 B13R0.1170 CCCCCCC(C)OCC(=O)CC 7a_100000210265_100000747405 [0,2,0,0,0,0|1,0,0]=3 23019 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000210265_100000183359 [0,2,0,0,0,0|1,0,0]=3 23020 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000750040_100011215978 [0,2,0,0,0,0|1,0,0]=3 23021 B13R0.1170 CCCCCCC(C)OCC(=O)NC 7a_100000210265_100000183359 [0,2,0,0,0,0|1,0,0]=3 23022 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [0,2,0,0,0,0|1,0,0]=3 23023 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [0,2,0,0,0,0|1,0,0]=3 23024 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100000747405_100011215978 [0,2,0,0,0,0|1,0,0]=3 23025 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100011215978_100000747405 [0,2,0,0,0,0|1,0,0]=3 23026 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100000183359_100011215978 [0,2,0,0,0,0|1,0,0]=3 23027 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100011215978_100000183359 [0,2,0,0,0,0|1,0,0]=3 23028 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [0,2,0,0,0,0|1,0,0]=3 23029 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [0,2,0,0,0,0|1,0,0]=3 23030 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210314 [0,2,0,0,0,0|1,0,0]=3 23031 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_106256046315_100000737683 [0,2,0,0,0,0|1,0,0]=3 23032 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210757 [0,2,0,0,0,0|1,0,0]=3 23033 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_106256046315_100000737683 [0,2,0,0,0,0|1,0,0]=3 23034 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [0,2,0,0,0,0|1,0,0]=3 23035 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [0,2,0,0,0,0|1,0,0]=3 23036 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [0,2,0,0,0,0|1,0,0]=3 23037 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 11a_100000209983_100011309844 [0,2,0,0,0,0|1,0,1]=4 23038 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 1626a_100000209983_100011309844 [0,2,0,0,0,0|1,0,1]=4 23039 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 240690a_100000209983_100011309844 [0,2,0,0,0,0|1,0,1]=4 23040 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 527a_100000209983_100011309844 [0,2,0,0,0,0|1,0,1]=4 23041 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 11a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 23042 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 1626a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 23043 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 240690a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 23044 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 527a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 23045 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 2230a_100000102301_100000691467 [0,2,0,0,0,0|1,0,1]=4 23046 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 7a_106832991798_100000691467 [0,2,0,0,0,0|1,0,1]=4 23047 B13R0.1170 CCCCOCC(=O)CCC(=O)NC 1458a_100011309844_100011995733 [0,2,0,0,0,0|1,0,1]=4 23048 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [0,2,0,0,0,0|1,0,1]=4 23049 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 23050 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 23051 B13R0.1170 CCCCOCC(C)OCC(=O)CC 7a_100011217071_100000747405 [0,2,0,0,0,0|2,0,0]=4 23052 B13R0.1170 CCCCOCC(C)OCC(=O)NC 34a_100011217071_100000183359 [0,2,0,0,0,0|2,0,0]=4 23053 B13R0.1170 CCCCOCC(C)OCC(=O)NC 7a_100011217071_100000183359 [0,2,0,0,0,0|2,0,0]=4 23054 B13R0.1170 CCCCOCC(C)OCC(=O)OC 34a_100011217071_100000747449 [0,2,0,0,0,0|2,0,0]=4 23055 B13R0.1170 CCCCOCC(C)OCC(=O)OC 7a_100011217071_100000747449 [0,2,0,0,0,0|2,0,0]=4 23056 B13R0.1170 CCCCOCN(C)CCC(=O)NC 2230a_100000750875_100011995733 [0,2,0,0,0,0|2,0,0]=4 23057 B13R0.1170 CCCCOCN(C)CCC(=O)NC 269982a_100000750875_100011995733 [0,2,0,0,0,0|2,0,0]=4 23058 B13R0.1170 CCCCOCN(C)CCC(=O)OC 269982a_100025711912_100011995733 [0,2,0,0,0,0|2,0,0]=4 23059 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000210211_100000691467 [0,2,0,0,0,0|1,0,1]=4 23060 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210210 [0,2,0,0,0,0|1,0,1]=4 23061 B13R0.1170 CCCOCCC(=O)CCC(=O)NC 1458a_100011309844_100011215938 [0,2,0,0,0,0|1,0,1]=4 23062 B13R0.1170 CCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215938 [0,2,0,0,0,0|1,0,1]=4 23063 B13R0.1170 CCCOCCN(C)CCC(=O)NC 2230a_100000750875_100011215938 [0,2,0,0,0,0|2,0,0]=4 23064 B13R0.1170 CCCOCCN(C)CCC(=O)NC 269982a_100000750875_100011215938 [0,2,0,0,0,0|2,0,0]=4 23065 B13R0.1170 CCCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215938 [0,2,0,0,0,0|2,0,0]=4 23066 B13R0.1170 CCOCCCC(=O)CCC(=O)NC 1458a_100011309844_100012232248 [0,2,0,0,0,0|1,0,1]=4 23067 B13R0.1170 CCOCCCC(=O)CCC(=O)OC 1458a_100000187943_100012232248 [0,2,0,0,0,0|1,0,1]=4 23068 B13R0.1170 CCOCCCN(C)CCC(=O)NC 2230a_100000750875_100012232248 [0,2,0,0,0,0|2,0,0]=4 23069 B13R0.1170 CCOCCCN(C)CCC(=O)NC 269982a_100000750875_100012232248 [0,2,0,0,0,0|2,0,0]=4 23070 B13R0.1170 CCOCCCN(C)CCC(=O)OC 269982a_100025711912_100012232248 [0,2,0,0,0,0|2,0,0]=4 23071 B13R0.1170 CNC(=O)CCC(=O)CCCCCF 1458a_100011309844_100000729378 [0,2,0,0,0,0|1,0,1]=4 23072 B13R0.1170 CNC(=O)CCC(=O)CCCCCO 1458a_100011309844_100000746330 [0,2,0,0,0,0|1,0,1]=4 23073 B13R0.1170 CNC(=O)CCC(=O)CCCCOC 1458a_100011309844_100000755781 [0,2,0,0,0,0|1,0,1]=4 23074 B13R0.1170 CNC(=O)CCN(C)CCCCCF 2230a_100000750875_100000729378 [0,2,0,0,0,0|2,0,0]=4 23075 B13R0.1170 CNC(=O)CCN(C)CCCCCF 269982a_100000750875_100000729378 [0,2,0,0,0,0|2,0,0]=4 23076 B13R0.1170 CNC(=O)CCN(C)CCCCCO 2230a_100000722520_100000737683 [0,2,0,0,0,0|2,0,0]=4 23077 B13R0.1170 CNC(=O)CCN(C)CCCCCO 2230a_100000750875_100000746330 [0,2,0,0,0,0|2,0,0]=4 23078 B13R0.1170 CNC(=O)CCN(C)CCCCCO 269982a_100000722520_100000737683 [0,2,0,0,0,0|2,0,0]=4 23079 B13R0.1170 CNC(=O)CCN(C)CCCCCO 269982a_100000750875_100000746330 [0,2,0,0,0,0|2,0,0]=4 23080 B13R0.1170 CNC(=O)CCN(C)CCCCOC 2230a_100000750875_100000730899 [0,2,0,0,0,0|2,0,0]=4 23081 B13R0.1170 CNC(=O)CCN(C)CCCCOC 269982a_100000750875_100000730899 [0,2,0,0,0,0|2,0,0]=4 23082 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [0,2,0,0,0,0|1,0,1]=4 23083 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [0,2,0,0,0,0|1,0,1]=4 23084 B13R0.1170 COC(=O)CCN(C)CCCCCF 269982a_100025711912_100000729378 [0,2,0,0,0,0|2,0,0]=4 23085 B13R0.1170 COC(=O)CCN(C)CCCCCO 2230a_100000722520_100000204255 [0,2,0,0,0,0|2,0,0]=4 23086 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100000722520_100000204255 [0,2,0,0,0,0|2,0,0]=4 23087 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100025711912_100000746330 [0,2,0,0,0,0|2,0,0]=4 23088 B13R0.1170 COCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000755781 [0,2,0,0,0,0|1,0,1]=4 23089 B13R0.1170 COCCCCN(C)CCC(=O)OC 269982a_100025711912_100000730899 [0,2,0,0,0,0|2,0,0]=4 23090 B13R0.61 C=C[C@H](NCCCCCCC)C(=O)O 269956a_100016992060_100000210614 [0,2,0,0,0,0|2,0,0]=4 23091 B13R0.61 CCCCCCCCC(CC)N(C)C 270004a_100102631434_200011217995 [0,2,0,0,0,0|2,0,0]=4 23092 B13R0.61 CCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100000210681 [0,2,0,0,0,0|2,0,0]=4 23093 B13R0.61 CCCCCCCNC(CC)C(=O)N 2230a_100000229938_100000750255 [0,2,0,0,0,0|2,0,0]=4 23094 B13R0.61 CCCCCCCNC(CC)C(=O)N 2230a_100000733705_100000210681 [0,2,0,0,0,0|2,0,0]=4 23095 B13R0.61 CCCCCCCNC(CC)C(=O)N 34a_100000733705_100000210614 [0,2,0,0,0,0|2,0,0]=4 23096 B13R0.61 CCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210614 [0,2,0,0,0,0|2,0,0]=4 23097 B13R0.61 CCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210681 [0,2,0,0,0,0|2,0,0]=4 23098 B13R0.61 CCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210614 [0,2,0,0,0,0|2,0,0]=4 23099 B13R0.61 CCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210614 [0,2,0,0,0,0|2,0,0]=4 23100 B13R0.61 CCCCCCCOC(CC)C(=O)N 34a_100000210272_100000750255 [0,2,0,0,0,0|2,0,0]=4 23101 B13R0.61 CCCCCCCOC(CC)C(=O)N 7a_100000210272_100000750255 [0,2,0,0,0,0|2,0,0]=4 23102 B13R0.61 CCCCCCCSC(CC)C(=O)N 62a_100000210614_100000750255 [0,2,0,0,0,0|2,0,0]=4 23103 B13R0.61 CCCCCCCSC(CC)C(=O)N 62a_100000750255_100000210316 [0,2,0,0,0,0|2,0,0]=4 23104 B13R0.91 CCCC(C)CCCOC(C)C(=O)C 7a_100011713154_100000179758 [0,2,0,0,0,0|1,0,0]=3 23105 B13R0.91 CCCC(C)CCCOC(C)C(=O)N 34a_100011713154_100000702099 [0,2,0,0,0,0|2,0,0]=4 23106 B13R0.91 CCCC(C)CCCOC(C)C(=O)N 7a_100011713154_100000702099 [0,2,0,0,0,0|2,0,0]=4 23107 B13R0.91 CCCC(C)CCCOC(F)C(=O)N 34a_100011713154_100009813875 [0,2,0,0,0,0|2,0,0]=4 23108 B13R0.91 CCCC(C)CCCOC(F)C(=O)N 7a_100011713154_100009813875 [0,2,0,0,0,0|2,0,0]=4 23109 B13R0.91 CCCC(C)CCCOC(F)C(=O)[O-] 34a_100011713154_100020610796 [0,2,0,0,0,0|2,0,0]=4 23110 B13R0.91 CCCC(C)CCOCC(=O)C(=O)C 34a_100011217855_100011261029 [0,2,0,0,0,0|1,0,1]=4 23111 B13R0.91 CCC[C@H](N)CCOCC(=O)C(=O)C 34a_100015193777_100011261029 [0,2,0,0,0,0|1,0,1]=4 23112 B13R0.284 C=C(C)C(C)NC(C)CCCCCC 269862a_100000210919_100011216138 [0,2,0,0,0,0|2,0,0]=4 23113 B13R0.284 CCCCCCC(=O)CC(=O)C(=O)C 1458a_100102632555_100011261029 [0,2,0,0,0,0|0,0,2]=4 23114 B13R0.284 CCCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210757 [0,2,0,0,0,0|1,0,1]=4 23115 B13R0.284 CCCCCCC(C)NC(C)C(=O)C 2230a_100000210919_100009814033 [0,2,0,0,0,0|1,0,0]=3 23116 B13R0.284 CCCCCCC(C)NC(C)C(=O)N 2230a_100000210919_100000702099 [0,2,0,0,0,0|2,0,0]=4 23117 B13R0.284 CCCCCCC(C)NC(C)C(=O)N 34a_100000210919_100000702099 [0,2,0,0,0,0|2,0,0]=4 23118 B13R0.284 CCCCCCC(C)NC(F)C(=O)N 2230a_100000210919_100009813875 [0,2,0,0,0,0|2,0,0]=4 23119 B13R0.284 CCCCCCC(C)NC(F)C(=O)N 34a_100000210919_100009813875 [0,2,0,0,0,0|2,0,0]=4 23120 B13R0.284 CCCCCCC(C)NC(F)C(=O)[O-] 34a_100000210919_100020610796 [0,2,0,0,0,0|2,0,0]=4 23121 B13R0.284 CCCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215978 [0,2,0,0,0,0|2,0,0]=4 23122 B13R0.284 CCCCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100011215978 [0,2,0,0,0,0|2,0,0]=4 23123 B13R0.284 CCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210826 [0,2,0,0,0,0|2,0,0]=4 23124 B13R0.284 CCCCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215978 [0,2,0,0,0,0|2,0,0]=4 23125 B13R0.284 CCCCCCC(C)OC(C)C(=O)C 34a_100000212229_100011215978 [0,2,0,0,0,0|1,0,0]=3 23126 B13R0.284 CCCCCCC(C)OC(C)C(=O)C 7a_100000210265_100000179758 [0,2,0,0,0,0|1,0,0]=3 23127 B13R0.284 CCCCCCC(C)OC(C)C(=O)N 34a_100000210265_100000702099 [0,2,0,0,0,0|2,0,0]=4 23128 B13R0.284 CCCCCCC(C)OC(C)C(=O)N 7a_100000210265_100000702099 [0,2,0,0,0,0|2,0,0]=4 23129 B13R0.284 CCCCCCC(C)OC(F)C(=O)N 34a_100000210265_100009813875 [0,2,0,0,0,0|2,0,0]=4 23130 B13R0.284 CCCCCCC(C)OC(F)C(=O)N 7a_100000210265_100009813875 [0,2,0,0,0,0|2,0,0]=4 23131 B13R0.284 CCCCCCC(C)OC(F)C(=O)[O-] 34a_100000210265_100020610796 [0,2,0,0,0,0|2,0,0]=4 23132 B13R0.284 CCCCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100011215978 [0,2,0,0,0,0|2,0,0]=4 23133 B13R0.284 CCCCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215978 [0,2,0,0,0,0|2,0,0]=4 23134 B13R0.284 CCCCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_100011215978 [0,2,0,0,0,0|2,0,0]=4 23135 B13R0.284 CCCCCCC(C)SC(C)C(=O)C 62a_100009814033_100011215978 [0,2,0,0,0,0|1,0,0]=3 23136 B13R0.284 CCCCCCC(C)SC(C)C(=O)C 62a_100011215978_100009814033 [0,2,0,0,0,0|1,0,0]=3 23137 B13R0.284 CCCCCCC(C)SC(C)C(=O)N 62a_100000702099_100011215978 [0,2,0,0,0,0|2,0,0]=4 23138 B13R0.284 CCCCCCC(C)SC(C)C(=O)N 62a_100011215978_100000702099 [0,2,0,0,0,0|2,0,0]=4 23139 B13R0.284 CCCCCCC(C)SC(F)C(=O)N 62a_100009813875_100011215978 [0,2,0,0,0,0|2,0,0]=4 23140 B13R0.284 CCCCCCC(C)SC(F)C(=O)N 62a_100011215978_100009813875 [0,2,0,0,0,0|2,0,0]=4 23141 B13R0.284 CCCCCCC(C)SC(F)C(=O)[O-] 62a_100011215978_100020610796 [0,2,0,0,0,0|2,0,0]=4 23142 B13R0.284 CCCCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_100011215978 [0,2,0,0,0,0|2,0,0]=4 23143 B13R0.284 CCCCCCN(C)CC(=O)C(=O)C 269982a_106256046315_100011261029 [0,2,0,0,0,0|1,0,1]=4 23144 B13R0.284 CCCCOCC(C)OC(C)C(=O)C 7a_100011217071_100000179758 [0,2,0,0,0,0|2,0,0]=4 23145 B13R0.413 CC(=O)C(C)(C)OCCCCCCBr 7a_100011215345_100000075568 [0,2,0,0,0,0|2,0,0]=4 23146 B13R0.413 CC(=O)C(C)(C)OCCCCCCCl 7a_100000766143_100000075568 [0,2,0,0,0,0|2,0,0]=4 23147 B13R0.413 CC(=O)C(C)(C)OCCCCCCF 34a_100000747739_100015922095 [0,2,0,0,0,0|2,0,0]=4 23148 B13R0.413 CC(=O)C(C)(C)OCCCCCCF 7a_100000732779_100000075568 [0,2,0,0,0,0|2,0,0]=4 23149 B13R0.413 CC(=O)C(C)(C)OCCCCCCF 7a_100000747739_100015922095 [0,2,0,0,0,0|2,0,0]=4 23150 B13R0.413 CC(=O)C(C)(C)OCCCCCCO 34a_100000747739_100000766143 [0,2,0,0,0,0|2,0,0]=4 23151 B13R0.413 CC(=O)C(C)(C)OCCCCCCO 7a_100000747739_100000766143 [0,2,0,0,0,0|2,0,0]=4 23152 B13R0.413 CC(=O)C(C)(C)SCCCCCCF 62a_100000075568_100015922095 [0,2,0,0,0,0|2,0,0]=4 23153 B13R0.413 CC(=O)C(C)(C)SCCCCCCF 62a_100015922095_100000075568 [0,2,0,0,0,0|2,0,0]=4 23154 B13R0.413 CC(=O)C(C)(C)SCCCCCCO 62a_100000075568_100000766143 [0,2,0,0,0,0|2,0,0]=4 23155 B13R0.413 CC(=O)C(C)(C)SCCCCCCO 62a_100000766143_100000075568 [0,2,0,0,0,0|2,0,0]=4 23156 B13R0.413 CCCCCCCNC(C)(C)C(=O)N 2230a_100000229938_100000702505 [0,2,0,0,0,0|2,0,0]=4 23157 B13R0.413 CCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210681 [0,2,0,0,0,0|2,0,0]=4 23158 B13R0.413 CCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000210614 [0,2,0,0,0,0|2,0,0]=4 23159 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210614 [0,2,0,0,0,0|1,0,0]=3 23160 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 7a_100000210272_100000075568 [0,2,0,0,0,0|1,0,0]=3 23161 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210614 [0,2,0,0,0,0|1,0,0]=3 23162 B13R0.413 CCCCCCCOC(C)(C)C(=O)N 34a_100000210272_100000702505 [0,2,0,0,0,0|2,0,0]=4 23163 B13R0.413 CCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000210614 [0,2,0,0,0,0|2,0,0]=4 23164 B13R0.413 CCCCCCCOC(C)(C)C(=O)N 7a_100000210272_100000702505 [0,2,0,0,0,0|2,0,0]=4 23165 B13R0.413 CCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210614 [0,2,0,0,0,0|2,0,0]=4 23166 B13R0.413 CCCCCCCOC(F)(F)C(=O)N 7a_100000210272_100009811971 [0,2,0,0,0,0|2,0,0]=4 23167 B13R0.413 CCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210272_100020612412 [0,2,0,0,0,0|2,0,0]=4 23168 B13R0.413 CCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210316 [0,2,0,0,0,0|1,0,0]=3 23169 B13R0.413 CCCCCCCSC(C)(C)C(=O)C 62a_100000210614_100000075568 [0,2,0,0,0,0|1,0,0]=3 23170 B13R0.413 CCCCCCCSC(C)(C)C(=O)N 62a_100000210614_100000702505 [0,2,0,0,0,0|2,0,0]=4 23171 B13R0.413 CCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210316 [0,2,0,0,0,0|2,0,0]=4 23172 B13R0.413 CCCCCCCSC(F)(F)C(=O)N 62a_100000210614_100009811971 [0,2,0,0,0,0|2,0,0]=4 23173 B13R0.413 CCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210316 [0,2,0,0,0,0|2,0,0]=4 23174 B13R0.413 CCCCCCCSC(F)(F)C(=O)[O-] 62a_100000210614_100000745680 [0,2,0,0,0,0|2,0,0]=4 23175 B13R0.413 CCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210316 [0,2,0,0,0,0|2,0,0]=4 23176 B13R0.413 CCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210314 [0,2,0,0,0,0|2,0,0]=4 23177 B13R0.413 CCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210314 [0,2,0,0,0,0|2,0,0]=4 23178 B13R0.413 CCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210757 [0,2,0,0,0,0|2,0,0]=4 23179 B13R0.413 CCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210757 [0,2,0,0,0,0|2,0,0]=4 23180 B13R0.413 CCCCCCOCC(C)(C)C(=O)N 34a_100000210259_200009895572 [0,2,0,0,0,0|2,0,0]=4 23181 B13R0.413 CCCCCCSCC(C)(C)C(=O)N 62a_100000210314_200009895572 [0,2,0,0,0,0|2,0,0]=4 23182 B13R0.413 CCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210757 [0,2,0,0,0,0|2,0,0]=4 23183 B13R0.413 CCCCOCCOC(C)(C)C(=O)C 34a_100000747739_100000743108 [0,2,0,0,0,0|2,0,0]=4 23184 B13R0.413 CCCCOCCOC(C)(C)C(=O)C 7a_100000210238_100000075568 [0,2,0,0,0,0|2,0,0]=4 23185 B13R0.413 CCCCOCCOC(C)(C)C(=O)C 7a_100000747739_100000743108 [0,2,0,0,0,0|2,0,0]=4 23186 B13R0.413 CCCCOCCSC(C)(C)C(=O)C 62a_100000075568_100000743108 [0,2,0,0,0,0|2,0,0]=4 23187 B13R0.413 CCCCOCCSC(C)(C)C(=O)C 62a_100000743108_100000075568 [0,2,0,0,0,0|2,0,0]=4 23188 B13R0.413 CCCCSCCOC(C)(C)C(=O)C 7a_200000230436_100000075568 [0,2,0,0,0,0|2,0,0]=4 23189 B13R0.95 CCCC(C)NCC(C)CSC(=O)C 2230a_100000741246_200000116872 [0,2,0,0,0,0|2,0,0]=4 23190 B13R0.95 CCCC(C)OCC(C)CSC(=O)C 34a_100000764384_200000116872 [0,2,0,0,0,0|2,0,0]=4 23191 B13R0.95 CCCC(C)OCC(C)CSC(=O)C 7a_100000764384_200000116872 [0,2,0,0,0,0|2,0,0]=4 23192 B13R0.95 CCCC(C)OCC(O)COC(=O)C 34a_100000764384_200000139349 [0,2,0,0,0,0|2,0,0]=4 23193 B13R0.95 CCCC(C)OCC(O)COC(=O)C 7a_100000764384_200000139349 [0,2,0,0,0,0|2,0,0]=4 23194 B13R0.95 CCCC(C)SCC(C)CSC(=O)C 62a_100000766640_200000116872 [0,2,0,0,0,0|2,0,0]=4 23195 B13R0.95 CCCC(C)SCC(C)CSC(=O)C 62a_200000116872_100000766640 [0,2,0,0,0,0|2,0,0]=4 23196 B13R0.95 CCCC(C)SCC(O)COC(=O)C 62a_100000766640_200000139349 [0,2,0,0,0,0|2,0,0]=4 23197 B13R0.95 CCCC(C)SCC(O)COC(=O)C 62a_200000139349_100000766640 [0,2,0,0,0,0|2,0,0]=4 23198 B13R0.285 C=C(C)COC(CC)CCCCCC 34a_100011215785_100000748629 [0,2,0,0,0,0|2,0,0]=4 23199 B13R0.285 C=C(C)COC(CC)CCCCCC 7a_100011215785_100000748629 [0,2,0,0,0,0|2,0,0]=4 23200 B13R0.285 C=CC(CCCCCC)OCC(=C)C 34a_200011215977_100000748629 [0,2,0,0,0,0|2,0,0]=4 23201 B13R0.285 C=CC(CCCCCC)OCC(=C)C 7a_200011215977_100000748629 [0,2,0,0,0,0|2,0,0]=4 23202 B13R0.285 C=CC(CCCCCC)OCC(=O)N 34a_200011215977_100000187820 [0,2,0,0,0,0|2,0,0]=4 23203 B13R0.285 C=CC(CCCCCC)OCC(=O)N 7a_200011215977_100000187820 [0,2,0,0,0,0|2,0,0]=4 23204 B13R0.285 C=CC(CCCCCC)OCC(=O)[O-] 34a_200011215977_100020667443 [0,2,0,0,0,0|2,0,0]=4 23205 B13R0.285 CCCCCCC(CC)OCC(=O)N 34a_100011215785_100000187820 [0,2,0,0,0,0|2,0,0]=4 23206 B13R0.285 CCCCCCC(CC)OCC(=O)N 7a_100011215785_100000187820 [0,2,0,0,0,0|2,0,0]=4 23207 B13R0.285 CCCCCCC(CC)OCC(=O)[O-] 34a_100011215785_100020667443 [0,2,0,0,0,0|2,0,0]=4 23208 B13R0.285 CCCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210314 [0,2,0,0,0,0|2,0,0]=4 23209 B13R0.285 CCCCCOC(CCl)COC(=O)C 7a_200000139349_100000210326 [0,2,0,0,0,0|2,0,0]=4 23210 B13R0.1167 C=C(C)COC(C)(C)CCCCCC 7a_200011995690_100000748629 [0,2,0,0,0,0|2,0,0]=4 23211 B13R0.1167 CCCCCCC(C)(C)OCC(=O)N 7a_200011995690_100000187820 [0,2,0,0,0,0|2,0,0]=4 23212 B13R0.231 CC(=O)CCCCOC(C)(C)CCBr 7a_100000702414_100000735457 [0,2,0,0,0,0|2,0,0]=4 23213 B13R0.231 CCCC(C)(C)COCCCC(=O)C 7a_100011995695_100011215641 [0,2,0,0,0,0|1,0,0]=3 23214 B13R0.231 CCCC(C)(C)COCCCC(=O)N 7a_100011995695_100102525003 [0,2,0,0,0,0|2,0,0]=4 23215 B13R0.231 CCCC(C)(C)COCCNC(=O)C 7a_100011995695_100000189650 [0,2,0,0,0,0|2,0,0]=4 23216 B13R0.231 CCCC(C)(C)COCCOC(=O)C 7a_100011995695_100009814007 [0,2,0,0,0,0|2,0,0]=4 23217 B13R0.231 CCCC(C)(C)OCCCCC(=O)C 7a_100000748436_100000735457 [0,2,0,0,0,0|1,0,0]=3 23218 B13R0.231 CCCC(C)(C)OCCCOC(=O)C 7a_100000748436_100000042594 [0,2,0,0,0,0|2,0,0]=4 23219 B13R0.231 CCCC(C)(C)OCCCSC(=O)C 7a_100000748436_100000038929 [0,2,0,0,0,0|2,0,0]=4 23220 B13R0.231 CCNC(C)(C)COCCCC(=O)C 7a_100000747347_100011215641 [0,2,0,0,0,0|2,0,0]=4 23221 B13R0.231 CSCC(C)(C)NCCCCC(=O)C 7a_100000759623_100000735457 [0,2,0,0,0,0|2,0,0]=4 23222 B13R0.313 C#CC(CCC)OCCCCC(=O)C 34a_200011217317_100009817362 [0,2,0,0,0,0|1,0,0]=3 23223 B13R0.313 C#CC(CCC)OCCCCC(=O)C 7a_200011217317_100000735457 [0,2,0,0,0,0|1,0,0]=3 23224 B13R0.313 C#CC(CCC)OCCCOC(=O)C 34a_200011217317_100000042594 [0,2,0,0,0,0|2,0,0]=4 23225 B13R0.313 C#CC(CCC)OCCCOC(=O)C 7a_200011217317_100000042594 [0,2,0,0,0,0|2,0,0]=4 23226 B13R0.313 C#CC(CCC)OCCCSC(=O)C 34a_200011217317_100000038929 [0,2,0,0,0,0|2,0,0]=4 23227 B13R0.313 C#CC(CCC)OCCCSC(=O)C 7a_200011217317_100000038929 [0,2,0,0,0,0|2,0,0]=4 23228 B13R0.313 C=C(C)CCOCCC(CCC)SC 34a_100000032865_100000730704 [0,2,0,0,0,0|2,0,0]=4 23229 B13R0.313 C=C(C)CCOCCC(CCC)SC 7a_100000032865_100000730704 [0,2,0,0,0,0|2,0,0]=4 23230 B13R0.313 C=CC(CCC)OCCCCC(=O)C 34a_100011216692_100009817362 [0,2,0,0,0,0|1,0,0]=3 23231 B13R0.313 C=CC(CCC)OCCCCC(=O)C 7a_100011216692_100000735457 [0,2,0,0,0,0|1,0,0]=3 23232 B13R0.313 C=CC(CCC)OCCCOC(=O)C 34a_100011216692_100000042594 [0,2,0,0,0,0|2,0,0]=4 23233 B13R0.313 C=CC(CCC)OCCCOC(=O)C 7a_100011216692_100000042594 [0,2,0,0,0,0|2,0,0]=4 23234 B13R0.313 C=CC(CCC)OCCCSC(=O)C 34a_100011216692_100000038929 [0,2,0,0,0,0|2,0,0]=4 23235 B13R0.313 C=CC(CCC)OCCCSC(=O)C 7a_100011216692_100000038929 [0,2,0,0,0,0|2,0,0]=4 23236 B13R0.313 CCC(COC)OCCCCC(=O)C 7a_200011214946_100000735457 [0,2,0,0,0,0|2,0,0]=4 23237 B13R0.313 CCCC(C#N)OCCCCC(=O)C 34a_100000686963_100009817362 [0,2,0,0,0,0|1,0,0]=3 23238 B13R0.313 CCCC(C#N)OCCCCC(=O)C 7a_100000686963_100000735457 [0,2,0,0,0,0|1,0,0]=3 23239 B13R0.313 CCCC(C#N)OCCCOC(=O)C 34a_100000686963_100000042594 [0,2,0,0,0,0|2,0,0]=4 23240 B13R0.313 CCCC(C#N)OCCCOC(=O)C 7a_100000686963_100000042594 [0,2,0,0,0,0|2,0,0]=4 23241 B13R0.313 CCCC(C#N)OCCCSC(=O)C 34a_100000686963_100000038929 [0,2,0,0,0,0|2,0,0]=4 23242 B13R0.313 CCCC(C#N)OCCCSC(=O)C 7a_100000686963_100000038929 [0,2,0,0,0,0|2,0,0]=4 23243 B13R0.313 CCCC(CC)NCCCCC(=O)N 270004a_100000696515_100000687865 [0,2,0,0,0,0|2,0,0]=4 23244 B13R0.313 CCCC(CC)NCCCNC(=O)C 270004a_100000736810_100000687865 [0,2,0,0,0,0|2,0,0]=4 23245 B13R0.313 CCCC(CC)NCCCSC(=O)C 2230a_100000747048_100000038929 [0,2,0,0,0,0|2,0,0]=4 23246 B13R0.313 CCCC(CC)OCCCCC(=O)C 34a_100000687864_100009817362 [0,2,0,0,0,0|1,0,0]=3 23247 B13R0.313 CCCC(CC)OCCCCC(=O)C 7a_100000687864_100000735457 [0,2,0,0,0,0|1,0,0]=3 23248 B13R0.313 CCCC(CC)OCCCCC(=O)N 7a_100012022536_100011219200 [0,2,0,0,0,0|2,0,0]=4 23249 B13R0.313 CCCC(CC)OCCCOC(=O)C 34a_100000687864_100000042594 [0,2,0,0,0,0|2,0,0]=4 23250 B13R0.313 CCCC(CC)OCCCOC(=O)C 7a_100000687864_100000042594 [0,2,0,0,0,0|2,0,0]=4 23251 B13R0.313 CCCC(CC)OCCCSC(=O)C 34a_100000687864_100000038929 [0,2,0,0,0,0|2,0,0]=4 23252 B13R0.313 CCCC(CC)OCCCSC(=O)C 7a_100000687864_100000038929 [0,2,0,0,0,0|2,0,0]=4 23253 B13R0.313 CCCC(CC)SCCCCC(=O)C 62a_100000735457_100011219200 [0,2,0,0,0,0|1,0,0]=3 23254 B13R0.313 CCCC(CC)SCCCCC(=O)C 62a_100011219200_100000735457 [0,2,0,0,0,0|1,0,0]=3 23255 B13R0.313 CCCC(CC)SCCCOC(=O)C 62a_100000042594_100011219200 [0,2,0,0,0,0|2,0,0]=4 23256 B13R0.313 CCCC(CC)SCCCOC(=O)C 62a_100011219200_100000042594 [0,2,0,0,0,0|2,0,0]=4 23257 B13R0.313 CCCC(CC)SCCCSC(=O)C 62a_100000038929_100011219200 [0,2,0,0,0,0|2,0,0]=4 23258 B13R0.313 CCCC(CC)SCCCSC(=O)C 62a_100011219200_100000038929 [0,2,0,0,0,0|2,0,0]=4 23259 B13R0.313 CCCC(CCOCCC(=O)C)SC 7a_100000032865_100000053229 [0,2,0,0,0,0|1,0,0]=3 23260 B13R0.313 CCCC(CCOCCC(=O)N)SC 34a_100000032865_100000731001 [0,2,0,0,0,0|2,0,0]=4 23261 B13R0.313 CCCC(CCOCCC(=O)N)SC 7a_100000032865_100000744528 [0,2,0,0,0,0|2,0,0]=4 23262 B13R0.313 CCCC(CCOCOC(=O)C)SC 34a_100000032865_100009813279 [0,2,0,0,0,0|2,0,0]=4 23263 B13R0.313 CCCN(CC)CCCCCC(=O)N 2230a_100000226822_100009817443 [0,2,0,0,0,0|2,0,0]=4 23264 B13R0.313 CCCN(CC)CCCCCC(=O)N 269982a_100000226822_100009817443 [0,2,0,0,0,0|2,0,0]=4 23265 B13R0.313 CCCN(CC)CCCCOC(=O)C 269982a_100000226822_100000033659 [0,2,0,0,0,0|2,0,0]=4 23266 B13R0.313 CCCN(CC)CCCCSC(=O)C 2230a_100000226822_200010402107 [0,2,0,0,0,0|2,0,0]=4 23267 B13R0.313 CCCN(CC)CCCCSC(=O)C 269982a_100000226822_200010402107 [0,2,0,0,0,0|2,0,0]=4 23268 B13R0.313 CCC[C@@H](CO)NCCCCC(=O)C 34a_100000732646_100009817362 [0,2,0,0,0,0|1,0,0]=3 23269 B13R0.313 CCC[C@@H](CO)NCCCOC(=O)C 34a_100000732646_100000042594 [0,2,0,0,0,0|2,0,0]=4 23270 B13R0.313 CCC[C@@H](CO)NCCCSC(=O)C 2230a_100000732646_100000038929 [0,2,0,0,0,0|2,0,0]=4 23271 B13R0.313 CCC[C@@H](CO)NCCCSC(=O)C 34a_100000732646_100000038929 [0,2,0,0,0,0|2,0,0]=4 23272 B13R0.313 CCOC(CC)CNCCCC(=O)C 34a_100015183923_100000685027 [0,2,0,0,0,0|2,0,0]=4 23273 B13R0.313 COCC(CCl)OCCCCC(=O)C 34a_100011215053_100009817362 [0,2,0,0,0,0|2,0,0]=4 23274 B13R0.313 COCC(CN)OCCCCC(=O)C 34a_100000756049_100009817362 [0,2,0,0,0,0|2,0,0]=4 23275 B13R0.313 COCC(CO)NCCCCC(=O)C 34a_100000724102_100009817362 [0,2,0,0,0,0|2,0,0]=4 23276 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [1,0,0,1,0,0|2,0,0]=4 23277 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [1,0,0,1,0,0|2,0,0]=4 23278 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [1,0,0,1,0,0|2,0,0]=4 23279 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [1,0,0,1,0,0|2,0,0]=4 23280 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [1,0,0,1,0,0|2,0,0]=4 23281 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [1,0,0,1,0,0|1,0,0]=3 23282 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [1,0,0,1,0,0|2,0,0]=4 23283 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [1,0,0,1,0,0|2,0,0]=4 23284 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [1,0,0,1,0,0|2,0,0]=4 23285 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [1,0,0,1,0,0|2,0,0]=4 23286 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [1,0,0,1,0,0|2,0,0]=4 23287 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [1,0,0,1,0,0|2,0,0]=4 23288 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [1,0,0,1,0,0|2,0,0]=4 23289 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [1,0,0,1,0,0|2,0,0]=4 23290 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [1,0,0,1,0,0|1,0,0]=3 23291 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [1,0,0,1,0,0|2,0,0]=4 23292 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [1,0,0,1,0,0|2,0,0]=4 23293 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [1,0,0,1,0,0|2,0,0]=4 23294 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 23295 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 23296 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [1,0,0,1,0,0|2,0,0]=4 23297 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [1,0,0,1,0,0|2,0,0]=4 23298 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [1,0,0,1,0,0|2,0,0]=4 23299 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [1,0,0,1,0,0|2,0,0]=4 23300 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [1,0,0,1,0,0|2,0,0]=4 23301 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [1,0,0,1,0,0|2,0,0]=4 23302 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [1,0,0,1,0,0|2,0,0]=4 23303 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [1,0,0,1,0,0|2,0,0]=4 23304 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [1,0,0,1,0,0|2,0,0]=4 23305 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [1,0,0,1,0,0|2,0,0]=4 23306 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 23307 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 23308 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 23309 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [1,0,0,1,0,0|1,0,0]=3 23310 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [1,0,0,1,0,0|1,0,0]=3 23311 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [1,0,0,1,0,0|2,0,0]=4 23312 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [1,0,0,1,0,0|2,0,0]=4 23313 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [1,0,0,1,0,0|2,0,0]=4 23314 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [1,0,0,1,0,0|1,0,0]=3 23315 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,1,0,0|2,0,0]=4 23316 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 23317 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 23318 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 23319 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [1,0,0,1,0,0|2,0,0]=4 23320 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,1,0,0|2,0,0]=4 23321 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 23322 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 23323 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 23324 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 23325 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [1,0,0,1,0,0|2,0,0]=4 23326 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 23327 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 23328 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [1,0,0,1,0,0|2,0,0]=4 23329 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [1,0,0,1,0,0|2,0,0]=4 23330 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [1,0,0,1,0,0|2,0,0]=4 23331 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [1,0,0,1,0,0|2,0,0]=4 23332 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [1,0,0,1,0,0|2,0,0]=4 23333 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [1,0,0,1,0,0|2,0,0]=4 23334 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [1,0,0,1,0,0|1,0,0]=3 23335 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [1,0,0,1,0,0|1,0,0]=3 23336 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [1,0,0,1,0,0|1,0,0]=3 23337 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [1,0,0,1,0,0|1,0,0]=3 23338 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [1,0,0,1,0,0|1,0,0]=3 23339 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [1,0,0,1,0,0|1,0,0]=3 23340 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [1,0,0,1,0,0|1,0,0]=3 23341 B11R1.78 CCOCCSC1CC(=O)C1 62a_100009894365_100011215890 [1,0,0,1,0,0|2,0,0]=4 23342 B11R1.78 CCOCSCC1CC(=O)C1 62a_100000739092_100009874392 [1,0,0,1,0,0|2,0,0]=4 23343 B11R1.78 CCOCSCC1CC(=O)C1 62a_100009874392_100000739092 [1,0,0,1,0,0|2,0,0]=4 23344 B11R1.78 CCSCCSC1CC(=O)C1 62a_100009894365_100000757381 [1,0,0,1,0,0|2,0,0]=4 23345 B11R1.78 COCCCSC1CC(=O)C1 62a_100009894365_100000709357 [1,0,0,1,0,0|2,0,0]=4 23346 B11R1.78 COCCNCC1CC(=O)C1 2230a_100000209980_100009874392 [1,0,0,1,0,0|2,0,0]=4 23347 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [1,0,0,1,0,0|2,0,0]=4 23348 B11R1.78 COCCSCC1CC(=O)C1 62a_100000233755_100009874392 [1,0,0,1,0,0|2,0,0]=4 23349 B11R1.78 COCCSCC1CC(=O)C1 62a_100009874392_100000233755 [1,0,0,1,0,0|2,0,0]=4 23350 B11R1.78 CSCCNCC1CC(=O)C1 2230a_100020590264_100009874392 [1,0,0,1,0,0|2,0,0]=4 23351 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [1,0,0,1,0,0|2,0,0]=4 23352 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [1,0,0,1,0,0|2,0,0]=4 23353 B11R1.78 CSCCSCC1CC(=O)C1 62a_100000212216_100009874392 [1,0,0,1,0,0|2,0,0]=4 23354 B11R1.78 CSCCSCC1CC(=O)C1 62a_100009874392_100000751147 [1,0,0,1,0,0|2,0,0]=4 23355 B11R1.78 O=C1CC(C1)CNCCCF 2230a_100015189416_100009874392 [1,0,0,1,0,0|2,0,0]=4 23356 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [1,0,0,1,0,0|2,0,0]=4 23357 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [1,0,0,1,0,0|2,0,0]=4 23358 B11R1.78 O=C1CC(C1)CSCCCF 62a_100009874392_100011934791 [1,0,0,1,0,0|2,0,0]=4 23359 B11R1.78 O=C1CC(C1)CSCCCF 62a_100011934791_100009874392 [1,0,0,1,0,0|2,0,0]=4 23360 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [1,0,0,1,0,0|2,0,0]=4 23361 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [1,0,0,1,0,0|2,0,0]=4 23362 B11R1.78 O=C1CC(C1)SCCCCF 62a_100009894365_100000729493 [1,0,0,1,0,0|2,0,0]=4 23363 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [1,0,0,1,0,0|2,0,0]=4 23364 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 23365 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 23366 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 23367 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [1,0,0,1,0,0|1,0,0]=3 23368 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 23369 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 23370 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 23371 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [1,0,0,1,0,0|1,0,0]=3 23372 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [1,0,0,1,0,0|2,0,0]=4 23373 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [1,0,0,1,0,0|2,0,0]=4 23374 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 23375 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 23376 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 23377 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [1,0,0,1,0,0|2,0,0]=4 23378 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [1,0,0,1,0,0|2,0,0]=4 23379 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 23380 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 23381 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [1,0,0,1,0,0|2,0,0]=4 23382 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [1,0,0,1,0,0|2,0,0]=4 23383 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 23384 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 23385 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 23386 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 23387 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 23388 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 23389 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [1,0,0,1,0,0|2,0,0]=4 23390 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [1,0,0,1,0,0|2,0,0]=4 23391 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 23392 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 23393 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 23394 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [1,0,0,1,0,0|2,0,0]=4 23395 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [1,0,0,1,0,0|2,0,0]=4 23396 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [1,0,0,1,0,0|1,0,0]=3 23397 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [1,0,0,1,0,0|1,0,0]=3 23398 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [1,0,0,1,0,0|1,0,0]=3 23399 B11R1.90 CC(=O)CCN1CCSC1C 269982a_200011216479_100000053229 [1,0,0,1,0,0|2,0,0]=4 23400 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [1,0,0,1,0,0|2,0,0]=4 23401 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [1,0,0,1,0,0|2,0,0]=4 23402 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [1,0,0,1,0,0|2,0,0]=4 23403 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [1,0,0,1,0,0|2,0,0]=4 23404 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [1,0,0,1,0,0|2,0,0]=4 23405 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 23406 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 23407 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [1,0,0,1,0,0|2,0,0]=4 23408 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 23409 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 23410 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [1,0,0,1,0,0|2,0,0]=4 23411 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 23412 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 23413 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [1,0,0,1,0,0|2,0,0]=4 23414 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [1,0,0,1,0,0|2,0,0]=4 23415 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [1,0,0,1,0,0|2,0,0]=4 23416 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [1,0,0,1,0,0|2,0,0]=4 23417 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [1,0,0,1,0,0|2,0,0]=4 23418 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [1,0,0,1,0,0|2,0,0]=4 23419 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [1,0,0,1,0,0|2,0,0]=4 23420 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [1,0,0,1,0,0|0,0,2]=4 23421 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|0,0,0]=2 23422 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|0,0,0]=2 23423 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,0,1,0,0|1,0,0]=3 23424 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [1,0,0,1,0,0|2,0,0]=4 23425 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,0,1,0,0|1,0,0]=3 23426 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,0,1,0,0|1,0,0]=3 23427 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [1,0,0,1,0,0|2,0,0]=4 23428 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [1,0,0,1,0,0|2,0,0]=4 23429 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [1,0,0,1,0,0|2,0,0]=4 23430 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [1,0,0,1,0,0|2,0,0]=4 23431 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [1,0,0,1,0,0|2,0,0]=4 23432 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [1,0,0,1,0,0|2,0,0]=4 23433 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,0,1,0,0|1,0,0]=3 23434 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,0,1,0,0|1,0,0]=3 23435 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,0,1,0,0|1,0,0]=3 23436 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [1,0,0,1,0,0|2,0,0]=4 23437 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [1,0,0,1,0,0|2,0,0]=4 23438 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 23439 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 23440 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 23441 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,1,0,0|1,0,0]=3 23442 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 23443 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 23444 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 23445 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [1,0,0,1,0,0|2,0,0]=4 23446 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 23447 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 23448 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 23449 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [1,0,0,1,0,0|2,0,0]=4 23450 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 23451 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 23452 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 23453 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [1,0,0,1,0,0|2,0,0]=4 23454 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [1,0,0,1,0,0|2,0,0]=4 23455 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [1,0,0,1,0,0|2,0,0]=4 23456 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [1,0,0,1,0,0|2,0,0]=4 23457 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [1,0,0,1,0,0|2,0,0]=4 23458 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [1,0,0,1,0,0|2,0,0]=4 23459 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [1,0,0,1,0,0|2,0,0]=4 23460 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [1,0,0,1,0,0|2,0,0]=4 23461 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [1,0,0,1,0,0|2,0,0]=4 23462 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [1,0,0,1,0,0|2,0,0]=4 23463 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 23464 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 23465 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [1,0,0,1,0,0|2,0,0]=4 23466 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [1,0,0,1,0,0|2,0,0]=4 23467 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|2,0,0]=4 23468 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [1,0,0,1,0,0|2,0,0]=4 23469 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [1,0,0,1,0,0|2,0,0]=4 23470 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [1,0,0,1,0,0|2,0,0]=4 23471 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [1,0,0,1,0,0|2,0,0]=4 23472 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [1,0,0,1,0,0|0,0,2]=4 23473 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|0,0,0]=2 23474 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,0,1,0,0|1,0,0]=3 23475 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [1,0,0,1,0,0|2,0,0]=4 23476 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [1,0,0,1,0,0|2,0,0]=4 23477 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,0,1,0,0|1,0,0]=3 23478 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [1,0,0,1,0,0|2,0,0]=4 23479 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [1,0,0,1,0,0|2,0,0]=4 23480 B11R1.102 CC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000685027 [1,0,0,1,0,0|2,0,0]=4 23481 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [1,0,0,1,0,0|1,0,0]=3 23482 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [1,0,0,1,0,0|2,0,0]=4 23483 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [1,0,0,1,0,0|2,0,0]=4 23484 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [1,0,0,1,0,0|2,0,0]=4 23485 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [1,0,0,1,0,0|2,0,0]=4 23486 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [1,0,0,1,0,0|1,0,1]=4 23487 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [1,0,0,1,0,0|1,0,0]=3 23488 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [1,0,0,1,0,0|2,0,0]=4 23489 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [1,0,0,1,0,0|1,0,0]=3 23490 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [1,0,0,1,0,0|2,0,0]=4 23491 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [1,0,0,1,0,0|1,0,0]=3 23492 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [1,0,0,1,0,0|1,0,0]=3 23493 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [1,0,0,1,0,0|2,0,0]=4 23494 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [1,0,0,1,0,0|2,0,0]=4 23495 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [1,0,0,1,0,0|2,0,0]=4 23496 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [1,0,0,1,0,0|2,0,0]=4 23497 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [1,0,0,1,0,0|2,0,0]=4 23498 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [1,0,0,1,0,0|2,0,0]=4 23499 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [1,0,0,1,0,0|2,0,0]=4 23500 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [1,0,0,1,0,0|2,0,0]=4 23501 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [1,0,0,1,0,0|2,0,0]=4 23502 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [1,0,0,1,0,0|2,0,0]=4 23503 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [1,0,0,1,0,0|2,0,0]=4 23504 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [1,0,0,1,0,0|2,0,0]=4 23505 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [1,0,0,1,0,0|2,0,0]=4 23506 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [1,0,0,1,0,0|2,0,0]=4 23507 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [1,0,0,1,0,0|2,0,0]=4 23508 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [1,0,0,1,0,0|2,0,0]=4 23509 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [1,0,0,1,0,0|2,0,0]=4 23510 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [1,0,0,1,0,0|2,0,0]=4 23511 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [1,0,0,1,0,0|2,0,0]=4 23512 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|0,0,0]=2 23513 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [1,0,0,1,0,0|2,0,0]=4 23514 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [1,0,0,1,0,0|1,0,0]=3 23515 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [1,0,0,1,0,0|1,0,0]=3 23516 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [1,0,0,1,0,0|1,0,0]=3 23517 B11R1.172 CC(=O)CCCN1CCSC1 269982a_100011215254_100011215641 [1,0,0,1,0,0|2,0,0]=4 23518 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [1,0,0,1,0,0|1,0,0]=3 23519 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [1,0,0,1,0,0|1,0,0]=3 23520 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [1,0,0,1,0,0|1,0,0]=3 23521 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [1,0,0,1,0,0|2,0,0]=4 23522 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [1,0,0,1,0,0|2,0,0]=4 23523 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [1,0,0,1,0,0|2,0,0]=4 23524 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [1,0,0,1,0,0|1,0,0]=3 23525 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [1,0,0,1,0,0|1,0,0]=3 23526 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [1,0,0,1,0,0|2,0,0]=4 23527 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [1,0,0,1,0,0|1,0,0]=3 23528 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [1,0,0,1,0,0|2,0,0]=4 23529 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [1,0,0,1,0,0|2,0,0]=4 23530 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [1,0,0,1,0,0|2,0,0]=4 23531 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 23532 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 23533 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 23534 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [1,0,0,1,0,0|1,0,0]=3 23535 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [1,0,0,1,0,0|2,0,0]=4 23536 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [1,0,0,1,0,0|2,0,0]=4 23537 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [1,0,0,1,0,0|2,0,0]=4 23538 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [1,0,0,1,0,0|2,0,0]=4 23539 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [1,0,0,1,0,0|2,0,0]=4 23540 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [1,0,0,1,0,0|2,0,0]=4 23541 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [1,0,0,1,0,0|2,0,0]=4 23542 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [1,0,0,1,0,0|2,0,0]=4 23543 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 23544 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [1,0,0,1,0,0|2,0,0]=4 23545 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 23546 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [1,0,0,1,0,0|2,0,0]=4 23547 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 23548 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 23549 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 23550 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 23551 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [1,0,0,1,0,0|2,0,0]=4 23552 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [1,0,0,1,0,0|2,0,0]=4 23553 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [1,0,0,1,0,0|2,0,0]=4 23554 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [1,0,0,1,0,0|2,0,0]=4 23555 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 23556 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [1,0,0,1,0,0|2,0,0]=4 23557 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 23558 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [1,0,0,1,0,0|2,0,0]=4 23559 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [1,0,0,1,0,0|2,0,0]=4 23560 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [1,0,0,1,0,0|2,0,0]=4 23561 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [1,0,0,1,0,0|2,0,0]=4 23562 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [1,0,0,1,0,0|2,0,0]=4 23563 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [1,0,0,1,0,0|2,0,0]=4 23564 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [1,0,0,1,0,0|2,0,0]=4 23565 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [1,0,0,1,0,0|2,0,0]=4 23566 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [1,0,0,1,0,0|2,0,0]=4 23567 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|2,0,0]=4 23568 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [1,0,0,1,0,0|2,0,0]=4 23569 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [1,0,0,1,0,0|2,0,0]=4 23570 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [1,0,0,1,0,0|2,0,0]=4 23571 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [1,0,0,1,0,0|2,0,0]=4 23572 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [1,0,0,1,0,0|1,0,0]=3 23573 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [1,0,0,1,0,0|2,0,0]=4 23574 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [1,0,0,1,0,0|2,0,0]=4 23575 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [1,0,0,1,0,0|2,0,0]=4 23576 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [1,0,0,1,0,0|2,0,0]=4 23577 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [1,0,0,1,0,0|2,0,0]=4 23578 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [1,0,0,1,0,0|2,0,0]=4 23579 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [1,0,0,1,0,0|2,0,0]=4 23580 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [1,0,0,1,0,0|2,0,0]=4 23581 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [1,0,0,1,0,0|1,0,0]=3 23582 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [1,0,0,1,0,0|1,0,0]=3 23583 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [1,0,0,1,0,0|1,0,0]=3 23584 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [1,0,0,1,0,0|1,0,0]=3 23585 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [1,0,0,1,0,0|2,0,0]=4 23586 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [1,0,0,1,0,0|2,0,0]=4 23587 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [1,0,0,1,0,0|2,0,0]=4 23588 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [1,0,0,1,0,0|1,0,0]=3 23589 B11R1.174 CC(=O)CCCSC1COC1 62a_100011215641_100009818527 [1,0,0,1,0,0|2,0,0]=4 23590 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [1,0,0,1,0,0|1,0,0]=3 23591 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [1,0,0,1,0,0|1,0,0]=3 23592 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [1,0,0,1,0,0|2,0,0]=4 23593 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [1,0,0,1,0,0|2,0,0]=4 23594 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [1,0,0,1,0,0|2,0,0]=4 23595 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [1,0,0,1,0,0|2,0,0]=4 23596 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [1,0,0,1,0,0|1,0,0]=3 23597 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [1,0,0,1,0,0|1,0,0]=3 23598 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [1,0,0,1,0,0|2,0,0]=4 23599 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [1,0,0,1,0,0|2,0,0]=4 23600 B11R1.174 CC(=O)CCSCC1COC1 62a_100000053229_100010264016 [1,0,0,1,0,0|2,0,0]=4 23601 B11R1.174 CC(=O)CCSCC1COC1 62a_100010264016_100000053229 [1,0,0,1,0,0|2,0,0]=4 23602 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [1,0,0,1,0,0|2,0,0]=4 23603 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [1,0,0,1,0,0|2,0,0]=4 23604 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [1,0,0,1,0,0|2,0,0]=4 23605 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [1,0,0,1,0,0|2,0,0]=4 23606 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [1,0,0,1,0,0|2,0,0]=4 23607 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [1,0,0,1,0,0|2,0,0]=4 23608 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [1,0,0,1,0,0|2,0,0]=4 23609 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [1,0,0,1,0,0|2,0,0]=4 23610 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [1,0,0,1,0,0|2,0,0]=4 23611 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [1,0,0,1,0,0|2,0,0]=4 23612 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [1,0,0,1,0,0|2,0,0]=4 23613 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [1,0,0,1,0,0|2,0,0]=4 23614 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [1,0,0,1,0,0|2,0,0]=4 23615 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [1,0,0,1,0,0|2,0,0]=4 23616 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [1,0,0,1,0,0|2,0,0]=4 23617 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [1,0,0,1,0,0|2,0,0]=4 23618 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [1,0,0,1,0,0|2,0,0]=4 23619 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [1,0,0,1,0,0|2,0,0]=4 23620 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [1,0,0,1,0,0|2,0,0]=4 23621 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [1,0,0,1,0,0|2,0,0]=4 23622 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 23623 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [1,0,0,1,0,0|2,0,0]=4 23624 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 23625 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [1,0,0,1,0,0|2,0,0]=4 23626 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [1,0,0,1,0,0|2,0,0]=4 23627 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [1,0,0,1,0,0|2,0,0]=4 23628 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [1,0,0,1,0,0|2,0,0]=4 23629 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [1,0,0,1,0,0|2,0,0]=4 23630 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [1,0,0,1,0,0|2,0,0]=4 23631 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [1,0,0,1,0,0|2,0,0]=4 23632 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [1,0,0,1,0,0|2,0,0]=4 23633 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [1,0,0,1,0,0|1,0,0]=3 23634 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [1,0,0,1,0,0|1,0,0]=3 23635 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [1,0,0,1,0,0|1,0,0]=3 23636 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [1,0,0,1,0,0|1,0,0]=3 23637 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [1,0,0,1,0,0|1,0,0]=3 23638 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [1,0,0,1,0,0|1,0,0]=3 23639 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [1,0,0,1,0,0|2,0,0]=4 23640 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [1,0,0,1,0,0|2,0,0]=4 23641 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [1,0,0,1,0,0|2,0,0]=4 23642 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [1,0,0,1,0,0|2,0,0]=4 23643 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [1,0,0,1,0,0|2,0,0]=4 23644 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [1,0,0,1,0,0|1,0,0]=3 23645 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [1,0,0,1,0,0|1,0,0]=3 23646 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [1,0,0,1,0,0|2,0,0]=4 23647 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [1,0,0,1,0,0|2,0,0]=4 23648 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [1,0,0,1,0,0|2,0,0]=4 23649 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [1,0,0,1,0,0|2,0,0]=4 23650 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [1,0,0,1,0,0|2,0,0]=4 23651 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [1,0,0,1,0,0|2,0,0]=4 23652 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [1,0,0,1,0,0|1,0,0]=3 23653 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [1,0,0,1,0,0|1,0,0]=3 23654 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [1,0,0,1,0,0|1,0,0]=3 23655 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [1,0,0,1,0,0|2,0,0]=4 23656 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [1,0,0,1,0,0|2,0,0]=4 23657 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [1,0,0,1,0,0|1,0,0]=3 23658 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [1,0,0,1,0,0|1,0,0]=3 23659 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [1,0,0,1,0,0|2,0,0]=4 23660 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [1,0,0,1,0,0|2,0,0]=4 23661 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [1,0,0,1,0,0|2,0,0]=4 23662 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [1,0,0,1,0,0|2,0,0]=4 23663 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [1,0,0,1,0,0|2,0,0]=4 23664 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [1,0,0,1,0,0|2,0,0]=4 23665 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [1,0,0,1,0,0|2,0,0]=4 23666 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [1,0,0,1,0,0|2,0,0]=4 23667 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [1,0,0,1,0,0|2,0,0]=4 23668 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [1,0,0,1,0,0|2,0,0]=4 23669 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [1,0,0,1,0,0|2,0,0]=4 23670 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [1,0,0,1,0,0|2,0,0]=4 23671 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [1,0,0,1,0,0|2,0,0]=4 23672 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [1,0,0,1,0,0|2,0,0]=4 23673 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [1,0,0,1,0,0|2,0,0]=4 23674 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [1,0,0,1,0,0|2,0,0]=4 23675 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [1,0,0,1,0,0|2,0,0]=4 23676 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [1,0,0,1,0,0|2,0,0]=4 23677 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [1,0,0,1,0,0|2,0,0]=4 23678 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [1,0,0,1,0,0|2,0,0]=4 23679 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [1,0,0,1,0,0|2,0,0]=4 23680 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [1,0,0,1,0,0|2,0,0]=4 23681 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [1,0,0,1,0,0|2,0,0]=4 23682 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [1,0,0,1,0,0|2,0,0]=4 23683 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [1,0,0,1,0,0|2,0,0]=4 23684 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [1,0,0,1,0,0|2,0,0]=4 23685 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [1,0,0,1,0,0|2,0,0]=4 23686 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [1,0,0,1,0,0|2,0,0]=4 23687 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [1,0,0,1,0,0|2,0,0]=4 23688 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [1,0,0,1,0,0|2,0,0]=4 23689 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [1,0,0,1,0,0|2,0,0]=4 23690 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [1,0,0,1,0,0|2,0,0]=4 23691 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [1,0,0,1,0,0|2,0,0]=4 23692 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [1,0,0,1,0,0|2,0,0]=4 23693 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [1,0,0,1,0,0|2,0,0]=4 23694 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [1,0,0,1,0,0|2,0,0]=4 23695 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [1,0,0,1,0,0|2,0,0]=4 23696 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [1,0,0,1,0,0|2,0,0]=4 23697 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [1,0,0,1,0,0|2,0,0]=4 23698 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [1,0,0,1,0,0|2,0,0]=4 23699 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [1,0,0,1,0,0|2,0,0]=4 23700 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [1,0,0,1,0,0|2,0,0]=4 23701 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [1,0,0,1,0,0|2,0,0]=4 23702 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [1,0,0,1,0,0|2,0,0]=4 23703 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,0,0,1,0,0|2,0,0]=4 23704 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 23705 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 23706 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 23707 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [1,0,0,1,0,0|2,0,0]=4 23708 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [1,0,0,1,0,0|2,0,0]=4 23709 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [1,0,0,1,0,0|2,0,0]=4 23710 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [1,0,0,1,0,0|0,0,2]=4 23711 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 23712 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 23713 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 23714 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [1,0,0,1,0,0|1,0,0]=3 23715 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [1,0,0,1,0,0|2,0,0]=4 23716 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 23717 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 23718 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 23719 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [1,0,0,1,0,0|0,0,2]=4 23720 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|0,0,0]=2 23721 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|0,0,0]=2 23722 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [1,0,0,1,0,0|1,0,0]=3 23723 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 23724 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 23725 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 23726 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [1,0,0,1,0,0|1,0,0]=3 23727 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [1,0,0,1,0,0|2,0,0]=4 23728 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [1,0,0,1,0,0|2,0,0]=4 23729 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [1,0,0,1,0,0|2,0,0]=4 23730 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [1,0,0,1,0,0|2,0,0]=4 23731 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [1,0,0,1,0,0|2,0,0]=4 23732 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [1,0,0,1,0,0|2,0,0]=4 23733 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [1,0,0,1,0,0|2,0,0]=4 23734 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [1,0,0,1,0,0|0,0,2]=4 23735 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|0,0,0]=2 23736 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [1,0,0,1,0,0|1,0,0]=3 23737 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [1,0,0,1,0,0|1,0,1]=4 23738 B11R1.4 C/C=C/CNCC1CCCC1 34a_100000737975_100102629194 [1,0,0,1,0,0|1,0,1]=4 23739 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [1,0,0,1,0,0|1,0,1]=4 23740 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [1,0,0,1,0,0|1,0,1]=4 23741 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [1,0,0,1,0,0|1,0,1]=4 23742 B11R1.4 C/C=C/CSCC1CCCC1 62a_100000740388_100102629194 [1,0,0,1,0,0|1,0,1]=4 23743 B11R1.4 C/C=C/CSCC1CCCC1 62a_100102629194_100000740388 [1,0,0,1,0,0|1,0,1]=4 23744 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [1,0,0,1,0,0|1,0,1]=4 23745 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [1,0,0,1,0,0|1,0,1]=4 23746 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [1,0,0,1,0,0|1,0,1]=4 23747 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [1,0,0,1,0,0|1,0,1]=4 23748 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [1,0,0,1,0,0|1,0,1]=4 23749 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [1,0,0,1,0,0|1,0,1]=4 23750 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [1,0,0,1,0,0|1,0,1]=4 23751 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [1,0,0,1,0,0|1,0,1]=4 23752 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [1,0,0,1,0,0|1,0,1]=4 23753 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [1,0,0,1,0,0|1,0,1]=4 23754 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [1,0,0,1,0,0|1,0,1]=4 23755 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [1,0,0,1,0,0|1,0,1]=4 23756 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [1,0,0,1,0,0|1,0,1]=4 23757 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [1,0,0,1,0,0|1,0,1]=4 23758 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [1,0,0,1,0,0|1,0,1]=4 23759 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [1,0,0,1,0,0|1,0,1]=4 23760 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [1,0,0,1,0,0|1,0,1]=4 23761 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [1,0,0,1,0,0|1,0,1]=4 23762 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [1,0,0,1,0,0|1,0,1]=4 23763 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [1,0,0,1,0,0|1,0,1]=4 23764 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [1,0,0,1,0,0|1,0,1]=4 23765 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [1,0,0,1,0,0|1,0,1]=4 23766 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [1,0,0,1,0,0|1,0,1]=4 23767 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [1,0,0,1,0,0|1,0,1]=4 23768 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [1,0,0,1,0,0|1,0,1]=4 23769 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [1,0,0,1,0,0|1,0,1]=4 23770 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [1,0,0,1,0,0|1,0,1]=4 23771 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [1,0,0,1,0,0|1,0,1]=4 23772 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [1,0,0,1,0,0|1,0,1]=4 23773 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [1,0,0,1,0,0|1,0,1]=4 23774 B11R1.4 CC=CCNCC1CCCC1 2230a_100000737975_100000070051 [1,0,0,1,0,0|1,0,1]=4 23775 B11R1.4 CC=CCNCC1CCCC1 34a_100000737975_100000070051 [1,0,0,1,0,0|1,0,1]=4 23776 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [1,0,0,1,0,0|1,0,1]=4 23777 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [1,0,0,1,0,0|1,0,1]=4 23778 B11R1.4 CC=CCSCC1CCCC1 62a_100000070051_100000740388 [1,0,0,1,0,0|1,0,1]=4 23779 B11R1.4 CC=CCSCC1CCCC1 62a_100000740388_100000070051 [1,0,0,1,0,0|1,0,1]=4 23780 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [1,0,0,1,0,0|1,0,1]=4 23781 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [1,0,0,1,0,0|1,0,1]=4 23782 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [1,0,0,1,0,0|1,0,1]=4 23783 B11R1.4 CCCCCCN1CCSC1 2230a_100011215254_100000210314 [1,0,0,1,0,0|2,0,0]=4 23784 B11R1.4 CCCCCCN1CCSC1 269982a_100011215254_100000210757 [1,0,0,1,0,0|2,0,0]=4 23785 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [1,0,0,1,0,0|1,0,1]=4 23786 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [1,0,0,1,0,0|1,0,1]=4 23787 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [1,0,0,1,0,0|1,0,1]=4 23788 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [1,0,0,1,0,0|1,0,1]=4 23789 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [1,0,0,1,0,0|1,0,1]=4 23790 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [1,0,0,1,0,0|2,0,0]=4 23791 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [1,0,0,1,0,0|2,0,0]=4 23792 B11R1.4 CCCCCNC1CCSC1 270004a_100000209983_100000212027 [1,0,0,1,0,0|2,0,0]=4 23793 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [1,0,0,1,0,0|2,0,0]=4 23794 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [1,0,0,1,0,0|2,0,0]=4 23795 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [1,0,0,1,0,0|2,0,0]=4 23796 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [1,0,0,1,0,0|1,0,1]=4 23797 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [1,0,0,1,0,0|1,0,1]=4 23798 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [1,0,0,1,0,0|1,0,1]=4 23799 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [1,0,0,1,0,0|1,0,1]=4 23800 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [1,0,0,1,0,0|2,0,0]=4 23801 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [1,0,0,1,0,0|2,0,0]=4 23802 B11R1.4 CCCCCOC1CCSC1 7a_100011232664_100000210326 [1,0,0,1,0,0|2,0,0]=4 23803 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [1,0,0,1,0,0|2,0,0]=4 23804 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [1,0,0,1,0,0|1,0,1]=4 23805 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [1,0,0,1,0,0|1,0,1]=4 23806 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [1,0,0,1,0,0|2,0,0]=4 23807 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [1,0,0,1,0,0|1,0,1]=4 23808 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [1,0,0,1,0,0|1,0,1]=4 23809 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [1,0,0,1,0,0|1,0,1]=4 23810 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [1,0,0,1,0,0|1,0,1]=4 23811 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [1,0,0,1,0,0|1,0,1]=4 23812 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [1,0,0,1,0,0|2,0,0]=4 23813 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [1,0,0,1,0,0|2,0,0]=4 23814 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [1,0,0,1,0,0|2,0,0]=4 23815 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [1,0,0,1,0,0|2,0,0]=4 23816 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [1,0,0,1,0,0|1,0,1]=4 23817 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [1,0,0,1,0,0|1,0,1]=4 23818 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [1,0,0,1,0,0|1,0,1]=4 23819 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [1,0,0,1,0,0|1,0,1]=4 23820 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [1,0,0,1,0,0|1,0,1]=4 23821 B11R1.4 CCCCOCC1CCNC1 34a_100000748654_100000210210 [1,0,0,1,0,0|2,0,0]=4 23822 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [1,0,0,1,0,0|2,0,0]=4 23823 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [1,0,0,1,0,0|2,0,0]=4 23824 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [1,0,0,1,0,0|2,0,0]=4 23825 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [1,0,0,1,0,0|1,0,1]=4 23826 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [1,0,0,1,0,0|1,0,1]=4 23827 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [1,0,0,1,0,0|2,0,0]=4 23828 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [1,0,0,1,0,0|2,0,0]=4 23829 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [1,0,0,1,0,0|1,0,1]=4 23830 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [1,0,0,1,0,0|1,0,1]=4 23831 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [1,0,0,1,0,0|1,0,1]=4 23832 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [1,0,0,1,0,0|1,0,1]=4 23833 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [1,0,0,1,0,0|1,0,1]=4 23834 B11R1.4 CCCOCCC1CCNC1 34a_100016987287_100000210303 [1,0,0,1,0,0|2,0,0]=4 23835 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [1,0,0,1,0,0|2,0,0]=4 23836 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [1,0,0,1,0,0|1,0,1]=4 23837 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [1,0,0,1,0,0|1,0,1]=4 23838 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [1,0,0,1,0,0|1,0,1]=4 23839 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [1,0,0,1,0,0|1,0,1]=4 23840 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [1,0,0,1,0,0|1,0,1]=4 23841 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [1,0,0,1,0,0|1,0,1]=4 23842 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [1,0,0,1,0,0|1,0,1]=4 23843 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [1,0,0,1,0,0|1,0,1]=4 23844 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [1,0,0,1,0,0|1,0,1]=4 23845 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [1,0,0,1,0,0|1,0,1]=4 23846 B11R1.4 CNCCCOC1CCCC1 34a_100000213112_100000179811 [1,0,0,1,0,0|2,0,0]=4 23847 B11R1.4 CNCCCOC1CCCC1 34a_100000747560_200000210301 [1,0,0,1,0,0|2,0,0]=4 23848 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [1,0,0,1,0,0|2,0,0]=4 23849 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [1,0,0,1,0,0|2,0,0]=4 23850 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [1,0,0,1,0,0|2,0,0]=4 23851 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [1,0,0,1,0,0|2,0,0]=4 23852 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [1,0,0,1,0,0|2,0,0]=4 23853 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [1,0,0,1,0,0|2,0,0]=4 23854 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [1,0,0,1,0,0|2,0,0]=4 23855 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [1,0,0,1,0,0|2,0,0]=4 23856 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [1,0,0,1,0,0|2,0,0]=4 23857 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [1,0,0,1,0,0|2,0,0]=4 23858 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [1,0,0,1,0,0|2,0,0]=4 23859 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [1,0,0,1,0,0|2,0,0]=4 23860 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [1,0,0,1,0,0|2,0,0]=4 23861 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [1,0,0,1,0,0|2,0,0]=4 23862 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [1,0,0,1,0,0|2,0,0]=4 23863 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [1,0,0,1,0,0|2,0,0]=4 23864 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [1,0,0,1,0,0|2,0,0]=4 23865 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [1,0,0,1,0,0|2,0,0]=4 23866 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [1,0,0,1,0,0|2,0,0]=4 23867 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [1,0,0,1,0,0|2,0,0]=4 23868 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [1,0,0,1,0,0|2,0,0]=4 23869 B11R1.4 COCSCCC1CCCC1 62a_100000760354_100000766300 [1,0,0,1,0,0|2,0,0]=4 23870 B11R1.4 COCSCCC1CCCC1 62a_100000766300_100000760354 [1,0,0,1,0,0|2,0,0]=4 23871 B11R1.4 CSCCCNC1CCCC1 2230a_100000749238_100000179811 [1,0,0,1,0,0|2,0,0]=4 23872 B11R1.4 CSCCCNC1CCCC1 270004a_100000749238_100000210133 [1,0,0,1,0,0|2,0,0]=4 23873 B11R1.4 CSCCCOC1CCCC1 34a_100000690336_100000179811 [1,0,0,1,0,0|2,0,0]=4 23874 B11R1.4 CSCCCOC1CCCC1 7a_100000690336_100000179811 [1,0,0,1,0,0|2,0,0]=4 23875 B11R1.4 CSCCNCC1CCCC1 2230a_100000737975_100000751147 [1,0,0,1,0,0|2,0,0]=4 23876 B11R1.4 CSCCNCC1CCCC1 2230a_100020590264_100000740388 [1,0,0,1,0,0|2,0,0]=4 23877 B11R1.4 CSCCNCC1CCCC1 269862a_100020590264_100000746403 [1,0,0,1,0,0|2,0,0]=4 23878 B11R1.4 CSCCNCC1CCCC1 34a_100000737975_100000212216 [1,0,0,1,0,0|2,0,0]=4 23879 B11R1.4 CSCCOCC1CCCC1 34a_100000230434_100000740388 [1,0,0,1,0,0|2,0,0]=4 23880 B11R1.4 CSCCOCC1CCCC1 34a_100000742336_100000212216 [1,0,0,1,0,0|2,0,0]=4 23881 B11R1.4 CSCCOCC1CCCC1 7a_100000230434_100000740388 [1,0,0,1,0,0|2,0,0]=4 23882 B11R1.4 CSCCOCC1CCCC1 7a_100000742336_100000212216 [1,0,0,1,0,0|2,0,0]=4 23883 B11R1.4 CSCCSCC1CCCC1 62a_100000212216_100000740388 [1,0,0,1,0,0|2,0,0]=4 23884 B11R1.4 CSCCSCC1CCCC1 62a_100000740388_100000751147 [1,0,0,1,0,0|2,0,0]=4 23885 B11R1.4 CSCNCCC1CCCC1 2230a_100000739158_100011218213 [1,0,0,1,0,0|2,0,0]=4 23886 B11R1.4 CSCNCCC1CCCC1 34a_100000739158_100011218213 [1,0,0,1,0,0|2,0,0]=4 23887 B11R1.4 CSCOCCC1CCCC1 34a_100000749090_100011218213 [1,0,0,1,0,0|2,0,0]=4 23888 B11R1.4 CSCSCCC1CCCC1 62a_100000760354_100011218213 [1,0,0,1,0,0|2,0,0]=4 23889 B11R1.4 CSCSCCC1CCCC1 62a_100011218213_100000760354 [1,0,0,1,0,0|2,0,0]=4 23890 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [1,0,0,1,0,0|1,0,0]=3 23891 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [1,0,0,1,0,0|1,0,0]=3 23892 B11R1.4 O=CCCCCN1CCSC1 2230a_100011215254_100000139335 [1,0,0,1,0,0|2,0,0]=4 23893 B11R1.4 O=CCCCCN1CCSC1 269982a_100011215254_100000139335 [1,0,0,1,0,0|2,0,0]=4 23894 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [1,0,0,1,0,0|1,0,0]=3 23895 B11R1.4 O=CCCCN[C@@H]1CCOC1 2230a_200015188469_200011292268 [1,0,0,1,0,0|2,0,0]=4 23896 B11R1.4 O=CCCCN[C@H]1CCOC1 2230a_100015188467_200011292268 [1,0,0,1,0,0|2,0,0]=4 23897 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [1,0,0,1,0,0|1,0,0]=3 23898 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [1,0,0,1,0,0|2,0,0]=4 23899 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [1,0,0,1,0,0|1,0,0]=3 23900 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [1,0,0,1,0,0|1,0,0]=3 23901 B11R1.4 O=CCCCSC1CCOC1 62a_200011292268_100000690089 [1,0,0,1,0,0|2,0,0]=4 23902 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [1,0,0,1,0,0|1,0,0]=3 23903 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [1,0,0,1,0,0|1,0,0]=3 23904 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [1,0,0,1,0,0|1,0,0]=3 23905 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [1,0,0,1,0,0|1,0,0]=3 23906 B11R1.4 O=CCOCCC1CCNC1 34a_100016987287_200009817547 [1,0,0,1,0,0|2,0,0]=4 23907 B11R1.4 O=CCOCCC1CCOC1 34a_100011879284_200009817547 [1,0,0,1,0,0|2,0,0]=4 23908 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [1,0,0,1,0,0|1,0,0]=3 23909 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [1,0,0,1,0,0|1,0,0]=3 23910 B11R1.4 O=CCSCCN1CCCC1 62a_100000700749_200015260668 [1,0,0,1,0,0|2,0,0]=4 23911 B11R1.4 O=CCSCCN1CCCC1 62a_200015260668_100000004467 [1,0,0,1,0,0|2,0,0]=4 23912 B11R1.4 [13CH3]NCCCOC1CCCC1 34a_100000747560_200025704644 [1,0,0,1,0,0|2,0,0]=4 23913 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [1,0,0,1,0,0|2,0,0]=4 23914 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [1,0,0,1,0,0|2,0,0]=4 23915 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [1,0,0,1,0,0|2,0,0]=4 23916 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [1,0,0,1,0,0|1,0,0]=3 23917 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [1,0,0,1,0,0|1,0,0]=3 23918 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [1,0,0,1,0,0|2,0,0]=4 23919 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [1,0,0,1,0,0|2,0,0]=4 23920 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [1,0,0,1,0,0|2,0,0]=4 23921 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [1,0,0,1,0,0|2,0,0]=4 23922 B11R1.17 C/C=C/CN1CCCCC1C 269982a_100000211376_100102629194 [1,0,0,1,0,0|1,0,1]=4 23923 B11R1.17 C/C=C/CN1CCCCC1C 34a_100000211376_100102629194 [1,0,0,1,0,0|1,0,1]=4 23924 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 23925 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 23926 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 23927 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,0,0,1,0,0|1,0,1]=4 23928 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,0,0,1,0,0|1,0,1]=4 23929 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,0,0,1,0,0|1,0,1]=4 23930 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,0,0,1,0,0|1,0,1]=4 23931 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,0,0,1,0,0|1,0,1]=4 23932 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,0,1,0,0|1,0,0]=3 23933 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,0,1,0,0|1,0,0]=3 23934 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|1,0,0]=3 23935 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|1,0,0]=3 23936 B11R1.17 CC1CCCCN1CCN[13CH3] 2230a_100000739827_200025704644 [1,0,0,1,0,0|2,0,0]=4 23937 B11R1.17 CC1CCCCN1CCN[13CH3] 34a_100000739827_200025704644 [1,0,0,1,0,0|2,0,0]=4 23938 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [1,0,0,1,0,0|2,0,0]=4 23939 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [1,0,0,1,0,0|2,0,0]=4 23940 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [1,0,0,1,0,0|2,0,0]=4 23941 B11R1.17 CC=CCN1CCCCC1C 2230a_100000211376_100000070051 [1,0,0,1,0,0|1,0,1]=4 23942 B11R1.17 CC=CCN1CCCCC1C 34a_100000211376_100000070051 [1,0,0,1,0,0|1,0,1]=4 23943 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [1,0,0,1,0,0|1,0,1]=4 23944 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [1,0,0,1,0,0|1,0,1]=4 23945 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [1,0,0,1,0,0|1,0,1]=4 23946 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [1,0,0,1,0,0|1,0,1]=4 23947 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [1,0,0,1,0,0|1,0,1]=4 23948 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [1,0,0,1,0,0|1,0,1]=4 23949 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [1,0,0,1,0,0|1,0,1]=4 23950 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [1,0,0,1,0,0|2,0,0]=4 23951 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [1,0,0,1,0,0|2,0,0]=4 23952 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [1,0,0,1,0,0|1,0,0]=3 23953 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [1,0,0,1,0,0|1,0,0]=3 23954 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [1,0,0,1,0,0|1,0,1]=4 23955 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [1,0,0,1,0,0|1,0,1]=4 23956 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [1,0,0,1,0,0|2,0,0]=4 23957 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [1,0,0,1,0,0|2,0,0]=4 23958 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [1,0,0,1,0,0|2,0,0]=4 23959 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [1,0,0,1,0,0|1,0,0]=3 23960 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [1,0,0,1,0,0|1,0,0]=3 23961 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [1,0,0,1,0,0|2,0,0]=4 23962 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [1,0,0,1,0,0|2,0,0]=4 23963 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [1,0,0,1,0,0|2,0,0]=4 23964 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [1,0,0,1,0,0|2,0,0]=4 23965 B11R1.17 CCNCC1CCCCN1C 34a_100011228421_100000210202 [1,0,0,1,0,0|2,0,0]=4 23966 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [1,0,0,1,0,0|1,0,0]=3 23967 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [1,0,0,1,0,0|1,0,0]=3 23968 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [1,0,0,1,0,0|2,0,0]=4 23969 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [1,0,0,1,0,0|2,0,0]=4 23970 B11R1.17 CCSCC1CCCCN1C 62a_100000210202_100015185383 [1,0,0,1,0,0|2,0,0]=4 23971 B11R1.17 CCSCC1CCCCN1C 62a_100015185383_100000210202 [1,0,0,1,0,0|2,0,0]=4 23972 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [1,0,0,1,0,0|2,0,0]=4 23973 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [1,0,0,1,0,0|2,0,0]=4 23974 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [1,0,0,1,0,0|2,0,0]=4 23975 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_100000211948_200025704644 [1,0,0,1,0,0|2,0,0]=4 23976 B11R1.17 CN1CCCCC1CCS[13CH3] 62a_200025704644_100000211948 [1,0,0,1,0,0|2,0,0]=4 23977 B11R1.17 CNCCC1CCCCN1C 2230a_106832991635_100000211948 [1,0,0,1,0,0|2,0,0]=4 23978 B11R1.17 CNCCC1CCCCN1C 34a_100102657272_100000211948 [1,0,0,1,0,0|2,0,0]=4 23979 B11R1.17 CNCCC1CCCCN1C 7a_106832991635_100000211948 [1,0,0,1,0,0|2,0,0]=4 23980 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [1,0,0,1,0,0|2,0,0]=4 23981 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [1,0,0,1,0,0|2,0,0]=4 23982 B11R1.17 CNCCN1CCCCC1C 2230a_100000739827_200000210301 [1,0,0,1,0,0|2,0,0]=4 23983 B11R1.17 CNCCN1CCCCC1C 34a_100000739827_200000210301 [1,0,0,1,0,0|2,0,0]=4 23984 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 23985 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 23986 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [1,0,0,1,0,0|2,0,0]=4 23987 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [1,0,0,1,0,0|2,0,0]=4 23988 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 23989 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 23990 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [1,0,0,1,0,0|2,0,0]=4 23991 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [1,0,0,1,0,0|2,0,0]=4 23992 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [1,0,0,1,0,0|2,0,0]=4 23993 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [1,0,0,1,0,0|2,0,0]=4 23994 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [1,0,0,1,0,0|2,0,0]=4 23995 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [1,0,0,1,0,0|2,0,0]=4 23996 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [1,0,0,1,0,0|2,0,0]=4 23997 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [1,0,0,1,0,0|2,0,0]=4 23998 B11R1.17 CSCCC1CCCCN1C 62a_100000211948_200000210301 [1,0,0,1,0,0|2,0,0]=4 23999 B11R1.17 CSCCC1CCCCN1C 62a_200000210301_100000211948 [1,0,0,1,0,0|2,0,0]=4 24000 B11R1.17 CSCCN1CCCCC1C 2230a_100000211376_100000751147 [1,0,0,1,0,0|2,0,0]=4 24001 B11R1.17 CSCCN1CCCCC1C 269982a_100000211376_100000212216 [1,0,0,1,0,0|2,0,0]=4 24002 B11R1.17 CSCCN1CCCCC1C 34a_100000211376_100000212216 [1,0,0,1,0,0|2,0,0]=4 24003 B11R1.17 CSCNC1CCCCC1C 2230a_100000211402_100011218213 [1,0,0,1,0,0|2,0,0]=4 24004 B11R1.17 CSCNC1CCCCC1C 34a_100000211402_100011218213 [1,0,0,1,0,0|2,0,0]=4 24005 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [1,0,0,1,0,0|2,0,0]=4 24006 B11R1.17 CSCOC1CCCCC1C 34a_100000211207_100011218213 [1,0,0,1,0,0|2,0,0]=4 24007 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [1,0,0,1,0,0|2,0,0]=4 24008 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [1,0,0,1,0,0|2,0,0]=4 24009 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [1,0,0,1,0,0|2,0,0]=4 24010 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [1,0,0,1,0,0|2,0,0]=4 24011 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [1,0,0,1,0,0|2,0,0]=4 24012 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [1,0,0,1,0,0|2,0,0]=4 24013 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [1,0,0,1,0,0|2,0,0]=4 24014 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [1,0,0,1,0,0|2,0,0]=4 24015 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [1,0,0,1,0,0|2,0,0]=4 24016 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [1,0,0,1,0,0|2,0,0]=4 24017 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [1,0,0,1,0,0|2,0,0]=4 24018 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [1,0,0,1,0,0|2,0,0]=4 24019 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [1,0,0,1,0,0|2,0,0]=4 24020 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [1,0,0,1,0,0|2,0,0]=4 24021 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [1,0,0,1,0,0|2,0,0]=4 24022 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [1,0,0,1,0,0|2,0,0]=4 24023 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [1,0,0,1,0,0|2,0,0]=4 24024 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [1,0,0,1,0,0|2,0,0]=4 24025 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 24026 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [1,0,0,1,0,0|2,0,0]=4 24027 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [1,0,0,1,0,0|2,0,0]=4 24028 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [1,0,0,1,0,0|2,0,0]=4 24029 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [1,0,0,1,0,0|2,0,0]=4 24030 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 24031 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [1,0,0,1,0,0|2,0,0]=4 24032 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [1,0,0,1,0,0|2,0,0]=4 24033 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [1,0,0,1,0,0|2,0,0]=4 24034 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [1,0,0,1,0,0|2,0,0]=4 24035 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [1,0,0,1,0,0|2,0,0]=4 24036 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [1,0,0,1,0,0|2,0,0]=4 24037 B11R1.18 C/C=C/CN1CCCC1CC 269982a_100000754278_100102629194 [1,0,0,1,0,0|1,0,1]=4 24038 B11R1.18 C/C=C/CN1CCCC1CC 34a_100000754278_100102629194 [1,0,0,1,0,0|1,0,1]=4 24039 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 24040 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 24041 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 24042 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [1,0,0,1,0,0|1,0,1]=4 24043 B11R1.18 CC=CCN1CCCC1CC 2230a_100000754278_100000070051 [1,0,0,1,0,0|1,0,1]=4 24044 B11R1.18 CC=CCN1CCCC1CC 34a_100000754278_100000070051 [1,0,0,1,0,0|1,0,1]=4 24045 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [1,0,0,1,0,0|2,0,0]=4 24046 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [1,0,0,1,0,0|2,0,0]=4 24047 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [1,0,0,1,0,0|2,0,0]=4 24048 B11R1.18 CCC1CCCN1CCSC 2230a_100000754278_100000751147 [1,0,0,1,0,0|2,0,0]=4 24049 B11R1.18 CCC1CCCN1CCSC 269982a_100000754278_100000212216 [1,0,0,1,0,0|2,0,0]=4 24050 B11R1.18 CCC1CCCN1CCSC 34a_100000754278_100000212216 [1,0,0,1,0,0|2,0,0]=4 24051 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,0,0,1,0,0|1,0,0]=3 24052 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,0,0,1,0,0|1,0,0]=3 24053 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [1,0,0,1,0,0|1,0,1]=4 24054 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [1,0,0,1,0,0|1,0,1]=4 24055 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [1,0,0,1,0,0|1,0,1]=4 24056 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [1,0,0,1,0,0|1,0,1]=4 24057 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [1,0,0,1,0,0|1,0,1]=4 24058 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [1,0,0,1,0,0|1,0,1]=4 24059 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [1,0,0,1,0,0|1,0,1]=4 24060 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [1,0,0,1,0,0|1,0,1]=4 24061 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [1,0,0,1,0,0|1,0,1]=4 24062 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [1,0,0,1,0,0|1,0,1]=4 24063 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [1,0,0,1,0,0|1,0,1]=4 24064 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [1,0,0,1,0,0|1,0,1]=4 24065 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [1,0,0,1,0,0|1,0,1]=4 24066 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [1,0,0,1,0,0|1,0,1]=4 24067 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [1,0,0,1,0,0|1,0,1]=4 24068 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [1,0,0,1,0,0|1,0,1]=4 24069 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [1,0,0,1,0,0|1,0,1]=4 24070 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [1,0,0,1,0,0|1,0,1]=4 24071 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [1,0,0,1,0,0|1,0,1]=4 24072 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [1,0,0,1,0,0|1,0,1]=4 24073 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [1,0,0,1,0,0|1,0,1]=4 24074 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [1,0,0,1,0,0|1,0,1]=4 24075 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [1,0,0,1,0,0|1,0,1]=4 24076 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [1,0,0,1,0,0|1,0,1]=4 24077 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [1,0,0,1,0,0|1,0,1]=4 24078 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [1,0,0,1,0,0|1,0,1]=4 24079 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [1,0,0,1,0,0|1,0,1]=4 24080 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [1,0,0,1,0,0|1,0,1]=4 24081 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [1,0,0,1,0,0|1,0,1]=4 24082 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [1,0,0,1,0,0|1,0,1]=4 24083 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [1,0,0,1,0,0|1,0,1]=4 24084 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [1,0,0,1,0,0|1,0,1]=4 24085 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [1,0,0,1,0,0|1,0,1]=4 24086 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [1,0,0,1,0,0|2,0,0]=4 24087 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [1,0,0,1,0,0|1,0,1]=4 24088 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [1,0,0,1,0,0|1,0,1]=4 24089 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [1,0,0,1,0,0|1,0,1]=4 24090 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [1,0,0,1,0,0|2,0,0]=4 24091 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [1,0,0,1,0,0|2,0,0]=4 24092 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [1,0,0,1,0,0|2,0,0]=4 24093 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [1,0,0,1,0,0|1,0,1]=4 24094 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [1,0,0,1,0,0|1,0,1]=4 24095 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [1,0,0,1,0,0|1,0,1]=4 24096 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [1,0,0,1,0,0|1,0,1]=4 24097 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [1,0,0,1,0,0|1,0,1]=4 24098 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [1,0,0,1,0,0|1,0,1]=4 24099 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [1,0,0,1,0,0|2,0,0]=4 24100 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [1,0,0,1,0,0|2,0,0]=4 24101 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [1,0,0,1,0,0|2,0,0]=4 24102 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [1,0,0,1,0,0|2,0,0]=4 24103 B11R1.28 CCCCNC1CCCSC1 270004a_100000102301_100000057913 [1,0,0,1,0,0|2,0,0]=4 24104 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [1,0,0,1,0,0|1,0,1]=4 24105 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [1,0,0,1,0,0|1,0,1]=4 24106 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [1,0,0,1,0,0|1,0,1]=4 24107 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [1,0,0,1,0,0|1,0,1]=4 24108 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [1,0,0,1,0,0|1,0,1]=4 24109 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [1,0,0,1,0,0|1,0,1]=4 24110 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [1,0,0,1,0,0|1,0,1]=4 24111 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [1,0,0,1,0,0|2,0,0]=4 24112 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [1,0,0,1,0,0|2,0,0]=4 24113 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [1,0,0,1,0,0|2,0,0]=4 24114 B11R1.28 CCCCOC1CCCSC1 7a_100015962668_100000210211 [1,0,0,1,0,0|2,0,0]=4 24115 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [1,0,0,1,0,0|1,0,1]=4 24116 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [1,0,0,1,0,0|1,0,1]=4 24117 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [1,0,0,1,0,0|1,0,1]=4 24118 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [1,0,0,1,0,0|1,0,1]=4 24119 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [1,0,0,1,0,0|2,0,0]=4 24120 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [1,0,0,1,0,0|1,0,1]=4 24121 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [1,0,0,1,0,0|1,0,1]=4 24122 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [1,0,0,1,0,0|1,0,1]=4 24123 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [1,0,0,1,0,0|1,0,1]=4 24124 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [1,0,0,1,0,0|2,0,0]=4 24125 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [1,0,0,1,0,0|2,0,0]=4 24126 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [1,0,0,1,0,0|1,0,1]=4 24127 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [1,0,0,1,0,0|1,0,1]=4 24128 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [1,0,0,1,0,0|1,0,1]=4 24129 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [1,0,0,1,0,0|1,0,1]=4 24130 B11R1.28 CCCOCC1CCCNC1 34a_100000211344_100000210303 [1,0,0,1,0,0|2,0,0]=4 24131 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [1,0,0,1,0,0|2,0,0]=4 24132 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [1,0,0,1,0,0|2,0,0]=4 24133 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [1,0,0,1,0,0|1,0,1]=4 24134 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [1,0,0,1,0,0|1,0,1]=4 24135 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [1,0,0,1,0,0|2,0,0]=4 24136 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [1,0,0,1,0,0|2,0,0]=4 24137 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 24138 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,0,0,1,0,0|1,0,1]=4 24139 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,0,0,1,0,0|1,0,1]=4 24140 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 24141 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,0,0,1,0,0|1,0,1]=4 24142 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,0,0,1,0,0|1,0,1]=4 24143 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,0,0,1,0,0|1,0,1]=4 24144 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [1,0,0,1,0,0|2,0,0]=4 24145 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,0,0,1,0,0|1,0,1]=4 24146 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,0,0,1,0,0|1,0,1]=4 24147 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,1,0,0|1,0,0]=3 24148 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,1,0,0|1,0,0]=3 24149 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,1,0,0|1,0,0]=3 24150 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,1,0,0|1,0,0]=3 24151 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,1,0,0|1,0,0]=3 24152 B11R1.28 CNCCCN1CCCCC1 2230a_106832991635_100000690320 [1,0,0,1,0,0|2,0,0]=4 24153 B11R1.28 CNCCCN1CCCCC1 34a_100102657272_100000690320 [1,0,0,1,0,0|2,0,0]=4 24154 B11R1.28 CNCCCN1CCCCC1 7a_106832991635_100000007876 [1,0,0,1,0,0|2,0,0]=4 24155 B11R1.28 CNCCOC1CCCCC1 2230a_106832991635_100011211530 [1,0,0,1,0,0|2,0,0]=4 24156 B11R1.28 CNCCOC1CCCCC1 34a_100015206981_200000210301 [1,0,0,1,0,0|2,0,0]=4 24157 B11R1.28 CNCCOC1CCCCC1 34a_100102657272_100011211530 [1,0,0,1,0,0|2,0,0]=4 24158 B11R1.28 CNCCOC1CCCCC1 7a_106832991635_100011211530 [1,0,0,1,0,0|2,0,0]=4 24159 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|1,0,0]=3 24160 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|1,0,0]=3 24161 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|1,0,0]=3 24162 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [1,0,0,1,0,0|2,0,0]=4 24163 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [1,0,0,1,0,0|2,0,0]=4 24164 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [1,0,0,1,0,0|2,0,0]=4 24165 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [1,0,0,1,0,0|2,0,0]=4 24166 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [1,0,0,1,0,0|2,0,0]=4 24167 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [1,0,0,1,0,0|2,0,0]=4 24168 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [1,0,0,1,0,0|2,0,0]=4 24169 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [1,0,0,1,0,0|2,0,0]=4 24170 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [1,0,0,1,0,0|2,0,0]=4 24171 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [1,0,0,1,0,0|2,0,0]=4 24172 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [1,0,0,1,0,0|2,0,0]=4 24173 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [1,0,0,1,0,0|2,0,0]=4 24174 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [1,0,0,1,0,0|2,0,0]=4 24175 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [1,0,0,1,0,0|2,0,0]=4 24176 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [1,0,0,1,0,0|2,0,0]=4 24177 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [1,0,0,1,0,0|2,0,0]=4 24178 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [1,0,0,1,0,0|2,0,0]=4 24179 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [1,0,0,1,0,0|2,0,0]=4 24180 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [1,0,0,1,0,0|2,0,0]=4 24181 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [1,0,0,1,0,0|2,0,0]=4 24182 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,1,0,0|1,0,0]=3 24183 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,1,0,0|1,0,0]=3 24184 B11R1.28 CSCCCN1CCCCC1 62a_100132302099_200000210301 [1,0,0,1,0,0|2,0,0]=4 24185 B11R1.28 CSCCCN1CCCCC1 62a_200000210301_100000007876 [1,0,0,1,0,0|2,0,0]=4 24186 B11R1.28 CSCCNC1CCCCC1 2230a_100000182618_100000751147 [1,0,0,1,0,0|2,0,0]=4 24187 B11R1.28 CSCCNC1CCCCC1 270004a_100020590264_100000210434 [1,0,0,1,0,0|2,0,0]=4 24188 B11R1.28 CSCCNC1CCCCC1 34a_100000182618_100000212216 [1,0,0,1,0,0|2,0,0]=4 24189 B11R1.28 CSCCOC1CCCCC1 34a_100000210231_100000212216 [1,0,0,1,0,0|2,0,0]=4 24190 B11R1.28 CSCCOC1CCCCC1 34a_100000230434_100000210327 [1,0,0,1,0,0|2,0,0]=4 24191 B11R1.28 CSCCOC1CCCCC1 62a_100011211530_200000210301 [1,0,0,1,0,0|2,0,0]=4 24192 B11R1.28 CSCCOC1CCCCC1 62a_200000210301_100011211530 [1,0,0,1,0,0|2,0,0]=4 24193 B11R1.28 CSCCOC1CCCCC1 7a_100000210231_100000212216 [1,0,0,1,0,0|2,0,0]=4 24194 B11R1.28 CSCCOC1CCCCC1 7a_100000230434_100000210327 [1,0,0,1,0,0|2,0,0]=4 24195 B11R1.28 CSCCSC1CCCCC1 62a_100000210327_100000751147 [1,0,0,1,0,0|2,0,0]=4 24196 B11R1.28 CSCCSC1CCCCC1 62a_100000212216_100000210327 [1,0,0,1,0,0|2,0,0]=4 24197 B11R1.28 CSCNCC1CCCCC1 2230a_100000210473_100011218213 [1,0,0,1,0,0|2,0,0]=4 24198 B11R1.28 CSCNCC1CCCCC1 34a_100000210473_100011218213 [1,0,0,1,0,0|2,0,0]=4 24199 B11R1.28 CSCOCC1CCCCC1 34a_100000212181_100011218213 [1,0,0,1,0,0|2,0,0]=4 24200 B11R1.28 CSCSCC1CCCCC1 62a_100000211423_100011218213 [1,0,0,1,0,0|2,0,0]=4 24201 B11R1.28 CSCSCC1CCCCC1 62a_100011218213_100000211423 [1,0,0,1,0,0|2,0,0]=4 24202 B11R1.28 O=CCCCN1CCCOC1 2230a_100000131196_200011292268 [1,0,0,1,0,0|2,0,0]=4 24203 B11R1.28 O=CCCCN1CCCOC1 269982a_100000131196_200011292268 [1,0,0,1,0,0|2,0,0]=4 24204 B11R1.28 O=CCCCN1CCOCC1 2230a_100015191051_200011292268 [1,0,0,1,0,0|2,0,0]=4 24205 B11R1.28 O=CCCCN1CCOCC1 269982a_100015191051_200011292268 [1,0,0,1,0,0|2,0,0]=4 24206 B11R1.28 O=CCCCN1CCSCC1 2230a_100000737611_200011292268 [1,0,0,1,0,0|2,0,0]=4 24207 B11R1.28 O=CCCCN1CCSCC1 269982a_100000737611_200011292268 [1,0,0,1,0,0|2,0,0]=4 24208 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [1,0,0,1,0,0|1,0,0]=3 24209 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [1,0,0,1,0,0|1,0,0]=3 24210 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [1,0,0,1,0,0|2,0,0]=4 24211 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [1,0,0,1,0,0|2,0,0]=4 24212 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [1,0,0,1,0,0|2,0,0]=4 24213 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [1,0,0,1,0,0|2,0,0]=4 24214 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [1,0,0,1,0,0|2,0,0]=4 24215 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [1,0,0,1,0,0|2,0,0]=4 24216 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [1,0,0,1,0,0|2,0,0]=4 24217 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [1,0,0,1,0,0|2,0,0]=4 24218 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,0,0,1,0,0|1,0,0]=3 24219 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,0,0,1,0,0|1,0,0]=3 24220 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 24221 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [1,0,0,1,0,0|2,0,0]=4 24222 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [1,0,0,1,0,0|2,0,0]=4 24223 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [1,0,0,1,0,0|2,0,0]=4 24224 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [1,0,0,1,0,0|2,0,0]=4 24225 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [1,0,0,1,0,0|2,0,0]=4 24226 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [1,0,0,1,0,0|2,0,0]=4 24227 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [1,0,0,1,0,0|2,0,0]=4 24228 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [1,0,0,1,0,0|2,0,0]=4 24229 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [1,0,0,1,0,0|1,0,0]=3 24230 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [1,0,0,1,0,0|1,0,0]=3 24231 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [1,0,0,1,0,0|2,0,0]=4 24232 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [1,0,0,1,0,0|2,0,0]=4 24233 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [1,0,0,1,0,0|2,0,0]=4 24234 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [1,0,0,1,0,0|2,0,0]=4 24235 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [1,0,0,1,0,0|2,0,0]=4 24236 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [1,0,0,1,0,0|2,0,0]=4 24237 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,1,0,0|1,0,0]=3 24238 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,1,0,0|1,0,0]=3 24239 B11R1.28 [13CH3]NCCOC1CCCCC1 34a_100015206981_200025704644 [1,0,0,1,0,0|2,0,0]=4 24240 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|1,0,0]=3 24241 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|1,0,0]=3 24242 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [1,0,0,1,0,0|2,0,0]=4 24243 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [1,0,0,1,0,0|2,0,0]=4 24244 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [1,0,0,1,0,0|2,0,0]=4 24245 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [1,0,0,1,0,0|2,0,0]=4 24246 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [1,0,0,1,0,0|2,0,0]=4 24247 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [1,0,0,1,0,0|2,0,0]=4 24248 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [1,0,0,1,0,0|2,0,0]=4 24249 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,1,0,0|1,0,0]=3 24250 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,1,0,0|1,0,0]=3 24251 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_100132302099_200025704644 [1,0,0,1,0,0|2,0,0]=4 24252 B11R1.28 [13CH3]SCCCN1CCCCC1 62a_200025704644_100000007876 [1,0,0,1,0,0|2,0,0]=4 24253 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_100011211530_200025704644 [1,0,0,1,0,0|2,0,0]=4 24254 B11R1.28 [13CH3]SCCOC1CCCCC1 62a_200025704644_100011211530 [1,0,0,1,0,0|2,0,0]=4 24255 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [1,0,0,1,0,0|1,0,1]=4 24256 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [1,0,0,1,0,0|1,0,1]=4 24257 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [1,0,0,1,0,0|1,0,1]=4 24258 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [1,0,0,1,0,0|1,0,1]=4 24259 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [1,0,0,1,0,0|1,0,1]=4 24260 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [1,0,0,1,0,0|1,0,0]=3 24261 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [1,0,0,1,0,0|1,0,0]=3 24262 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [1,0,0,1,0,0|1,0,0]=3 24263 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [1,0,0,1,0,0|2,0,0]=4 24264 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [1,0,0,1,0,0|2,0,0]=4 24265 B11R1.41 CCC1CCCCN1CSC 2230a_100000210034_100011218213 [1,0,0,1,0,0|2,0,0]=4 24266 B11R1.41 CCC1CCCCN1CSC 269982a_100000210034_100011218213 [1,0,0,1,0,0|2,0,0]=4 24267 B11R1.41 CCC1CCCCN1CSC 34a_100000210034_100011218213 [1,0,0,1,0,0|2,0,0]=4 24268 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [1,0,0,1,0,0|1,0,0]=3 24269 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [1,0,0,1,0,0|1,0,0]=3 24270 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|1,0,0]=3 24271 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|1,0,0]=3 24272 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|1,0,0]=3 24273 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|1,0,0]=3 24274 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 24275 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [1,0,0,1,0,0|1,0,1]=4 24276 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 24277 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [1,0,0,1,0,0|1,0,1]=4 24278 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [1,0,0,1,0,0|1,0,1]=4 24279 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [1,0,0,1,0,0|1,0,1]=4 24280 B11R1.41 CCN1CCCCC1CNC 2230a_100000754393_200000210301 [1,0,0,1,0,0|2,0,0]=4 24281 B11R1.41 CCN1CCCCC1CNC 34a_100000754393_200000210301 [1,0,0,1,0,0|2,0,0]=4 24282 B11R1.41 CCN1CCCCC1CN[13CH3] 2230a_100000754393_200025704644 [1,0,0,1,0,0|2,0,0]=4 24283 B11R1.41 CCN1CCCCC1CN[13CH3] 34a_100000754393_200025704644 [1,0,0,1,0,0|2,0,0]=4 24284 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [1,0,0,1,0,0|2,0,0]=4 24285 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [1,0,0,1,0,0|2,0,0]=4 24286 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [1,0,0,1,0,0|2,0,0]=4 24287 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [1,0,0,1,0,0|2,0,0]=4 24288 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [1,0,0,1,0,0|2,0,0]=4 24289 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [1,0,0,1,0,0|2,0,0]=4 24290 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [1,0,0,1,0,0|2,0,0]=4 24291 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 24292 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 24293 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [1,0,0,1,0,0|2,0,0]=4 24294 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [1,0,0,1,0,0|2,0,0]=4 24295 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [1,0,0,1,0,0|1,0,1]=4 24296 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [1,0,0,1,0,0|1,0,1]=4 24297 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [1,0,0,1,0,0|2,0,0]=4 24298 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [1,0,0,1,0,0|2,0,0]=4 24299 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [1,0,0,1,0,0|2,0,0]=4 24300 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [1,0,0,1,0,0|2,0,0]=4 24301 B11R1.41 CC[C@H]1COCCN1CC=O 2230a_100016988097_200015260668 [1,0,0,1,0,0|2,0,0]=4 24302 B11R1.41 CC[C@H]1COCCN1CC=O 269982a_100016988097_200015260668 [1,0,0,1,0,0|2,0,0]=4 24303 B11R1.41 CC[C@H]1COCCN1CC=O 34a_100016988097_200009817547 [1,0,0,1,0,0|2,0,0]=4 24304 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 24305 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 24306 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 24307 B11R1.47 C/C=C/CCOCC1CCC1 34a_100016278192_100000763275 [1,0,0,1,0,0|1,0,1]=4 24308 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [1,0,0,1,0,0|1,0,1]=4 24309 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [1,0,0,1,0,0|1,0,1]=4 24310 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [1,0,0,1,0,0|1,0,1]=4 24311 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [1,0,0,1,0,0|1,0,1]=4 24312 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [1,0,0,1,0,0|1,0,1]=4 24313 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [1,0,0,1,0,0|1,0,1]=4 24314 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [1,0,0,1,0,0|1,0,1]=4 24315 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [1,0,0,1,0,0|1,0,1]=4 24316 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [1,0,0,1,0,0|1,0,1]=4 24317 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [1,0,0,1,0,0|1,0,1]=4 24318 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [1,0,0,1,0,0|1,0,1]=4 24319 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [1,0,0,1,0,0|1,0,1]=4 24320 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [1,0,0,1,0,0|1,0,1]=4 24321 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [1,0,0,1,0,0|1,0,1]=4 24322 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [1,0,0,1,0,0|1,0,1]=4 24323 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [1,0,0,1,0,0|1,0,1]=4 24324 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [1,0,0,1,0,0|1,0,1]=4 24325 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [1,0,0,1,0,0|1,0,1]=4 24326 B11R1.47 CC=CCCCOC1CCC1 34a_100020645299_100000749161 [1,0,0,1,0,0|1,0,1]=4 24327 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [1,0,0,1,0,0|1,0,1]=4 24328 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [1,0,0,1,0,0|1,0,1]=4 24329 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [1,0,0,1,0,0|1,0,1]=4 24330 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [1,0,0,1,0,0|1,0,1]=4 24331 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [1,0,0,1,0,0|2,0,0]=4 24332 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [1,0,0,1,0,0|1,0,1]=4 24333 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [1,0,0,1,0,0|1,0,1]=4 24334 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [1,0,0,1,0,0|2,0,0]=4 24335 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [1,0,0,1,0,0|2,0,0]=4 24336 B11R1.47 CCCCCCOC1CSC1 7a_100000072292_100000210314 [1,0,0,1,0,0|2,0,0]=4 24337 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [1,0,0,1,0,0|1,0,1]=4 24338 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [1,0,0,1,0,0|2,0,0]=4 24339 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [1,0,0,1,0,0|1,0,1]=4 24340 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [1,0,0,1,0,0|1,0,1]=4 24341 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [1,0,0,1,0,0|1,0,1]=4 24342 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [1,0,0,1,0,0|1,0,1]=4 24343 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [1,0,0,1,0,0|2,0,0]=4 24344 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [1,0,0,1,0,0|2,0,0]=4 24345 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [1,0,0,1,0,0|2,0,0]=4 24346 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [1,0,0,1,0,0|1,0,1]=4 24347 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [1,0,0,1,0,0|1,0,1]=4 24348 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [1,0,0,1,0,0|1,0,1]=4 24349 B11R1.47 CCCCCOCC1CNC1 34a_100016987283_100000718602 [1,0,0,1,0,0|2,0,0]=4 24350 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [1,0,0,1,0,0|2,0,0]=4 24351 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [1,0,0,1,0,0|2,0,0]=4 24352 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [1,0,0,1,0,0|2,0,0]=4 24353 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [1,0,0,1,0,0|1,0,1]=4 24354 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [1,0,0,1,0,0|1,0,1]=4 24355 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [1,0,0,1,0,0|2,0,0]=4 24356 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [1,0,0,1,0,0|2,0,0]=4 24357 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [1,0,0,1,0,0|2,0,0]=4 24358 B11R1.47 CNCCCOCC1CCC1 34a_100000213112_100000763275 [1,0,0,1,0,0|2,0,0]=4 24359 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [1,0,0,1,0,0|2,0,0]=4 24360 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [1,0,0,1,0,0|2,0,0]=4 24361 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [1,0,0,1,0,0|2,0,0]=4 24362 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [1,0,0,1,0,0|2,0,0]=4 24363 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [1,0,0,1,0,0|2,0,0]=4 24364 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [1,0,0,1,0,0|2,0,0]=4 24365 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [1,0,0,1,0,0|2,0,0]=4 24366 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [1,0,0,1,0,0|2,0,0]=4 24367 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [1,0,0,1,0,0|2,0,0]=4 24368 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [1,0,0,1,0,0|2,0,0]=4 24369 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [1,0,0,1,0,0|2,0,0]=4 24370 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [1,0,0,1,0,0|2,0,0]=4 24371 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [1,0,0,1,0,0|2,0,0]=4 24372 B11R1.47 CSCCCCOC1CCC1 34a_100011217163_100000749161 [1,0,0,1,0,0|2,0,0]=4 24373 B11R1.47 CSCCCNCC1CCC1 2230a_100000749238_100000763275 [1,0,0,1,0,0|2,0,0]=4 24374 B11R1.47 CSCCCNCC1CCC1 269862a_100000749238_100000753134 [1,0,0,1,0,0|2,0,0]=4 24375 B11R1.47 CSCCCOCC1CCC1 34a_100000690336_100000763275 [1,0,0,1,0,0|2,0,0]=4 24376 B11R1.47 CSCCCOCC1CCC1 7a_100000690336_100000763275 [1,0,0,1,0,0|2,0,0]=4 24377 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [1,0,0,1,0,0|1,0,0]=3 24378 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [1,0,0,1,0,0|1,0,0]=3 24379 B11R1.47 O=CCCCCNC1COC1 2230a_100016991112_100000139335 [1,0,0,1,0,0|2,0,0]=4 24380 B11R1.47 O=CCCCCOC1CSC1 7a_100000072292_100000139335 [1,0,0,1,0,0|2,0,0]=4 24381 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [1,0,0,1,0,0|1,0,0]=3 24382 B11R1.47 O=CCCCCSC1COC1 62a_100000139335_100009818527 [1,0,0,1,0,0|2,0,0]=4 24383 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [1,0,0,1,0,0|1,0,0]=3 24384 B11R1.47 O=CCCCNCC1COC1 2230a_100015281925_200011292268 [1,0,0,1,0,0|2,0,0]=4 24385 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [1,0,0,1,0,0|2,0,0]=4 24386 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [1,0,0,1,0,0|1,0,0]=3 24387 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [1,0,0,1,0,0|1,0,0]=3 24388 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [1,0,0,1,0,0|2,0,0]=4 24389 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [1,0,0,1,0,0|2,0,0]=4 24390 B11R1.47 O=CCCCSCC1COC1 62a_100010264016_200011292268 [1,0,0,1,0,0|2,0,0]=4 24391 B11R1.47 O=CCCCSCC1COC1 62a_200011292268_100010264016 [1,0,0,1,0,0|2,0,0]=4 24392 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 24393 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 24394 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [1,0,0,1,0,0|2,0,0]=4 24395 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [1,0,0,1,0,0|2,0,0]=4 24396 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [1,0,0,1,0,0|2,0,0]=4 24397 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [1,0,0,1,0,0|2,0,0]=4 24398 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 24399 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 24400 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [1,0,0,1,0,0|2,0,0]=4 24401 B11R1.109 COC[C@@H]1CCCN1CC=O 2230a_100020646714_200015260668 [1,0,0,1,0,0|2,0,0]=4 24402 B11R1.109 COC[C@@H]1CCCN1CC=O 269982a_100020646714_200015260668 [1,0,0,1,0,0|2,0,0]=4 24403 B11R1.109 COC[C@@H]1CCCN1CC=O 34a_100020646714_200009817547 [1,0,0,1,0,0|2,0,0]=4 24404 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [1,0,0,1,0,0|1,0,1]=4 24405 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [1,0,0,1,0,0|1,0,1]=4 24406 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [1,0,0,1,0,0|1,0,1]=4 24407 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [1,0,0,1,0,0|1,0,1]=4 24408 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [1,0,0,1,0,0|1,0,1]=4 24409 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [1,0,0,1,0,0|1,0,1]=4 24410 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [1,0,0,1,0,0|1,0,1]=4 24411 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [1,0,0,1,0,0|1,0,1]=4 24412 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [1,0,0,1,0,0|1,0,1]=4 24413 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [1,0,0,1,0,0|1,0,1]=4 24414 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [1,0,0,1,0,0|1,0,1]=4 24415 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [1,0,0,1,0,0|1,0,1]=4 24416 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|1,0,0]=3 24417 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|1,0,0]=3 24418 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [1,0,0,1,0,0|2,0,0]=4 24419 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [1,0,0,1,0,0|2,0,0]=4 24420 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [1,0,0,1,0,0|2,0,0]=4 24421 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [1,0,0,1,0,0|2,0,0]=4 24422 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [1,0,0,1,0,0|2,0,0]=4 24423 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [1,0,0,1,0,0|1,0,0]=3 24424 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [1,0,0,1,0,0|1,0,0]=3 24425 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [1,0,0,1,0,0|1,0,0]=3 24426 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|1,0,0]=3 24427 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|1,0,0]=3 24428 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [1,0,0,1,0,0|1,0,1]=4 24429 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [1,0,0,1,0,0|1,0,1]=4 24430 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [1,0,0,1,0,0|1,0,1]=4 24431 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [1,0,0,1,0,0|1,0,1]=4 24432 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [1,0,0,1,0,0|1,0,1]=4 24433 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [1,0,0,1,0,0|1,0,1]=4 24434 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [1,0,0,1,0,0|1,0,1]=4 24435 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [1,0,0,1,0,0|1,0,1]=4 24436 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [1,0,0,1,0,0|1,0,1]=4 24437 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [1,0,0,1,0,0|1,0,1]=4 24438 B11R1.180 CC1SCCN1CCCC=O 2230a_200011216479_200011292268 [1,0,0,1,0,0|2,0,0]=4 24439 B11R1.180 CC1SCCN1CCCC=O 269982a_200011216479_200011292268 [1,0,0,1,0,0|2,0,0]=4 24440 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [1,0,0,1,0,0|1,0,1]=4 24441 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [1,0,0,1,0,0|1,0,1]=4 24442 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [1,0,0,1,0,0|1,0,1]=4 24443 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [1,0,0,1,0,0|1,0,1]=4 24444 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [1,0,0,1,0,0|1,0,1]=4 24445 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [1,0,0,1,0,0|1,0,1]=4 24446 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [1,0,0,1,0,0|1,0,1]=4 24447 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,1,0,0|1,0,0]=3 24448 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,1,0,0|1,0,0]=3 24449 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [1,0,0,1,0,0|1,0,1]=4 24450 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [1,0,0,1,0,0|2,0,0]=4 24451 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [1,0,0,1,0,0|2,0,0]=4 24452 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,0,0,1,0,0|2,0,0]=4 24453 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,0,0,1,0,0|2,0,0]=4 24454 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,1,0,0|1,0,0]=3 24455 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,1,0,0|1,0,0]=3 24456 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,1,0,0|1,0,0]=3 24457 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [1,0,0,1,0,0|1,0,1]=4 24458 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [1,0,0,1,0,0|1,0,1]=4 24459 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,0,0,1,0,0|2,0,0]=4 24460 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,0,0,1,0,0|2,0,0]=4 24461 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [1,0,0,1,0,0|2,0,0]=4 24462 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,1,0,0|1,0,0]=3 24463 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,1,0,0|1,0,0]=3 24464 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,0,0,1,0,0|2,0,0]=4 24465 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,0,0,1,0,0|2,0,0]=4 24466 B11R1.180 CCCOCC1CCCN1C 34a_100000743107_100000210303 [1,0,0,1,0,0|2,0,0]=4 24467 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [1,0,0,1,0,0|2,0,0]=4 24468 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [1,0,0,1,0,0|2,0,0]=4 24469 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [1,0,0,1,0,0|2,0,0]=4 24470 B11R1.180 CCNCCC1CCCN1C 2230a_100015525214_100000005710 [1,0,0,1,0,0|2,0,0]=4 24471 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [1,0,0,1,0,0|2,0,0]=4 24472 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [1,0,0,1,0,0|2,0,0]=4 24473 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [1,0,0,1,0,0|2,0,0]=4 24474 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [1,0,0,1,0,0|2,0,0]=4 24475 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [1,0,0,1,0,0|2,0,0]=4 24476 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [1,0,0,1,0,0|2,0,0]=4 24477 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [1,0,0,1,0,0|2,0,0]=4 24478 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [1,0,0,1,0,0|2,0,0]=4 24479 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [1,0,0,1,0,0|2,0,0]=4 24480 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [1,0,0,1,0,0|2,0,0]=4 24481 B11R1.180 CCSCCC1CCCN1C 62a_100000005710_100000210202 [1,0,0,1,0,0|2,0,0]=4 24482 B11R1.180 CCSCCC1CCCN1C 62a_100000210202_100000005710 [1,0,0,1,0,0|2,0,0]=4 24483 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [1,0,0,1,0,0|2,0,0]=4 24484 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [1,0,0,1,0,0|2,0,0]=4 24485 B11R1.180 CN1CCCC1COCC=O 34a_100000743107_200009817547 [1,0,0,1,0,0|2,0,0]=4 24486 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [1,0,0,1,0,0|2,0,0]=4 24487 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [1,0,0,1,0,0|2,0,0]=4 24488 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [1,0,0,1,0,0|2,0,0]=4 24489 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [1,0,0,1,0,0|2,0,0]=4 24490 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [1,0,0,1,0,0|2,0,0]=4 24491 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [1,0,0,1,0,0|2,0,0]=4 24492 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [1,0,0,1,0,0|2,0,0]=4 24493 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [1,0,0,1,0,0|2,0,0]=4 24494 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [1,0,0,1,0,0|2,0,0]=4 24495 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [1,0,0,1,0,0|2,0,0]=4 24496 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [1,0,0,1,0,0|2,0,0]=4 24497 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [1,0,0,1,0,0|2,0,0]=4 24498 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [1,0,0,1,0,0|2,0,0]=4 24499 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [1,0,0,1,0,0|2,0,0]=4 24500 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [1,0,0,1,0,0|2,0,0]=4 24501 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [1,0,0,1,0,0|2,0,0]=4 24502 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [1,0,0,1,0,0|2,0,0]=4 24503 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [1,0,0,1,0,0|2,0,0]=4 24504 B11R1.180 CSCCNC1CCCC1C 269862a_100020590264_100000752053 [1,0,0,1,0,0|2,0,0]=4 24505 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [1,0,0,1,0,0|2,0,0]=4 24506 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [1,0,0,1,0,0|2,0,0]=4 24507 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [1,0,0,1,0,0|2,0,0]=4 24508 B11R1.180 CSCCOC1CCCC1C 34a_100011216460_100000212216 [1,0,0,1,0,0|2,0,0]=4 24509 B11R1.180 CSCCOC1CCCC1C 7a_100011216460_100000212216 [1,0,0,1,0,0|2,0,0]=4 24510 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [1,0,0,1,0,0|2,0,0]=4 24511 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [1,0,0,1,0,0|2,0,0]=4 24512 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [1,0,0,1,0,0|1,0,0]=3 24513 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [1,0,0,1,0,0|1,0,0]=3 24514 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [1,0,0,1,0,0|1,0,0]=3 24515 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [1,0,0,1,0,0|1,0,0]=3 24516 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [1,0,0,1,0,0|2,0,0]=4 24517 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [1,0,0,1,0,0|2,0,0]=4 24518 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [1,0,0,1,0,0|2,0,0]=4 24519 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [1,0,0,1,0,0|2,0,0]=4 24520 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [1,0,0,1,0,0|2,0,0]=4 24521 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [1,0,0,1,0,0|2,0,0]=4 24522 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [1,0,0,1,0,0|2,0,0]=4 24523 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [1,0,0,1,0,0|2,0,0]=4 24524 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [1,0,0,1,0,0|2,0,0]=4 24525 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [1,0,0,1,0,0|2,0,0]=4 24526 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [1,0,0,1,0,0|2,0,0]=4 24527 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [1,0,0,1,0,0|2,0,0]=4 24528 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [1,0,0,1,0,0|2,0,0]=4 24529 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [1,0,0,1,0,0|2,0,0]=4 24530 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [1,0,0,1,0,0|2,0,0]=4 24531 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [1,0,0,1,0,0|2,0,0]=4 24532 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [1,0,0,1,0,0|1,0,1]=4 24533 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [1,0,0,1,0,0|1,0,1]=4 24534 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [1,0,0,1,0,0|1,0,0]=3 24535 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [1,0,0,1,0,0|1,0,1]=4 24536 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [1,0,0,1,0,0|1,0,1]=4 24537 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,1,0,0|1,0,0]=3 24538 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,1,0,0|1,0,0]=3 24539 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,1,0,0|1,0,0]=3 24540 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,1,0,0|1,0,0]=3 24541 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [1,0,0,1,0,0|1,0,0]=3 24542 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [1,0,0,1,0,0|1,0,0]=3 24543 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [1,0,0,1,0,0|2,0,0]=4 24544 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [1,0,0,1,0,0|2,0,0]=4 24545 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [1,0,0,1,0,0|2,0,0]=4 24546 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [1,0,0,1,0,0|2,0,0]=4 24547 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [1,0,0,1,0,0|2,0,0]=4 24548 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [1,0,0,1,0,0|2,0,0]=4 24549 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [1,0,0,1,0,0|2,0,0]=4 24550 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [1,0,0,1,0,0|2,0,0]=4 24551 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [1,0,0,1,0,0|2,0,0]=4 24552 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [1,0,0,1,0,0|2,0,0]=4 24553 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [1,0,0,1,0,0|2,0,0]=4 24554 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [1,0,0,1,0,0|2,0,0]=4 24555 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [1,0,0,1,0,0|2,0,0]=4 24556 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [1,0,0,1,0,0|2,0,0]=4 24557 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [1,0,0,1,0,0|2,0,0]=4 24558 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [1,0,0,1,0,0|2,0,0]=4 24559 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [1,0,0,1,0,0|2,0,0]=4 24560 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [1,0,0,1,0,0|2,0,0]=4 24561 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [1,0,0,1,0,0|2,0,0]=4 24562 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [1,0,0,1,0,0|2,0,0]=4 24563 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [1,0,0,1,0,0|2,0,0]=4 24564 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [1,0,0,1,0,0|2,0,0]=4 24565 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 24566 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [1,0,0,1,0,0|2,0,0]=4 24567 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [1,0,0,1,0,0|2,0,0]=4 24568 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [1,0,0,1,0,0|2,0,0]=4 24569 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [1,0,0,1,0,0|2,0,0]=4 24570 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [1,0,0,1,0,0|2,0,0]=4 24571 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 24572 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [1,0,0,1,0,0|2,0,0]=4 24573 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 24574 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 24575 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [1,0,0,1,0,0|2,0,0]=4 24576 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [1,0,0,1,0,0|2,0,0]=4 24577 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [1,0,0,1,0,0|2,0,0]=4 24578 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [1,0,0,1,0,0|2,0,0]=4 24579 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [1,0,0,1,0,0|2,0,0]=4 24580 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 24581 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [1,0,0,1,0,0|2,0,0]=4 24582 B11R1.203 C/C=C/CN1CCCCCC1 269982a_100000185865_100102629194 [1,0,0,1,0,0|1,0,1]=4 24583 B11R1.203 C/C=C/CN1CCCCCC1 34a_100000185865_100102629194 [1,0,0,1,0,0|1,0,1]=4 24584 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 24585 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 24586 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 24587 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [1,0,0,1,0,0|1,0,1]=4 24588 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [1,0,0,1,0,0|1,0,1]=4 24589 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [1,0,0,1,0,0|1,0,1]=4 24590 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [1,0,0,1,0,0|1,0,1]=4 24591 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [1,0,0,1,0,0|1,0,1]=4 24592 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [1,0,0,1,0,0|1,0,1]=4 24593 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [1,0,0,1,0,0|1,0,1]=4 24594 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [1,0,0,1,0,0|1,0,1]=4 24595 B11R1.203 CC=CCN1CCCCCC1 2230a_100000185865_100000070051 [1,0,0,1,0,0|1,0,1]=4 24596 B11R1.203 CC=CCN1CCCCCC1 34a_100000185865_100000070051 [1,0,0,1,0,0|1,0,1]=4 24597 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [1,0,0,1,0,0|1,0,1]=4 24598 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [1,0,0,1,0,0|1,0,1]=4 24599 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [1,0,0,1,0,0|1,0,1]=4 24600 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [1,0,0,1,0,0|1,0,1]=4 24601 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [1,0,0,1,0,0|1,0,1]=4 24602 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [1,0,0,1,0,0|1,0,1]=4 24603 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [1,0,0,1,0,0|1,0,1]=4 24604 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [1,0,0,1,0,0|1,0,1]=4 24605 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [1,0,0,1,0,0|1,0,1]=4 24606 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [1,0,0,1,0,0|1,0,1]=4 24607 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [1,0,0,1,0,0|1,0,1]=4 24608 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 24609 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [1,0,0,1,0,0|1,0,1]=4 24610 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [1,0,0,1,0,0|1,0,1]=4 24611 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 24612 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [1,0,0,1,0,0|1,0,1]=4 24613 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [1,0,0,1,0,0|1,0,1]=4 24614 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [1,0,0,1,0,0|1,0,1]=4 24615 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [1,0,0,1,0,0|1,0,1]=4 24616 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [1,0,0,1,0,0|1,0,1]=4 24617 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|1,0,0]=3 24618 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|1,0,0]=3 24619 B11R1.203 CNCCN1CCCCCC1 7a_106832991635_100000722644 [1,0,0,1,0,0|2,0,0]=4 24620 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [1,0,0,1,0,0|2,0,0]=4 24621 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [1,0,0,1,0,0|2,0,0]=4 24622 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [1,0,0,1,0,0|2,0,0]=4 24623 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [1,0,0,1,0,0|2,0,0]=4 24624 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [1,0,0,1,0,0|2,0,0]=4 24625 B11R1.203 COCSC1CCCCCC1 62a_100000766300_100011217769 [1,0,0,1,0,0|2,0,0]=4 24626 B11R1.203 COCSC1CCCCCC1 62a_100011217769_100000766300 [1,0,0,1,0,0|2,0,0]=4 24627 B11R1.203 CSCCN1CCCCCC1 2230a_100000185865_100000751147 [1,0,0,1,0,0|2,0,0]=4 24628 B11R1.203 CSCCN1CCCCCC1 269982a_100000185865_100000212216 [1,0,0,1,0,0|2,0,0]=4 24629 B11R1.203 CSCCN1CCCCCC1 34a_100000185865_100000212216 [1,0,0,1,0,0|2,0,0]=4 24630 B11R1.203 CSCCN1CCCCCC1 62a_100000722644_200000210301 [1,0,0,1,0,0|2,0,0]=4 24631 B11R1.203 CSCCN1CCCCCC1 62a_200000210301_100000722644 [1,0,0,1,0,0|2,0,0]=4 24632 B11R1.203 CSCNC1CCCCCC1 2230a_100000210984_100011218213 [1,0,0,1,0,0|2,0,0]=4 24633 B11R1.203 CSCNC1CCCCCC1 34a_100000210984_100011218213 [1,0,0,1,0,0|2,0,0]=4 24634 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [1,0,0,1,0,0|2,0,0]=4 24635 B11R1.203 CSCSC1CCCCCC1 62a_100011217769_100011218213 [1,0,0,1,0,0|2,0,0]=4 24636 B11R1.203 CSCSC1CCCCCC1 62a_100011218213_100011217769 [1,0,0,1,0,0|2,0,0]=4 24637 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,1,0,0|1,0,0]=3 24638 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,1,0,0|1,0,0]=3 24639 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|1,0,0]=3 24640 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|1,0,0]=3 24641 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,1,0,0|1,0,0]=3 24642 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,1,0,0|1,0,0]=3 24643 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|1,0,0]=3 24644 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|1,0,0]=3 24645 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [1,0,0,1,0,0|2,0,0]=4 24646 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_100000722644_200025704644 [1,0,0,1,0,0|2,0,0]=4 24647 B11R1.203 [13CH3]SCCN1CCCCCC1 62a_200025704644_100000722644 [1,0,0,1,0,0|2,0,0]=4 24648 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [1,0,0,1,0,0|2,0,0]=4 24649 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [1,0,0,1,0,0|2,0,0]=4 24650 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [1,0,0,1,0,0|2,0,0]=4 24651 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 24652 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [1,0,0,1,0,0|1,0,1]=4 24653 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 24654 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [1,0,0,1,0,0|1,0,0]=3 24655 B13R1.27 C#CCCCCOC1CCC(=O)C1 34a_100012614533_100010269958 [0,1,0,1,0,0|0,0,2]=4 24656 B13R1.27 C=CCCCCOC1CCC(=O)C1 34a_100012614533_100011215482 [0,1,0,1,0,0|0,0,2]=4 24657 B13R1.27 CC/C=C\CCOC1CCC(=O)C1 34a_100012614533_100015370543 [0,1,0,1,0,0|0,0,2]=4 24658 B13R1.27 CCCCCCCN1CCC(C1)O 2230a_100011215560_100000210681 [0,1,0,1,0,0|0,0,2]=4 24659 B13R1.27 CCCCCCCN1CCC(C1)O 269982a_100011215560_100000210681 [0,1,0,1,0,0|0,0,2]=4 24660 B13R1.27 CCCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210681 [0,1,0,1,0,0|1,0,1]=4 24661 B13R1.27 CCCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210681 [0,1,0,1,0,0|1,0,1]=4 24662 B13R1.27 CCCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000210614 [0,1,0,1,0,0|1,0,1]=4 24663 B13R1.27 CCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210681 [0,1,0,1,0,0|1,0,1]=4 24664 B13R1.27 CCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210681 [0,1,0,1,0,0|1,0,1]=4 24665 B13R1.27 CCCCCCCN1CC[C@H](C1)C 34a_100016987628_100000210614 [0,1,0,1,0,0|1,0,1]=4 24666 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [0,1,0,1,0,0|1,0,0]=3 24667 B13R1.27 CCCCCCNC1CCC(C1)C 270004a_100000210581_100011215218 [0,1,0,1,0,0|1,0,1]=4 24668 B13R1.27 CCCCCCNC1CCC(C1)O 270004a_100000210581_100012614533 [0,1,0,1,0,0|0,0,2]=4 24669 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [0,1,0,1,0,0|1,0,0]=3 24670 B13R1.27 CCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210314 [0,1,0,1,0,0|0,0,2]=4 24671 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [0,1,0,1,0,0|0,0,0]=2 24672 B13R1.27 CCCCCCOC1CCC(C1)C 34a_100000698185_100000210314 [0,1,0,1,0,0|1,0,1]=4 24673 B13R1.27 CCCCCCOC1CCN(C1)C 7a_100000210259_200012183744 [0,1,0,1,0,0|2,0,0]=4 24674 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [0,1,0,1,0,0|1,0,0]=3 24675 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,1,0,1,0,0|2,0,0]=4 24676 B13R1.27 CCCCCCSC1CCN(C1)C 62a_100000210314_200012183744 [0,1,0,1,0,0|2,0,0]=4 24677 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,1,0,1,0,0|2,0,0]=4 24678 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [0,1,0,1,0,0|1,0,0]=3 24679 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [0,1,0,1,0,0|1,0,0]=3 24680 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,1,0,1,0,0|2,0,0]=4 24681 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [0,1,0,1,0,0|1,0,0]=3 24682 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [0,1,0,1,0,0|1,0,0]=3 24683 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [0,1,0,1,0,0|1,0,0]=3 24684 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [0,1,0,1,0,0|2,0,0]=4 24685 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [0,1,0,1,0,0|1,0,0]=3 24686 B13R1.27 CCCCCOCC1CCN(C1)C 34a_100000210253_200000690779 [0,1,0,1,0,0|2,0,0]=4 24687 B13R1.27 CCCCCOCC1CCN(C1)C 7a_100000210253_200000690779 [0,1,0,1,0,0|2,0,0]=4 24688 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [0,1,0,1,0,0|1,0,0]=3 24689 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,1,0,1,0,0|2,0,0]=4 24690 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,1,0,1,0,0|2,0,0]=4 24691 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,1,0,1,0,0|2,0,0]=4 24692 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,1,0,1,0,0|2,0,0]=4 24693 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [0,1,0,1,0,0|1,0,0]=3 24694 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [0,1,0,1,0,0|2,0,0]=4 24695 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [0,1,0,1,0,0|2,0,0]=4 24696 B13R1.27 CCCCCSCC1CCN(C1)C 62a_100000210326_200000690779 [0,1,0,1,0,0|2,0,0]=4 24697 B13R1.27 CCCCCSCC1CCN(C1)C 62a_200000690779_100000210326 [0,1,0,1,0,0|2,0,0]=4 24698 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,1,0,1,0,0|2,0,0]=4 24699 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,1,0,1,0,0|2,0,0]=4 24700 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,1,0,1,0,0|2,0,0]=4 24701 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,1,0,1,0,0|2,0,0]=4 24702 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [0,1,0,1,0,0|1,0,0]=3 24703 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [0,1,0,1,0,0|1,0,0]=3 24704 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [0,1,0,1,0,0|2,0,0]=4 24705 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [0,1,0,1,0,0|2,0,0]=4 24706 B13R1.27 CCCCOCCN1CNC(=O)C1 2230a_200000708111_100000743108 [0,1,0,1,0,0|2,0,0]=4 24707 B13R1.27 CCCCOCNC1CNC(=O)C1 2230a_100000697751_100011995733 [0,1,0,1,0,0|2,0,0]=4 24708 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [0,1,0,1,0,0|1,0,0]=3 24709 B13R1.27 CCCCOCOC1CNC(=O)C1 34a_100000690082_100011995733 [0,1,0,1,0,0|2,0,0]=4 24710 B13R1.27 CCCOCCNC1CNC(=O)C1 2230a_100000697751_100011215938 [0,1,0,1,0,0|2,0,0]=4 24711 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [0,1,0,1,0,0|1,0,0]=3 24712 B13R1.27 CCCOCCOC1CNC(=O)C1 34a_100000690082_100011215938 [0,1,0,1,0,0|2,0,0]=4 24713 B13R1.27 CCOCCCNC1CNC(=O)C1 2230a_100000697751_100012232248 [0,1,0,1,0,0|2,0,0]=4 24714 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [0,1,0,1,0,0|1,0,0]=3 24715 B13R1.27 CCOCCCOC1CNC(=O)C1 34a_100000690082_100012232248 [0,1,0,1,0,0|2,0,0]=4 24716 B13R1.27 CCOCCNCC1CNC(=O)C1 2230a_100016993742_100011215890 [0,1,0,1,0,0|2,0,0]=4 24717 B13R1.27 CCOCCNCC1CNC(=O)C1 34a_100016993742_100000210147 [0,1,0,1,0,0|2,0,0]=4 24718 B13R1.27 CCOCCNC[C@@H]1CCC(=O)N1 2230a_102516460346_100015189358 [0,1,0,1,0,0|2,0,0]=4 24719 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215890 [0,1,0,1,0,0|2,0,0]=4 24720 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210147 [0,1,0,1,0,0|2,0,0]=4 24721 B13R1.27 CCOCCOCC1CCC(=O)N1 34a_100000737831_100000210147 [0,1,0,1,0,0|2,0,0]=4 24722 B13R1.27 CCOCCOCC1CNC(=O)C1 34a_100016041077_100000210147 [0,1,0,1,0,0|2,0,0]=4 24723 B13R1.27 CCOCCOC[C@@H]1CCC(=O)N1 7a_100000210136_100015189358 [0,1,0,1,0,0|2,0,0]=4 24724 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100000210147_100015189358 [0,1,0,1,0,0|2,0,0]=4 24725 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215890 [0,1,0,1,0,0|2,0,0]=4 24726 B13R1.27 CCSCCNCC1CNC(=O)C1 2230a_100016993742_100000757381 [0,1,0,1,0,0|2,0,0]=4 24727 B13R1.27 CCSCCNCC1CNC(=O)C1 34a_100016993742_100000757381 [0,1,0,1,0,0|2,0,0]=4 24728 B13R1.27 CCSCCNC[C@@H]1CCC(=O)N1 2230a_100000106463_100015189358 [0,1,0,1,0,0|2,0,0]=4 24729 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000757381 [0,1,0,1,0,0|2,0,0]=4 24730 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757381 [0,1,0,1,0,0|2,0,0]=4 24731 B13R1.27 CCSCCOCC1CCC(=O)N1 34a_100000737831_100000757381 [0,1,0,1,0,0|2,0,0]=4 24732 B13R1.27 CCSCCOCC1CNC(=O)C1 34a_100016041077_100000757381 [0,1,0,1,0,0|2,0,0]=4 24733 B13R1.27 CCSCCOC[C@@H]1CCC(=O)N1 7a_100000212035_100015189358 [0,1,0,1,0,0|2,0,0]=4 24734 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100000757381_100015189358 [0,1,0,1,0,0|2,0,0]=4 24735 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757381 [0,1,0,1,0,0|2,0,0]=4 24736 B13R1.27 COCCCCNC1CNC(=O)C1 2230a_100000697751_100000730899 [0,1,0,1,0,0|2,0,0]=4 24737 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [0,1,0,1,0,0|1,0,0]=3 24738 B13R1.27 COCCCCOC1CNC(=O)C1 34a_100000690082_100000755781 [0,1,0,1,0,0|2,0,0]=4 24739 B13R1.27 COCCCNCC1CNC(=O)C1 2230a_100016993742_100000740836 [0,1,0,1,0,0|2,0,0]=4 24740 B13R1.27 COCCCNCC1CNC(=O)C1 34a_100016993742_100000740836 [0,1,0,1,0,0|2,0,0]=4 24741 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000740836 [0,1,0,1,0,0|2,0,0]=4 24742 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000740836 [0,1,0,1,0,0|2,0,0]=4 24743 B13R1.27 COCCCOCC1CCC(=O)N1 34a_100000737831_100000740836 [0,1,0,1,0,0|2,0,0]=4 24744 B13R1.27 COCCCOCC1CNC(=O)C1 34a_100016041077_100000740836 [0,1,0,1,0,0|2,0,0]=4 24745 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100000709357_100015189358 [0,1,0,1,0,0|2,0,0]=4 24746 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000709357 [0,1,0,1,0,0|2,0,0]=4 24747 B13R1.27 CSCCCNC[C@@H]1CCC(=O)N1 2230a_100000749238_100015189358 [0,1,0,1,0,0|2,0,0]=4 24748 B13R1.27 CSCCCOC[C@@H]1CCC(=O)N1 7a_100000690336_100015189358 [0,1,0,1,0,0|2,0,0]=4 24749 B13R1.27 O=C1CC(CN1)CNCCCCF 2230a_100016993742_100000729493 [0,1,0,1,0,0|2,0,0]=4 24750 B13R1.27 O=C1CC(CN1)CNCCCCF 34a_100016993742_100000729493 [0,1,0,1,0,0|2,0,0]=4 24751 B13R1.27 O=C1CC(CN1)CNCCCCO 2230a_100016993742_100000210776 [0,1,0,1,0,0|2,0,0]=4 24752 B13R1.27 O=C1CC(CN1)CNCCCCO 34a_100016993742_100011216708 [0,1,0,1,0,0|2,0,0]=4 24753 B13R1.27 O=C1CC(CN1)COCCCCF 34a_100016041077_100000729493 [0,1,0,1,0,0|2,0,0]=4 24754 B13R1.27 O=C1CC(CN1)COCCCCO 34a_100016041077_100011216708 [0,1,0,1,0,0|2,0,0]=4 24755 B13R1.27 O=C1CC(CN1)NCCCCCF 2230a_100000697751_100000729378 [0,1,0,1,0,0|2,0,0]=4 24756 B13R1.27 O=C1CC(CN1)NCCCCCO 2230a_100000697751_100000746330 [0,1,0,1,0,0|2,0,0]=4 24757 B13R1.27 O=C1CC(CN1)OCCCCCF 34a_100000690082_100000729378 [0,1,0,1,0,0|2,0,0]=4 24758 B13R1.27 O=C1CC(CN1)OCCCCCO 34a_100000690082_100000746330 [0,1,0,1,0,0|2,0,0]=4 24759 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [0,1,0,1,0,0|1,0,0]=3 24760 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,1,0,1,0,0|1,0,0]=3 24761 B13R1.27 O=C1CCC(C1)OCCOCCO 34a_100012614533_100000692535 [0,1,0,1,0,0|2,0,0]=4 24762 B13R1.27 O=C1CCC(N1)COCCCCF 34a_100000737831_100000729493 [0,1,0,1,0,0|2,0,0]=4 24763 B13R1.27 O=C1CCC(N1)COCCCCO 34a_100000737831_100011216708 [0,1,0,1,0,0|2,0,0]=4 24764 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 2230a_100015423886_100000729493 [0,1,0,1,0,0|2,0,0]=4 24765 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 34a_100015423886_100000729493 [0,1,0,1,0,0|2,0,0]=4 24766 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 2230a_100015423886_100000210776 [0,1,0,1,0,0|2,0,0]=4 24767 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 34a_100015423886_100011216708 [0,1,0,1,0,0|2,0,0]=4 24768 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 2230a_100000750430_100015189358 [0,1,0,1,0,0|2,0,0]=4 24769 B13R1.27 O=C1CC[C@H](N1)COCCCCCl 7a_100000210776_100015189358 [0,1,0,1,0,0|2,0,0]=4 24770 B13R1.27 O=C1CC[C@H](N1)COCCCCF 7a_100011995726_100015189358 [0,1,0,1,0,0|2,0,0]=4 24771 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100000729493_100015189358 [0,1,0,1,0,0|2,0,0]=4 24772 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100015189358_100000729493 [0,1,0,1,0,0|2,0,0]=4 24773 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100000210776_100015189358 [0,1,0,1,0,0|2,0,0]=4 24774 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100015189358_100000210776 [0,1,0,1,0,0|2,0,0]=4 24775 B13R1.27 O=C1CN(CN1)CCCCCCF 2230a_200000708111_100015922095 [0,1,0,1,0,0|2,0,0]=4 24776 B13R1.27 O=C1CN(CN1)CCCCCCO 2230a_200000708111_100000766143 [0,1,0,1,0,0|2,0,0]=4 24777 B13R1.201 C=C(C)CC(=O)C1CCCCC1C 1458a_100011215568_100000748629 [0,1,0,1,0,0|1,0,1]=4 24778 B13R1.201 C=C(C)CN(C)C1CCCCC1C 270004a_100000225649_100000210921 [0,1,0,1,0,0|2,0,0]=4 24779 B13R1.201 CC(=O)CC(=O)N1CCCCC1C 1458a_100000070787_100000182743 [0,1,0,1,0,0|1,0,1]=4 24780 B13R1.201 CC(=O)OC(C)N1CCCCC1C 269982a_100000211376_100009818208 [0,1,0,1,0,0|2,0,0]=4 24781 B13R1.201 CC1CCCCC1C(=O)CC(=O)N 1458a_100011215568_100000187820 [0,1,0,1,0,0|1,0,1]=4 24782 B13R1.201 CC1CCCCC1C(=O)CC(=O)[O-] 1458a_100011215568_100020667443 [0,1,0,1,0,0|1,0,1]=4 24783 B13R1.201 CC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100000210921 [0,1,0,1,0,0|2,0,0]=4 24784 B13R1.348 C=C(C)CC(=O)CC1CCCCC1 1458a_100000211666_100000748629 [0,1,0,1,0,0|1,0,1]=4 24785 B13R1.348 C=C(C)CN(C)CC1CCCCC1 2230a_100000225649_100000211423 [0,1,0,1,0,0|2,0,0]=4 24786 B13R1.348 C=C(C)CN(C)CC1CCCCC1 2230a_100000736448_100000748629 [0,1,0,1,0,0|2,0,0]=4 24787 B13R1.348 C=C(C)CN(C)CC1CCCCC1 269982a_100000225649_100000211423 [0,1,0,1,0,0|2,0,0]=4 24788 B13R1.348 C=C(C)CN(C)CC1CCCCC1 269982a_100000736448_100000748629 [0,1,0,1,0,0|2,0,0]=4 24789 B13R1.348 C=C(C)CN(C)CC1CCCCC1 34a_100000736448_100000748629 [0,1,0,1,0,0|2,0,0]=4 24790 B13R1.348 CC(=O)CC(=O)NC1CCCCC1 1458a_100000070787_100000183541 [0,1,0,1,0,0|1,0,1]=4 24791 B13R1.348 CC(=O)CC(=O)OC1CCCCC1 1458a_100000070787_100000041653 [0,1,0,1,0,0|1,0,1]=4 24792 B13R1.348 CC(=O)NC(C)CN1CCCCC1 11a_100000738326_100015343762 [0,1,0,1,0,0|2,0,0]=4 24793 B13R1.348 CC(=O)NC(C)CN1CCCCC1 1626a_100000738326_100015343762 [0,1,0,1,0,0|2,0,0]=4 24794 B13R1.348 CC(=O)NC(C)CN1CCCCC1 240690a_100000738326_100015343762 [0,1,0,1,0,0|2,0,0]=4 24795 B13R1.348 CC(=O)NC(C)CN1CCCCC1 527a_100000738326_100103153847 [0,1,0,1,0,0|2,0,0]=4 24796 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100000210327_100009818208 [0,1,0,1,0,0|2,0,0]=4 24797 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100009818208_100000210327 [0,1,0,1,0,0|2,0,0]=4 24798 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000736448_100000747473 [0,1,0,1,0,0|2,0,0]=4 24799 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000739694_100000211423 [0,1,0,1,0,0|2,0,0]=4 24800 B13R1.348 CN(CC(=O)N)CC1CCCCC1 269982a_100000736448_100000187820 [0,1,0,1,0,0|2,0,0]=4 24801 B13R1.348 CN(CC(=O)N)CC1CCCCC1 34a_100000736448_100000187820 [0,1,0,1,0,0|2,0,0]=4 24802 B13R1.348 CN(CC(=O)O)CC1CCCCC1 269956a_100000746989_100000211423 [0,1,0,1,0,0|2,0,0]=4 24803 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 269982a_100000736448_100020667443 [0,1,0,1,0,0|2,0,0]=4 24804 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 34a_100000736448_100020667443 [0,1,0,1,0,0|2,0,0]=4 24805 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000187820 [0,1,0,1,0,0|1,0,1]=4 24806 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100134613110_100000211423 [0,1,0,1,0,0|1,0,1]=4 24807 B13R1.348 O=C([O-])CC(=O)CC1CCCCC1 1458a_100000211666_100020667443 [0,1,0,1,0,0|1,0,1]=4 24808 B13R1.373 CCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210207 [0,1,0,1,0,0|2,0,0]=4 24809 B13R1.373 CCCN1CCCC(C1)NC(=O)C 11a_100011435248_100015343762 [0,1,0,1,0,0|2,0,0]=4 24810 B13R1.373 CCCN1CCCC(C1)NC(=O)C 1626a_100011435248_100015343762 [0,1,0,1,0,0|2,0,0]=4 24811 B13R1.373 CCCN1CCCC(C1)NC(=O)C 2230a_106657272119_100000210303 [0,1,0,1,0,0|2,0,0]=4 24812 B13R1.373 CCCN1CCCC(C1)NC(=O)C 240690a_100011435248_100015343762 [0,1,0,1,0,0|2,0,0]=4 24813 B13R1.373 CCCN1CCCC(C1)NC(=O)C 269982a_106657272119_100000210303 [0,1,0,1,0,0|2,0,0]=4 24814 B13R1.373 CCCN1CCCC(C1)NC(=O)C 527a_100011435248_100103153847 [0,1,0,1,0,0|2,0,0]=4 24815 B13R1.498 CCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210211 [0,1,0,1,0,0|2,0,0]=4 24816 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210211 [0,1,0,1,0,0|2,0,0]=4 24817 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210211 [0,1,0,1,0,0|2,0,0]=4 24818 B13R1.593 C=C(C)CC(=O)CCC1CCCC1 1458a_100000211120_100000748629 [0,1,0,1,0,0|1,0,1]=4 24819 B13R1.593 C=C(C)CN(C)CCC1CCCC1 2230a_100000225649_100000760354 [0,1,0,1,0,0|2,0,0]=4 24820 B13R1.593 C=C(C)CN(C)CCC1CCCC1 269982a_100000225649_100000760354 [0,1,0,1,0,0|2,0,0]=4 24821 B13R1.593 CC(=O)OC(C)SCC1CCCC1 62a_100000740388_100009818208 [0,1,0,1,0,0|2,0,0]=4 24822 B13R1.593 CC(=O)OC(C)SCC1CCCC1 62a_100009818208_100000740388 [0,1,0,1,0,0|2,0,0]=4 24823 B13R1.593 CN(CCC1CCCC1)CC(=O)N 2230a_100000739694_100000760354 [0,1,0,1,0,0|2,0,0]=4 24824 B13R1.593 CN(CCC1CCCC1)CC(=O)O 269956a_100000746989_100000760354 [0,1,0,1,0,0|2,0,0]=4 24825 B13R1.593 NC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000187820 [0,1,0,1,0,0|1,0,1]=4 24826 B13R1.593 NC(=O)CC(=O)CCC1CCCC1 1458a_100134613110_100000760354 [0,1,0,1,0,0|1,0,1]=4 24827 B13R1.593 O=C(O)CC(O)CNC1CCCC1 269956a_100011218706_100000179811 [0,1,0,1,0,0|2,0,0]=4 24828 B13R1.593 O=C([O-])CC(=O)CCC1CCCC1 1458a_100000211120_100020667443 [0,1,0,1,0,0|1,0,1]=4 24829 B13R1.1107 C=C(C)CN1CCCCCCCC1 2230a_100000039187_100000748629 [0,1,0,1,0,0|1,0,0]=3 24830 B13R1.1107 C=C(C)CN1CCCCCCCC1 269982a_100000039187_100000748629 [0,1,0,1,0,0|1,0,0]=3 24831 B13R1.1107 C=C(C)CN1CCCCCCCC1 34a_100000039187_100000748629 [0,1,0,1,0,0|1,0,0]=3 24832 B13R1.1107 C=C(F)CN1CCCCCCCC1 2230a_100000039187_100009893438 [0,1,0,1,0,0|1,0,1]=4 24833 B13R1.1107 C=C(F)CN1CCCCCCCC1 269982a_100000039187_100009893438 [0,1,0,1,0,0|1,0,1]=4 24834 B13R1.1107 C=C(F)CN1CCCCCCCC1 34a_100000039187_100009893438 [0,1,0,1,0,0|1,0,1]=4 24835 B13R1.1107 CC(C)CN1CCCCCCCC1 2230a_100000039187_100000210760 [0,1,0,1,0,0|1,0,1]=4 24836 B13R1.1107 CC(C)CN1CCCCCCCC1 269982a_100000039187_100000210624 [0,1,0,1,0,0|1,0,1]=4 24837 B13R1.1107 CC(C)CN1CCCCCCCC1 270004a_100000039187_100000210432 [0,1,0,1,0,0|1,0,1]=4 24838 B13R1.1107 CC(C)CN1CCCCCCCC1 34a_100000039187_100000210624 [0,1,0,1,0,0|1,0,1]=4 24839 B13R1.1107 CC(O)CN1CCCCCCCC1 2230a_100000039187_100011218427 [0,1,0,1,0,0|0,0,2]=4 24840 B13R1.1107 CC(O)CN1CCCCCCCC1 269982a_100000039187_100011218427 [0,1,0,1,0,0|0,0,2]=4 24841 B13R1.1107 CC(O)CN1CCCCCCCC1 34a_100000039187_100011218427 [0,1,0,1,0,0|0,0,2]=4 24842 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 2230a_100000039187_100009817552 [0,1,0,1,0,0|0,0,2]=4 24843 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 269982a_100000039187_100009817552 [0,1,0,1,0,0|0,0,2]=4 24844 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 34a_100000039187_100009817552 [0,1,0,1,0,0|0,0,2]=4 24845 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [0,1,0,1,0,0|1,0,0]=3 24846 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [0,1,0,1,0,0|1,0,0]=3 24847 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [0,1,0,1,0,0|1,0,0]=3 24848 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [0,1,0,1,0,0|1,0,0]=3 24849 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [0,1,0,1,0,0|1,0,0]=3 24850 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 269982a_100000039187_100000761209 [0,1,0,1,0,0|2,0,0]=4 24851 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 34a_100000039187_100000761209 [0,1,0,1,0,0|2,0,0]=4 24852 B13R1.1154 CCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210326 [0,1,0,1,0,0|2,0,0]=4 24853 B13R1.1154 CCCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210215 [0,1,0,1,0,0|2,0,0]=4 24854 B13R1.2027 O=C(O)CC(O)CNCC1CCC1 269956a_100011218706_100000763275 [0,1,0,1,0,0|2,0,0]=4 24855 B13R1.2028 O=C(O)CC(O)CNCCC1CC1 269956a_100011218706_100000694398 [0,1,0,1,0,0|2,0,0]=4 24856 B13R1.2438 CCCCCCNC1CS(=O)(=O)C1 2230a_100000695474_100000210314 [0,1,0,1,0,0|2,0,0]=4 24857 B13R1.2438 CCCCCCNC1CS(=O)(=O)C1 34a_100000695474_100000210314 [0,1,0,1,0,0|2,0,0]=4 24858 B13R1.2438 CCCCCCOC1CS(=O)(=O)C1 34a_100000072295_100000210314 [0,1,0,1,0,0|2,0,0]=4 24859 B13R1.2438 CCCCCCOC1CS(=O)(=O)C1 7a_100000072295_100000210314 [0,1,0,1,0,0|2,0,0]=4 24860 B13R1.2800 C=C(C)CN(C)C1CCCC1CC 270004a_100000225649_100000749056 [0,1,0,1,0,0|2,0,0]=4 24861 B13R1.2800 CCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000749056 [0,1,0,1,0,0|2,0,0]=4 24862 B13R1.2800 CCC1CCCN1C(C)OC(=O)C 269982a_100000754278_100009818208 [0,1,0,1,0,0|2,0,0]=4 24863 B13R1.7456 C=C(C)CC(=O)C1CCCCCC1 1458a_100000749507_100000748629 [0,1,0,1,0,0|1,0,1]=4 24864 B13R1.7456 C=C(C)CN(C)C1CCCCCC1 2230a_100015185097_100000748629 [0,1,0,1,0,0|2,0,0]=4 24865 B13R1.7456 C=C(C)CN(C)C1CCCCCC1 269982a_100000225649_100011217769 [0,1,0,1,0,0|2,0,0]=4 24866 B13R1.7456 C=C(C)CN(C)C1CCCCCC1 269982a_100015185097_100000748629 [0,1,0,1,0,0|2,0,0]=4 24867 B13R1.7456 C=C(C)CN(C)C1CCCCCC1 270004a_100000225649_100000210131 [0,1,0,1,0,0|2,0,0]=4 24868 B13R1.7456 C=C(C)CN(C)C1CCCCCC1 34a_100015185097_100000748629 [0,1,0,1,0,0|2,0,0]=4 24869 B13R1.7456 CC(=O)CC(=O)N1CCCCCC1 1458a_100000070787_100000182869 [0,1,0,1,0,0|1,0,1]=4 24870 B13R1.7456 CC(=O)CC(C)N1CCCCCC1 1458a_100015185830_200000210301 [0,1,0,1,0,0|1,0,0]=3 24871 B13R1.7456 CC(=O)OC(C)N1CCCCCC1 269982a_100000185865_100009818208 [0,1,0,1,0,0|2,0,0]=4 24872 B13R1.7456 CC(CC(=O)[13CH3])N1CCCCCC1 1458a_100015185830_200025704644 [0,1,0,1,0,0|1,0,0]=3 24873 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 2230a_100015185097_100000747473 [0,1,0,1,0,0|2,0,0]=4 24874 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 269982a_100015185097_100000187820 [0,1,0,1,0,0|2,0,0]=4 24875 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 270004a_100000739694_100000210131 [0,1,0,1,0,0|2,0,0]=4 24876 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 34a_100015185097_100000187820 [0,1,0,1,0,0|2,0,0]=4 24877 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_100000746989_100011217769 [0,1,0,1,0,0|2,0,0]=4 24878 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_200011259081_200000210301 [0,1,0,1,0,0|2,0,0]=4 24879 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 269982a_100015185097_100020667443 [0,1,0,1,0,0|2,0,0]=4 24880 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 34a_100015185097_100020667443 [0,1,0,1,0,0|2,0,0]=4 24881 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000187820 [0,1,0,1,0,0|1,0,1]=4 24882 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100134613110_100011217769 [0,1,0,1,0,0|1,0,1]=4 24883 B13R1.7456 O=C([O-])CC(=O)C1CCCCCC1 1458a_100000749507_100020667443 [0,1,0,1,0,0|1,0,1]=4 24884 B13R1.7456 [13CH3]N(CC(=O)O)C1CCCCCC1 269956a_200011259081_200025704644 [0,1,0,1,0,0|2,0,0]=4 24885 B13R1.18 CCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210211 [0,1,0,1,0,0|1,0,1]=4 24886 B13R1.18 CCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210211 [0,1,0,1,0,0|1,0,1]=4 24887 B13R1.18 CCCCC(C)N1CCNC(=O)C1 2230a_100000184651_200011215066 [0,1,0,1,0,0|2,0,0]=4 24888 B13R1.18 CCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000210087 [0,1,0,1,0,0|2,0,0]=4 24889 B13R1.18 CCCCC(C)N1CCOC(=O)C1 2230a_100000131268_200011215066 [0,1,0,1,0,0|2,0,0]=4 24890 B13R1.18 CCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210087 [0,1,0,1,0,0|2,0,0]=4 24891 B13R1.43 CCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210211 [0,1,0,1,0,0|1,0,1]=4 24892 B13R1.43 CCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210183_100015189358 [0,1,0,1,0,0|1,0,1]=4 24893 B13R1.43 CCCCC(C)NC1CNC(=O)C1 2230a_100000697751_200011215066 [0,1,0,1,0,0|2,0,0]=4 24894 B13R1.43 CCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011215066 [0,1,0,1,0,0|1,0,0]=3 24895 B13R1.43 CCCCC(C)OC1CNC(=O)C1 34a_100000690082_200011215066 [0,1,0,1,0,0|2,0,0]=4 24896 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000207549_100015189358 [0,1,0,1,0,0|2,0,0]=4 24897 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000207549_100015189358 [0,1,0,1,0,0|2,0,0]=4 24898 B13R1.128 CC(=O)CCCCN1CCC(C1)O 269982a_100011215560_100000735457 [0,1,0,1,0,0|1,0,0]=3 24899 B13R1.128 CC(=O)CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000735457 [0,1,0,1,0,0|1,0,0]=3 24900 B13R1.128 CC(=O)CCCCN1CC[C@@H](C1)F 34a_100015203821_100009817362 [0,1,0,1,0,0|1,0,0]=3 24901 B13R1.128 CC(=O)CCCCN1CC[C@H](C1)C 269982a_100016987628_100000735457 [0,1,0,1,0,0|1,0,0]=3 24902 B13R1.128 CC(=O)CCCCN1CC[C@H](C1)C 34a_100016987628_100009817362 [0,1,0,1,0,0|1,0,0]=3 24903 B13R1.128 CC(=O)CCCOC1CCC(=O)C1 34a_100012614533_100000685027 [0,1,0,1,0,0|1,0,1]=4 24904 B13R1.128 CC(=O)CCCOC1CCC(C1)C 34a_100000698185_100000685027 [0,1,0,1,0,0|1,0,0]=3 24905 B13R1.128 CC(=O)CCCOC1CCN(C1)C 7a_100000759063_200012183744 [0,1,0,1,0,0|2,0,0]=4 24906 B13R1.128 CC(=O)CCCSC1CCN(C1)C 62a_100011215641_200012183744 [0,1,0,1,0,0|2,0,0]=4 24907 B13R1.128 CC(=O)CCOCC1CCN(C1)C 34a_100000759926_200000690779 [0,1,0,1,0,0|2,0,0]=4 24908 B13R1.128 CC(=O)CCOCC1CCN(C1)C 7a_100000759926_200000690779 [0,1,0,1,0,0|2,0,0]=4 24909 B13R1.128 CC(=O)CCSCC1CCN(C1)C 62a_100000053229_200000690779 [0,1,0,1,0,0|2,0,0]=4 24910 B13R1.128 CC(=O)CCSCC1CCN(C1)C 62a_200000690779_100000053229 [0,1,0,1,0,0|2,0,0]=4 24911 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 24912 B13R1.128 CC(=O)OCCCN1CCC(C1)O 269982a_100011215560_100000042594 [0,1,0,1,0,0|2,0,0]=4 24913 B13R1.128 CC(=O)OCCCN1CC[C@@H](C1)F 269982a_100015203821_100000042594 [0,1,0,1,0,0|2,0,0]=4 24914 B13R1.128 CC(=O)OCCCN1CC[C@@H](C1)F 34a_100015203821_100000042594 [0,1,0,1,0,0|2,0,0]=4 24915 B13R1.128 CC(=O)OCCCN1CC[C@H](C1)C 269982a_100016987628_100000042594 [0,1,0,1,0,0|2,0,0]=4 24916 B13R1.128 CC(=O)OCCCN1CC[C@H](C1)C 34a_100016987628_100000042594 [0,1,0,1,0,0|2,0,0]=4 24917 B13R1.128 CC(=O)OCCOC1CCC(C1)C 34a_100000698185_100009814007 [0,1,0,1,0,0|2,0,0]=4 24918 B13R1.128 CC(=O)SCCCN1CCC(C1)O 2230a_100011215560_100000038929 [0,1,0,1,0,0|2,0,0]=4 24919 B13R1.128 CC(=O)SCCCN1CCC(C1)O 269982a_100011215560_100000038929 [0,1,0,1,0,0|2,0,0]=4 24920 B13R1.128 CC(=O)SCCCN1CC[C@@H](C1)F 2230a_100015203821_100000038929 [0,1,0,1,0,0|2,0,0]=4 24921 B13R1.128 CC(=O)SCCCN1CC[C@@H](C1)F 269982a_100015203821_100000038929 [0,1,0,1,0,0|2,0,0]=4 24922 B13R1.128 CC(=O)SCCCN1CC[C@@H](C1)F 34a_100015203821_100000038929 [0,1,0,1,0,0|2,0,0]=4 24923 B13R1.128 CC(=O)SCCCN1CC[C@H](C1)C 2230a_100016987628_100000038929 [0,1,0,1,0,0|2,0,0]=4 24924 B13R1.128 CC(=O)SCCCN1CC[C@H](C1)C 269982a_100016987628_100000038929 [0,1,0,1,0,0|2,0,0]=4 24925 B13R1.128 CC(=O)SCCCN1CC[C@H](C1)C 34a_100016987628_100000038929 [0,1,0,1,0,0|2,0,0]=4 24926 B13R1.128 CC(C)CCCCN1CNC(=O)C1 2230a_200000708111_100011216152 [0,1,0,1,0,0|2,0,0]=4 24927 B13R1.128 CC(C)CCCNC1CNC(=O)C1 2230a_100000697751_100011214892 [0,1,0,1,0,0|2,0,0]=4 24928 B13R1.128 CC(C)CCCOC1CCC(=O)C1 34a_100012614533_100011214892 [0,1,0,1,0,0|1,0,0]=3 24929 B13R1.128 CC(C)CCCOC1CNC(=O)C1 34a_100000690082_100011214892 [0,1,0,1,0,0|2,0,0]=4 24930 B13R1.128 CC(C)CCNCC1CNC(=O)C1 2230a_100016993742_100000210312 [0,1,0,1,0,0|2,0,0]=4 24931 B13R1.128 CC(C)CCNCC1CNC(=O)C1 269862a_100016993742_100000185833 [0,1,0,1,0,0|2,0,0]=4 24932 B13R1.128 CC(C)CCNCC1CNC(=O)C1 34a_100016993742_100000210312 [0,1,0,1,0,0|2,0,0]=4 24933 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210312 [0,1,0,1,0,0|2,0,0]=4 24934 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 269862a_100015423886_100000185833 [0,1,0,1,0,0|2,0,0]=4 24935 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210312 [0,1,0,1,0,0|2,0,0]=4 24936 B13R1.128 CC(C)CCOCC1CCC(=O)N1 34a_100000737831_100000210312 [0,1,0,1,0,0|2,0,0]=4 24937 B13R1.128 CC(C)CCOCC1CNC(=O)C1 34a_100016041077_100000210312 [0,1,0,1,0,0|2,0,0]=4 24938 B13R1.128 CC(C)CCOC[C@@H]1CCC(=O)N1 7a_100000210254_100015189358 [0,1,0,1,0,0|2,0,0]=4 24939 B13R1.128 CC(C)CCSC[C@@H]1CCC(=O)N1 62a_100000210312_100015189358 [0,1,0,1,0,0|2,0,0]=4 24940 B13R1.128 CC(C)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210312 [0,1,0,1,0,0|2,0,0]=4 24941 B13R1.128 CC(C)OCCOC1CCC(=O)C1 34a_100012614533_100000211751 [0,1,0,1,0,0|2,0,0]=4 24942 B13R1.128 CC(C)SCCOC1CCC(=O)C1 34a_100012614533_100000730970 [0,1,0,1,0,0|2,0,0]=4 24943 B13R1.128 CC(O)CCCNC1CNC(=O)C1 2230a_100000697751_200000718107 [0,1,0,1,0,0|2,0,0]=4 24944 B13R1.128 CC(O)CCCOC1CCC(=O)C1 34a_100012614533_200000718107 [0,1,0,1,0,0|1,0,0]=3 24945 B13R1.128 CC(O)CCCOC1CNC(=O)C1 34a_100000690082_200000718107 [0,1,0,1,0,0|2,0,0]=4 24946 B13R1.128 CC(O)CCNCC1CNC(=O)C1 2230a_100016993742_100012276601 [0,1,0,1,0,0|2,0,0]=4 24947 B13R1.128 CC(O)CCNCC1CNC(=O)C1 34a_100016993742_100012276601 [0,1,0,1,0,0|2,0,0]=4 24948 B13R1.128 CC(O)CCNC[C@@H]1CCC(=O)N1 2230a_200000755665_100015189358 [0,1,0,1,0,0|2,0,0]=4 24949 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012276601 [0,1,0,1,0,0|2,0,0]=4 24950 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100012276601 [0,1,0,1,0,0|2,0,0]=4 24951 B13R1.128 CC(O)CCOCC1CCC(=O)N1 34a_100000737831_100012276601 [0,1,0,1,0,0|2,0,0]=4 24952 B13R1.128 CC(O)CCOCC1CNC(=O)C1 34a_100016041077_100012276601 [0,1,0,1,0,0|2,0,0]=4 24953 B13R1.128 CC(O)CCSC[C@@H]1CCC(=O)N1 62a_100012276601_100015189358 [0,1,0,1,0,0|2,0,0]=4 24954 B13R1.128 CC(O)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012276601 [0,1,0,1,0,0|2,0,0]=4 24955 B13R1.128 CC1CCC(C1)NCCCS(=O)C 270004a_200000753449_100011215218 [0,1,0,1,0,0|2,0,0]=4 24956 B13R1.128 CC1CCC(C1)OCCCC(=O)N 34a_100000698185_100102525003 [0,1,0,1,0,0|2,0,0]=4 24957 B13R1.128 CS(=O)CCCNC1CCC(C1)O 270004a_200000753449_100012614533 [0,1,0,1,0,0|2,0,0]=4 24958 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,1,0,1,0,0|1,0,0]=3 24959 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,1,0,1,0,0|1,0,0]=3 24960 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000730704 [0,1,0,1,0,0|2,0,0]=4 24961 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000730704 [0,1,0,1,0,0|2,0,0]=4 24962 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [0,1,0,1,0,0|1,0,0]=3 24963 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [0,1,0,1,0,0|1,0,0]=3 24964 B13R1.158 C=C(C)CCOC1CCCCC1Cl 34a_100000038908_100000730704 [0,1,0,1,0,0|2,0,0]=4 24965 B13R1.158 C=C(C)CCOC1CCCCC1Cl 7a_100000038908_100000730704 [0,1,0,1,0,0|2,0,0]=4 24966 B13R1.158 C=C(C)CCOC1CCCCC1F 34a_100000764851_100015423560 [0,1,0,1,0,0|2,0,0]=4 24967 B13R1.158 C=C(C)CCOC1CCCCC1O 34a_100000764851_100000038908 [0,1,0,1,0,0|2,0,0]=4 24968 B13R1.158 C=C(C)CCOC1CCNCC1C 34a_100011998114_100000730704 [0,1,0,1,0,0|2,0,0]=4 24969 B13R1.158 C=C(C)CCOC1CNCCC1C 34a_100000696640_100000730704 [0,1,0,1,0,0|2,0,0]=4 24970 B13R1.158 C=C(C)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000730704 [0,1,0,1,0,0|2,0,0]=4 24971 B13R1.158 C=C(C)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000730704 [0,1,0,1,0,0|2,0,0]=4 24972 B13R1.158 C=C(C)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000730704 [0,1,0,1,0,0|2,0,0]=4 24973 B13R1.158 C=C(C)CCSC1CCCCC1F 62a_100000730704_100015423560 [0,1,0,1,0,0|2,0,0]=4 24974 B13R1.158 C=C(C)CCSC1CCCCC1F 62a_100015423560_100000730704 [0,1,0,1,0,0|2,0,0]=4 24975 B13R1.158 C=C(C)CCSC1CCCCC1O 62a_100000038908_100000730704 [0,1,0,1,0,0|2,0,0]=4 24976 B13R1.158 C=C(C)CCSC1CCCCC1O 62a_100000730704_100000038908 [0,1,0,1,0,0|2,0,0]=4 24977 B13R1.158 C=C(C)CNCC1CCCCC1O 34a_100011216029_100000748629 [0,1,0,1,0,0|2,0,0]=4 24978 B13R1.158 C=C(C)CNCC1CCCCN1C 34a_100011228421_100000748629 [0,1,0,1,0,0|2,0,0]=4 24979 B13R1.158 C=C(C)COCC1CCCCN1C 34a_100000210245_100015186950 [0,1,0,1,0,0|2,0,0]=4 24980 B13R1.158 C=C(C)COCC1CCCCN1C 34a_100000225079_100000748629 [0,1,0,1,0,0|2,0,0]=4 24981 B13R1.158 C=C(C)CSCC1CCCCN1C 62a_100000748629_100015185383 [0,1,0,1,0,0|2,0,0]=4 24982 B13R1.158 C=C(C)CSCC1CCCCN1C 62a_100015185383_100000211660 [0,1,0,1,0,0|2,0,0]=4 24983 B13R1.158 CC(=CCCN1CCCCC1C)C 2230a_100000211376_100011217483 [0,1,0,1,0,0|1,0,1]=4 24984 B13R1.158 CC(=CCCN1CCCCC1C)C 269982a_100000211376_100011217483 [0,1,0,1,0,0|1,0,1]=4 24985 B13R1.158 CC(=CCCN1CCCCC1C)C 34a_100000211376_100011217483 [0,1,0,1,0,0|1,0,1]=4 24986 B13R1.158 CC(=CCNC1CCCCC1C)C 2230a_100000211402_100000761012 [0,1,0,1,0,0|1,0,1]=4 24987 B13R1.158 CC(=CCNC1CCCCC1C)C 270004a_100000718196_100000210921 [0,1,0,1,0,0|1,0,1]=4 24988 B13R1.158 CC(=CCNC1CCCCC1C)C 34a_100000211402_100000761012 [0,1,0,1,0,0|1,0,1]=4 24989 B13R1.158 CC(=CCOC1CCCCC1C)C 34a_100000211207_100000761012 [0,1,0,1,0,0|1,0,1]=4 24990 B13R1.158 CC(=CCOC1CCCCC1C)C 7a_100000211207_100000761012 [0,1,0,1,0,0|1,0,1]=4 24991 B13R1.158 CC(=O)CCCN1CCCCC1=O 1458a_100011236284_200000210301 [0,1,0,1,0,0|1,0,1]=4 24992 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [0,1,0,1,0,0|0,0,0]=2 24993 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [0,1,0,1,0,0|0,0,0]=2 24994 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100011215641 [0,1,0,1,0,0|1,0,0]=3 24995 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100000685027 [0,1,0,1,0,0|1,0,0]=3 24996 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [0,1,0,1,0,0|1,0,1]=4 24997 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [0,1,0,1,0,0|1,0,1]=4 24998 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,1,0,1,0,0|0,0,0]=2 24999 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [0,1,0,1,0,0|1,0,0]=3 25000 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [0,1,0,1,0,0|1,0,0]=3 25001 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,1,0,1,0,0|1,0,0]=3 25002 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [0,1,0,1,0,0|1,0,0]=3 25003 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [0,1,0,1,0,0|1,0,1]=4 25004 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [0,1,0,1,0,0|1,0,1]=4 25005 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [0,1,0,1,0,0|1,0,0]=3 25006 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [0,1,0,1,0,0|1,0,0]=3 25007 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,1,0,1,0,0|1,0,0]=3 25008 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,1,0,1,0,0|1,0,0]=3 25009 B13R1.158 CC(=O)COCC1CCCCN1C 34a_100000211253_100015186950 [0,1,0,1,0,0|1,0,0]=3 25010 B13R1.158 CC(=O)NCCC1CCCCN1C 2230a_200011221479_200000210301 [0,1,0,1,0,0|1,0,0]=3 25011 B13R1.158 CC(=O)NCCC1CCCCN1C 269982a_200011221479_200000210301 [0,1,0,1,0,0|1,0,0]=3 25012 B13R1.158 CC(=O)NCCC1CCCCN1C 34a_200011221479_200000210301 [0,1,0,1,0,0|1,0,0]=3 25013 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 2230a_200011221479_200025704644 [0,1,0,1,0,0|1,0,0]=3 25014 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 269982a_200011221479_200025704644 [0,1,0,1,0,0|1,0,0]=3 25015 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 34a_200011221479_200025704644 [0,1,0,1,0,0|1,0,0]=3 25016 B13R1.158 CC(=O)NCCN1CCCCC1C 2230a_100000211376_100000189650 [0,1,0,1,0,0|1,0,0]=3 25017 B13R1.158 CC(=O)NCCN1CCCCC1C 240690a_100000739827_100015343762 [0,1,0,1,0,0|1,0,0]=3 25018 B13R1.158 CC(=O)NCCN1CCCCC1C 269982a_100000211376_100000189650 [0,1,0,1,0,0|1,0,0]=3 25019 B13R1.158 CC(=O)NCCN1CCCCC1C 527a_100000739827_100103153847 [0,1,0,1,0,0|1,0,0]=3 25020 B13R1.158 CC(=O)NCCN1CCOC[C@@H]1C 2230a_100009815349_100000189650 [0,1,0,1,0,0|2,0,0]=4 25021 B13R1.158 CC(=O)NCCN1CCOC[C@@H]1C 269982a_100009815349_100000189650 [0,1,0,1,0,0|2,0,0]=4 25022 B13R1.158 CC(=O)OCCN1CCCCC1C 269982a_100000211376_100009814007 [0,1,0,1,0,0|1,0,0]=3 25023 B13R1.158 CC(=O)OCCN1CCCCC1C 34a_100000211376_100009814007 [0,1,0,1,0,0|1,0,0]=3 25024 B13R1.158 CC(=O)OCCN1CCOC[C@@H]1C 269982a_100009815349_100009814007 [0,1,0,1,0,0|2,0,0]=4 25025 B13R1.158 CC(=O)OCCN1CCOC[C@@H]1C 34a_100009815349_100009814007 [0,1,0,1,0,0|2,0,0]=4 25026 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [0,1,0,1,0,0|1,0,0]=3 25027 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009813279 [0,1,0,1,0,0|2,0,0]=4 25028 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [0,1,0,1,0,0|1,0,0]=3 25029 B13R1.158 CC(=O)OCOC1CCCCC1Cl 34a_100000038908_100009813279 [0,1,0,1,0,0|2,0,0]=4 25030 B13R1.158 CC(=O)OCOC1CCNCC1C 34a_100011998114_100009813279 [0,1,0,1,0,0|2,0,0]=4 25031 B13R1.158 CC(=O)OCOC1CNCCC1C 34a_100000696640_100009813279 [0,1,0,1,0,0|2,0,0]=4 25032 B13R1.158 CC(=O)OCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009813279 [0,1,0,1,0,0|2,0,0]=4 25033 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009813279 [0,1,0,1,0,0|2,0,0]=4 25034 B13R1.158 CC(=O)OCSC1CCCCC1F 62a_100000076356_100015423560 [0,1,0,1,0,0|2,0,0]=4 25035 B13R1.158 CC(=O)OCSC1CCCCC1F 62a_100015423560_100000076356 [0,1,0,1,0,0|2,0,0]=4 25036 B13R1.158 CC(=O)OCSC1CCCCC1O 62a_100000038908_100000076356 [0,1,0,1,0,0|2,0,0]=4 25037 B13R1.158 CC(=O)OCSC1CCCCC1O 62a_100000076356_100000038908 [0,1,0,1,0,0|2,0,0]=4 25038 B13R1.158 CC(C)CCCN1CCCCC1C 2230a_100000211376_100011214892 [0,1,0,1,0,0|1,0,1]=4 25039 B13R1.158 CC(C)CCCN1CCCCC1C 269982a_100000211376_100011214892 [0,1,0,1,0,0|1,0,1]=4 25040 B13R1.158 CC(C)CCCN1CCCCC1C 34a_100000211376_100011214892 [0,1,0,1,0,0|1,0,1]=4 25041 B13R1.158 CC(C)CCNC1CCCCC1C 2230a_100000211402_100000210312 [0,1,0,1,0,0|1,0,1]=4 25042 B13R1.158 CC(C)CCNC1CCCCC1C 269862a_100000210545_100000210921 [0,1,0,1,0,0|1,0,1]=4 25043 B13R1.158 CC(C)CCNC1CCCCC1C 269862a_100000211402_100000185833 [0,1,0,1,0,0|1,0,1]=4 25044 B13R1.158 CC(C)CCNC1CCCCC1C 270004a_100000210545_100000210921 [0,1,0,1,0,0|1,0,1]=4 25045 B13R1.158 CC(C)CCNC1CCCCC1C 34a_100000211402_100000210312 [0,1,0,1,0,0|1,0,1]=4 25046 B13R1.158 CC(C)CCOC1CCCCC1C 34a_100000211207_100000210312 [0,1,0,1,0,0|1,0,1]=4 25047 B13R1.158 CC(C)CCOC1CCCCC1C 7a_100000211207_100000210626 [0,1,0,1,0,0|1,0,1]=4 25048 B13R1.158 CC(O)CCCN1CCCCC1C 2230a_100000211376_200000718107 [0,1,0,1,0,0|0,0,2]=4 25049 B13R1.158 CC(O)CCCN1CCCCC1C 269982a_100000211376_200000718107 [0,1,0,1,0,0|0,0,2]=4 25050 B13R1.158 CC(O)CCCN1CCCCC1C 34a_100000211376_200000718107 [0,1,0,1,0,0|0,0,2]=4 25051 B13R1.158 CC(O)CCNC1CCCCC1C 2230a_100000211402_100012276601 [0,1,0,1,0,0|0,0,2]=4 25052 B13R1.158 CC(O)CCNC1CCCCC1C 269862a_200000755665_100000210921 [0,1,0,1,0,0|0,0,2]=4 25053 B13R1.158 CC(O)CCNC1CCCCC1C 270004a_200000755665_100000210921 [0,1,0,1,0,0|0,0,2]=4 25054 B13R1.158 CC(O)CCNC1CCCCC1C 34a_100000211402_100012276601 [0,1,0,1,0,0|0,0,2]=4 25055 B13R1.158 CC(O)CCOC1CCCCC1C 34a_100000211207_100012276601 [0,1,0,1,0,0|0,0,2]=4 25056 B13R1.158 CC(O)CCOC1CCCCC1C 7a_100000211207_100012276601 [0,1,0,1,0,0|0,0,2]=4 25057 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,1,0,1,0,0|1,0,0]=3 25058 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,1,0,1,0,0|1,0,0]=3 25059 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,1,0,1,0,0|1,0,0]=3 25060 B13R1.158 CC1CCCCC1NCCN(C)C 269862a_100000210585_100000210921 [0,1,0,1,0,0|2,0,0]=4 25061 B13R1.158 CC1CCCCC1NCCN(C)C 270004a_100000210585_100000210921 [0,1,0,1,0,0|2,0,0]=4 25062 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,1,0,1,0,0|1,0,0]=3 25063 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,1,0,1,0,0|1,0,0]=3 25064 B13R1.158 CC1CCCCC1OCCN(C)C 7a_100000211207_100000755713 [0,1,0,1,0,0|2,0,0]=4 25065 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [0,1,0,1,0,0|1,0,0]=3 25066 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [0,1,0,1,0,0|1,0,0]=3 25067 B13R1.158 CC1CCCCN1CCCN(C)C 269982a_100000211376_100000757444 [0,1,0,1,0,0|2,0,0]=4 25068 B13R1.158 CC1CCCCN1CCNC(=O)N 2230a_100000211376_200000034859 [0,1,0,1,0,0|2,0,0]=4 25069 B13R1.158 CC1CCCCN1CCNC(=O)N 269982a_100000211376_200000034859 [0,1,0,1,0,0|2,0,0]=4 25070 B13R1.158 CC1CCCCN1CCOC(=O)N 269982a_100000211376_200011214921 [0,1,0,1,0,0|2,0,0]=4 25071 B13R1.158 CC1CCCCN1CCOC(=O)N 34a_100000211376_200011214921 [0,1,0,1,0,0|2,0,0]=4 25072 B13R1.158 CC1CCNCC1OCCC(=O)N 34a_100000696640_100000731001 [0,1,0,1,0,0|2,0,0]=4 25073 B13R1.158 CC1CNCCC1OCCC(=O)N 34a_100011998114_100000731001 [0,1,0,1,0,0|2,0,0]=4 25074 B13R1.158 CN1CCCCC1CNCC(=O)N 34a_100011228421_100000187820 [0,1,0,1,0,0|2,0,0]=4 25075 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,1,0,1,0,0|2,0,0]=4 25076 B13R1.158 CN1CCCCC1CNCC(=O)[O-] 34a_100011228421_100020667443 [0,1,0,1,0,0|2,0,0]=4 25077 B13R1.158 CN1CCCCC1COCC(=O)N 34a_100000225079_100000187820 [0,1,0,1,0,0|2,0,0]=4 25078 B13R1.158 CN1CCCCC1COCC(=O)[O-] 34a_100000225079_100020667443 [0,1,0,1,0,0|2,0,0]=4 25079 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100000747473_100015185383 [0,1,0,1,0,0|2,0,0]=4 25080 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100015185383_100000747473 [0,1,0,1,0,0|2,0,0]=4 25081 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100015185383_100020667443 [0,1,0,1,0,0|2,0,0]=4 25082 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100020667443_100015185383 [0,1,0,1,0,0|2,0,0]=4 25083 B13R1.158 C[C@H]1COCCN1CCCC(=O)N 269982a_100009815349_100102525003 [0,1,0,1,0,0|2,0,0]=4 25084 B13R1.158 C[C@H]1COCCN1CCCC(=O)N 34a_100009815349_100102525003 [0,1,0,1,0,0|2,0,0]=4 25085 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000744528 [0,1,0,1,0,0|2,0,0]=4 25086 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000731001 [0,1,0,1,0,0|2,0,0]=4 25087 B13R1.158 NC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000731001 [0,1,0,1,0,0|2,0,0]=4 25088 B13R1.158 NC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000744528 [0,1,0,1,0,0|2,0,0]=4 25089 B13R1.158 NC(=O)CCOC1CCCCC1F 34a_100000757172_100015423560 [0,1,0,1,0,0|2,0,0]=4 25090 B13R1.158 NC(=O)CCOC1CCCCC1O 34a_100000757172_100000038908 [0,1,0,1,0,0|2,0,0]=4 25091 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000731001 [0,1,0,1,0,0|2,0,0]=4 25092 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000744528 [0,1,0,1,0,0|2,0,0]=4 25093 B13R1.158 NC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000731001 [0,1,0,1,0,0|2,0,0]=4 25094 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100000744528_100015423560 [0,1,0,1,0,0|2,0,0]=4 25095 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100015423560_100000744528 [0,1,0,1,0,0|2,0,0]=4 25096 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000038908_100000744528 [0,1,0,1,0,0|2,0,0]=4 25097 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000744528_100000038908 [0,1,0,1,0,0|2,0,0]=4 25098 B13R1.158 NC(=O)CNCC1CCCCC1O 34a_100011216029_100000187820 [0,1,0,1,0,0|2,0,0]=4 25099 B13R1.158 O=C([O-])CNCC1CCCCC1O 34a_100011216029_100020667443 [0,1,0,1,0,0|2,0,0]=4 25100 B13R1.158 [13CH3]C(=O)CCCN1CCCCC1=O 1458a_100011236284_200025704644 [0,1,0,1,0,0|1,0,1]=4 25101 B13R1.337 C=C(Br)CCOCC1CCCCC1 34a_100009813270_100000211423 [0,1,0,1,0,0|1,0,1]=4 25102 B13R1.337 C=C(C)CCNCC1CCCCC1 2230a_100000210473_100000730704 [0,1,0,1,0,0|1,0,0]=3 25103 B13R1.337 C=C(C)CCNCC1CCCCC1 34a_100000210473_100000730704 [0,1,0,1,0,0|1,0,0]=3 25104 B13R1.337 C=C(C)CCNCC1CCCCO1 2230a_100000174945_100000730704 [0,1,0,1,0,0|2,0,0]=4 25105 B13R1.337 C=C(C)CCNCC1CCCCO1 34a_100000174945_100000730704 [0,1,0,1,0,0|2,0,0]=4 25106 B13R1.337 C=C(C)CCNCC1CCCOC1 2230a_100000720124_100000730704 [0,1,0,1,0,0|2,0,0]=4 25107 B13R1.337 C=C(C)CCNCC1CCCOC1 34a_100000720124_100000730704 [0,1,0,1,0,0|2,0,0]=4 25108 B13R1.337 C=C(C)CCNCC1CCOCC1 2230a_100000746373_100000730704 [0,1,0,1,0,0|2,0,0]=4 25109 B13R1.337 C=C(C)CCNCC1CCOCC1 34a_100000746373_100000730704 [0,1,0,1,0,0|2,0,0]=4 25110 B13R1.337 C=C(C)CCNCC1CCSCC1 2230a_100015188806_100000730704 [0,1,0,1,0,0|2,0,0]=4 25111 B13R1.337 C=C(C)CCNCC1CCSCC1 34a_100015188806_100000730704 [0,1,0,1,0,0|2,0,0]=4 25112 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000212181_100000730704 [0,1,0,1,0,0|1,0,0]=3 25113 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000764851_100000211423 [0,1,0,1,0,0|1,0,0]=3 25114 B13R1.337 C=C(C)CCOCC1CCCCC1 7a_100000212181_100000730704 [0,1,0,1,0,0|1,0,0]=3 25115 B13R1.337 C=C(C)CCOCC1CCCCN1 34a_100000210821_100000730704 [0,1,0,1,0,0|2,0,0]=4 25116 B13R1.337 C=C(C)CCOCC1CCCCO1 34a_100000211370_100000730704 [0,1,0,1,0,0|2,0,0]=4 25117 B13R1.337 C=C(C)CCOCC1CCCCO1 34a_100000764851_100000211543 [0,1,0,1,0,0|2,0,0]=4 25118 B13R1.337 C=C(C)CCOCC1CCCCO1 7a_100000211370_100000730704 [0,1,0,1,0,0|2,0,0]=4 25119 B13R1.337 C=C(C)CCOCC1CCCNC1 34a_100000211344_100000730704 [0,1,0,1,0,0|2,0,0]=4 25120 B13R1.337 C=C(C)CCOCC1CCCOC1 34a_100000741520_100000730704 [0,1,0,1,0,0|2,0,0]=4 25121 B13R1.337 C=C(C)CCOCC1CCCOC1 34a_100000764851_100000741521 [0,1,0,1,0,0|2,0,0]=4 25122 B13R1.337 C=C(C)CCOCC1CCNCC1 34a_100000738675_100000730704 [0,1,0,1,0,0|2,0,0]=4 25123 B13R1.337 C=C(C)CCOCC1CCOCC1 34a_100000749013_100000730704 [0,1,0,1,0,0|2,0,0]=4 25124 B13R1.337 C=C(C)CCOCC1CCOCC1 34a_100000764851_100000754603 [0,1,0,1,0,0|2,0,0]=4 25125 B13R1.337 C=C(C)CCOCC1CCSCC1 34a_100000070558_100000730704 [0,1,0,1,0,0|2,0,0]=4 25126 B13R1.337 C=C(C)CCOCC1CCSCC1 7a_100000070558_100000730704 [0,1,0,1,0,0|2,0,0]=4 25127 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000211423_100000730704 [0,1,0,1,0,0|1,0,0]=3 25128 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000730704_100000211423 [0,1,0,1,0,0|1,0,0]=3 25129 B13R1.337 C=C(C)CCSCC1CCCCO1 62a_100000211543_100000730704 [0,1,0,1,0,0|2,0,0]=4 25130 B13R1.337 C=C(C)CCSCC1CCCCO1 62a_100000730704_100000211543 [0,1,0,1,0,0|2,0,0]=4 25131 B13R1.337 C=C(C)CCSCC1CCCOC1 62a_100000730704_100000741521 [0,1,0,1,0,0|2,0,0]=4 25132 B13R1.337 C=C(C)CCSCC1CCCOC1 62a_100000741521_100000730704 [0,1,0,1,0,0|2,0,0]=4 25133 B13R1.337 C=C(C)CCSCC1CCOCC1 62a_100000730704_100000749018 [0,1,0,1,0,0|2,0,0]=4 25134 B13R1.337 C=C(C)CCSCC1CCOCC1 62a_100000754603_100000730704 [0,1,0,1,0,0|2,0,0]=4 25135 B13R1.337 C=C(C)CNCCC1CCCCC1 2230a_100000738074_100000748629 [0,1,0,1,0,0|1,0,0]=3 25136 B13R1.337 C=C(C)CNCCC1CCCCC1 34a_100000738074_100000748629 [0,1,0,1,0,0|1,0,0]=3 25137 B13R1.337 C=C(C)CNCCC1CCCCO1 2230a_100015183643_100000748629 [0,1,0,1,0,0|2,0,0]=4 25138 B13R1.337 C=C(C)CNCCC1CCCCO1 34a_100015183643_100000748629 [0,1,0,1,0,0|2,0,0]=4 25139 B13R1.337 C=C(C)CNCCC1CCOCC1 2230a_100000755988_100000748629 [0,1,0,1,0,0|2,0,0]=4 25140 B13R1.337 C=C(C)CNCCC1CCOCC1 34a_100000755988_100000748629 [0,1,0,1,0,0|2,0,0]=4 25141 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100000210245_100011209188 [0,1,0,1,0,0|1,0,0]=3 25142 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100011217863_100000748629 [0,1,0,1,0,0|1,0,0]=3 25143 B13R1.337 C=C(C)COCCC1CCCCC1 7a_100011217863_100000748629 [0,1,0,1,0,0|1,0,0]=3 25144 B13R1.337 C=C(C)COCCC1CCCCN1 34a_100000211664_100000748629 [0,1,0,1,0,0|2,0,0]=4 25145 B13R1.337 C=C(C)COCCC1CCCNC1 34a_100000752241_100000748629 [0,1,0,1,0,0|2,0,0]=4 25146 B13R1.337 C=C(C)COCCC1CCNCC1 34a_100015190746_100000748629 [0,1,0,1,0,0|2,0,0]=4 25147 B13R1.337 C=C(C)COCCC1CCOCC1 34a_100000210245_100011934994 [0,1,0,1,0,0|2,0,0]=4 25148 B13R1.337 C=C(C)COCCC1CCOCC1 34a_100011933979_100000748629 [0,1,0,1,0,0|2,0,0]=4 25149 B13R1.337 C=C(C)COCCC1CCOCC1 7a_100011933979_100000748629 [0,1,0,1,0,0|2,0,0]=4 25150 B13R1.337 C=C(C)COCCN1CCCCC1 34a_100000210245_100000739454 [0,1,0,1,0,0|2,0,0]=4 25151 B13R1.337 C=C(C)COCOC1CCCCC1 34a_100000210245_100011935260 [0,1,0,1,0,0|2,0,0]=4 25152 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100000748629_100012355289 [0,1,0,1,0,0|1,0,0]=3 25153 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100012355289_100000211660 [0,1,0,1,0,0|1,0,0]=3 25154 B13R1.337 C=C(C)CSCCC1CCOCC1 62a_100000748629_100011934994 [0,1,0,1,0,0|2,0,0]=4 25155 B13R1.337 C=C(C)CSCCC1CCOCC1 62a_100011934994_100000211660 [0,1,0,1,0,0|2,0,0]=4 25156 B13R1.337 C=C(C)CSCCN1CCCCC1 62a_100000739454_100000211660 [0,1,0,1,0,0|2,0,0]=4 25157 B13R1.337 C=C(C)CSCCN1CCCCC1 62a_100000748629_100000739454 [0,1,0,1,0,0|2,0,0]=4 25158 B13R1.337 C=C(C)CSCOC1CCCCC1 62a_100000748629_100011935260 [0,1,0,1,0,0|2,0,0]=4 25159 B13R1.337 C=C(C)CSCOC1CCCCC1 62a_100011935260_100000211660 [0,1,0,1,0,0|2,0,0]=4 25160 B13R1.337 C=C(F)CNCCC1CCCCC1 2230a_100000738074_100009893438 [0,1,0,1,0,0|1,0,1]=4 25161 B13R1.337 C=C(F)CNCCC1CCCCC1 34a_100000738074_100009893438 [0,1,0,1,0,0|1,0,1]=4 25162 B13R1.337 C=C(F)COCCC1CCCCC1 34a_100011217863_100009893438 [0,1,0,1,0,0|1,0,1]=4 25163 B13R1.337 C=C(F)COCCC1CCCCC1 34a_200010262243_100011209188 [0,1,0,1,0,0|1,0,1]=4 25164 B13R1.337 C=C(F)COCCC1CCCCC1 7a_100011217863_100000042424 [0,1,0,1,0,0|1,0,1]=4 25165 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100000042424_100012355289 [0,1,0,1,0,0|1,0,1]=4 25166 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100012355289_100000042424 [0,1,0,1,0,0|1,0,1]=4 25167 B13R1.337 CC(=CCCNC1CCCCC1)C 2230a_100000182618_100011217483 [0,1,0,1,0,0|1,0,1]=4 25168 B13R1.337 CC(=CCCNC1CCCCC1)C 34a_100000182618_100011217483 [0,1,0,1,0,0|1,0,1]=4 25169 B13R1.337 CC(=CCCOC1CCCCC1)C 34a_100000210231_100011217483 [0,1,0,1,0,0|1,0,1]=4 25170 B13R1.337 CC(=CCCOC1CCCCC1)C 7a_100000210231_100011217483 [0,1,0,1,0,0|1,0,1]=4 25171 B13R1.337 CC(=CCCSC1CCCCC1)C 62a_100000210327_100011217483 [0,1,0,1,0,0|1,0,1]=4 25172 B13R1.337 CC(=CCCSC1CCCCC1)C 62a_100011217483_100000210327 [0,1,0,1,0,0|1,0,1]=4 25173 B13R1.337 CC(=CCNCC1CCCCC1)C 2230a_100000210473_100000761012 [0,1,0,1,0,0|1,0,1]=4 25174 B13R1.337 CC(=CCNCC1CCCCC1)C 34a_100000210473_100000761012 [0,1,0,1,0,0|1,0,1]=4 25175 B13R1.337 CC(=CCNCC1CCCCC1)C 34a_100000718196_100000211423 [0,1,0,1,0,0|1,0,1]=4 25176 B13R1.337 CC(=CCOCC1CCCCC1)C 34a_100000212181_100000761012 [0,1,0,1,0,0|1,0,1]=4 25177 B13R1.337 CC(=CCOCC1CCCCC1)C 34a_100000753907_100000211423 [0,1,0,1,0,0|1,0,1]=4 25178 B13R1.337 CC(=CCOCC1CCCCC1)C 7a_100000212181_100000761012 [0,1,0,1,0,0|1,0,1]=4 25179 B13R1.337 CC(=CCSCC1CCCCC1)C 62a_100000211423_100000761012 [0,1,0,1,0,0|1,0,1]=4 25180 B13R1.337 CC(=CCSCC1CCCCC1)C 62a_100000761012_100000211423 [0,1,0,1,0,0|1,0,1]=4 25181 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,1,0,1,0,0|0,0,0]=2 25182 B13R1.337 CC(=O)CCCCN1CC=CCC1 269982a_100000698166_100000735457 [0,1,0,1,0,0|0,0,2]=4 25183 B13R1.337 CC(=O)CCCCN1CC=CCC1 34a_100000698166_100009817362 [0,1,0,1,0,0|0,0,2]=4 25184 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [0,1,0,1,0,0|0,0,0]=2 25185 B13R1.337 CC(=O)CCCCN1CCCOC1 269982a_100000131196_100000735457 [0,1,0,1,0,0|1,0,0]=3 25186 B13R1.337 CC(=O)CCCCN1CCCOC1 34a_100000131196_100009817362 [0,1,0,1,0,0|1,0,0]=3 25187 B13R1.337 CC(=O)CCCCN1CCOCC1 269982a_100015191051_100000735457 [0,1,0,1,0,0|1,0,0]=3 25188 B13R1.337 CC(=O)CCCCN1CCOCC1 34a_100015191051_100009817362 [0,1,0,1,0,0|1,0,0]=3 25189 B13R1.337 CC(=O)CCCCN1CCSCC1 269982a_100000737611_100000735457 [0,1,0,1,0,0|1,0,0]=3 25190 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [0,1,0,1,0,0|0,0,0]=2 25191 B13R1.337 CC(=O)CCCNC1CCCOC1 34a_100000719290_100000685027 [0,1,0,1,0,0|1,0,0]=3 25192 B13R1.337 CC(=O)CCCNC1CCOCC1 34a_100000741149_100000685027 [0,1,0,1,0,0|1,0,0]=3 25193 B13R1.337 CC(=O)CCCNC1CCSCC1 34a_100000748639_100000685027 [0,1,0,1,0,0|1,0,0]=3 25194 B13R1.337 CC(=O)CCCOC1C=CCCC1 34a_100011215024_100000685027 [0,1,0,1,0,0|0,0,2]=4 25195 B13R1.337 CC(=O)CCCOC1C=CCCC1 7a_100000759063_100000751183 [0,1,0,1,0,0|0,0,2]=4 25196 B13R1.337 CC(=O)CCCOC1CC=CCC1 34a_100000073881_100000685027 [0,1,0,1,0,0|0,0,2]=4 25197 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [0,1,0,1,0,0|0,0,0]=2 25198 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [0,1,0,1,0,0|0,0,0]=2 25199 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [0,1,0,1,0,0|0,0,0]=2 25200 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [0,1,0,1,0,0|0,0,0]=2 25201 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [0,1,0,1,0,0|1,0,0]=3 25202 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [0,1,0,1,0,0|1,0,0]=3 25203 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000754041_100000685027 [0,1,0,1,0,0|1,0,0]=3 25204 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000759063_100000693364 [0,1,0,1,0,0|1,0,0]=3 25205 B13R1.337 CC(=O)CCCOC1CCCOC1 7a_100000759063_100000693364 [0,1,0,1,0,0|1,0,0]=3 25206 B13R1.337 CC(=O)CCCOC1CCCSC1 7a_100015962668_100011215641 [0,1,0,1,0,0|1,0,0]=3 25207 B13R1.337 CC(=O)CCCOC1CCOCC1 34a_100000744328_100000685027 [0,1,0,1,0,0|1,0,0]=3 25208 B13R1.337 CC(=O)CCCOC1CCOCC1 7a_100000759063_100000686592 [0,1,0,1,0,0|1,0,0]=3 25209 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000731022_100000685027 [0,1,0,1,0,0|1,0,0]=3 25210 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000759063_100000069128 [0,1,0,1,0,0|1,0,0]=3 25211 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000731022_100011215641 [0,1,0,1,0,0|1,0,0]=3 25212 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000759063_100011500858 [0,1,0,1,0,0|1,0,0]=3 25213 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100000751183_100011215641 [0,1,0,1,0,0|0,0,2]=4 25214 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100011215641_100000751183 [0,1,0,1,0,0|0,0,2]=4 25215 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [0,1,0,1,0,0|0,0,0]=2 25216 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [0,1,0,1,0,0|0,0,0]=2 25217 B13R1.337 CC(=O)CCCSC1CCCOC1 62a_100011215641_100000693364 [0,1,0,1,0,0|1,0,0]=3 25218 B13R1.337 CC(=O)CCCSC1CCOCC1 62a_100011215641_100011324220 [0,1,0,1,0,0|1,0,0]=3 25219 B13R1.337 CC(=O)CCCSC1CCSCC1 62a_100011215641_100000069128 [0,1,0,1,0,0|1,0,0]=3 25220 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [0,1,0,1,0,0|0,0,0]=2 25221 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [0,1,0,1,0,0|0,0,0]=2 25222 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [0,1,0,1,0,0|0,0,0]=2 25223 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,1,0,1,0,0|1,0,0]=3 25224 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,1,0,1,0,0|1,0,0]=3 25225 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,1,0,1,0,0|1,0,0]=3 25226 B13R1.337 CC(=O)CCOCC1CCCOC1 34a_100000759926_100000741521 [0,1,0,1,0,0|1,0,0]=3 25227 B13R1.337 CC(=O)CCOCC1CCCOC1 7a_100000759926_100000741521 [0,1,0,1,0,0|1,0,0]=3 25228 B13R1.337 CC(=O)CCOCC1CCOCC1 34a_100000759926_100000754603 [0,1,0,1,0,0|1,0,0]=3 25229 B13R1.337 CC(=O)CCOCC1CCOCC1 7a_100000759926_100000754603 [0,1,0,1,0,0|1,0,0]=3 25230 B13R1.337 CC(=O)CCOCC1CCSCC1 7a_100000070558_100000053229 [0,1,0,1,0,0|1,0,0]=3 25231 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [0,1,0,1,0,0|0,0,0]=2 25232 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [0,1,0,1,0,0|0,0,0]=2 25233 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [0,1,0,1,0,0|1,0,0]=3 25234 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [0,1,0,1,0,0|1,0,0]=3 25235 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000053229_100000741521 [0,1,0,1,0,0|1,0,0]=3 25236 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000741521_100000053229 [0,1,0,1,0,0|1,0,0]=3 25237 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000053229_100000749018 [0,1,0,1,0,0|1,0,0]=3 25238 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000754603_100000053229 [0,1,0,1,0,0|1,0,0]=3 25239 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [0,1,0,1,0,0|0,0,0]=2 25240 B13R1.337 CC(=O)COCCC1CCOCC1 34a_100000211253_100011934994 [0,1,0,1,0,0|1,0,0]=3 25241 B13R1.337 CC(=O)COCCC1OCCCO1 34a_100000211253_100000764188 [0,1,0,1,0,0|2,0,0]=4 25242 B13R1.337 CC(=O)COCCN1CCCCC1 34a_100000211253_100000739454 [0,1,0,1,0,0|1,0,0]=3 25243 B13R1.337 CC(=O)COCOC1CCCCC1 34a_100000211253_100011935260 [0,1,0,1,0,0|1,0,0]=3 25244 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [0,1,0,1,0,0|0,0,0]=2 25245 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [0,1,0,1,0,0|0,0,0]=2 25246 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [0,1,0,1,0,0|0,0,0]=2 25247 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [0,1,0,1,0,0|0,0,0]=2 25248 B13R1.337 CC(=O)NCCCN1CCCCC1 240690a_100000204581_100015343762 [0,1,0,1,0,0|1,0,0]=3 25249 B13R1.337 CC(=O)NCCCN1CCCCC1 527a_100000204581_100103153847 [0,1,0,1,0,0|1,0,0]=3 25250 B13R1.337 CC(=O)NCCCN1CCOCC1 240690a_100000210481_100015343762 [0,1,0,1,0,0|2,0,0]=4 25251 B13R1.337 CC(=O)NCCCN1CCOCC1 527a_100000210481_100103153847 [0,1,0,1,0,0|2,0,0]=4 25252 B13R1.337 CC(=O)NCCNC1CCCCC1 2230a_100000182618_100000189650 [0,1,0,1,0,0|1,0,0]=3 25253 B13R1.337 CC(=O)NCCNC1CCCOC1 2230a_100000719290_100000189650 [0,1,0,1,0,0|2,0,0]=4 25254 B13R1.337 CC(=O)NCCNC1CCOCC1 2230a_100000741149_100000189650 [0,1,0,1,0,0|2,0,0]=4 25255 B13R1.337 CC(=O)NCCNC1CCSCC1 2230a_100000748639_100000189650 [0,1,0,1,0,0|2,0,0]=4 25256 B13R1.337 CC(=O)NCCOC1CCCCC1 11a_100015206981_100015343762 [0,1,0,1,0,0|1,0,0]=3 25257 B13R1.337 CC(=O)NCCOC1CCCCC1 1626a_100015206981_100015343762 [0,1,0,1,0,0|1,0,0]=3 25258 B13R1.337 CC(=O)NCCOC1CCCCC1 240690a_100015206981_100015343762 [0,1,0,1,0,0|1,0,0]=3 25259 B13R1.337 CC(=O)NCCOC1CCCCC1 34a_100000158858_100000210327 [0,1,0,1,0,0|1,0,0]=3 25260 B13R1.337 CC(=O)NCCOC1CCCCC1 527a_100015206981_100103153847 [0,1,0,1,0,0|1,0,0]=3 25261 B13R1.337 CC(=O)NCCOC1CCCCC1 7a_100000210231_100000189650 [0,1,0,1,0,0|1,0,0]=3 25262 B13R1.337 CC(=O)NCCOC1CCCOC1 34a_100000158858_100000693364 [0,1,0,1,0,0|2,0,0]=4 25263 B13R1.337 CC(=O)NCCOC1CCCSC1 7a_100015962668_100000189650 [0,1,0,1,0,0|2,0,0]=4 25264 B13R1.337 CC(=O)NCCOC1CCSCC1 34a_100000158858_100000069128 [0,1,0,1,0,0|2,0,0]=4 25265 B13R1.337 CC(=O)NCCOC1CCSCC1 7a_100000731022_100000189650 [0,1,0,1,0,0|2,0,0]=4 25266 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000189650_100000210327 [0,1,0,1,0,0|1,0,0]=3 25267 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000210327_100000189650 [0,1,0,1,0,0|1,0,0]=3 25268 B13R1.337 CC(=O)NCCSC1CCCOC1 62a_100000189650_100000693364 [0,1,0,1,0,0|2,0,0]=4 25269 B13R1.337 CC(=O)NCCSC1CCOCC1 62a_100000189650_100011324220 [0,1,0,1,0,0|2,0,0]=4 25270 B13R1.337 CC(=O)NCCSC1CCSCC1 62a_100000189650_100000069128 [0,1,0,1,0,0|2,0,0]=4 25271 B13R1.337 CC(=O)NN=CCC1CCCCC1 4a_100000189765_100011713444 [0,1,0,1,0,0|1,0,1]=4 25272 B13R1.337 CC(=O)NNCCN1CCCCC1 22a_100000739400_100000070787 [0,1,0,1,0,0|2,0,0]=4 25273 B13R1.337 CC(=O)OCCCN1CCCOC1 269982a_100000131196_100000042594 [0,1,0,1,0,0|2,0,0]=4 25274 B13R1.337 CC(=O)OCCCN1CCCOC1 34a_100000131196_100000042594 [0,1,0,1,0,0|2,0,0]=4 25275 B13R1.337 CC(=O)OCCCN1CCOCC1 269982a_100015191051_100000042594 [0,1,0,1,0,0|2,0,0]=4 25276 B13R1.337 CC(=O)OCCCN1CCOCC1 34a_100015191051_100000042594 [0,1,0,1,0,0|2,0,0]=4 25277 B13R1.337 CC(=O)OCCCN1CCSCC1 269982a_100000737611_100000042594 [0,1,0,1,0,0|2,0,0]=4 25278 B13R1.337 CC(=O)OCCNC1CCCCC1 34a_100000182618_100009814007 [0,1,0,1,0,0|1,0,0]=3 25279 B13R1.337 CC(=O)OCCNC1CCCOC1 34a_100000719290_100009814007 [0,1,0,1,0,0|2,0,0]=4 25280 B13R1.337 CC(=O)OCCNC1CCOCC1 34a_100000741149_100009814007 [0,1,0,1,0,0|2,0,0]=4 25281 B13R1.337 CC(=O)OCCNC1CCSCC1 34a_100000748639_100009814007 [0,1,0,1,0,0|2,0,0]=4 25282 B13R1.337 CC(=O)OCCOC1CCCCC1 34a_100000210231_100009814007 [0,1,0,1,0,0|1,0,0]=3 25283 B13R1.337 CC(=O)OCCOC1CCCCC1 7a_100000210231_100009814007 [0,1,0,1,0,0|1,0,0]=3 25284 B13R1.337 CC(=O)OCCOC1CCCCO1 34a_100000033831_100009814007 [0,1,0,1,0,0|2,0,0]=4 25285 B13R1.337 CC(=O)OCCOC1CCCOC1 34a_100000754041_100009814007 [0,1,0,1,0,0|2,0,0]=4 25286 B13R1.337 CC(=O)OCCOC1CCCSC1 7a_100015962668_100009814007 [0,1,0,1,0,0|2,0,0]=4 25287 B13R1.337 CC(=O)OCCOC1CCOCC1 34a_100000744328_100009814007 [0,1,0,1,0,0|2,0,0]=4 25288 B13R1.337 CC(=O)OCCOC1CCSCC1 34a_100000731022_100009814007 [0,1,0,1,0,0|2,0,0]=4 25289 B13R1.337 CC(=O)OCCOC1CCSCC1 7a_100000731022_100009814007 [0,1,0,1,0,0|2,0,0]=4 25290 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100000210327_100009814007 [0,1,0,1,0,0|1,0,0]=3 25291 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100009814007_100000210327 [0,1,0,1,0,0|1,0,0]=3 25292 B13R1.337 CC(=O)OCCSC1CCCOC1 62a_100009814007_100000693364 [0,1,0,1,0,0|2,0,0]=4 25293 B13R1.337 CC(=O)OCCSC1CCOCC1 62a_100009814007_100011324220 [0,1,0,1,0,0|2,0,0]=4 25294 B13R1.337 CC(=O)OCCSC1CCSCC1 62a_100009814007_100000069128 [0,1,0,1,0,0|2,0,0]=4 25295 B13R1.337 CC(=O)OCNCC1CCCCC1 34a_100000210473_100009813279 [0,1,0,1,0,0|1,0,0]=3 25296 B13R1.337 CC(=O)OCNCC1CCCCO1 34a_100000174945_100009813279 [0,1,0,1,0,0|2,0,0]=4 25297 B13R1.337 CC(=O)OCNCC1CCCOC1 34a_100000720124_100009813279 [0,1,0,1,0,0|2,0,0]=4 25298 B13R1.337 CC(=O)OCNCC1CCOCC1 34a_100000746373_100009813279 [0,1,0,1,0,0|2,0,0]=4 25299 B13R1.337 CC(=O)OCNCC1CCSCC1 34a_100015188806_100009813279 [0,1,0,1,0,0|2,0,0]=4 25300 B13R1.337 CC(=O)OCOCC1CCCCC1 34a_100000212181_100009813279 [0,1,0,1,0,0|1,0,0]=3 25301 B13R1.337 CC(=O)OCOCC1CCCCN1 34a_100000210821_100009813279 [0,1,0,1,0,0|2,0,0]=4 25302 B13R1.337 CC(=O)OCOCC1CCCCO1 34a_100000211370_100009813279 [0,1,0,1,0,0|2,0,0]=4 25303 B13R1.337 CC(=O)OCOCC1CCCNC1 34a_100000211344_100009813279 [0,1,0,1,0,0|2,0,0]=4 25304 B13R1.337 CC(=O)OCOCC1CCCOC1 34a_100000741520_100009813279 [0,1,0,1,0,0|2,0,0]=4 25305 B13R1.337 CC(=O)OCOCC1CCNCC1 34a_100000738675_100009813279 [0,1,0,1,0,0|2,0,0]=4 25306 B13R1.337 CC(=O)OCOCC1CCOCC1 34a_100000749013_100009813279 [0,1,0,1,0,0|2,0,0]=4 25307 B13R1.337 CC(=O)OCOCC1CCSCC1 34a_100000070558_100009813279 [0,1,0,1,0,0|2,0,0]=4 25308 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000076356_100000211423 [0,1,0,1,0,0|1,0,0]=3 25309 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000211423_100000076356 [0,1,0,1,0,0|1,0,0]=3 25310 B13R1.337 CC(=O)OCSCC1CCCCO1 62a_100000076356_100000211543 [0,1,0,1,0,0|2,0,0]=4 25311 B13R1.337 CC(=O)OCSCC1CCCCO1 62a_100000211543_100000076356 [0,1,0,1,0,0|2,0,0]=4 25312 B13R1.337 CC(=O)OCSCC1CCCOC1 62a_100000076356_100000741521 [0,1,0,1,0,0|2,0,0]=4 25313 B13R1.337 CC(=O)OCSCC1CCCOC1 62a_100000741521_100000076356 [0,1,0,1,0,0|2,0,0]=4 25314 B13R1.337 CC(=O)OCSCC1CCOCC1 62a_100000076356_100000749018 [0,1,0,1,0,0|2,0,0]=4 25315 B13R1.337 CC(=O)OCSCC1CCOCC1 62a_100000754603_100000076356 [0,1,0,1,0,0|2,0,0]=4 25316 B13R1.337 CC(=O)SCCCN1CCCOC1 2230a_100000131196_100000038929 [0,1,0,1,0,0|2,0,0]=4 25317 B13R1.337 CC(=O)SCCCN1CCCOC1 269982a_100000131196_100000038929 [0,1,0,1,0,0|2,0,0]=4 25318 B13R1.337 CC(=O)SCCCN1CCCOC1 34a_100000131196_100000038929 [0,1,0,1,0,0|2,0,0]=4 25319 B13R1.337 CC(=O)SCCCN1CCOCC1 2230a_100015191051_100000038929 [0,1,0,1,0,0|2,0,0]=4 25320 B13R1.337 CC(=O)SCCCN1CCOCC1 269982a_100015191051_100000038929 [0,1,0,1,0,0|2,0,0]=4 25321 B13R1.337 CC(=O)SCCCN1CCOCC1 34a_100015191051_100000038929 [0,1,0,1,0,0|2,0,0]=4 25322 B13R1.337 CC(=O)SCCCN1CCSCC1 2230a_100000737611_100000038929 [0,1,0,1,0,0|2,0,0]=4 25323 B13R1.337 CC(=O)SCCCN1CCSCC1 269982a_100000737611_100000038929 [0,1,0,1,0,0|2,0,0]=4 25324 B13R1.337 CC(Br)CCOCC1CCCCC1 34a_100009893172_100000211423 [0,1,0,1,0,0|1,0,1]=4 25325 B13R1.337 CC(Br)COCCC1CCCCC1 34a_100012180447_100011209188 [0,1,0,1,0,0|1,0,1]=4 25326 B13R1.337 CC(C)CCCNC1CCCCC1 2230a_100000182618_100011214892 [0,1,0,1,0,0|1,0,1]=4 25327 B13R1.337 CC(C)CCCNC1CCCCC1 270004a_200000737386_100000210434 [0,1,0,1,0,0|1,0,1]=4 25328 B13R1.337 CC(C)CCCNC1CCCCC1 34a_100000182618_100011214892 [0,1,0,1,0,0|1,0,1]=4 25329 B13R1.337 CC(C)CCCNC1CCCCC1 34a_200000737386_100000210327 [0,1,0,1,0,0|1,0,1]=4 25330 B13R1.337 CC(C)CCCOC1CCCCC1 34a_100000210231_100011214892 [0,1,0,1,0,0|1,0,1]=4 25331 B13R1.337 CC(C)CCCOC1CCCCC1 34a_100000210774_100000210327 [0,1,0,1,0,0|1,0,1]=4 25332 B13R1.337 CC(C)CCCOC1CCCCC1 7a_100000210231_100011214892 [0,1,0,1,0,0|1,0,1]=4 25333 B13R1.337 CC(C)CCCOC1CCCCC1 7a_100000210774_100000210327 [0,1,0,1,0,0|1,0,1]=4 25334 B13R1.337 CC(C)CCCSC1CCCCC1 62a_100000210327_100011214892 [0,1,0,1,0,0|1,0,1]=4 25335 B13R1.337 CC(C)CCCSC1CCCCC1 62a_100011214892_100000210327 [0,1,0,1,0,0|1,0,1]=4 25336 B13R1.337 CC(C)CCNCC1CCCCC1 2230a_100000210473_100000210312 [0,1,0,1,0,0|1,0,1]=4 25337 B13R1.337 CC(C)CCNCC1CCCCC1 269862a_100000210473_100000185833 [0,1,0,1,0,0|1,0,1]=4 25338 B13R1.337 CC(C)CCNCC1CCCCC1 269862a_100000210545_100000211278 [0,1,0,1,0,0|1,0,1]=4 25339 B13R1.337 CC(C)CCNCC1CCCCC1 34a_100000210473_100000210312 [0,1,0,1,0,0|1,0,1]=4 25340 B13R1.337 CC(C)CCOCC1CCCCC1 34a_100000210254_100000211423 [0,1,0,1,0,0|1,0,1]=4 25341 B13R1.337 CC(C)CCOCC1CCCCC1 34a_100000212181_100000210312 [0,1,0,1,0,0|1,0,1]=4 25342 B13R1.337 CC(C)CCOCC1CCCCC1 7a_100000210254_100000211423 [0,1,0,1,0,0|1,0,1]=4 25343 B13R1.337 CC(C)CCOCC1CCCCC1 7a_100000212181_100000210626 [0,1,0,1,0,0|1,0,1]=4 25344 B13R1.337 CC(C)CCSCC1CCCCC1 62a_100000210312_100000211423 [0,1,0,1,0,0|1,0,1]=4 25345 B13R1.337 CC(C)CCSCC1CCCCC1 62a_100000211423_100000210312 [0,1,0,1,0,0|1,0,1]=4 25346 B13R1.337 CC(C)CNCCC1CCCCC1 2230a_100000210953_100012355289 [0,1,0,1,0,0|1,0,1]=4 25347 B13R1.337 CC(C)CNCCC1CCCCC1 2230a_100000738074_100000210760 [0,1,0,1,0,0|1,0,1]=4 25348 B13R1.337 CC(C)CNCCC1CCCCC1 270004a_100000210953_100011713444 [0,1,0,1,0,0|1,0,1]=4 25349 B13R1.337 CC(C)CNCCC1CCCCC1 270004a_100000738074_100000210432 [0,1,0,1,0,0|1,0,1]=4 25350 B13R1.337 CC(C)CNCCC1CCCCC1 34a_100000210953_100011209188 [0,1,0,1,0,0|1,0,1]=4 25351 B13R1.337 CC(C)CNCCC1CCCCC1 34a_100000738074_100000210624 [0,1,0,1,0,0|1,0,1]=4 25352 B13R1.337 CC(C)COCCC1CCCCC1 34a_100000210257_100011209188 [0,1,0,1,0,0|1,0,1]=4 25353 B13R1.337 CC(C)COCCC1CCCCC1 34a_100011217863_100000210624 [0,1,0,1,0,0|1,0,1]=4 25354 B13R1.337 CC(C)COCCC1CCCCC1 7a_100011217863_100000210760 [0,1,0,1,0,0|1,0,1]=4 25355 B13R1.337 CC(C)CSCCC1CCCCC1 62a_100000210624_100012355289 [0,1,0,1,0,0|1,0,1]=4 25356 B13R1.337 CC(C)CSCCC1CCCCC1 62a_100012355289_100000210760 [0,1,0,1,0,0|1,0,1]=4 25357 B13R1.337 CC(C)NCCCC1CCCCC1 2230a_100011211642_100000210206 [0,1,0,1,0,0|1,0,1]=4 25358 B13R1.337 CC(C)NCCCC1CCCCC1 2230a_100138425928_100011713725 [0,1,0,1,0,0|1,0,1]=4 25359 B13R1.337 CC(C)NCCCC1CCCCC1 34a_100011211642_100000210206 [0,1,0,1,0,0|1,0,1]=4 25360 B13R1.337 CC(C)NCCCC1CCCCC1 34a_100138425928_100011713725 [0,1,0,1,0,0|1,0,1]=4 25361 B13R1.337 CC(C)OCCCC1CCCCC1 34a_100000198086_100000210206 [0,1,0,1,0,0|1,0,1]=4 25362 B13R1.337 CC(C)OCCCC1CCCCC1 34a_100000212225_100011713725 [0,1,0,1,0,0|1,0,1]=4 25363 B13R1.337 CC(C)OCCCC1CCCCC1 7a_100000198086_100000210206 [0,1,0,1,0,0|1,0,1]=4 25364 B13R1.337 CC(C)SCCCC1CCCCC1 62a_100000210206_100011713725 [0,1,0,1,0,0|1,0,1]=4 25365 B13R1.337 CC(C)SCCCC1CCCCC1 62a_100011713725_100000210206 [0,1,0,1,0,0|1,0,1]=4 25366 B13R1.337 CC(F)COCCC1CCCCC1 34a_100015925927_100011209188 [0,1,0,1,0,0|1,0,1]=4 25367 B13R1.337 CC(O)CCCNC1CCCCC1 2230a_100000182618_200000718107 [0,1,0,1,0,0|0,0,2]=4 25368 B13R1.337 CC(O)CCCNC1CCCCC1 34a_100000182618_200000718107 [0,1,0,1,0,0|0,0,2]=4 25369 B13R1.337 CC(O)CCCOC1CCCCC1 34a_100000210231_200000718107 [0,1,0,1,0,0|0,0,2]=4 25370 B13R1.337 CC(O)CCCOC1CCCCC1 7a_100000210231_200000718107 [0,1,0,1,0,0|0,0,2]=4 25371 B13R1.337 CC(O)CCCSC1CCCCC1 62a_100000210327_200000718107 [0,1,0,1,0,0|0,0,2]=4 25372 B13R1.337 CC(O)CCCSC1CCCCC1 62a_200000718107_100000210327 [0,1,0,1,0,0|0,0,2]=4 25373 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_100000210473_100012276601 [0,1,0,1,0,0|0,0,2]=4 25374 B13R1.337 CC(O)CCNCC1CCCCC1 2230a_200000755665_100000211423 [0,1,0,1,0,0|0,0,2]=4 25375 B13R1.337 CC(O)CCNCC1CCCCC1 269862a_200000755665_100000211278 [0,1,0,1,0,0|0,0,2]=4 25376 B13R1.337 CC(O)CCNCC1CCCCC1 34a_100000210473_100012276601 [0,1,0,1,0,0|0,0,2]=4 25377 B13R1.337 CC(O)CCOCC1CCCCC1 34a_100000212181_100012276601 [0,1,0,1,0,0|0,0,2]=4 25378 B13R1.337 CC(O)CCOCC1CCCCC1 7a_100000212181_100012276601 [0,1,0,1,0,0|0,0,2]=4 25379 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100000211423_100012276601 [0,1,0,1,0,0|0,0,2]=4 25380 B13R1.337 CC(O)CCSCC1CCCCC1 62a_100012276601_100000211423 [0,1,0,1,0,0|0,0,2]=4 25381 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000210904_100012355289 [0,1,0,1,0,0|0,0,2]=4 25382 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000738074_100011218427 [0,1,0,1,0,0|0,0,2]=4 25383 B13R1.337 CC(O)CNCCC1CCCCC1 270004a_100000210904_100011713444 [0,1,0,1,0,0|0,0,2]=4 25384 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000210904_100011209188 [0,1,0,1,0,0|0,0,2]=4 25385 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000738074_100011218427 [0,1,0,1,0,0|0,0,2]=4 25386 B13R1.337 CC(O)COCCC1CCCCC1 34a_100011217863_100011218427 [0,1,0,1,0,0|0,0,2]=4 25387 B13R1.337 CC(O)COCCC1CCCCC1 7a_100011217863_100011218427 [0,1,0,1,0,0|0,0,2]=4 25388 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100011218427_100012355289 [0,1,0,1,0,0|0,0,2]=4 25389 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100012355289_100011218427 [0,1,0,1,0,0|0,0,2]=4 25390 B13R1.337 CN(C)CCCNC1CCCCC1 270004a_102531767803_100000210434 [0,1,0,1,0,0|2,0,0]=4 25391 B13R1.337 CN(C)CCCOC1CCCCC1 7a_100000210231_100000757444 [0,1,0,1,0,0|2,0,0]=4 25392 B13R1.337 CN(C)CCCSC1CCCCC1 62a_100000210327_100000757444 [0,1,0,1,0,0|2,0,0]=4 25393 B13R1.337 CN(C)CCNCC1CCCCC1 269862a_100000210585_100000211278 [0,1,0,1,0,0|2,0,0]=4 25394 B13R1.337 CN(C)CCOCC1CCCCC1 7a_100000212181_100000755713 [0,1,0,1,0,0|2,0,0]=4 25395 B13R1.337 CN(C)CCSCC1CCCCC1 62a_100000211423_100000755713 [0,1,0,1,0,0|2,0,0]=4 25396 B13R1.337 CS(=O)CCCNC1CCCCC1 270004a_200000753449_100000210434 [0,1,0,1,0,0|1,0,0]=3 25397 B13R1.337 CS(=O)CCCNC1CCCOC1 270004a_200000753449_100000753404 [0,1,0,1,0,0|2,0,0]=4 25398 B13R1.337 CS(=O)CCCNC1CCCSC1 270004a_200000753449_100000057913 [0,1,0,1,0,0|2,0,0]=4 25399 B13R1.337 CS(=O)CCCNC1CCNCC1 270004a_200000753449_100015192401 [0,1,0,1,0,0|2,0,0]=4 25400 B13R1.337 CS(=O)CCCNC1CCOCC1 270004a_200000753449_100011217826 [0,1,0,1,0,0|2,0,0]=4 25401 B13R1.337 CS(=O)CCCNC1CCSCC1 270004a_200000753449_100000203788 [0,1,0,1,0,0|2,0,0]=4 25402 B13R1.337 C[C@@H](Cl)COCCC1CCCCC1 34a_100016084084_100011209188 [0,1,0,1,0,0|1,0,1]=4 25403 B13R1.337 C[C@@H](N)CCOCC1CCCCC1 34a_100000706166_100000211423 [0,1,0,1,0,0|1,0,1]=4 25404 B13R1.337 C[C@@H](N)COCCC1CCCCC1 34a_100000737577_100011209188 [0,1,0,1,0,0|1,0,1]=4 25405 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 2230a_100000738074_100009817552 [0,1,0,1,0,0|0,0,2]=4 25406 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 34a_100000738074_100009817552 [0,1,0,1,0,0|0,0,2]=4 25407 B13R1.337 C[C@@H](O)COCCC1CCCCC1 34a_100011217863_100009817552 [0,1,0,1,0,0|0,0,2]=4 25408 B13R1.337 C[C@@H](O)COCCC1CCCCC1 7a_100011217863_100009817552 [0,1,0,1,0,0|0,0,2]=4 25409 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100009817552_100012355289 [0,1,0,1,0,0|0,0,2]=4 25410 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100012355289_100009817552 [0,1,0,1,0,0|0,0,2]=4 25411 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [0,1,0,1,0,0|1,0,0]=3 25412 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [0,1,0,1,0,0|1,0,0]=3 25413 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000719290_100102525003 [0,1,0,1,0,0|2,0,0]=4 25414 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000739312_100000693364 [0,1,0,1,0,0|2,0,0]=4 25415 B13R1.337 NC(=O)CCCNC1CCOCC1 34a_100000741149_100102525003 [0,1,0,1,0,0|2,0,0]=4 25416 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000739312_100000069128 [0,1,0,1,0,0|2,0,0]=4 25417 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000748639_100102525003 [0,1,0,1,0,0|2,0,0]=4 25418 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [0,1,0,1,0,0|1,0,0]=3 25419 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [0,1,0,1,0,0|1,0,0]=3 25420 B13R1.337 NC(=O)CCCOC1CCCCO1 34a_100000033831_100102525003 [0,1,0,1,0,0|2,0,0]=4 25421 B13R1.337 NC(=O)CCCOC1CCCOC1 34a_100000754041_100102525003 [0,1,0,1,0,0|2,0,0]=4 25422 B13R1.337 NC(=O)CCCOC1CCCSC1 7a_100015962668_100102525003 [0,1,0,1,0,0|2,0,0]=4 25423 B13R1.337 NC(=O)CCCOC1CCOCC1 34a_100000744328_100102525003 [0,1,0,1,0,0|2,0,0]=4 25424 B13R1.337 NC(=O)CCCOC1CCSCC1 34a_100000731022_100102525003 [0,1,0,1,0,0|2,0,0]=4 25425 B13R1.337 NC(=O)CCCOC1CCSCC1 7a_100000731022_100102525003 [0,1,0,1,0,0|2,0,0]=4 25426 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [0,1,0,1,0,0|1,0,0]=3 25427 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [0,1,0,1,0,0|1,0,0]=3 25428 B13R1.337 NC(=O)CCCSC1CCCOC1 62a_100102525003_100000693364 [0,1,0,1,0,0|2,0,0]=4 25429 B13R1.337 NC(=O)CCCSC1CCOCC1 62a_100102525003_100011324220 [0,1,0,1,0,0|2,0,0]=4 25430 B13R1.337 NC(=O)CCCSC1CCSCC1 62a_100102525003_100000069128 [0,1,0,1,0,0|2,0,0]=4 25431 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [0,1,0,1,0,0|1,0,0]=3 25432 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [0,1,0,1,0,0|1,0,0]=3 25433 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [0,1,0,1,0,0|1,0,0]=3 25434 B13R1.337 NC(=O)CCNCC1CCCCO1 2230a_100000174945_100000744528 [0,1,0,1,0,0|2,0,0]=4 25435 B13R1.337 NC(=O)CCNCC1CCCCO1 34a_100000174945_100000731001 [0,1,0,1,0,0|2,0,0]=4 25436 B13R1.337 NC(=O)CCNCC1CCCOC1 2230a_100000720124_100000744528 [0,1,0,1,0,0|2,0,0]=4 25437 B13R1.337 NC(=O)CCNCC1CCCOC1 34a_100000720124_100000731001 [0,1,0,1,0,0|2,0,0]=4 25438 B13R1.337 NC(=O)CCNCC1CCOCC1 2230a_100000746373_100000744528 [0,1,0,1,0,0|2,0,0]=4 25439 B13R1.337 NC(=O)CCNCC1CCOCC1 269862a_100000740010_100000749017 [0,1,0,1,0,0|2,0,0]=4 25440 B13R1.337 NC(=O)CCNCC1CCOCC1 34a_100000746373_100000731001 [0,1,0,1,0,0|2,0,0]=4 25441 B13R1.337 NC(=O)CCNCC1CCSCC1 2230a_100015188806_100000744528 [0,1,0,1,0,0|2,0,0]=4 25442 B13R1.337 NC(=O)CCNCC1CCSCC1 269862a_100000740010_100000067145 [0,1,0,1,0,0|2,0,0]=4 25443 B13R1.337 NC(=O)CCNCC1CCSCC1 34a_100015188806_100000731001 [0,1,0,1,0,0|2,0,0]=4 25444 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [0,1,0,1,0,0|1,0,0]=3 25445 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [0,1,0,1,0,0|1,0,0]=3 25446 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [0,1,0,1,0,0|1,0,0]=3 25447 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [0,1,0,1,0,0|1,0,0]=3 25448 B13R1.337 NC(=O)CCOCC1CCCCN1 34a_100000210821_100000731001 [0,1,0,1,0,0|2,0,0]=4 25449 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000211370_100000731001 [0,1,0,1,0,0|2,0,0]=4 25450 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000757172_100000211543 [0,1,0,1,0,0|2,0,0]=4 25451 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000211370_100000744528 [0,1,0,1,0,0|2,0,0]=4 25452 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000757172_100000211543 [0,1,0,1,0,0|2,0,0]=4 25453 B13R1.337 NC(=O)CCOCC1CCCNC1 34a_100000211344_100000731001 [0,1,0,1,0,0|2,0,0]=4 25454 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000741520_100000731001 [0,1,0,1,0,0|2,0,0]=4 25455 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000757172_100000741521 [0,1,0,1,0,0|2,0,0]=4 25456 B13R1.337 NC(=O)CCOCC1CCCOC1 7a_100000757172_100000741521 [0,1,0,1,0,0|2,0,0]=4 25457 B13R1.337 NC(=O)CCOCC1CCNCC1 34a_100000738675_100000731001 [0,1,0,1,0,0|2,0,0]=4 25458 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000749013_100000731001 [0,1,0,1,0,0|2,0,0]=4 25459 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000757172_100000754603 [0,1,0,1,0,0|2,0,0]=4 25460 B13R1.337 NC(=O)CCOCC1CCOCC1 7a_100000757172_100000754603 [0,1,0,1,0,0|2,0,0]=4 25461 B13R1.337 NC(=O)CCOCC1CCSCC1 34a_100000070558_100000731001 [0,1,0,1,0,0|2,0,0]=4 25462 B13R1.337 NC(=O)CCOCC1CCSCC1 7a_100000070558_100000744528 [0,1,0,1,0,0|2,0,0]=4 25463 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [0,1,0,1,0,0|1,0,0]=3 25464 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [0,1,0,1,0,0|1,0,0]=3 25465 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000211543_100000744528 [0,1,0,1,0,0|2,0,0]=4 25466 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000744528_100000211543 [0,1,0,1,0,0|2,0,0]=4 25467 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000741521_100000744528 [0,1,0,1,0,0|2,0,0]=4 25468 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000744528_100000741521 [0,1,0,1,0,0|2,0,0]=4 25469 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000744528_100000749018 [0,1,0,1,0,0|2,0,0]=4 25470 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000754603_100000744528 [0,1,0,1,0,0|2,0,0]=4 25471 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [0,1,0,1,0,0|1,0,0]=3 25472 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [0,1,0,1,0,0|1,0,0]=3 25473 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [0,1,0,1,0,0|1,0,0]=3 25474 B13R1.337 NC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747473 [0,1,0,1,0,0|2,0,0]=4 25475 B13R1.337 NC(=O)CNCCC1CCCCO1 34a_100015183643_100000187820 [0,1,0,1,0,0|2,0,0]=4 25476 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000711301_100011934994 [0,1,0,1,0,0|2,0,0]=4 25477 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000755988_100000747473 [0,1,0,1,0,0|2,0,0]=4 25478 B13R1.337 NC(=O)CNCCC1CCOCC1 34a_100000755988_100000187820 [0,1,0,1,0,0|2,0,0]=4 25479 B13R1.337 NC(=O)CNCCN1CCCCC1 2230a_100000711301_100000739454 [0,1,0,1,0,0|2,0,0]=4 25480 B13R1.337 NC(=O)CNCOC1CCCCC1 2230a_100000711301_100011935260 [0,1,0,1,0,0|2,0,0]=4 25481 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [0,1,0,1,0,0|1,0,0]=3 25482 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [0,1,0,1,0,0|1,0,0]=3 25483 B13R1.337 NC(=O)COCCC1CCCCN1 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 25484 B13R1.337 NC(=O)COCCC1CCCNC1 34a_100000752241_100000187820 [0,1,0,1,0,0|2,0,0]=4 25485 B13R1.337 NC(=O)COCCC1CCNCC1 34a_100015190746_100000187820 [0,1,0,1,0,0|2,0,0]=4 25486 B13R1.337 NC(=O)COCCC1CCOCC1 34a_100011933979_100000187820 [0,1,0,1,0,0|2,0,0]=4 25487 B13R1.337 NC(=O)COCCC1CCOCC1 7a_100011933979_100000187820 [0,1,0,1,0,0|2,0,0]=4 25488 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [0,1,0,1,0,0|1,0,0]=3 25489 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [0,1,0,1,0,0|1,0,0]=3 25490 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100000747473_100011934994 [0,1,0,1,0,0|2,0,0]=4 25491 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100011934994_100000747473 [0,1,0,1,0,0|2,0,0]=4 25492 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000739454_100000747473 [0,1,0,1,0,0|2,0,0]=4 25493 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000747473_100000739454 [0,1,0,1,0,0|2,0,0]=4 25494 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100000747473_100011935260 [0,1,0,1,0,0|2,0,0]=4 25495 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100011935260_100000747473 [0,1,0,1,0,0|2,0,0]=4 25496 B13R1.337 NC(=O)NCCNC1CCCCC1 2230a_100000182618_200000034859 [0,1,0,1,0,0|2,0,0]=4 25497 B13R1.337 NC(=O)NCCNC1CCCCC1 34a_100020590234_100000210327 [0,1,0,1,0,0|2,0,0]=4 25498 B13R1.337 NC(=O)NCCOC1CCCCC1 34a_100000181757_100000210327 [0,1,0,1,0,0|2,0,0]=4 25499 B13R1.337 NC(=O)NCCOC1CCCCC1 7a_100000210231_200000034859 [0,1,0,1,0,0|2,0,0]=4 25500 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_100000210327_200000034859 [0,1,0,1,0,0|2,0,0]=4 25501 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_200000034859_100000210327 [0,1,0,1,0,0|2,0,0]=4 25502 B13R1.337 NC(=O)OCCNC1CCCCC1 34a_100000182618_200011214921 [0,1,0,1,0,0|2,0,0]=4 25503 B13R1.337 NC(=O)OCCOC1CCCCC1 34a_100000210231_200011214921 [0,1,0,1,0,0|2,0,0]=4 25504 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000210231_200011214921 [0,1,0,1,0,0|2,0,0]=4 25505 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000766696_100000210327 [0,1,0,1,0,0|2,0,0]=4 25506 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_100000210327_200011214921 [0,1,0,1,0,0|2,0,0]=4 25507 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_200011214921_100000210327 [0,1,0,1,0,0|2,0,0]=4 25508 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,1,0,1,0,0|1,0,0]=3 25509 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [0,1,0,1,0,0|2,0,0]=4 25510 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,1,0,1,0,0|2,0,0]=4 25511 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,1,0,1,0,0|2,0,0]=4 25512 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,1,0,1,0,0|2,0,0]=4 25513 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [0,1,0,1,0,0|1,0,0]=3 25514 B13R1.337 O=C([O-])CNCCC1CCCCO1 34a_100015183643_100020667443 [0,1,0,1,0,0|2,0,0]=4 25515 B13R1.337 O=C([O-])CNCCC1CCOCC1 34a_100000755988_100020667443 [0,1,0,1,0,0|2,0,0]=4 25516 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [0,1,0,1,0,0|1,0,0]=3 25517 B13R1.337 O=C([O-])COCCC1CCCCN1 34a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 25518 B13R1.337 O=C([O-])COCCC1CCCNC1 34a_100000752241_100020667443 [0,1,0,1,0,0|2,0,0]=4 25519 B13R1.337 O=C([O-])COCCC1CCNCC1 34a_100015190746_100020667443 [0,1,0,1,0,0|2,0,0]=4 25520 B13R1.337 O=C([O-])COCCC1CCOCC1 34a_100011933979_100020667443 [0,1,0,1,0,0|2,0,0]=4 25521 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [0,1,0,1,0,0|1,0,0]=3 25522 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [0,1,0,1,0,0|1,0,0]=3 25523 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100011934994_100020667443 [0,1,0,1,0,0|2,0,0]=4 25524 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100020667443_100011934994 [0,1,0,1,0,0|2,0,0]=4 25525 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100000739454_100020667443 [0,1,0,1,0,0|2,0,0]=4 25526 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100020667443_100000739454 [0,1,0,1,0,0|2,0,0]=4 25527 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100011935260_100020667443 [0,1,0,1,0,0|2,0,0]=4 25528 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100020667443_100011935260 [0,1,0,1,0,0|2,0,0]=4 25529 B13R1.337 O=[N+]([O-])CCCOC1CCCCC1 34a_200000037920_100000210327 [0,1,0,1,0,0|2,0,0]=4 25530 B13R1.337 O=[N+]([O-])CNCCC1CCCCC1 34a_100000738074_100000761209 [0,1,0,1,0,0|2,0,0]=4 25531 B13R1.337 O=[N+]([O-])COCCC1CCCCC1 34a_100011217863_100000761209 [0,1,0,1,0,0|2,0,0]=4 25532 B13R1.337 O=[N+]([O-])CSCCC1CCCCC1 62a_100012355289_100000761209 [0,1,0,1,0,0|2,0,0]=4 25533 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,1,0,1,0,0|0,0,0]=2 25534 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [0,1,0,1,0,0|0,0,0]=2 25535 B13R1.491 CCCOC1CN(C1)CCC(=O)C 269982a_200020626125_100000053229 [0,1,0,1,0,0|2,0,0]=4 25536 B13R1.568 CC(=O)N1CCCC(C1)CCCO 240690a_100150707839_100015343762 [0,1,0,1,0,0|2,0,0]=4 25537 B13R1.568 CC(=O)N1CCCC(C1)CCCO 527a_100150707839_100103153847 [0,1,0,1,0,0|2,0,0]=4 25538 B13R1.568 CCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210211 [0,1,0,1,0,0|2,0,0]=4 25539 B13R1.568 CCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210211 [0,1,0,1,0,0|2,0,0]=4 25540 B13R1.568 CCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210210 [0,1,0,1,0,0|2,0,0]=4 25541 B13R1.568 CCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210303 [0,1,0,1,0,0|2,0,0]=4 25542 B13R1.568 CCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210303 [0,1,0,1,0,0|2,0,0]=4 25543 B13R1.568 CCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210207 [0,1,0,1,0,0|2,0,0]=4 25544 B13R1.568 CCCOC1CCCN(C1)C(=O)C 11a_100000743837_100015343762 [0,1,0,1,0,0|2,0,0]=4 25545 B13R1.568 CCCOC1CCCN(C1)C(=O)C 1626a_100000743837_100015343762 [0,1,0,1,0,0|2,0,0]=4 25546 B13R1.568 CCCOC1CCCN(C1)C(=O)C 240690a_100000743837_100015343762 [0,1,0,1,0,0|2,0,0]=4 25547 B13R1.568 CCCOC1CCCN(C1)C(=O)C 527a_100000743837_100103153847 [0,1,0,1,0,0|2,0,0]=4 25548 B13R1.568 CCCOC1CCCN(C1)C(=O)C 7a_200011196156_100000210303 [0,1,0,1,0,0|2,0,0]=4 25549 B13R1.568 CCNCC1CCCN(C1)C(=O)C 2230a_100000724452_100000210202 [0,1,0,1,0,0|2,0,0]=4 25550 B13R1.568 CCOCC1CCCN(C1)C(=O)C 34a_200000689997_100000210202 [0,1,0,1,0,0|2,0,0]=4 25551 B13R1.568 CCOCC1CCCN(C1)C(=O)C 7a_200000689997_100000210202 [0,1,0,1,0,0|2,0,0]=4 25552 B13R1.568 COCCC1CCCN(C1)C(=O)C 11a_100011653411_100015343762 [0,1,0,1,0,0|2,0,0]=4 25553 B13R1.568 COCCC1CCCN(C1)C(=O)C 1626a_100011653411_100015343762 [0,1,0,1,0,0|2,0,0]=4 25554 B13R1.568 COCCC1CCCN(C1)C(=O)C 240690a_100011653411_100015343762 [0,1,0,1,0,0|2,0,0]=4 25555 B13R1.568 COCCC1CCCN(C1)C(=O)C 527a_100011653411_100103153847 [0,1,0,1,0,0|2,0,0]=4 25556 B13R1.637 CC(=O)CCCCN1CC(C1)CF 269982a_100010363649_100000735457 [0,1,0,1,0,0|2,0,0]=4 25557 B13R1.637 CC(=O)CCCCN1CC(C1)CF 34a_100010363649_100009817362 [0,1,0,1,0,0|2,0,0]=4 25558 B13R1.637 CC(=O)CCCCN1CC(C1)CO 269982a_100016987283_100000735457 [0,1,0,1,0,0|2,0,0]=4 25559 B13R1.637 CC(=O)CCCCN1CC(C1)CO 34a_100016987283_100009817362 [0,1,0,1,0,0|2,0,0]=4 25560 B13R1.637 CC(=O)CCCSC1CC(C1)CO 62a_100009874164_100011215641 [0,1,0,1,0,0|2,0,0]=4 25561 B13R1.637 CC(=O)CCCSC1CC(C1)CO 62a_100011215641_100009874164 [0,1,0,1,0,0|2,0,0]=4 25562 B13R1.637 CCC1CN(C1)CCCCC(=O)C 269982a_100015205115_100000735457 [0,1,0,1,0,0|1,0,0]=3 25563 B13R1.637 CCC1CN(C1)CCCOC(=O)C 269982a_100015205115_100000042594 [0,1,0,1,0,0|2,0,0]=4 25564 B13R1.637 CCC1CN(C1)CCCSC(=O)C 2230a_100015205115_100000038929 [0,1,0,1,0,0|2,0,0]=4 25565 B13R1.637 CCC1CN(C1)CCCSC(=O)C 269982a_100015205115_100000038929 [0,1,0,1,0,0|2,0,0]=4 25566 B13R1.637 COC1CN(C1)CCCCC(=O)C 269982a_100000755009_100000735457 [0,1,0,1,0,0|2,0,0]=4 25567 B13R1.637 CSC1CN(C1)CCCCC(=O)C 269982a_100016990038_100000735457 [0,1,0,1,0,0|2,0,0]=4 25568 B13R1.678 C=C1CC(C1)CNC(C)CCCC 2230a_100102567296_200011215066 [0,1,0,1,0,0|2,0,0]=4 25569 B13R1.678 C=C1CC(C1)CNC(C)CCCC 270004a_100102567296_100000210087 [0,1,0,1,0,0|2,0,0]=4 25570 B13R1.678 C=C1CC(C1)CNC(C)CCCC 34a_100102567296_200011215066 [0,1,0,1,0,0|2,0,0]=4 25571 B13R1.678 C=C1CC(C1)COC(C)CCCC 34a_100011011225_200011215066 [0,1,0,1,0,0|2,0,0]=4 25572 B13R1.678 CC(CCCCl)OCC1CC(=O)C1 7a_200000718107_100009874392 [0,1,0,1,0,0|2,0,0]=4 25573 B13R1.678 CCCCC(C)NCC1CC(=O)C1 2230a_100000126638_100009874392 [0,1,0,1,0,0|1,0,0]=3 25574 B13R1.678 CCCCC(C)OCC1CC(=O)C1 34a_100000101936_200011215066 [0,1,0,1,0,0|1,0,0]=3 25575 B13R1.678 CCCCC(C)OCC1CC(=O)C1 7a_100000687866_100009874392 [0,1,0,1,0,0|1,0,0]=3 25576 B13R1.678 CCCCC(C)SCC1CC(=O)C1 62a_100009874392_200011215066 [0,1,0,1,0,0|1,0,0]=3 25577 B13R1.678 CCCCC(C)SCC1CC(=O)C1 62a_200011215066_100009874392 [0,1,0,1,0,0|1,0,0]=3 25578 B13R1.678 CCOCC(C)OCC1CC(=O)C1 7a_100000718985_100009874392 [0,1,0,1,0,0|2,0,0]=4 25579 B13R1.809 CC(=O)CCCCC(=O)C1CC1C 1458a_100000211227_100000735457 [0,1,0,1,0,0|0,0,1]=3 25580 B13R1.809 CC(=O)CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000735457 [0,1,0,1,0,0|1,0,1]=4 25581 B13R1.809 CC(=O)OCCCC(=O)C1CC1C 1458a_100000211227_100000042594 [0,1,0,1,0,0|1,0,1]=4 25582 B13R1.809 CC(=O)SCCCC(=O)C1CC1C 1458a_100000211227_100000038929 [0,1,0,1,0,0|1,0,1]=4 25583 B13R1.893 C=C(C)COC1CC(CCC1C)C 34a_100011217446_100000748629 [0,1,0,1,0,0|2,0,0]=4 25584 B13R1.893 C=C(C)COC1CC(CCC1C)C 7a_100011217446_100000748629 [0,1,0,1,0,0|2,0,0]=4 25585 B13R1.893 CC(=O)CCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000053229 [0,1,0,1,0,0|2,0,0]=4 25586 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 34a_100011217446_100000187820 [0,1,0,1,0,0|2,0,0]=4 25587 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 7a_100011217446_100000187820 [0,1,0,1,0,0|2,0,0]=4 25588 B13R1.893 CC1CCC(C(C1)OCC(=O)[O-])C 34a_100011217446_100020667443 [0,1,0,1,0,0|2,0,0]=4 25589 B13R1.1042 CC(=O)CCCCC(=O)C1CCC1 1458a_100000209988_100000735457 [0,1,0,1,0,0|0,0,1]=3 25590 B13R1.1042 CC(=O)CCCCC(=O)C1CCO1 1458a_100000089072_100000735457 [0,1,0,1,0,0|1,0,1]=4 25591 B13R1.1042 CC(=O)CCCCC(=O)C1COC1 1458a_100000758290_100000735457 [0,1,0,1,0,0|1,0,1]=4 25592 B13R1.1042 CC(=O)CCCCN(C)C1CCC1 269982a_100000758072_100000735457 [0,1,0,1,0,0|1,0,0]=3 25593 B13R1.1042 CC(=O)CCCCN(C)C1CCC1 34a_100000758072_100009817362 [0,1,0,1,0,0|1,0,0]=3 25594 B13R1.1042 CC(=O)CCCCN(C)C1COC1 269982a_100102693430_100000735457 [0,1,0,1,0,0|2,0,0]=4 25595 B13R1.1042 CC(=O)CCCNC(C)C1CCC1 34a_100016994624_100000685027 [0,1,0,1,0,0|1,0,0]=3 25596 B13R1.1042 CC(=O)CCCOC(C)C1CCC1 34a_100000766398_100000685027 [0,1,0,1,0,0|1,0,0]=3 25597 B13R1.1042 CC(=O)CCCOC(C)C1CCC1 7a_100000766398_100011215641 [0,1,0,1,0,0|1,0,0]=3 25598 B13R1.1042 CC(=O)CCOCC(=O)C1CCC1 34a_100000759926_100000686122 [0,1,0,1,0,0|1,0,1]=4 25599 B13R1.1042 CC(=O)CCOCC(=O)C1CCC1 7a_100000759926_100000686122 [0,1,0,1,0,0|1,0,1]=4 25600 B13R1.1042 CC(=O)CCSCC(=O)C1CCC1 62a_100000053229_100000686122 [0,1,0,1,0,0|1,0,1]=4 25601 B13R1.1042 CC(=O)CCSCC(=O)C1CCC1 62a_100000686122_100000053229 [0,1,0,1,0,0|1,0,1]=4 25602 B13R1.1042 CC(=O)NCCCC(=O)C1CCC1 1458a_100000194741_100000749161 [0,1,0,1,0,0|1,0,1]=4 25603 B13R1.1042 CC(=O)NCCNC(C)C1CCC1 2230a_100016994624_100000189650 [0,1,0,1,0,0|2,0,0]=4 25604 B13R1.1042 CC(=O)NCCNC(C)C1CCC1 269862a_100000209853_100000760154 [0,1,0,1,0,0|2,0,0]=4 25605 B13R1.1042 CC(=O)NCCOC(C)C1CCC1 7a_100000766398_100000189650 [0,1,0,1,0,0|2,0,0]=4 25606 B13R1.1042 CC(=O)OCCCC(=O)C1CCC1 1458a_100000209988_100000042594 [0,1,0,1,0,0|1,0,1]=4 25607 B13R1.1042 CC(=O)OCCCN(C)C1CCC1 269982a_100000758072_100000042594 [0,1,0,1,0,0|2,0,0]=4 25608 B13R1.1042 CC(=O)OCCCN(C)C1CCC1 34a_100000758072_100000042594 [0,1,0,1,0,0|2,0,0]=4 25609 B13R1.1042 CC(=O)OCCNC(C)C1CCC1 34a_100016994624_100009814007 [0,1,0,1,0,0|2,0,0]=4 25610 B13R1.1042 CC(=O)OCCOC(C)C1CCC1 34a_100000766398_100009814007 [0,1,0,1,0,0|2,0,0]=4 25611 B13R1.1042 CC(=O)OCCOC(C)C1CCC1 7a_100000766398_100009814007 [0,1,0,1,0,0|2,0,0]=4 25612 B13R1.1042 CC(=O)SCCCC(=O)C1CCC1 1458a_100000209988_100000038929 [0,1,0,1,0,0|1,0,1]=4 25613 B13R1.1042 CC(=O)SCCCN(C)C1CCC1 2230a_100000758072_100000038929 [0,1,0,1,0,0|2,0,0]=4 25614 B13R1.1042 CC(=O)SCCCN(C)C1CCC1 269982a_100000758072_100000038929 [0,1,0,1,0,0|2,0,0]=4 25615 B13R1.1042 CC(=O)SCCCN(C)C1CCC1 34a_100000758072_100000038929 [0,1,0,1,0,0|2,0,0]=4 25616 B13R1.1042 CC(=O)SCCNC(C)C1CCC1 269862a_100020647217_100000760154 [0,1,0,1,0,0|2,0,0]=4 25617 B13R1.1042 CC(NCCCC(=O)N)C1CCC1 269862a_100000739312_100000760154 [0,1,0,1,0,0|2,0,0]=4 25618 B13R1.1042 CC(NCCCC(=O)N)C1CCC1 34a_100016994624_100102525003 [0,1,0,1,0,0|2,0,0]=4 25619 B13R1.1042 CC(OCCCC(=O)N)C1CCC1 34a_100000766398_100102525003 [0,1,0,1,0,0|2,0,0]=4 25620 B13R1.1042 CC(OCCCC(=O)N)C1CCC1 7a_100000766398_100102525003 [0,1,0,1,0,0|2,0,0]=4 25621 B13R1.1044 CC(=O)CCCCC(=O)CC1CC1 1458a_100000738066_100000735457 [0,1,0,1,0,0|0,0,1]=3 25622 B13R1.1044 CC(=O)CCCCN(C)CC1CC1 269982a_100000741881_100000735457 [0,1,0,1,0,0|1,0,0]=3 25623 B13R1.1044 CC(=O)NCCCC(=O)CC1CC1 1458a_100000194741_100000742324 [0,1,0,1,0,0|1,0,1]=4 25624 B13R1.1044 CC(=O)OCCCC(=O)CC1CC1 1458a_100000738066_100000042594 [0,1,0,1,0,0|1,0,1]=4 25625 B13R1.1044 CC(=O)OCCCN(C)CC1CC1 269982a_100000741881_100000042594 [0,1,0,1,0,0|2,0,0]=4 25626 B13R1.1044 CC(=O)SCCCC(=O)CC1CC1 1458a_100000738066_100000038929 [0,1,0,1,0,0|1,0,1]=4 25627 B13R1.1044 CC(=O)SCCCN(C)CC1CC1 2230a_100000741881_100000038929 [0,1,0,1,0,0|2,0,0]=4 25628 B13R1.1044 CC(=O)SCCCN(C)CC1CC1 269982a_100000741881_100000038929 [0,1,0,1,0,0|2,0,0]=4 25629 B13R1.1044 CC(CC1CC1)NCCCS(=O)C 270004a_200000753449_200000686933 [0,1,0,1,0,0|2,0,0]=4 25630 B13R1.2068 CC(=O)CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000053229 [0,1,0,1,0,0|2,0,0]=4 25631 B13R1.2068 CC(=O)CCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000053229 [0,1,0,1,0,0|2,0,0]=4 25632 B13R1.2510 CCCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210211 [0,1,0,1,0,0|1,0,1]=4 25633 B13R1.2510 CCCCC(C)N1CCC1C(=O)O 269956a_100000021838_200011215066 [0,1,0,1,0,0|2,0,0]=4 25634 B13R1.3501 C=C(C)CCN1CCCCC(C1)O 2230a_100025706797_100000730704 [0,1,0,1,0,0|2,0,0]=4 25635 B13R1.3501 C=C(C)CCN1CCCCC(C1)O 269982a_100025706797_100000730704 [0,1,0,1,0,0|2,0,0]=4 25636 B13R1.3501 CC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000053229 [0,1,0,1,0,0|1,0,0]=3 25637 B13R1.3501 CC(=O)CCN1CCOC[C@@H](C1)O 269982a_100016073750_100000053229 [0,1,0,1,0,0|2,0,0]=4 25638 B13R1.3501 CC(=O)OCN1CCCCC(C1)O 269982a_100025706797_100000076356 [0,1,0,1,0,0|2,0,0]=4 25639 B13R1.3501 CC(C)CCN1CCCNC(=O)C1 2230a_100015190381_100000210312 [0,1,0,1,0,0|2,0,0]=4 25640 B13R1.3501 CC(O)CCN1CCCNC(=O)C1 2230a_100015190381_100012276601 [0,1,0,1,0,0|2,0,0]=4 25641 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 2230a_100025706797_100000744528 [0,1,0,1,0,0|2,0,0]=4 25642 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000744528 [0,1,0,1,0,0|2,0,0]=4 25643 B13R1.3529 CC(=O)CCCN1C(CCC1C)C 269982a_100000687148_100011215641 [0,1,0,1,0,0|1,0,0]=3 25644 B13R1.3529 CC(=O)CCCN1C(CCC1C)C 34a_100000687148_100000685027 [0,1,0,1,0,0|1,0,0]=3 25645 B13R1.3529 CC(=O)NCCN1C(CCC1C)C 2230a_100000687148_100000189650 [0,1,0,1,0,0|2,0,0]=4 25646 B13R1.3529 CC(=O)NCCN1C(CCC1C)C 269982a_100000687148_100000189650 [0,1,0,1,0,0|2,0,0]=4 25647 B13R1.3529 CC(=O)OCCN1C(CCC1C)C 269982a_100000687148_100009814007 [0,1,0,1,0,0|2,0,0]=4 25648 B13R1.3529 CC(=O)OCCN1C(CCC1C)C 34a_100000687148_100009814007 [0,1,0,1,0,0|2,0,0]=4 25649 B13R1.3529 CC1CCC(N1CCCC(=O)N)C 269982a_100000687148_100102525003 [0,1,0,1,0,0|2,0,0]=4 25650 B13R1.3529 CC1CCC(N1CCCC(=O)N)C 34a_100000687148_100102525003 [0,1,0,1,0,0|2,0,0]=4 25651 B13R1.4012 CCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210207 [0,1,0,1,0,0|2,0,0]=4 25652 B13R1.7746 C=C(C)CCNCC1(CCCC1)O 2230a_100000737848_100000730704 [0,1,0,1,0,0|2,0,0]=4 25653 B13R1.7746 C=C(C)CCOCC1(CCCC1)N 34a_100000749328_100000730704 [0,1,0,1,0,0|2,0,0]=4 25654 B13R1.7746 C=C(C)CNCCC1(CCCC1)O 34a_100000719956_100000748629 [0,1,0,1,0,0|2,0,0]=4 25655 B13R1.7746 CC(=O)CCCOC1(CCCC1)C 34a_100000751722_100000685027 [0,1,0,1,0,0|1,0,0]=3 25656 B13R1.7746 CC(=O)CCCOC1(CCCC1)C 7a_100000751722_100011215641 [0,1,0,1,0,0|1,0,0]=3 25657 B13R1.7746 CC(=O)NCCOC1(CCCC1)C 7a_100000751722_100000189650 [0,1,0,1,0,0|2,0,0]=4 25658 B13R1.7746 CC(=O)OCCOC1(CCCC1)C 34a_100000751722_100009814007 [0,1,0,1,0,0|2,0,0]=4 25659 B13R1.7746 CC(=O)OCCOC1(CCCC1)C 7a_100000751722_100009814007 [0,1,0,1,0,0|2,0,0]=4 25660 B13R1.7746 CC(=O)OCOCC1(CCCC1)N 34a_100000749328_100009813279 [0,1,0,1,0,0|2,0,0]=4 25661 B13R1.7746 CC1(CCCC1)OCCCC(=O)N 34a_100000751722_100102525003 [0,1,0,1,0,0|2,0,0]=4 25662 B13R1.7746 CC1(CCCC1)OCCCC(=O)N 7a_100000751722_100102525003 [0,1,0,1,0,0|2,0,0]=4 25663 B13R1.7746 NC(=O)CCNCC1(CCCC1)O 2230a_100000737848_100000744528 [0,1,0,1,0,0|2,0,0]=4 25664 B13R1.7746 NC(=O)CCOCC1(CCCC1)N 34a_100000749328_100000731001 [0,1,0,1,0,0|2,0,0]=4 25665 B13R1.7746 NC(=O)CNCCC1(CCCC1)O 34a_100000719956_100000187820 [0,1,0,1,0,0|2,0,0]=4 25666 B13R1.7746 O=C([O-])CNCCC1(CCCC1)O 34a_100000719956_100020667443 [0,1,0,1,0,0|2,0,0]=4 25667 B13R1.100 CCC1CCCN1CCS(=O)(=O)C 2230a_100000754278_100000731031 [0,1,0,1,0,0|2,0,0]=4 25668 B13R1.100 CCC1CCCN1CCS(=O)(=O)C 269982a_100000754278_100000731031 [0,1,0,1,0,0|2,0,0]=4 25669 B13R1.100 CCC1CCCN1CCS(=O)(=O)C 34a_100000754278_100000731031 [0,1,0,1,0,0|2,0,0]=4 25670 B13R1.157 CC1CCCCN1CCS(=O)(=O)C 2230a_100000211376_100000731031 [0,1,0,1,0,0|2,0,0]=4 25671 B13R1.157 CC1CCCCN1CCS(=O)(=O)C 269982a_100000211376_100000731031 [0,1,0,1,0,0|2,0,0]=4 25672 B13R1.157 CC1CCCCN1CCS(=O)(=O)C 34a_100000211376_100000731031 [0,1,0,1,0,0|2,0,0]=4 25673 B13R1.195 CC1CCCC1NCCS(=O)(=O)C 269862a_100000740961_100000752053 [0,1,0,1,0,0|2,0,0]=4 25674 B13R1.195 CC1CCCC1OCCS(=O)(=O)C 34a_100011216460_100000731031 [0,1,0,1,0,0|2,0,0]=4 25675 B13R1.195 CC1CCCC1OCCS(=O)(=O)C 7a_100011216460_100000230027 [0,1,0,1,0,0|2,0,0]=4 25676 B13R1.195 C[C@@H]1CCCN1CCCS(=O)(=O)C 2230a_100015189458_100000754308 [0,1,0,1,0,0|2,0,0]=4 25677 B13R1.195 C[C@@H]1CCCN1CCCS(=O)(=O)C 269982a_100015189458_100000754308 [0,1,0,1,0,0|2,0,0]=4 25678 B13R1.195 C[C@@H]1CCCN1CCCS(=O)(=O)C 34a_100015189458_100000754308 [0,1,0,1,0,0|2,0,0]=4 25679 B13R1.195 C[C@H]1CCCN1CCCS(=O)(=O)C 2230a_100020605311_100000754308 [0,1,0,1,0,0|2,0,0]=4 25680 B13R1.195 C[C@H]1CCCN1CCCS(=O)(=O)C 269982a_100020605311_100000754308 [0,1,0,1,0,0|2,0,0]=4 25681 B13R1.286 CC1CC1COCCCS(=O)(=O)C 34a_100000744939_100000754308 [0,1,0,1,0,0|2,0,0]=4 25682 B13R1.286 CC1CC1COCCCS(=O)(=O)C 7a_100000744939_100000754308 [0,1,0,1,0,0|2,0,0]=4 25683 B13R1.381 CCCC1CCCCN1S(=O)(=O)C 40a_100000701414_100000738038 [0,1,0,1,0,0|2,0,0]=4 25684 B13R1.2904 CS(=O)(=O)CCCNC1CCCC1 2230a_100000211070_100000754308 [0,1,0,1,0,0|2,0,0]=4 25685 B13R1.2904 CS(=O)(=O)CCCNC1CCCC1 2230a_100000742409_100000179811 [0,1,0,1,0,0|2,0,0]=4 25686 B13R1.2904 CS(=O)(=O)CCCNC1CCCC1 270004a_100000742409_100000210133 [0,1,0,1,0,0|2,0,0]=4 25687 B13R1.2904 CS(=O)(=O)CCCNC1CCCC1 34a_100000211070_100000754308 [0,1,0,1,0,0|2,0,0]=4 25688 B13R1.2904 CS(=O)(=O)CCCNC1CCCC1 34a_100000742409_100000179811 [0,1,0,1,0,0|2,0,0]=4 25689 B13R1.2904 CS(=O)(=O)CCCOC1CCCC1 34a_100000210269_100000754308 [0,1,0,1,0,0|2,0,0]=4 25690 B13R1.2904 CS(=O)(=O)CCCOC1CCCC1 34a_100000689940_100000179811 [0,1,0,1,0,0|2,0,0]=4 25691 B13R1.2904 CS(=O)(=O)CCCOC1CCCC1 7a_100000210269_100000754308 [0,1,0,1,0,0|2,0,0]=4 25692 B13R1.2904 CS(=O)(=O)CCCOC1CCCC1 7a_100000689940_100000179811 [0,1,0,1,0,0|2,0,0]=4 25693 B13R1.2904 CS(=O)(=O)CCCSC1CCCC1 62a_100000754308_100000179811 [0,1,0,1,0,0|2,0,0]=4 25694 B13R1.2904 CS(=O)(=O)CCCSC1CCCC1 62a_100011217020_100000754308 [0,1,0,1,0,0|2,0,0]=4 25695 B13R1.2904 CS(=O)(=O)CCNCC1CCCC1 2230a_100000737975_100000731031 [0,1,0,1,0,0|2,0,0]=4 25696 B13R1.2904 CS(=O)(=O)CCNCC1CCCC1 2230a_100000740961_100000740388 [0,1,0,1,0,0|2,0,0]=4 25697 B13R1.2904 CS(=O)(=O)CCNCC1CCCC1 269862a_100000740961_100000746403 [0,1,0,1,0,0|2,0,0]=4 25698 B13R1.2904 CS(=O)(=O)CCNCC1CCCC1 34a_100000737975_100000731031 [0,1,0,1,0,0|2,0,0]=4 25699 B13R1.2904 CS(=O)(=O)CCNCC1CCCC1 34a_100000740961_100000740388 [0,1,0,1,0,0|2,0,0]=4 25700 B13R1.2904 CS(=O)(=O)CCOCC1CCCC1 34a_100000211924_100000740388 [0,1,0,1,0,0|2,0,0]=4 25701 B13R1.2904 CS(=O)(=O)CCOCC1CCCC1 34a_100000742336_100000731031 [0,1,0,1,0,0|2,0,0]=4 25702 B13R1.2904 CS(=O)(=O)CCOCC1CCCC1 7a_100000211924_100000740388 [0,1,0,1,0,0|2,0,0]=4 25703 B13R1.2904 CS(=O)(=O)CCOCC1CCCC1 7a_100000742336_100000230027 [0,1,0,1,0,0|2,0,0]=4 25704 B13R1.2904 CS(=O)(=O)CCSCC1CCCC1 62a_100000731031_100000740388 [0,1,0,1,0,0|2,0,0]=4 25705 B13R1.2904 CS(=O)(=O)CCSCC1CCCC1 62a_100000740388_100000230027 [0,1,0,1,0,0|2,0,0]=4 25706 B13R1.2904 CS(=O)(=O)NCCCC1CCCC1 40a_100000736752_100000738038 [0,1,0,1,0,0|2,0,0]=4 25707 B13R1.2905 CS(=O)(=O)CCCNCC1CCC1 2230a_100000738700_100000754308 [0,1,0,1,0,0|2,0,0]=4 25708 B13R1.2905 CS(=O)(=O)CCCNCC1CCC1 2230a_100000742409_100000763275 [0,1,0,1,0,0|2,0,0]=4 25709 B13R1.2905 CS(=O)(=O)CCCNCC1CCC1 269862a_100000742409_100000753134 [0,1,0,1,0,0|2,0,0]=4 25710 B13R1.2905 CS(=O)(=O)CCCNCC1CCC1 34a_100000738700_100000754308 [0,1,0,1,0,0|2,0,0]=4 25711 B13R1.2905 CS(=O)(=O)CCCNCC1CCC1 34a_100000742409_100000763275 [0,1,0,1,0,0|2,0,0]=4 25712 B13R1.2905 CS(=O)(=O)CCCOCC1CCC1 34a_100000689940_100000763275 [0,1,0,1,0,0|2,0,0]=4 25713 B13R1.2905 CS(=O)(=O)CCCOCC1CCC1 34a_100000760304_100000754308 [0,1,0,1,0,0|2,0,0]=4 25714 B13R1.2905 CS(=O)(=O)CCCOCC1CCC1 7a_100000689940_100000763275 [0,1,0,1,0,0|2,0,0]=4 25715 B13R1.2905 CS(=O)(=O)CCCSCC1CCC1 62a_100000754308_100000763275 [0,1,0,1,0,0|2,0,0]=4 25716 B13R1.2905 CS(=O)(=O)CCCSCC1CCC1 62a_100000763275_100000754308 [0,1,0,1,0,0|2,0,0]=4 25717 B13R1.3441 CCCCCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210326 [0,1,0,1,0,0|2,0,0]=4 25718 B13R1.3441 CCCCCNC1CCS(=O)(=O)C1 34a_100000683523_100000718602 [0,1,0,1,0,0|2,0,0]=4 25719 B13R1.3441 CCCCCOC1CCS(=O)(=O)C1 34a_100000186101_100000718602 [0,1,0,1,0,0|2,0,0]=4 25720 B13R1.3441 CCCCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210326 [0,1,0,1,0,0|2,0,0]=4 25721 B13R1.3441 CCCCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210211 [0,1,0,1,0,0|2,0,0]=4 25722 B13R1.3441 CCCCNCC1CCS(=O)(=O)C1 34a_100000737051_100000210210 [0,1,0,1,0,0|2,0,0]=4 25723 B13R1.3523 CS(=O)(=O)CCNC1CCCCC1 2230a_100000182618_100000731031 [0,1,0,1,0,0|2,0,0]=4 25724 B13R1.3523 CS(=O)(=O)CCNC1CCCCC1 270004a_100000740961_100000210434 [0,1,0,1,0,0|2,0,0]=4 25725 B13R1.3523 CS(=O)(=O)CCNC1CCCCC1 34a_100000182618_100000731031 [0,1,0,1,0,0|2,0,0]=4 25726 B13R1.3523 CS(=O)(=O)CCNC1CCCCC1 34a_100000740961_100000210327 [0,1,0,1,0,0|2,0,0]=4 25727 B13R1.3523 CS(=O)(=O)CCOC1CCCCC1 34a_100000210231_100000731031 [0,1,0,1,0,0|2,0,0]=4 25728 B13R1.3523 CS(=O)(=O)CCOC1CCCCC1 34a_100000211924_100000210327 [0,1,0,1,0,0|2,0,0]=4 25729 B13R1.3523 CS(=O)(=O)CCOC1CCCCC1 7a_100000210231_100000230027 [0,1,0,1,0,0|2,0,0]=4 25730 B13R1.3523 CS(=O)(=O)CCOC1CCCCC1 7a_100000211924_100000210327 [0,1,0,1,0,0|2,0,0]=4 25731 B13R1.3523 CS(=O)(=O)CCSC1CCCCC1 62a_100000210327_100000230027 [0,1,0,1,0,0|2,0,0]=4 25732 B13R1.3523 CS(=O)(=O)CCSC1CCCCC1 62a_100000731031_100000210327 [0,1,0,1,0,0|2,0,0]=4 25733 B13R1.3523 CS(=O)(=O)NCCC1CCCCC1 40a_100000738074_100000738038 [0,1,0,1,0,0|2,0,0]=4 25734 B13R1.3672 CCCCCCOCC1CC1(C)C 34a_100000728257_100000210314 [0,1,0,1,0,0|1,0,1]=4 25735 B13R1.3672 CCCCCCOCC1CC1(C)C 7a_100000728257_100000210314 [0,1,0,1,0,0|1,0,1]=4 25736 B13R1.6264 CS(=O)(=O)N1CCCCCCCC1 40a_100000039187_100000738038 [0,1,0,1,0,0|2,0,0]=4 25737 B13R1.6268 CS(=O)(=O)CCN1CCCCCC1 2230a_100000185865_100000731031 [0,1,0,1,0,0|2,0,0]=4 25738 B13R1.6268 CS(=O)(=O)CCN1CCCCCC1 269982a_100000185865_100000731031 [0,1,0,1,0,0|2,0,0]=4 25739 B13R1.6268 CS(=O)(=O)CCN1CCCCCC1 34a_100000185865_100000731031 [0,1,0,1,0,0|2,0,0]=4 25740 B13R1.6268 CS(=O)(=O)NCC1CCCCCC1 40a_100015204231_100000738038 [0,1,0,1,0,0|2,0,0]=4 25741 B13R1.6271 CS(=O)(=O)CCCNCCC1CC1 2230a_100000742409_100000694398 [0,1,0,1,0,0|2,0,0]=4 25742 B13R1.6271 CS(=O)(=O)CCCNCCC1CC1 34a_100000742409_100000694398 [0,1,0,1,0,0|2,0,0]=4 25743 B13R1.6271 CS(=O)(=O)CCCNCCC1CC1 34a_100000764129_100000754308 [0,1,0,1,0,0|2,0,0]=4 25744 B13R1.6271 CS(=O)(=O)CCCOCCC1CC1 34a_100000689940_100000694398 [0,1,0,1,0,0|2,0,0]=4 25745 B13R1.6271 CS(=O)(=O)CCCOCCC1CC1 34a_100000754188_100000754308 [0,1,0,1,0,0|2,0,0]=4 25746 B13R1.6271 CS(=O)(=O)CCCOCCC1CC1 7a_100000689940_100000764125 [0,1,0,1,0,0|2,0,0]=4 25747 B13R1.6271 CS(=O)(=O)CCCOCCC1CC1 7a_100000754188_100000754308 [0,1,0,1,0,0|2,0,0]=4 25748 B13R1.6271 CS(=O)(=O)CCCSCCC1CC1 62a_100000754308_100000764125 [0,1,0,1,0,0|2,0,0]=4 25749 B13R1.6271 CS(=O)(=O)CCCSCCC1CC1 62a_100000764125_100000754308 [0,1,0,1,0,0|2,0,0]=4 25750 B13R1.6279 CS(=O)(=O)NC1CCCCCCC1 40a_100000211152_100000738038 [0,1,0,1,0,0|2,0,0]=4 25751 B13R1.15 CCC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000748023 [0,1,0,1,0,0|2,0,0]=4 25752 B13R1.15 CCC(C)CNC1CCNC(=O)C1 34a_100016994916_100000748023 [0,1,0,1,0,0|2,0,0]=4 25753 B13R1.15 CCC(C)COC1C=C(CCC1)C 34a_100011218613_100000748023 [0,1,0,1,0,0|2,0,0]=4 25754 B13R1.15 CCC(C)COC1CCCC(=O)C1 34a_100012613340_100000748023 [0,1,0,1,0,0|1,0,0]=3 25755 B13R1.15 CCC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000748023 [0,1,0,1,0,0|2,0,0]=4 25756 B13R1.15 CCC(C)OCC1CCCC(=O)N1 34a_200000102386_100011215416 [0,1,0,1,0,0|2,0,0]=4 25757 B13R1.15 CCC(C)OCC1CCNC(=O)C1 34a_100009886756_100011215416 [0,1,0,1,0,0|2,0,0]=4 25758 B13R1.15 CCC(O)CNC1CCNC(=O)C1 2230a_100016994916_100011218378 [0,1,0,1,0,0|2,0,0]=4 25759 B13R1.15 CCC(O)CNC1CCNC(=O)C1 34a_100016994916_100011218378 [0,1,0,1,0,0|2,0,0]=4 25760 B13R1.15 CCC(O)COC1C=C(CCC1)C 34a_100011218613_100011218378 [0,1,0,1,0,0|2,0,0]=4 25761 B13R1.15 CCC(O)COC1CCCC(=O)C1 34a_100012613340_100011218378 [0,1,0,1,0,0|1,0,0]=3 25762 B13R1.15 CCC(O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218378 [0,1,0,1,0,0|2,0,0]=4 25763 B13R1.15 CC[C@H](C)CNC1CCNC(=O)C1 2230a_100016994916_100009816398 [0,1,0,1,0,0|2,0,0]=4 25764 B13R1.15 CC[C@H](C)CNC1CCNC(=O)C1 34a_100016994916_100009816398 [0,1,0,1,0,0|2,0,0]=4 25765 B13R1.15 CC[C@H](C)COC1C=C(CCC1)C 34a_100011218613_100009816398 [0,1,0,1,0,0|2,0,0]=4 25766 B13R1.15 CC[C@H](C)COC1CCCC(=O)C1 34a_100012613340_100009816398 [0,1,0,1,0,0|1,0,0]=3 25767 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 25768 B13R1.15 C[C@@H](CO)COC1CCCC(=O)C1 34a_100012613340_100000059175 [0,1,0,1,0,0|2,0,0]=4 25769 B13R1.15 O=C1CCCC(C1)OCC(O)CO 34a_100012613340_100011219619 [0,1,0,1,0,0|2,0,0]=4 25770 B13R1.15 O=C1CCCC(C1)OC[C@@H](O)CF 34a_100012613340_100015614560 [0,1,0,1,0,0|2,0,0]=4 25771 B13R1.15 O=C1CCCC(C1)OC[C@@H](O)CO 34a_100012613340_100009815848 [0,1,0,1,0,0|2,0,0]=4 25772 B13R1.60 CC(=O)CCCN1CCC(C1)CO 269982a_100000748654_100011215641 [0,1,0,1,0,0|2,0,0]=4 25773 B13R1.60 CC(=O)CCCN1CCC(C1)CO 34a_100000748654_100000685027 [0,1,0,1,0,0|2,0,0]=4 25774 B13R1.60 CCN1CCC(C1)OCCC(=O)C 7a_100000759926_200011861547 [0,1,0,1,0,0|2,0,0]=4 25775 B13R1.60 CCN1CCC(C1)SCCC(=O)C 62a_100000053229_200011861547 [0,1,0,1,0,0|2,0,0]=4 25776 B13R1.60 CO[C@@H]1CCN(C1)CCCC(=O)C 269982a_100000766984_100011215641 [0,1,0,1,0,0|2,0,0]=4 25777 B13R1.150 C=C(C)CNC1CCCC(C1C)C 2230a_100000211273_100000748629 [0,1,0,1,0,0|2,0,0]=4 25778 B13R1.150 C=C(C)CNC1CCCC(C1C)C 34a_100000211273_100000748629 [0,1,0,1,0,0|2,0,0]=4 25779 B13R1.150 C=C(C)COC1CCCC(C1C)C 34a_100011217532_100000748629 [0,1,0,1,0,0|2,0,0]=4 25780 B13R1.150 C=C(C)COC1CCCC(C1C)C 7a_100011217532_100000748629 [0,1,0,1,0,0|2,0,0]=4 25781 B13R1.150 CC1CCCC(C1C)NCC(=O)N 2230a_100000211273_100000747473 [0,1,0,1,0,0|2,0,0]=4 25782 B13R1.150 CC1CCCC(C1C)NCC(=O)N 34a_100000211273_100000187820 [0,1,0,1,0,0|2,0,0]=4 25783 B13R1.150 CC1CCCC(C1C)NCC(=O)[O-] 34a_100000211273_100020667443 [0,1,0,1,0,0|2,0,0]=4 25784 B13R1.150 CC1CCCC(C1C)OCC(=O)N 34a_100011217532_100000187820 [0,1,0,1,0,0|2,0,0]=4 25785 B13R1.150 CC1CCCC(C1C)OCC(=O)N 7a_100011217532_100000187820 [0,1,0,1,0,0|2,0,0]=4 25786 B13R1.150 CC1CCCC(C1C)OCC(=O)[O-] 34a_100011217532_100020667443 [0,1,0,1,0,0|2,0,0]=4 25787 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [0,1,0,1,0,0|0,0,0]=2 25788 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [0,1,0,1,0,0|0,0,0]=2 25789 B13R1.198 CC(=O)OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000033659 [0,1,0,1,0,0|2,0,0]=4 25790 B13R1.198 CC(=O)OCCCOCC1CC1C 34a_100000744939_100000042594 [0,1,0,1,0,0|1,0,0]=3 25791 B13R1.198 CC(=O)OCCCOCC1CC1C 7a_100000744939_100000042594 [0,1,0,1,0,0|1,0,0]=3 25792 B13R1.198 CC(=O)SCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200010402107 [0,1,0,1,0,0|2,0,0]=4 25793 B13R1.198 CC(=O)SCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200010402107 [0,1,0,1,0,0|2,0,0]=4 25794 B13R1.198 CC(=O)SCCCCN[C@@H]1C[C@H]1F 34a_100025746932_200010402107 [0,1,0,1,0,0|2,0,0]=4 25795 B13R1.198 CC(=O)SCCCOCC1CC1C 34a_100000744939_100000038929 [0,1,0,1,0,0|1,0,0]=3 25796 B13R1.198 CC(=O)SCCCOCC1CC1C 7a_100000744939_100000038929 [0,1,0,1,0,0|1,0,0]=3 25797 B13R1.198 CC(=S)OCCCOCC1CC1C 34a_100000744939_200135323944 [0,1,0,1,0,0|1,1,0]=4 25798 B13R1.198 CC(=S)OCCCOCC1CC1C 7a_100000744939_200135323944 [0,1,0,1,0,0|1,1,0]=4 25799 B13R1.198 CC(C)CCCCOCC1CC1C 34a_100000744939_100011216152 [0,1,0,1,0,0|1,0,1]=4 25800 B13R1.198 CC(C)CCCCOCC1CC1C 7a_100000744939_100011216152 [0,1,0,1,0,0|1,0,1]=4 25801 B13R1.198 CC1CC1COCCOCC(=O)N 34a_100000744939_100000076697 [0,1,0,1,0,0|2,0,0]=4 25802 B13R1.198 CC1CC1COCCOCC(=O)N 7a_100000744939_100000076697 [0,1,0,1,0,0|2,0,0]=4 25803 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009817443 [0,1,0,1,0,0|2,0,0]=4 25804 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009817443 [0,1,0,1,0,0|2,0,0]=4 25805 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817443 [0,1,0,1,0,0|2,0,0]=4 25806 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100000735457_100009892977 [0,1,0,1,0,0|1,0,1]=4 25807 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100009892977_100000735457 [0,1,0,1,0,0|1,0,1]=4 25808 B13R1.297 CC(=O)CCOCCC1CCC1=O 7a_100000759926_200016118888 [0,1,0,1,0,0|1,0,1]=4 25809 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_100000053229_200016118888 [0,1,0,1,0,0|1,0,1]=4 25810 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_200016118888_100000053229 [0,1,0,1,0,0|1,0,1]=4 25811 B13R1.297 CC(=O)OCCCCN1CCC1C 269982a_100000755817_100000033659 [0,1,0,1,0,0|1,0,0]=3 25812 B13R1.297 CC(=O)OCCCCN1CCC1C 34a_100000755817_100000033659 [0,1,0,1,0,0|1,0,0]=3 25813 B13R1.297 CC(=O)OCCOCN1CCC1C 269982a_100000755817_100000076355 [0,1,0,1,0,0|2,0,0]=4 25814 B13R1.297 CC(=O)OCCOCN1CCC1C 34a_100000755817_100000076355 [0,1,0,1,0,0|2,0,0]=4 25815 B13R1.297 CC(=O)SCCCCN1CCC1C 269982a_100000755817_200010402107 [0,1,0,1,0,0|1,0,0]=3 25816 B13R1.297 CC(=O)SCCCCN1CCC1C 34a_100000755817_200010402107 [0,1,0,1,0,0|1,0,0]=3 25817 B13R1.297 CC(C)CCCCCN1CCC1C 269982a_100000755817_100000210682 [0,1,0,1,0,0|1,0,1]=4 25818 B13R1.297 CC(C)CCCCCN1CCC1C 34a_100000755817_100000210682 [0,1,0,1,0,0|1,0,1]=4 25819 B13R1.297 CC1CCN1CCCCCC(=O)N 269982a_100000755817_100009817443 [0,1,0,1,0,0|1,0,0]=3 25820 B13R1.297 CC1CCN1CCCCCC(=O)N 34a_100000755817_100009817443 [0,1,0,1,0,0|1,0,0]=3 25821 B13R1.513 C=C(C)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000730704 [0,1,0,1,0,0|2,0,0]=4 25822 B13R1.513 C=C(C)CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000730704 [0,1,0,1,0,0|2,0,0]=4 25823 B13R1.513 C=C(C)CCOC1CCC(CC1)C 34a_100000210714_100000730704 [0,1,0,1,0,0|2,0,0]=4 25824 B13R1.513 C=C(C)CCOC1CCC(CC1)C 34a_100000764851_200011216234 [0,1,0,1,0,0|2,0,0]=4 25825 B13R1.513 C=C(C)CCOC1CCC(CC1)C 7a_100000210714_100000730704 [0,1,0,1,0,0|2,0,0]=4 25826 B13R1.513 C=C(C)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000730704 [0,1,0,1,0,0|2,0,0]=4 25827 B13R1.513 C=C(C)CCSC1CCC(CC1)C 62a_100000730704_200011216234 [0,1,0,1,0,0|2,0,0]=4 25828 B13R1.513 C=C(C)CNCC1CCC(CC1)C 2230a_103436935547_100000748629 [0,1,0,1,0,0|2,0,0]=4 25829 B13R1.513 C=C(C)CNCC1CCC(CC1)C 34a_103436935547_100000748629 [0,1,0,1,0,0|2,0,0]=4 25830 B13R1.513 C=C(C)COCC1CCC(CC1)C 34a_100000701341_100000748629 [0,1,0,1,0,0|2,0,0]=4 25831 B13R1.513 C=C(C)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000748629 [0,1,0,1,0,0|2,0,0]=4 25832 B13R1.513 C=C1CCN(CC1)CCCC(=O)C 269982a_100000752442_100011215641 [0,1,0,1,0,0|1,0,1]=4 25833 B13R1.513 C=C1CCN(CC1)CCCC(=O)C 34a_100000752442_100000685027 [0,1,0,1,0,0|1,0,1]=4 25834 B13R1.513 CC(=O)CCCN1CCC(CC1)C 269982a_100000188429_100011215641 [0,1,0,1,0,0|1,0,0]=3 25835 B13R1.513 CC(=O)CCCN1CCC(CC1)C 34a_100000188429_100000685027 [0,1,0,1,0,0|1,0,0]=3 25836 B13R1.513 CC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100011215641 [0,1,0,1,0,0|1,0,0]=3 25837 B13R1.513 CC(=O)CCCN1CCC(CC1)F 34a_100015193889_100000685027 [0,1,0,1,0,0|1,0,0]=3 25838 B13R1.513 CC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100011215641 [0,1,0,1,0,0|1,0,0]=3 25839 B13R1.513 CC(=O)CCCN1CCN(CC1)C 1458a_100000070787_100000756640 [0,1,0,1,0,0|2,0,0]=4 25840 B13R1.513 CC(=O)CCCN1CCN(CC1)C 1458a_100011247015_200000210301 [0,1,0,1,0,0|2,0,0]=4 25841 B13R1.513 CC(=O)CCCN1CCN(CC1)C 269982a_100000188432_100011215641 [0,1,0,1,0,0|2,0,0]=4 25842 B13R1.513 CC(=O)CCCN1CCS(=O)CC1 269982a_100000752083_100011215641 [0,1,0,1,0,0|2,0,0]=4 25843 B13R1.513 CC(=O)CCOC1CCC(=O)CC1 7a_100000764474_100000053229 [0,1,0,1,0,0|1,0,1]=4 25844 B13R1.513 CC(=O)CCOC1CCC(CC1)C 34a_100000759926_200011216234 [0,1,0,1,0,0|1,0,0]=3 25845 B13R1.513 CC(=O)CCOC1CCC(CC1)C 7a_100000210714_100000053229 [0,1,0,1,0,0|1,0,0]=3 25846 B13R1.513 CC(=O)CCSC1CCC(CC1)C 62a_100000053229_200011216234 [0,1,0,1,0,0|1,0,0]=3 25847 B13R1.513 CC(=O)CCSC1CCN(CC1)C 62a_100000053229_100011215917 [0,1,0,1,0,0|2,0,0]=4 25848 B13R1.513 CC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100015343762 [0,1,0,1,0,0|1,0,0]=3 25849 B13R1.513 CC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100015343762 [0,1,0,1,0,0|1,0,0]=3 25850 B13R1.513 CC(=O)NCCC1CCC(CC1)O 527a_200011935226_100103153847 [0,1,0,1,0,0|1,0,0]=3 25851 B13R1.513 CC(=O)NCCC1CCN(CC1)C 1626a_100000748683_100015343762 [0,1,0,1,0,0|2,0,0]=4 25852 B13R1.513 CC(=O)NCCC1CCN(CC1)C 2230a_100011370063_200000210301 [0,1,0,1,0,0|2,0,0]=4 25853 B13R1.513 CC(=O)NCCC1CCN(CC1)C 240690a_100000748683_100015343762 [0,1,0,1,0,0|2,0,0]=4 25854 B13R1.513 CC(=O)NCCC1CCN(CC1)C 269982a_100011370063_200000210301 [0,1,0,1,0,0|2,0,0]=4 25855 B13R1.513 CC(=O)NCCC1CCN(CC1)C 34a_100011370063_200000210301 [0,1,0,1,0,0|2,0,0]=4 25856 B13R1.513 CC(=O)NCCC1CCN(CC1)C 527a_100000748683_100103153847 [0,1,0,1,0,0|2,0,0]=4 25857 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 2230a_100011370063_200025704644 [0,1,0,1,0,0|2,0,0]=4 25858 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 269982a_100011370063_200025704644 [0,1,0,1,0,0|2,0,0]=4 25859 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 34a_100011370063_200025704644 [0,1,0,1,0,0|2,0,0]=4 25860 B13R1.513 CC(=O)NCCN1CCC(CC1)C 2230a_100000188429_100000189650 [0,1,0,1,0,0|2,0,0]=4 25861 B13R1.513 CC(=O)NCCN1CCC(CC1)C 240690a_100000739677_100015343762 [0,1,0,1,0,0|2,0,0]=4 25862 B13R1.513 CC(=O)NCCN1CCC(CC1)C 269982a_100000188429_100000189650 [0,1,0,1,0,0|2,0,0]=4 25863 B13R1.513 CC(=O)NCCN1CCC(CC1)C 527a_100000739677_100103153847 [0,1,0,1,0,0|2,0,0]=4 25864 B13R1.513 CC(=O)NCCN1CCC(CC1)F 2230a_100015193889_100000189650 [0,1,0,1,0,0|2,0,0]=4 25865 B13R1.513 CC(=O)NCCN1CCC(CC1)F 269982a_100015193889_100000189650 [0,1,0,1,0,0|2,0,0]=4 25866 B13R1.513 CC(=O)NCCN1CCC(CC1)O 2230a_100025773856_100000189650 [0,1,0,1,0,0|2,0,0]=4 25867 B13R1.513 CC(=O)NCCN1CCC(CC1)O 240690a_100020666255_100015343762 [0,1,0,1,0,0|2,0,0]=4 25868 B13R1.513 CC(=O)NCCN1CCC(CC1)O 269982a_100025773856_100000189650 [0,1,0,1,0,0|2,0,0]=4 25869 B13R1.513 CC(=O)NCCN1CCC(CC1)O 527a_100020666255_100103153847 [0,1,0,1,0,0|2,0,0]=4 25870 B13R1.513 CC(=O)OCCN1CCC(CC1)C 269982a_100000188429_100009814007 [0,1,0,1,0,0|2,0,0]=4 25871 B13R1.513 CC(=O)OCCN1CCC(CC1)C 34a_100000188429_100009814007 [0,1,0,1,0,0|2,0,0]=4 25872 B13R1.513 CC(=O)OCCN1CCC(CC1)F 269982a_100015193889_100009814007 [0,1,0,1,0,0|2,0,0]=4 25873 B13R1.513 CC(=O)OCCN1CCC(CC1)F 34a_100015193889_100009814007 [0,1,0,1,0,0|2,0,0]=4 25874 B13R1.513 CC(=O)OCCN1CCC(CC1)O 269982a_100025773856_100009814007 [0,1,0,1,0,0|2,0,0]=4 25875 B13R1.513 CC(=O)OCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009813279 [0,1,0,1,0,0|2,0,0]=4 25876 B13R1.513 CC(=O)OCOC1CCC(CC1)C 34a_100000210714_100009813279 [0,1,0,1,0,0|2,0,0]=4 25877 B13R1.513 CC(=O)OCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009813279 [0,1,0,1,0,0|2,0,0]=4 25878 B13R1.513 CC(=O)OCSC1CCC(CC1)C 62a_100000076356_200011216234 [0,1,0,1,0,0|2,0,0]=4 25879 B13R1.513 CC1CCC(CC1)CNCC(=O)N 2230a_103436935547_100000747473 [0,1,0,1,0,0|2,0,0]=4 25880 B13R1.513 CC1CCC(CC1)CNCC(=O)N 34a_103436935547_100000187820 [0,1,0,1,0,0|2,0,0]=4 25881 B13R1.513 CC1CCC(CC1)CNCC(=O)[O-] 34a_103436935547_100020667443 [0,1,0,1,0,0|2,0,0]=4 25882 B13R1.513 CC1CCC(CC1)COCC(=O)N 34a_100000701341_100000187820 [0,1,0,1,0,0|2,0,0]=4 25883 B13R1.513 CC1CCC(CC1)COCC(=O)[O-] 34a_100000701341_100020667443 [0,1,0,1,0,0|2,0,0]=4 25884 B13R1.513 CC1CCC(CC1)OCCC(=O)N 34a_100000210714_100000731001 [0,1,0,1,0,0|2,0,0]=4 25885 B13R1.513 CC1CCC(CC1)OCCC(=O)N 34a_100000757172_200011216234 [0,1,0,1,0,0|2,0,0]=4 25886 B13R1.513 CC1CCC(CC1)OCCC(=O)N 7a_100000210714_100000744528 [0,1,0,1,0,0|2,0,0]=4 25887 B13R1.513 CC1CCC(CC1)SCCC(=O)N 62a_100000744528_200011216234 [0,1,0,1,0,0|2,0,0]=4 25888 B13R1.513 CC1CCN(CC1)CCCC(=O)N 269982a_100000188429_100102525003 [0,1,0,1,0,0|2,0,0]=4 25889 B13R1.513 CC1CCN(CC1)CCCC(=O)N 34a_100000188429_100102525003 [0,1,0,1,0,0|2,0,0]=4 25890 B13R1.513 CN1CCN(CC1)CCCC(=O)[13CH3] 1458a_100011247015_200025704644 [0,1,0,1,0,0|2,0,0]=4 25891 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N 2230a_100020625639_100000744528 [0,1,0,1,0,0|2,0,0]=4 25892 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N 34a_100020625639_100000731001 [0,1,0,1,0,0|2,0,0]=4 25893 B13R1.513 NC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100102525003 [0,1,0,1,0,0|2,0,0]=4 25894 B13R1.513 NC(=O)CCCN1CCC(CC1)F 34a_100015193889_100102525003 [0,1,0,1,0,0|2,0,0]=4 25895 B13R1.513 NC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100102525003 [0,1,0,1,0,0|2,0,0]=4 25896 B13R1.513 NC(=O)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000731001 [0,1,0,1,0,0|2,0,0]=4 25897 B13R1.513 NC(=O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000187820 [0,1,0,1,0,0|2,0,0]=4 25898 B13R1.513 N[C@H]1CC[C@@H](CC1)COCC(=O)[O-] 34a_100009821084_100020667443 [0,1,0,1,0,0|2,0,0]=4 25899 B13R1.530 CC(CO)CCNCC1CC(=O)C1 2230a_106354213184_100009874392 [0,1,0,1,0,0|2,0,0]=4 25900 B13R1.530 CCC(C)CCNCC1CC(=O)C1 2230a_100020591266_100009874392 [0,1,0,1,0,0|1,0,0]=3 25901 B13R1.530 CCC(C)CCOCC1CC(=O)C1 7a_100011215188_100009874392 [0,1,0,1,0,0|1,0,0]=3 25902 B13R1.530 CCN(C)CCCSC1CC(=O)C1 62a_100009894365_100015186262 [0,1,0,1,0,0|2,0,0]=4 25903 B13R1.530 COC(C)CCOCC1CC(=O)C1 7a_100000764861_100009874392 [0,1,0,1,0,0|2,0,0]=4 25904 B13R1.538 CNC(=O)CCCOCC1CC1C 34a_100000744939_100000741757 [0,1,0,1,0,0|1,0,0]=3 25905 B13R1.538 CNC(=O)CCCOCC1CC1C 7a_100000744939_100000741757 [0,1,0,1,0,0|1,0,0]=3 25906 B13R1.538 CNC(=O)OCCOCC1CC1C 34a_100000744939_200011997002 [0,1,0,1,0,0|2,0,0]=4 25907 B13R1.538 CNC(=O)OCCOCC1CC1C 7a_100000744939_200011997002 [0,1,0,1,0,0|2,0,0]=4 25908 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204269 [0,1,0,1,0,0|2,0,0]=4 25909 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204269 [0,1,0,1,0,0|2,0,0]=4 25910 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000204269 [0,1,0,1,0,0|2,0,0]=4 25911 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [0,1,0,1,0,0|1,0,0]=3 25912 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [0,1,0,1,0,0|1,0,0]=3 25913 B13R1.547 CCC(=O)C1CCCCN1C(=O)C 1458a_100000195068_100000210202 [0,1,0,1,0,0|1,0,1]=4 25914 B13R1.547 CCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210202 [0,1,0,1,0,0|1,0,1]=4 25915 B13R1.547 CCC(C)N1CCCCC1C(=O)N 2230a_100000181395_100000758301 [0,1,0,1,0,0|2,0,0]=4 25916 B13R1.547 CCC(C)N1CCCCC1C(=O)N 269982a_100000181395_100000758301 [0,1,0,1,0,0|2,0,0]=4 25917 B13R1.547 CCC(C)N1CCCCC1C(=O)N 34a_100000181395_100011215416 [0,1,0,1,0,0|2,0,0]=4 25918 B13R1.547 CCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000758301 [0,1,0,1,0,0|2,0,0]=4 25919 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)C 1458a_100009817520_200000210301 [0,1,0,1,0,0|1,0,1]=4 25920 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)[13CH3] 1458a_100009817520_200025704644 [0,1,0,1,0,0|1,0,1]=4 25921 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [0,1,0,1,0,0|0,0,0]=2 25922 B13R1.586 CC(=O)CCCCNCC1COC1 34a_100015281925_100009817362 [0,1,0,1,0,0|1,0,0]=3 25923 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100009817362 [0,1,0,1,0,0|1,0,0]=3 25924 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [0,1,0,1,0,0|0,0,0]=2 25925 B13R1.586 CC(=O)CCCCOCC1CCO1 34a_100000039022_100009817362 [0,1,0,1,0,0|1,0,0]=3 25926 B13R1.586 CC(=O)CCCCOCC1CNC1 34a_100016987283_100009817362 [0,1,0,1,0,0|1,0,0]=3 25927 B13R1.586 CC(=O)CCCCOCC1COC1 34a_100000060846_100009817362 [0,1,0,1,0,0|1,0,0]=3 25928 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [0,1,0,1,0,0|0,0,0]=2 25929 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [0,1,0,1,0,0|0,0,0]=2 25930 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000103362_100000735457 [0,1,0,1,0,0|1,0,0]=3 25931 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000735457_100000103362 [0,1,0,1,0,0|1,0,0]=3 25932 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100000735457_100010264016 [0,1,0,1,0,0|1,0,0]=3 25933 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100010264016_100000735457 [0,1,0,1,0,0|1,0,0]=3 25934 B13R1.586 CC(=O)CCCOCCC1COC1 34a_100009855314_100000685027 [0,1,0,1,0,0|1,0,0]=3 25935 B13R1.586 CC(=O)NCCCCNC1CCC1 270004a_200011368371_100000241760 [0,1,0,1,0,0|1,0,0]=3 25936 B13R1.586 CC(=O)NCCCCNC1CCC1 34a_200011368371_100000749161 [0,1,0,1,0,0|1,0,0]=3 25937 B13R1.586 CC(=O)NCCCCNC1COC1 34a_200011368371_100009818527 [0,1,0,1,0,0|2,0,0]=4 25938 B13R1.586 CC(=O)NCCCNCC1CCC1 269862a_100000736810_100000753134 [0,1,0,1,0,0|1,0,0]=3 25939 B13R1.586 CC(=O)NCCCNCC1CCC1 34a_100000736810_100000763275 [0,1,0,1,0,0|1,0,0]=3 25940 B13R1.586 CC(=O)NCCCNCC1CCO1 34a_100000736810_100000103362 [0,1,0,1,0,0|2,0,0]=4 25941 B13R1.586 CC(=O)NCCCNCC1COC1 34a_100000736810_100010264016 [0,1,0,1,0,0|2,0,0]=4 25942 B13R1.586 CC(=O)NCCCOCC1CCC1 34a_100000752032_100000763275 [0,1,0,1,0,0|1,0,0]=3 25943 B13R1.586 CC(=O)NCCCOCC1CCO1 34a_100000752032_100000103362 [0,1,0,1,0,0|2,0,0]=4 25944 B13R1.586 CC(=O)NCCCOCC1COC1 34a_100000752032_100010264016 [0,1,0,1,0,0|2,0,0]=4 25945 B13R1.586 CC(=O)OCCCCCN1CCC1 269982a_100000754969_100000033007 [0,1,0,1,0,0|1,0,0]=3 25946 B13R1.586 CC(=O)OCCCCNC1CCC1 34a_100000749019_100000033659 [0,1,0,1,0,0|1,0,0]=3 25947 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000073216_100000749161 [0,1,0,1,0,0|1,0,0]=3 25948 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000748187_100000033659 [0,1,0,1,0,0|1,0,0]=3 25949 B13R1.586 CC(=O)OCCCCOC1COC1 34a_100000073216_100009818527 [0,1,0,1,0,0|2,0,0]=4 25950 B13R1.586 CC(=O)OCCCCOC1COC1 7a_100000073216_100009818527 [0,1,0,1,0,0|2,0,0]=4 25951 B13R1.586 CC(=O)OCCCCOC1CSC1 7a_100000072292_100000033659 [0,1,0,1,0,0|2,0,0]=4 25952 B13R1.586 CC(=O)OCCCCSC1CCC1 62a_100000033659_100000749161 [0,1,0,1,0,0|1,0,0]=3 25953 B13R1.586 CC(=O)OCCCCSC1COC1 62a_100000033659_100009818527 [0,1,0,1,0,0|2,0,0]=4 25954 B13R1.586 CC(=O)OCCCNCC1CCC1 34a_100000738700_100000042594 [0,1,0,1,0,0|1,0,0]=3 25955 B13R1.586 CC(=O)OCCCNCC1COC1 34a_100015281925_100000042594 [0,1,0,1,0,0|2,0,0]=4 25956 B13R1.586 CC(=O)OCCCNC[C@@H]1CCO1 34a_100020831831_100000042594 [0,1,0,1,0,0|2,0,0]=4 25957 B13R1.586 CC(=O)OCCCOCC1CCC1 34a_100000760304_100000042594 [0,1,0,1,0,0|1,0,0]=3 25958 B13R1.586 CC(=O)OCCCOCC1CCO1 34a_100000039022_100000042594 [0,1,0,1,0,0|2,0,0]=4 25959 B13R1.586 CC(=O)OCCCOCC1CNC1 34a_100016987283_100000042594 [0,1,0,1,0,0|2,0,0]=4 25960 B13R1.586 CC(=O)OCCCOCC1COC1 34a_100000060846_100000042594 [0,1,0,1,0,0|2,0,0]=4 25961 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000042594_100000763275 [0,1,0,1,0,0|1,0,0]=3 25962 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000763275_100000042594 [0,1,0,1,0,0|1,0,0]=3 25963 B13R1.586 CC(=O)OCCCSCC1CCO1 62a_100000042594_100000103362 [0,1,0,1,0,0|2,0,0]=4 25964 B13R1.586 CC(=O)OCCCSCC1CCO1 62a_100000103362_100000042594 [0,1,0,1,0,0|2,0,0]=4 25965 B13R1.586 CC(=O)OCCCSCC1COC1 62a_100000042594_100010264016 [0,1,0,1,0,0|2,0,0]=4 25966 B13R1.586 CC(=O)OCCCSCC1COC1 62a_100010264016_100000042594 [0,1,0,1,0,0|2,0,0]=4 25967 B13R1.586 CC(=O)OCCOCCC1COC1 34a_100009855314_100009814007 [0,1,0,1,0,0|2,0,0]=4 25968 B13R1.586 CC(=O)OCCOCCN1CCC1 269982a_100000754969_200000083610 [0,1,0,1,0,0|2,0,0]=4 25969 B13R1.586 CC(=O)OCCOCNC1CCC1 34a_100000749019_100000076355 [0,1,0,1,0,0|2,0,0]=4 25970 B13R1.586 CC(=O)OCCOCOC1CCC1 34a_100000748187_100000076355 [0,1,0,1,0,0|2,0,0]=4 25971 B13R1.586 CC(=O)OCCOCSC1CCC1 62a_100000076355_100000749161 [0,1,0,1,0,0|2,0,0]=4 25972 B13R1.586 CC(=O)SCCCCNC1CCC1 2230a_100000749019_200010402107 [0,1,0,1,0,0|1,0,0]=3 25973 B13R1.586 CC(=O)SCCCCNC1CCC1 34a_100000749019_200010402107 [0,1,0,1,0,0|1,0,0]=3 25974 B13R1.586 CC(=O)SCCCCNC1COC1 2230a_100016991112_200010402107 [0,1,0,1,0,0|2,0,0]=4 25975 B13R1.586 CC(=O)SCCCCOC1CCC1 34a_100000748187_200010402107 [0,1,0,1,0,0|1,0,0]=3 25976 B13R1.586 CC(=O)SCCCCOC1CSC1 7a_100000072292_200010402107 [0,1,0,1,0,0|2,0,0]=4 25977 B13R1.586 CC(=O)SCCCCSC1CCC1 62a_200010402107_100000749161 [0,1,0,1,0,0|1,0,0]=3 25978 B13R1.586 CC(=O)SCCCCSC1COC1 62a_200010402107_100009818527 [0,1,0,1,0,0|2,0,0]=4 25979 B13R1.586 CC(=O)SCCCNCC1CCC1 2230a_100000738700_100000038929 [0,1,0,1,0,0|1,0,0]=3 25980 B13R1.586 CC(=O)SCCCNCC1CCC1 34a_100000738700_100000038929 [0,1,0,1,0,0|1,0,0]=3 25981 B13R1.586 CC(=O)SCCCNCC1COC1 2230a_100015281925_100000038929 [0,1,0,1,0,0|2,0,0]=4 25982 B13R1.586 CC(=O)SCCCNCC1COC1 34a_100015281925_100000038929 [0,1,0,1,0,0|2,0,0]=4 25983 B13R1.586 CC(=O)SCCCNC[C@@H]1CCO1 2230a_100020831831_100000038929 [0,1,0,1,0,0|2,0,0]=4 25984 B13R1.586 CC(=O)SCCCNC[C@@H]1CCO1 34a_100020831831_100000038929 [0,1,0,1,0,0|2,0,0]=4 25985 B13R1.586 CC(=O)SCCCOCC1CCC1 34a_100000760304_100000038929 [0,1,0,1,0,0|1,0,0]=3 25986 B13R1.586 CC(=O)SCCCOCC1CCO1 34a_100000039022_100000038929 [0,1,0,1,0,0|2,0,0]=4 25987 B13R1.586 CC(=O)SCCCOCC1CNC1 34a_100016987283_100000038929 [0,1,0,1,0,0|2,0,0]=4 25988 B13R1.586 CC(=O)SCCCOCC1COC1 34a_100000060846_100000038929 [0,1,0,1,0,0|2,0,0]=4 25989 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000038929_100000763275 [0,1,0,1,0,0|1,0,0]=3 25990 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000763275_100000038929 [0,1,0,1,0,0|1,0,0]=3 25991 B13R1.586 CC(=O)SCCCSCC1CCO1 62a_100000038929_100000103362 [0,1,0,1,0,0|2,0,0]=4 25992 B13R1.586 CC(=O)SCCCSCC1CCO1 62a_100000103362_100000038929 [0,1,0,1,0,0|2,0,0]=4 25993 B13R1.586 CC(=O)SCCCSCC1COC1 62a_100000038929_100010264016 [0,1,0,1,0,0|2,0,0]=4 25994 B13R1.586 CC(=O)SCCCSCC1COC1 62a_100010264016_100000038929 [0,1,0,1,0,0|2,0,0]=4 25995 B13R1.586 CC(=S)OCCCNCC1CCC1 2230a_100000738700_200135323944 [0,1,0,1,0,0|1,1,0]=4 25996 B13R1.586 CC(=S)OCCCNCC1CCC1 34a_100000738700_200135323944 [0,1,0,1,0,0|1,1,0]=4 25997 B13R1.586 CC(=S)OCCCOCC1CCC1 34a_100000760304_200135323944 [0,1,0,1,0,0|1,1,0]=4 25998 B13R1.586 CC(=S)OCCCSCC1CCC1 62a_100000763275_200135323944 [0,1,0,1,0,0|1,1,0]=4 25999 B13R1.586 CC(=S)OCCCSCC1CCC1 62a_200135323944_100000763275 [0,1,0,1,0,0|1,1,0]=4 26000 B13R1.586 CC(C)CCCCCNC1CCC1 2230a_100000749019_100000210682 [0,1,0,1,0,0|1,0,1]=4 26001 B13R1.586 CC(C)CCCCCNC1CCC1 270004a_100011290863_100000241760 [0,1,0,1,0,0|1,0,1]=4 26002 B13R1.586 CC(C)CCCCCNC1CCC1 34a_100000749019_100000210682 [0,1,0,1,0,0|1,0,1]=4 26003 B13R1.586 CC(C)CCCCCNC1CCC1 34a_100011290863_100000749161 [0,1,0,1,0,0|1,0,1]=4 26004 B13R1.586 CC(C)CCCCCOC1CCC1 34a_100000748187_100000210682 [0,1,0,1,0,0|1,0,1]=4 26005 B13R1.586 CC(C)CCCCCOC1CCC1 34a_100011995859_100000749161 [0,1,0,1,0,0|1,0,1]=4 26006 B13R1.586 CC(C)CCCCCSC1CCC1 62a_100000210682_100000749161 [0,1,0,1,0,0|1,0,1]=4 26007 B13R1.586 CC(C)CCCCNCC1CCC1 2230a_100000738700_100011216152 [0,1,0,1,0,0|1,0,1]=4 26008 B13R1.586 CC(C)CCCCNCC1CCC1 34a_100000738700_100011216152 [0,1,0,1,0,0|1,0,1]=4 26009 B13R1.586 CC(C)CCCCOCC1CCC1 34a_100000760304_100011216152 [0,1,0,1,0,0|1,0,1]=4 26010 B13R1.586 CC(C)CCCCOCC1CCC1 34a_100011214890_100000763275 [0,1,0,1,0,0|1,0,1]=4 26011 B13R1.586 CC(C)CCCCOCC1CCC1 7a_100011214890_100000763275 [0,1,0,1,0,0|1,0,1]=4 26012 B13R1.586 CC(C)CCCCSCC1CCC1 62a_100000763275_100011216152 [0,1,0,1,0,0|1,0,1]=4 26013 B13R1.586 CC(C)CCCCSCC1CCC1 62a_100011216152_100000763275 [0,1,0,1,0,0|1,0,1]=4 26014 B13R1.586 CN(C)CCCCNCC1CCC1 269862a_100025707445_100000753134 [0,1,0,1,0,0|2,0,0]=4 26015 B13R1.586 CN(C)CCCCSCC1CCC1 62a_100000763275_100000690147 [0,1,0,1,0,0|2,0,0]=4 26016 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [0,1,0,1,0,0|1,0,0]=3 26017 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [0,1,0,1,0,0|1,0,0]=3 26018 B13R1.586 NC(=O)CCCCCNC1COC1 2230a_100016991112_100009817443 [0,1,0,1,0,0|2,0,0]=4 26019 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [0,1,0,1,0,0|1,0,0]=3 26020 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [0,1,0,1,0,0|1,0,0]=3 26021 B13R1.586 NC(=O)CCCCCOC1COC1 34a_100000123541_100009818527 [0,1,0,1,0,0|2,0,0]=4 26022 B13R1.586 NC(=O)CCCCCOC1COC1 7a_100000123541_100009818527 [0,1,0,1,0,0|2,0,0]=4 26023 B13R1.586 NC(=O)CCCCCOC1CSC1 7a_100000072292_100009817443 [0,1,0,1,0,0|2,0,0]=4 26024 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [0,1,0,1,0,0|1,0,0]=3 26025 B13R1.586 NC(=O)CCCCCSC1COC1 62a_100009817443_100009818527 [0,1,0,1,0,0|2,0,0]=4 26026 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [0,1,0,1,0,0|1,0,0]=3 26027 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [0,1,0,1,0,0|1,0,0]=3 26028 B13R1.586 NC(=O)CCCCNCC1CCO1 34a_100000696515_100000103362 [0,1,0,1,0,0|2,0,0]=4 26029 B13R1.586 NC(=O)CCCCNCC1COC1 34a_100000696515_100010264016 [0,1,0,1,0,0|2,0,0]=4 26030 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [0,1,0,1,0,0|1,0,0]=3 26031 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [0,1,0,1,0,0|1,0,0]=3 26032 B13R1.586 NC(=O)CCCCOCC1CCO1 34a_100012022536_100000103362 [0,1,0,1,0,0|2,0,0]=4 26033 B13R1.586 NC(=O)CCCCOCC1CCO1 7a_100012022536_100000103362 [0,1,0,1,0,0|2,0,0]=4 26034 B13R1.586 NC(=O)CCCCOCC1COC1 34a_100012022536_100010264016 [0,1,0,1,0,0|2,0,0]=4 26035 B13R1.586 NC(=O)CCCCOCC1COC1 7a_100012022536_100010264016 [0,1,0,1,0,0|2,0,0]=4 26036 B13R1.586 NC(=O)CCCOCCC1COC1 34a_100009855314_100102525003 [0,1,0,1,0,0|2,0,0]=4 26037 B13R1.586 NC(=O)COCCNCC1CCC1 2230a_100000738700_100000076697 [0,1,0,1,0,0|2,0,0]=4 26038 B13R1.586 NC(=O)COCCNCC1CCC1 34a_100000738700_100000076697 [0,1,0,1,0,0|2,0,0]=4 26039 B13R1.586 NC(=O)COCCOCC1CCC1 34a_100000760304_100000076697 [0,1,0,1,0,0|2,0,0]=4 26040 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000076697_100000763275 [0,1,0,1,0,0|2,0,0]=4 26041 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000763275_100000076697 [0,1,0,1,0,0|2,0,0]=4 26042 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,1,0,1,0,0|2,0,0]=4 26043 B13R1.586 O=C([O-])CCCCCOC1COC1 7a_100102619762_100009818527 [0,1,0,1,0,0|2,0,0]=4 26044 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 34a_200015379883_100000763275 [0,1,0,1,0,0|2,0,0]=4 26045 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 7a_200015379883_100000763275 [0,1,0,1,0,0|2,0,0]=4 26046 B13R1.594 CCC(=O)NCCNCCC1CC1 34a_100132302217_100000694398 [0,1,0,1,0,0|2,0,0]=4 26047 B13R1.594 CCC(=O)NCCOCCC1CC1 34a_200000158885_100000694398 [0,1,0,1,0,0|2,0,0]=4 26048 B13R1.594 CCC(=O)NCCOCCC1CC1 7a_200000158885_100000764125 [0,1,0,1,0,0|2,0,0]=4 26049 B13R1.594 CCC(=O)OCCOCCC1CC1 7a_200000031056_100000764125 [0,1,0,1,0,0|2,0,0]=4 26050 B13R1.594 CNC(=O)CCCNCCC1CC1 2230a_100000740002_100000694398 [0,1,0,1,0,0|1,0,0]=3 26051 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000740002_100000694398 [0,1,0,1,0,0|1,0,0]=3 26052 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000764129_100000741757 [0,1,0,1,0,0|1,0,0]=3 26053 B13R1.594 CNC(=O)CCCNCCC1CO1 2230a_100000740002_100000732470 [0,1,0,1,0,0|2,0,0]=4 26054 B13R1.594 CNC(=O)CCCNCCC1CO1 34a_100000740002_100000732470 [0,1,0,1,0,0|2,0,0]=4 26055 B13R1.594 CNC(=O)CCCOCCC1CC1 34a_100000754188_100000741757 [0,1,0,1,0,0|1,0,0]=3 26056 B13R1.594 CNC(=O)CCCOCCC1CC1 7a_100000754188_100000741757 [0,1,0,1,0,0|1,0,0]=3 26057 B13R1.594 CNC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000741757 [0,1,0,1,0,0|2,0,0]=4 26058 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000741757_100000764125 [0,1,0,1,0,0|1,0,0]=3 26059 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000764125_100000741757 [0,1,0,1,0,0|1,0,0]=3 26060 B13R1.594 CNC(=O)CCCSCCC1CO1 62a_100000732470_100000741757 [0,1,0,1,0,0|2,0,0]=4 26061 B13R1.594 CNC(=O)CCCSCCC1CO1 62a_100000741757_100000732470 [0,1,0,1,0,0|2,0,0]=4 26062 B13R1.594 CNC(=O)CCNCCCC1CO1 2230a_100000738227_100000733510 [0,1,0,1,0,0|2,0,0]=4 26063 B13R1.594 CNC(=O)CCNCCCC1CO1 34a_100000738227_100000733510 [0,1,0,1,0,0|2,0,0]=4 26064 B13R1.594 CNC(=O)CCOCCCC1CO1 34a_100000754576_100000733510 [0,1,0,1,0,0|2,0,0]=4 26065 B13R1.594 CNC(=O)CCOCCNC1CC1 34a_100000738766_100012179268 [0,1,0,1,0,0|2,0,0]=4 26066 B13R1.594 CNC(=O)CCSCCCC1CO1 62a_100000733510_100000737683 [0,1,0,1,0,0|2,0,0]=4 26067 B13R1.594 CNC(=O)CCSCCCC1CO1 62a_100000737683_100000733510 [0,1,0,1,0,0|2,0,0]=4 26068 B13R1.594 CNC(=O)NCCNCCC1CC1 34a_100015205895_100000694398 [0,1,0,1,0,0|2,0,0]=4 26069 B13R1.594 CNC(=O)OCCNCCC1CC1 34a_100000764129_200011997002 [0,1,0,1,0,0|2,0,0]=4 26070 B13R1.594 CNC(=O)OCCOCCC1CC1 34a_100000754188_200011997002 [0,1,0,1,0,0|2,0,0]=4 26071 B13R1.594 CNC(=O)OCCOCCC1CC1 7a_100000754188_200011997002 [0,1,0,1,0,0|2,0,0]=4 26072 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_100000764125_200011997002 [0,1,0,1,0,0|2,0,0]=4 26073 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_200011997002_100000764125 [0,1,0,1,0,0|2,0,0]=4 26074 B13R1.594 COC(=O)CCCCCNC1CC1 34a_100000212008_100009816466 [0,1,0,1,0,0|1,0,0]=3 26075 B13R1.594 COC(=O)CCCCCOC1CC1 34a_100000074720_100000211595 [0,1,0,1,0,0|1,0,0]=3 26076 B13R1.594 COC(=O)CCCCCSC1CC1 62a_100009816466_100000211595 [0,1,0,1,0,0|1,0,0]=3 26077 B13R1.594 COC(=O)CCCCNCC1CC1 2230a_100000735609_100000204269 [0,1,0,1,0,0|1,0,0]=3 26078 B13R1.594 COC(=O)CCCCNCC1CC1 34a_100000735609_100000204269 [0,1,0,1,0,0|1,0,0]=3 26079 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000059025_100000742324 [0,1,0,1,0,0|1,0,0]=3 26080 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000211283_100000204269 [0,1,0,1,0,0|1,0,0]=3 26081 B13R1.594 COC(=O)CCCCOCC1CC1 7a_100000059025_100000742324 [0,1,0,1,0,0|1,0,0]=3 26082 B13R1.594 COC(=O)CCCCOCC1CO1 34a_100000059025_102125554688 [0,1,0,1,0,0|2,0,0]=4 26083 B13R1.594 COC(=O)CCCCOCC1CO1 7a_100000059025_102125554688 [0,1,0,1,0,0|2,0,0]=4 26084 B13R1.594 COC(=O)CCCCOCC1CS1 7a_100000059025_100000031435 [0,1,0,1,0,0|2,0,0]=4 26085 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100000204269 [0,1,0,1,0,0|2,0,0]=4 26086 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 7a_100000059025_100000745022 [0,1,0,1,0,0|2,0,0]=4 26087 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000204269_100000742324 [0,1,0,1,0,0|1,0,0]=3 26088 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000756562_100000204269 [0,1,0,1,0,0|1,0,0]=3 26089 B13R1.594 COC(=O)CCCCSCC1CO1 62a_100000204269_102125554688 [0,1,0,1,0,0|2,0,0]=4 26090 B13R1.594 COC(=O)CCCCSCC1CO1 62a_102125554688_100000204269 [0,1,0,1,0,0|2,0,0]=4 26091 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000031435_100000204269 [0,1,0,1,0,0|2,0,0]=4 26092 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000204269_100000031435 [0,1,0,1,0,0|2,0,0]=4 26093 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000204269_100000745022 [0,1,0,1,0,0|2,0,0]=4 26094 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000204269 [0,1,0,1,0,0|2,0,0]=4 26095 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [0,1,0,1,0,0|1,0,0]=3 26096 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [0,1,0,1,0,0|1,0,0]=3 26097 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [0,1,0,1,0,0|1,0,0]=3 26098 B13R1.594 COC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000742333 [0,1,0,1,0,0|2,0,0]=4 26099 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [0,1,0,1,0,0|1,0,0]=3 26100 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [0,1,0,1,0,0|1,0,0]=3 26101 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100000732470_100011218270 [0,1,0,1,0,0|2,0,0]=4 26102 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100011218270_100000732470 [0,1,0,1,0,0|2,0,0]=4 26103 B13R1.594 COC(=O)CCOCCNC1CC1 34a_100000738766_100000742370 [0,1,0,1,0,0|2,0,0]=4 26104 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000204255_100000733510 [0,1,0,1,0,0|2,0,0]=4 26105 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000733510_100000204255 [0,1,0,1,0,0|2,0,0]=4 26106 B13R1.594 COC(=O)COCCNCC1CC1 2230a_100000735609_100000090808 [0,1,0,1,0,0|2,0,0]=4 26107 B13R1.594 COC(=O)COCCNCC1CC1 34a_100000735609_100000090808 [0,1,0,1,0,0|2,0,0]=4 26108 B13R1.594 COC(=O)COCCOCC1CC1 34a_100000211283_100000090808 [0,1,0,1,0,0|2,0,0]=4 26109 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000090808_100000742324 [0,1,0,1,0,0|2,0,0]=4 26110 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000756562_100000090808 [0,1,0,1,0,0|2,0,0]=4 26111 B13R1.594 COC(=O)NCCOCCC1CC1 34a_100000757965_100000694398 [0,1,0,1,0,0|2,0,0]=4 26112 B13R1.594 COC(=O)OCCOCCC1CC1 34a_100010262106_100000694398 [0,1,0,1,0,0|2,0,0]=4 26113 B13R1.594 NNC(=O)CCCOCCC1CC1 34a_100000211488_100000694398 [0,1,0,1,0,0|2,0,0]=4 26114 B13R1.643 C=C(C)COC1CCCC(C1)CC 7a_100011985506_100000748629 [0,1,0,1,0,0|2,0,0]=4 26115 B13R1.643 CC(=O)CCN1CCCC(C1)CF 269982a_100016992999_100000053229 [0,1,0,1,0,0|2,0,0]=4 26116 B13R1.643 CC(=O)CCN1CCCC(C1)CO 269982a_100000211344_100000053229 [0,1,0,1,0,0|2,0,0]=4 26117 B13R1.643 CCC1CCCC(C1)OCC(=O)N 7a_100011985506_100000187820 [0,1,0,1,0,0|2,0,0]=4 26118 B13R1.643 CCC1CN(CCO1)CCC(=O)C 269982a_100000736320_100000053229 [0,1,0,1,0,0|2,0,0]=4 26119 B13R1.643 CCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210202 [0,1,0,1,0,0|2,0,0]=4 26120 B13R1.643 CCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000204670 [0,1,0,1,0,0|2,0,0]=4 26121 B13R1.643 CCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210202 [0,1,0,1,0,0|2,0,0]=4 26122 B13R1.643 CCN1CCCC(C1)CNC(=O)C 1626a_100000747413_100015343762 [0,1,0,1,0,0|2,0,0]=4 26123 B13R1.643 CCN1CCCC(C1)CNC(=O)C 2230a_100011207013_100000210202 [0,1,0,1,0,0|2,0,0]=4 26124 B13R1.643 CCN1CCCC(C1)CNC(=O)C 240690a_100000747413_100015343762 [0,1,0,1,0,0|2,0,0]=4 26125 B13R1.643 CCN1CCCC(C1)CNC(=O)C 269982a_100011207013_100000204670 [0,1,0,1,0,0|2,0,0]=4 26126 B13R1.643 CCN1CCCC(C1)CNC(=O)C 34a_100011207013_100000210202 [0,1,0,1,0,0|2,0,0]=4 26127 B13R1.643 CCN1CCCC(C1)CNC(=O)C 527a_100000747413_100103153847 [0,1,0,1,0,0|2,0,0]=4 26128 B13R1.643 CCN1CCCC(C1)COC(=O)C 2230a_100025751563_100000210202 [0,1,0,1,0,0|2,0,0]=4 26129 B13R1.643 CCN1CCCC(C1)COC(=O)C 269982a_100025751563_100000204670 [0,1,0,1,0,0|2,0,0]=4 26130 B13R1.643 COC1CCCN(C1)CCC(=O)C 269982a_100000695604_100000053229 [0,1,0,1,0,0|2,0,0]=4 26131 B13R1.717 CCC(C)CNCC1CNC(=O)C1 2230a_100016993742_100000748023 [0,1,0,1,0,0|2,0,0]=4 26132 B13R1.717 CCC(C)CNCC1CNC(=O)C1 34a_100016993742_100000748023 [0,1,0,1,0,0|2,0,0]=4 26133 B13R1.717 CCC(C)CNC[C@@H]1CCC(=O)N1 2230a_100020588543_100015189358 [0,1,0,1,0,0|2,0,0]=4 26134 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000748023 [0,1,0,1,0,0|2,0,0]=4 26135 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000243153 [0,1,0,1,0,0|2,0,0]=4 26136 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000748023 [0,1,0,1,0,0|2,0,0]=4 26137 B13R1.717 CCC(C)COCC1CCC(=O)N1 34a_100000737831_100000748023 [0,1,0,1,0,0|2,0,0]=4 26138 B13R1.717 CCC(C)COCC1CNC(=O)C1 34a_100016041077_100000748023 [0,1,0,1,0,0|2,0,0]=4 26139 B13R1.717 CCC(C)CSC[C@@H]1CCC(=O)N1 62a_100000748023_100015189358 [0,1,0,1,0,0|2,0,0]=4 26140 B13R1.717 CCC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000748023 [0,1,0,1,0,0|2,0,0]=4 26141 B13R1.717 CCC(O)CNCC1CNC(=O)C1 2230a_100016993742_100011218378 [0,1,0,1,0,0|2,0,0]=4 26142 B13R1.717 CCC(O)CNCC1CNC(=O)C1 34a_100016993742_100011218378 [0,1,0,1,0,0|2,0,0]=4 26143 B13R1.717 CCC(O)CNC[C@@H]1CCC(=O)N1 2230a_100011218483_100015189358 [0,1,0,1,0,0|2,0,0]=4 26144 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218378 [0,1,0,1,0,0|2,0,0]=4 26145 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011218378 [0,1,0,1,0,0|2,0,0]=4 26146 B13R1.717 CCC(O)COCC1CCC(=O)N1 34a_100000737831_100011218378 [0,1,0,1,0,0|2,0,0]=4 26147 B13R1.717 CCC(O)COCC1CNC(=O)C1 34a_100016041077_100011218378 [0,1,0,1,0,0|2,0,0]=4 26148 B13R1.717 CCC(O)CSC[C@@H]1CCC(=O)N1 62a_100011218378_100015189358 [0,1,0,1,0,0|2,0,0]=4 26149 B13R1.717 CCC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218378 [0,1,0,1,0,0|2,0,0]=4 26150 B13R1.717 CC[C@H](C)CNCC1CNC(=O)C1 2230a_100016993742_100009816398 [0,1,0,1,0,0|2,0,0]=4 26151 B13R1.717 CC[C@H](C)CNCC1CNC(=O)C1 34a_100016993742_100009816398 [0,1,0,1,0,0|2,0,0]=4 26152 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100009816398 [0,1,0,1,0,0|2,0,0]=4 26153 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100009816398 [0,1,0,1,0,0|2,0,0]=4 26154 B13R1.717 CC[C@H](C)COCC1CCC(=O)N1 34a_100000737831_100009816398 [0,1,0,1,0,0|2,0,0]=4 26155 B13R1.717 CC[C@H](C)COCC1CNC(=O)C1 34a_100016041077_100009816398 [0,1,0,1,0,0|2,0,0]=4 26156 B13R1.717 CC[C@H](C)COC[C@@H]1CCC(=O)N1 7a_100009816381_100015189358 [0,1,0,1,0,0|2,0,0]=4 26157 B13R1.717 CC[C@H](C)CSC[C@@H]1CCC(=O)N1 62a_100009816398_100015189358 [0,1,0,1,0,0|2,0,0]=4 26158 B13R1.717 CC[C@H](C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100009816398 [0,1,0,1,0,0|2,0,0]=4 26159 B13R1.785 CC(=O)CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000735457 [0,1,0,1,0,0|1,0,0]=3 26160 B13R1.785 CC(=O)OCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000042594 [0,1,0,1,0,0|2,0,0]=4 26161 B13R1.785 CC(=O)SCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000038929 [0,1,0,1,0,0|2,0,0]=4 26162 B13R1.785 CC(=O)SCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000038929 [0,1,0,1,0,0|2,0,0]=4 26163 B13R1.1067 CC(=O)CCCCOCC1(CC1)C 7a_100000698024_100000735457 [0,1,0,1,0,0|1,0,0]=3 26164 B13R1.1067 CC(=O)CCCCOCC1(CC1)F 34a_200000703853_100009817362 [0,1,0,1,0,0|1,0,0]=3 26165 B13R1.1067 CC(=O)CCCCOCC1(CC1)F 7a_200000703853_100000735457 [0,1,0,1,0,0|1,0,0]=3 26166 B13R1.1067 CC(=O)CCCCSCC1(CO1)C 62a_100000735457_100000760498 [0,1,0,1,0,0|2,0,0]=4 26167 B13R1.1067 CC(=O)CCCCSCC1(CO1)C 62a_100000760498_100000735457 [0,1,0,1,0,0|2,0,0]=4 26168 B13R1.1067 CC(=O)OCCCCOC1(CC1)C 7a_100011725673_100000033659 [0,1,0,1,0,0|2,0,0]=4 26169 B13R1.1067 CC(=O)OCCCOCC1(CC1)C 7a_100000698024_100000042594 [0,1,0,1,0,0|2,0,0]=4 26170 B13R1.1067 CC(=O)OCCCOCC1(CC1)F 34a_200000703853_100000042594 [0,1,0,1,0,0|2,0,0]=4 26171 B13R1.1067 CC(=O)OCCCOCC1(CC1)F 7a_200000703853_100000042594 [0,1,0,1,0,0|2,0,0]=4 26172 B13R1.1067 CC(=O)SCCCCNC1(CC1)C 2230a_100000757604_200010402107 [0,1,0,1,0,0|2,0,0]=4 26173 B13R1.1067 CC(=O)SCCCCOC1(CC1)C 7a_100011725673_200010402107 [0,1,0,1,0,0|2,0,0]=4 26174 B13R1.1067 CC(=O)SCCCNCC1(CC1)C 2230a_100000766693_100000038929 [0,1,0,1,0,0|2,0,0]=4 26175 B13R1.1067 CC(=O)SCCCNCC1(CC1)O 2230a_100011936951_100000038929 [0,1,0,1,0,0|2,0,0]=4 26176 B13R1.1067 CC(=O)SCCCOCC1(CC1)C 7a_100000698024_100000038929 [0,1,0,1,0,0|2,0,0]=4 26177 B13R1.1067 CC(=O)SCCCOCC1(CC1)F 34a_200000703853_100000038929 [0,1,0,1,0,0|2,0,0]=4 26178 B13R1.1067 CC(=O)SCCCOCC1(CC1)F 7a_200000703853_100000038929 [0,1,0,1,0,0|2,0,0]=4 26179 B13R1.1067 CC1(CC1)NCCCCCC(=O)N 2230a_100000757604_100009817443 [0,1,0,1,0,0|2,0,0]=4 26180 B13R1.1067 CC1(CC1)OCCCCCC(=O)N 7a_100011725673_100009817443 [0,1,0,1,0,0|2,0,0]=4 26181 B13R1.1868 CCC(C)CN1CCCNC(=O)C1 2230a_100015190381_100000748023 [0,1,0,1,0,0|2,0,0]=4 26182 B13R1.1868 CCC(C)CN1CCCNC(=O)C1 270004a_100015190381_100000243153 [0,1,0,1,0,0|2,0,0]=4 26183 B13R1.1868 CCC(O)CN1CCCNC(=O)C1 2230a_100015190381_100011218378 [0,1,0,1,0,0|2,0,0]=4 26184 B13R1.1868 CC[C@H](C)CN1CCCNC(=O)C1 2230a_100015190381_100009816398 [0,1,0,1,0,0|2,0,0]=4 26185 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000748023 [0,1,0,1,0,0|2,0,0]=4 26186 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)N 270004a_100000003125_100000243153 [0,1,0,1,0,0|2,0,0]=4 26187 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748023 [0,1,0,1,0,0|2,0,0]=4 26188 B13R1.2880 CCC(O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218378 [0,1,0,1,0,0|2,0,0]=4 26189 B13R1.2880 CCC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218378 [0,1,0,1,0,0|2,0,0]=4 26190 B13R1.2880 CC[C@H](C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100009816398 [0,1,0,1,0,0|2,0,0]=4 26191 B13R1.2880 CC[C@H](C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009816398 [0,1,0,1,0,0|2,0,0]=4 26192 B13R1.3127 CC(=O)CCN1CCC[C@@]1(C)CO 269982a_100016195882_100000053229 [0,1,0,1,0,0|2,0,0]=4 26193 B13R1.3796 C=C(C)CCN1CCCC(CC1)C 2230a_100025706717_100000730704 [0,1,0,1,0,0|2,0,0]=4 26194 B13R1.3796 C=C(C)CCN1CCCC(CC1)C 269982a_100025706717_100000730704 [0,1,0,1,0,0|2,0,0]=4 26195 B13R1.3796 C=C(C)CCN1CCCC(CC1)C 34a_100025706717_100000730704 [0,1,0,1,0,0|2,0,0]=4 26196 B13R1.3796 C=C(C)CCN1CCCC(CC1)O 2230a_100015186869_100000730704 [0,1,0,1,0,0|2,0,0]=4 26197 B13R1.3796 C=C(C)CCN1CCCC(CC1)O 269982a_100015186869_100000730704 [0,1,0,1,0,0|2,0,0]=4 26198 B13R1.3796 CC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000053229 [0,1,0,1,0,0|1,0,0]=3 26199 B13R1.3796 CC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000053229 [0,1,0,1,0,0|1,0,0]=3 26200 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 1458a_200000176891_200000210301 [0,1,0,1,0,0|2,0,0]=4 26201 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 269982a_100000211313_100000053229 [0,1,0,1,0,0|2,0,0]=4 26202 B13R1.3796 CC(=O)OCN1CCCC(CC1)C 269982a_100025706717_100000076356 [0,1,0,1,0,0|2,0,0]=4 26203 B13R1.3796 CC(=O)OCN1CCCC(CC1)C 34a_100025706717_100009813279 [0,1,0,1,0,0|2,0,0]=4 26204 B13R1.3796 CC(=O)OCN1CCCC(CC1)O 269982a_100015186869_100000076356 [0,1,0,1,0,0|2,0,0]=4 26205 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 2230a_100025706717_100000744528 [0,1,0,1,0,0|2,0,0]=4 26206 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 269982a_100025706717_100000744528 [0,1,0,1,0,0|2,0,0]=4 26207 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 34a_100025706717_100000731001 [0,1,0,1,0,0|2,0,0]=4 26208 B13R1.3796 CN1CCCN(CC1)CCC(=O)[13CH3] 1458a_200000176891_200025704644 [0,1,0,1,0,0|2,0,0]=4 26209 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100000744528 [0,1,0,1,0,0|2,0,0]=4 26210 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000744528 [0,1,0,1,0,0|2,0,0]=4 26211 B13R1.23 CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210326 [0,1,0,1,0,0|1,0,1]=4 26212 B13R1.23 CCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210326 [0,1,0,1,0,0|1,0,1]=4 26213 B13R1.23 CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210326 [0,1,0,1,0,0|1,0,1]=4 26214 B13R1.23 CCCCCC(C)N1CNC(=O)C1 2230a_200000708111_200011218191 [0,1,0,1,0,0|2,0,0]=4 26215 B13R1.149 C=C(C)CCNC1CCCC(C1)C 2230a_100011194320_100000730704 [0,1,0,1,0,0|2,0,0]=4 26216 B13R1.149 C=C(C)CCNC1CCCC(C1)C 34a_100011194320_100000730704 [0,1,0,1,0,0|2,0,0]=4 26217 B13R1.149 C=C(C)CCNC1CCCC(C1)O 2230a_100015190357_100000730704 [0,1,0,1,0,0|2,0,0]=4 26218 B13R1.149 C=C(C)CCOC1CCCC(=O)C1 34a_100012613340_100000730704 [0,1,0,1,0,0|1,0,1]=4 26219 B13R1.149 C=C(C)CCOC1CCCC(C1)C 34a_100000211399_100000730704 [0,1,0,1,0,0|2,0,0]=4 26220 B13R1.149 C=C(C)CNCC1CCCC(C1)O 2230a_100011254705_100000748629 [0,1,0,1,0,0|2,0,0]=4 26221 B13R1.149 CC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100011215641 [0,1,0,1,0,0|1,0,0]=3 26222 B13R1.149 CC(=O)CCCN1CCCC(C1)F 34a_100000697950_100000685027 [0,1,0,1,0,0|1,0,0]=3 26223 B13R1.149 CC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100011215641 [0,1,0,1,0,0|1,0,0]=3 26224 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215641 [0,1,0,1,0,0|1,0,0]=3 26225 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 34a_100000717927_100000685027 [0,1,0,1,0,0|1,0,0]=3 26226 B13R1.149 CC(=O)CCCN1CCOC(C1)C 269982a_100000729577_100011215641 [0,1,0,1,0,0|2,0,0]=4 26227 B13R1.149 CC(=O)CCCN1CCOC(C1)C 34a_100000729577_100000685027 [0,1,0,1,0,0|2,0,0]=4 26228 B13R1.149 CC(=O)CCCN1CCOC(C1)O 269982a_100000688207_100011215641 [0,1,0,1,0,0|2,0,0]=4 26229 B13R1.149 CC(=O)CCOC1CCOC(C1)C 7a_100011986385_100000053229 [0,1,0,1,0,0|2,0,0]=4 26230 B13R1.149 CC(=O)COCC1CCCN(C1)C 34a_100000211253_100015183302 [0,1,0,1,0,0|2,0,0]=4 26231 B13R1.149 CC(=O)NCCC1CCCN(C1)C 240690a_100011919708_100015343762 [0,1,0,1,0,0|2,0,0]=4 26232 B13R1.149 CC(=O)NCCN1CCCC(C1)C 240690a_100000739826_100015343762 [0,1,0,1,0,0|2,0,0]=4 26233 B13R1.149 CC(=O)NCCN1CCCC(C1)C 527a_100000739826_100103153847 [0,1,0,1,0,0|2,0,0]=4 26234 B13R1.149 CC(=O)NCCN1CCCC(C1)F 2230a_100000697950_100000189650 [0,1,0,1,0,0|2,0,0]=4 26235 B13R1.149 CC(=O)NCCN1CCCC(C1)F 269982a_100000697950_100000189650 [0,1,0,1,0,0|2,0,0]=4 26236 B13R1.149 CC(=O)NCCN1CCCC(C1)O 2230a_100000211013_100000189650 [0,1,0,1,0,0|2,0,0]=4 26237 B13R1.149 CC(=O)NCCN1CCCC(C1)O 269982a_100000211013_100000189650 [0,1,0,1,0,0|2,0,0]=4 26238 B13R1.149 CC(=O)NCCN1CCC[C@@H](C1)C 2230a_100000717927_100000189650 [0,1,0,1,0,0|2,0,0]=4 26239 B13R1.149 CC(=O)NCCN1CCC[C@@H](C1)C 269982a_100000717927_100000189650 [0,1,0,1,0,0|2,0,0]=4 26240 B13R1.149 CC(=O)OCCN1CCCC(C1)F 269982a_100000697950_100009814007 [0,1,0,1,0,0|2,0,0]=4 26241 B13R1.149 CC(=O)OCCN1CCCC(C1)F 34a_100000697950_100009814007 [0,1,0,1,0,0|2,0,0]=4 26242 B13R1.149 CC(=O)OCCN1CCCC(C1)O 269982a_100000211013_100009814007 [0,1,0,1,0,0|2,0,0]=4 26243 B13R1.149 CC(=O)OCCN1CCC[C@@H](C1)C 269982a_100000717927_100009814007 [0,1,0,1,0,0|2,0,0]=4 26244 B13R1.149 CC(=O)OCCN1CCC[C@@H](C1)C 34a_100000717927_100009814007 [0,1,0,1,0,0|2,0,0]=4 26245 B13R1.149 CC(=O)OCNC1CCCC(C1)C 34a_100011194320_100009813279 [0,1,0,1,0,0|2,0,0]=4 26246 B13R1.149 CC(=O)OCOC1CCCC(C1)C 34a_100000211399_100009813279 [0,1,0,1,0,0|2,0,0]=4 26247 B13R1.149 CC(C)CCCN1CCNC(=O)C1 2230a_100000184651_100011214892 [0,1,0,1,0,0|2,0,0]=4 26248 B13R1.149 CC(C)CCCN1CCOC(=O)C1 2230a_100000131268_100011214892 [0,1,0,1,0,0|2,0,0]=4 26249 B13R1.149 CC(C)CCNC1CCNC(=O)C1 2230a_100016994916_100000210312 [0,1,0,1,0,0|2,0,0]=4 26250 B13R1.149 CC(C)CCNC1CCNC(=O)C1 269862a_100016994916_100000185833 [0,1,0,1,0,0|2,0,0]=4 26251 B13R1.149 CC(C)CCNC1CCNC(=O)C1 34a_100016994916_100000210312 [0,1,0,1,0,0|2,0,0]=4 26252 B13R1.149 CC(C)CCOC1CCCC(=O)C1 34a_100012613340_100000210312 [0,1,0,1,0,0|1,0,0]=3 26253 B13R1.149 CC(C)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210312 [0,1,0,1,0,0|2,0,0]=4 26254 B13R1.149 CC(C)COCC1CCCC(=O)N1 34a_200000102386_100000210624 [0,1,0,1,0,0|2,0,0]=4 26255 B13R1.149 CC(C)COCC1CCNC(=O)C1 34a_100009886756_100000210624 [0,1,0,1,0,0|2,0,0]=4 26256 B13R1.149 CC(C)OCOC1CCCC(=O)C1 34a_100012613340_100000709892 [0,1,0,1,0,0|2,0,0]=4 26257 B13R1.149 CC(O)CCCN1CCNC(=O)C1 2230a_100000184651_200000718107 [0,1,0,1,0,0|2,0,0]=4 26258 B13R1.149 CC(O)CCCN1CCOC(=O)C1 2230a_100000131268_200000718107 [0,1,0,1,0,0|2,0,0]=4 26259 B13R1.149 CC(O)CCNC1CCNC(=O)C1 2230a_100016994916_100012276601 [0,1,0,1,0,0|2,0,0]=4 26260 B13R1.149 CC(O)CCNC1CCNC(=O)C1 34a_100016994916_100012276601 [0,1,0,1,0,0|2,0,0]=4 26261 B13R1.149 CC(O)CCOC1CCCC(=O)C1 34a_100012613340_100012276601 [0,1,0,1,0,0|1,0,0]=3 26262 B13R1.149 CC(O)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012276601 [0,1,0,1,0,0|2,0,0]=4 26263 B13R1.149 CC(O)COCC1CCCC(=O)N1 34a_200000102386_100011218427 [0,1,0,1,0,0|2,0,0]=4 26264 B13R1.149 CC(O)COCC1CCNC(=O)C1 34a_100009886756_100011218427 [0,1,0,1,0,0|2,0,0]=4 26265 B13R1.149 CC1=CC(CCC1)OCCC(C)C 34a_100011218613_100000210312 [0,1,0,1,0,0|2,0,0]=4 26266 B13R1.149 CC1=CC(CCC1)OCCC(C)O 34a_100011218613_100012276601 [0,1,0,1,0,0|2,0,0]=4 26267 B13R1.149 CC1CCCC(C1)NCCC(=O)N 2230a_100011194320_100000744528 [0,1,0,1,0,0|2,0,0]=4 26268 B13R1.149 CC1CCCC(C1)NCCC(=O)N 34a_100011194320_100000731001 [0,1,0,1,0,0|2,0,0]=4 26269 B13R1.149 CC1CCCC(C1)OCCC(=O)N 34a_100000211399_100000731001 [0,1,0,1,0,0|2,0,0]=4 26270 B13R1.149 C[C@@H](O)COCC1CCCC(=O)N1 34a_200000102386_100009817552 [0,1,0,1,0,0|2,0,0]=4 26271 B13R1.149 C[C@@H](O)COCC1CCNC(=O)C1 34a_100009886756_100009817552 [0,1,0,1,0,0|2,0,0]=4 26272 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 269982a_100000717927_100102525003 [0,1,0,1,0,0|2,0,0]=4 26273 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 34a_100000717927_100102525003 [0,1,0,1,0,0|2,0,0]=4 26274 B13R1.149 NC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100102525003 [0,1,0,1,0,0|2,0,0]=4 26275 B13R1.149 NC(=O)CCCN1CCCC(C1)F 34a_100000697950_100102525003 [0,1,0,1,0,0|2,0,0]=4 26276 B13R1.149 NC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100102525003 [0,1,0,1,0,0|2,0,0]=4 26277 B13R1.149 NC(=O)CCNC1CCCC(C1)O 2230a_100015190357_100000744528 [0,1,0,1,0,0|2,0,0]=4 26278 B13R1.149 NC(=O)CNCC1CCCC(C1)O 2230a_100011254705_100000747473 [0,1,0,1,0,0|2,0,0]=4 26279 B13R1.232 CCOC1CN(C1)CCCC(=O)C 269982a_100000732654_100011215641 [0,1,0,1,0,0|2,0,0]=4 26280 B13R1.232 CCOC1CN(C1)CCCC(=O)C 34a_100000732654_100000685027 [0,1,0,1,0,0|2,0,0]=4 26281 B13R1.232 COCC1CN(C1)CCCC(=O)C 269982a_100016993750_100011215641 [0,1,0,1,0,0|2,0,0]=4 26282 B13R1.232 COCC1CN(C1)CCCC(=O)C 34a_100016993750_100000685027 [0,1,0,1,0,0|2,0,0]=4 26283 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,1,0,1,0,0|1,0,1]=4 26284 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,1,0,1,0,0|1,0,1]=4 26285 B13R1.342 C=C(C)CCNC(C)C1CCCC1 2230a_100015185923_100000730704 [0,1,0,1,0,0|2,0,0]=4 26286 B13R1.342 C=C(C)CCNC(C)C1CCCC1 34a_100015185923_100000730704 [0,1,0,1,0,0|2,0,0]=4 26287 B13R1.342 C=C(C)CCOC(C)C1CCCC1 34a_100011216366_100000730704 [0,1,0,1,0,0|2,0,0]=4 26288 B13R1.342 C=C(C)CCOC(C)C1CCCC1 7a_100011216366_100000730704 [0,1,0,1,0,0|2,0,0]=4 26289 B13R1.342 CC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215641 [0,1,0,1,0,0|0,0,1]=3 26290 B13R1.342 CC(=O)CCCC(=O)C1CCCS1 1458a_100012002731_100011215641 [0,1,0,1,0,0|1,0,1]=4 26291 B13R1.342 CC(=O)CCCC(=O)C1CCOC1 1458a_100011219752_100011215641 [0,1,0,1,0,0|1,0,1]=4 26292 B13R1.342 CC(=O)CCCC(=O)N1CCCC1 1458a_100000199733_200000210301 [0,1,0,1,0,0|1,0,1]=4 26293 B13R1.342 CC(=O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215641 [0,1,0,1,0,0|1,0,1]=4 26294 B13R1.342 CC(=O)CCCN(C)C1CCCC1 269982a_100000207505_100011215641 [0,1,0,1,0,0|1,0,0]=3 26295 B13R1.342 CC(=O)CCCN(C)C1CCCC1 34a_100000207505_100000685027 [0,1,0,1,0,0|1,0,0]=3 26296 B13R1.342 CC(=O)CCCN(C)C1CCOC1 269982a_100016988252_100011215641 [0,1,0,1,0,0|2,0,0]=4 26297 B13R1.342 CC(=O)CCCN(C)C1CCOC1 34a_100016988252_100000685027 [0,1,0,1,0,0|2,0,0]=4 26298 B13R1.342 CC(=O)CCOC(C)C1CCCC1 7a_100011216366_100000053229 [0,1,0,1,0,0|1,0,0]=3 26299 B13R1.342 CC(=O)NCCC(=O)C1CCCC1 1458a_100000183196_100000179811 [0,1,0,1,0,0|1,0,1]=4 26300 B13R1.342 CC(=O)NCCC(=O)C1CCCC1 1458a_100000210718_100000189650 [0,1,0,1,0,0|1,0,1]=4 26301 B13R1.342 CC(=O)NCCC(C)N1CCCC1 1626a_100011369354_100015343762 [0,1,0,1,0,0|2,0,0]=4 26302 B13R1.342 CC(=O)NCCC(C)N1CCCC1 240690a_100011369354_100015343762 [0,1,0,1,0,0|2,0,0]=4 26303 B13R1.342 CC(=O)NCCC(C)N1CCCC1 527a_100011369354_100103153847 [0,1,0,1,0,0|2,0,0]=4 26304 B13R1.342 CC(=O)NCCN(C)C1CCCC1 2230a_100000207505_100000189650 [0,1,0,1,0,0|2,0,0]=4 26305 B13R1.342 CC(=O)NCCN(C)C1CCCC1 269982a_100000207505_100000189650 [0,1,0,1,0,0|2,0,0]=4 26306 B13R1.342 CC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_100009814007 [0,1,0,1,0,0|1,0,1]=4 26307 B13R1.342 CC(=O)OCCN(C)C1CCCC1 269982a_100000207505_100009814007 [0,1,0,1,0,0|2,0,0]=4 26308 B13R1.342 CC(=O)OCCN(C)C1CCCC1 34a_100000207505_100009814007 [0,1,0,1,0,0|2,0,0]=4 26309 B13R1.342 CC(=O)OCNC(C)C1CCCC1 34a_100015185923_100009813279 [0,1,0,1,0,0|2,0,0]=4 26310 B13R1.342 CC(=O)OCOC(C)C1CCCC1 34a_100011216366_100009813279 [0,1,0,1,0,0|2,0,0]=4 26311 B13R1.342 CC(=O)SCCC(=O)C1CCCC1 1458a_100000048949_100000179811 [0,1,0,1,0,0|1,0,1]=4 26312 B13R1.342 CC(NCCC(=O)N)C1CCCC1 2230a_100015185923_100000744528 [0,1,0,1,0,0|2,0,0]=4 26313 B13R1.342 CC(NCCC(=O)N)C1CCCC1 269862a_100000740010_100000749594 [0,1,0,1,0,0|2,0,0]=4 26314 B13R1.342 CC(NCCC(=O)N)C1CCCC1 34a_100015185923_100000731001 [0,1,0,1,0,0|2,0,0]=4 26315 B13R1.342 CC(OCCC(=O)N)C1CCCC1 34a_100011216366_100000731001 [0,1,0,1,0,0|2,0,0]=4 26316 B13R1.342 CC(OCCC(=O)N)C1CCCC1 7a_100011216366_100000744528 [0,1,0,1,0,0|2,0,0]=4 26317 B13R1.342 CN(CCCC(=O)N)C1CCCC1 269982a_100000207505_100102525003 [0,1,0,1,0,0|2,0,0]=4 26318 B13R1.342 CN(CCCC(=O)N)C1CCCC1 34a_100000207505_100102525003 [0,1,0,1,0,0|2,0,0]=4 26319 B13R1.342 CN(CCCC(=O)O)C1CCCC1 269956a_100000719178_100000179811 [0,1,0,1,0,0|2,0,0]=4 26320 B13R1.342 NC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100102525003 [0,1,0,1,0,0|1,0,1]=4 26321 B13R1.342 [13CH3]C(=O)CCCC(=O)N1CCCC1 1458a_100000199733_200025704644 [0,1,0,1,0,0|1,0,1]=4 26322 B13R1.356 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC)C 34a_100016197468_100000210202 [0,1,0,1,0,0|2,0,0]=4 26323 B13R1.356 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC)C 7a_100016197468_100000210202 [0,1,0,1,0,0|2,0,0]=4 26324 B13R1.356 CCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210207 [0,1,0,1,0,0|2,0,0]=4 26325 B13R1.658 CCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210326 [0,1,0,1,0,0|2,0,0]=4 26326 B13R1.658 CCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210215 [0,1,0,1,0,0|2,0,0]=4 26327 B13R1.658 CCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000718602 [0,1,0,1,0,0|2,0,0]=4 26328 B13R1.658 CCCCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210211 [0,1,0,1,0,0|2,0,0]=4 26329 B13R1.658 CCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210211 [0,1,0,1,0,0|2,0,0]=4 26330 B13R1.658 CCCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210211 [0,1,0,1,0,0|2,0,0]=4 26331 B13R1.658 CCCOCC1CCN(C1)C(=O)C 11a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 26332 B13R1.658 CCCOCC1CCN(C1)C(=O)C 1626a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 26333 B13R1.658 CCCOCC1CCN(C1)C(=O)C 240690a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 26334 B13R1.658 CCCOCC1CCN(C1)C(=O)C 527a_200011652792_100103153847 [0,1,0,1,0,0|2,0,0]=4 26335 B13R1.727 C=C1CC(C1)NC(C)CCCCC 2230a_100132301982_200011218191 [0,1,0,1,0,0|2,0,0]=4 26336 B13R1.727 C=C1CC(C1)NC(C)CCCCC 270004a_100132301982_100000211708 [0,1,0,1,0,0|2,0,0]=4 26337 B13R1.727 CCCCCC(=O)CC1CC(=O)C1 1458a_100000212188_100009874392 [0,1,0,1,0,0|0,0,1]=3 26338 B13R1.727 CCCCCC(C)SC1CC(=O)C1 62a_100009894365_200011218191 [0,1,0,1,0,0|1,0,0]=3 26339 B13R1.727 CCCCCN(C)CC1CC(=O)C1 2230a_100000223495_100009874392 [0,1,0,1,0,0|1,0,0]=3 26340 B13R1.727 CCCCCN(C)CC1CC(=O)C1 269982a_100000223495_100009874392 [0,1,0,1,0,0|1,0,0]=3 26341 B13R1.727 CCCOCC(=O)CC1CC(=O)C1 1458a_100000745993_100009874392 [0,1,0,1,0,0|1,0,1]=4 26342 B13R1.727 CCCSCC(=O)CC1CC(=O)C1 1458a_100000217233_100009874392 [0,1,0,1,0,0|1,0,1]=4 26343 B13R1.727 CCOCCC(=O)CC1CC(=O)C1 1458a_100000749530_100009874392 [0,1,0,1,0,0|1,0,1]=4 26344 B13R1.727 CCSCCC(=O)CC1CC(=O)C1 1458a_100000230768_100009874392 [0,1,0,1,0,0|1,0,1]=4 26345 B13R1.727 CN(CCCCO)CC1CC(=O)C1 2230a_100000717598_100009874392 [0,1,0,1,0,0|2,0,0]=4 26346 B13R1.727 CN(CCCCO)CC1CC(=O)C1 269982a_100000717598_100009874392 [0,1,0,1,0,0|2,0,0]=4 26347 B13R1.727 COCCCC(=O)CC1CC(=O)C1 1458a_100000741012_100009874392 [0,1,0,1,0,0|1,0,1]=4 26348 B13R1.727 COCCCN(C)CC1CC(=O)C1 2230a_100000224831_100009874392 [0,1,0,1,0,0|2,0,0]=4 26349 B13R1.727 COCCCN(C)CC1CC(=O)C1 269982a_100000224831_100009874392 [0,1,0,1,0,0|2,0,0]=4 26350 B13R1.727 CSCCCC(=O)CC1CC(=O)C1 1458a_100000173376_100009874392 [0,1,0,1,0,0|1,0,1]=4 26351 B13R1.727 O=C(CCCCO)CC1CC(=O)C1 1458a_100000695505_100009874392 [0,1,0,1,0,0|1,0,1]=4 26352 B13R1.1047 CC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215641 [0,1,0,1,0,0|0,0,1]=3 26353 B13R1.1047 CC(=O)CCCC(=O)CC1COC1 1458a_100000687760_100011215641 [0,1,0,1,0,0|1,0,1]=4 26354 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 269982a_200000750244_100011215641 [0,1,0,1,0,0|1,0,0]=3 26355 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 34a_200000750244_100000685027 [0,1,0,1,0,0|1,0,0]=3 26356 B13R1.1047 CC(=O)NCCC(=O)CC1CCC1 1458a_100000183196_100000763275 [0,1,0,1,0,0|1,0,1]=4 26357 B13R1.1047 CC(=O)NCCC(=O)CC1CCC1 1458a_100000763092_100000189650 [0,1,0,1,0,0|1,0,1]=4 26358 B13R1.1047 CC(=O)NCCN(C)CC1CCC1 2230a_200000750244_100000189650 [0,1,0,1,0,0|2,0,0]=4 26359 B13R1.1047 CC(=O)NCCN(C)CC1CCC1 269982a_200000750244_100000189650 [0,1,0,1,0,0|2,0,0]=4 26360 B13R1.1047 CC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_100009814007 [0,1,0,1,0,0|1,0,1]=4 26361 B13R1.1047 CC(=O)OCCN(C)CC1CCC1 269982a_200000750244_100009814007 [0,1,0,1,0,0|2,0,0]=4 26362 B13R1.1047 CC(=O)OCCN(C)CC1CCC1 34a_200000750244_100009814007 [0,1,0,1,0,0|2,0,0]=4 26363 B13R1.1047 CC(=O)SCCC(=O)CC1CCC1 1458a_100000048949_100000763275 [0,1,0,1,0,0|1,0,1]=4 26364 B13R1.1047 CN(CCCC(=O)N)CC1CCC1 269982a_200000750244_100102525003 [0,1,0,1,0,0|2,0,0]=4 26365 B13R1.1047 CN(CCCC(=O)N)CC1CCC1 34a_200000750244_100102525003 [0,1,0,1,0,0|2,0,0]=4 26366 B13R1.1047 CN(CCCC(=O)O)CC1CCC1 269956a_100000719178_100000763275 [0,1,0,1,0,0|2,0,0]=4 26367 B13R1.1047 NC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100102525003 [0,1,0,1,0,0|1,0,1]=4 26368 B13R1.1048 CC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215641 [0,1,0,1,0,0|0,0,1]=3 26369 B13R1.1048 CC(=O)NCCC(=O)CCC1CC1 1458a_100000183196_100000694398 [0,1,0,1,0,0|1,0,1]=4 26370 B13R1.1048 CC(=O)NCCC(=O)CCC1CC1 1458a_100000756386_100000189650 [0,1,0,1,0,0|1,0,1]=4 26371 B13R1.1048 CC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_100009814007 [0,1,0,1,0,0|1,0,1]=4 26372 B13R1.1048 CC(=O)SCCC(=O)CCC1CC1 1458a_100000048949_100000694398 [0,1,0,1,0,0|1,0,1]=4 26373 B13R1.1048 CC(CCCC(=O)[O-])OCC1CC1 7a_100000761597_100000742324 [0,1,0,1,0,0|2,0,0]=4 26374 B13R1.1048 CN(CCCC(=O)O)CCC1CC1 269956a_100000719178_100000694398 [0,1,0,1,0,0|2,0,0]=4 26375 B13R1.1048 NC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100102525003 [0,1,0,1,0,0|1,0,1]=4 26376 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [0,1,0,1,0,0|2,0,0]=4 26377 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [0,1,0,1,0,0|2,0,0]=4 26378 B13R1.1988 C=C(Br)CCOC1CCCCCC1 34a_100009813270_100011217769 [0,1,0,1,0,0|1,0,1]=4 26379 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [0,1,0,1,0,0|1,0,0]=3 26380 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [0,1,0,1,0,0|1,0,0]=3 26381 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [0,1,0,1,0,0|1,0,0]=3 26382 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [0,1,0,1,0,0|1,0,0]=3 26383 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [0,1,0,1,0,0|1,0,0]=3 26384 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [0,1,0,1,0,0|1,0,0]=3 26385 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [0,1,0,1,0,0|1,0,0]=3 26386 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [0,1,0,1,0,0|1,0,0]=3 26387 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [0,1,0,1,0,0|1,0,0]=3 26388 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [0,1,0,1,0,0|1,0,0]=3 26389 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [0,1,0,1,0,0|1,0,0]=3 26390 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [0,1,0,1,0,0|1,0,0]=3 26391 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [0,1,0,1,0,0|1,0,0]=3 26392 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [0,1,0,1,0,0|1,0,0]=3 26393 B13R1.1988 C=C(F)CNCC1CCCCCC1 2230a_100015204231_100009893438 [0,1,0,1,0,0|1,0,1]=4 26394 B13R1.1988 C=C(F)CNCC1CCCCCC1 34a_100015204231_100009893438 [0,1,0,1,0,0|1,0,1]=4 26395 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_100000699130_100009893438 [0,1,0,1,0,0|1,0,1]=4 26396 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_200010262243_200000696569 [0,1,0,1,0,0|1,0,1]=4 26397 B13R1.1988 C=C(F)COCC1CCCCCC1 7a_100000699130_100000042424 [0,1,0,1,0,0|1,0,1]=4 26398 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_100000042424_200000696569 [0,1,0,1,0,0|1,0,1]=4 26399 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_200000696569_100000042424 [0,1,0,1,0,0|1,0,1]=4 26400 B13R1.1988 CC(=CCCN1CCCCCC1)C 2230a_100000185865_100011217483 [0,1,0,1,0,0|1,0,1]=4 26401 B13R1.1988 CC(=CCCN1CCCCCC1)C 269982a_100000185865_100011217483 [0,1,0,1,0,0|1,0,1]=4 26402 B13R1.1988 CC(=CCCN1CCCCCC1)C 34a_100000185865_100011217483 [0,1,0,1,0,0|1,0,1]=4 26403 B13R1.1988 CC(=CCNC1CCCCCC1)C 2230a_100000210984_100000761012 [0,1,0,1,0,0|1,0,1]=4 26404 B13R1.1988 CC(=CCNC1CCCCCC1)C 270004a_100000718196_100000210131 [0,1,0,1,0,0|1,0,1]=4 26405 B13R1.1988 CC(=CCNC1CCCCCC1)C 34a_100000210984_100000761012 [0,1,0,1,0,0|1,0,1]=4 26406 B13R1.1988 CC(=CCNC1CCCCCC1)C 34a_100000718196_100011217769 [0,1,0,1,0,0|1,0,1]=4 26407 B13R1.1988 CC(=CCOC1CCCCCC1)C 34a_100000210887_100000761012 [0,1,0,1,0,0|1,0,1]=4 26408 B13R1.1988 CC(=CCOC1CCCCCC1)C 34a_100000753907_100011217769 [0,1,0,1,0,0|1,0,1]=4 26409 B13R1.1988 CC(=CCOC1CCCCCC1)C 7a_100000210887_100000761012 [0,1,0,1,0,0|1,0,1]=4 26410 B13R1.1988 CC(=CCSC1CCCCCC1)C 62a_100000761012_100011217769 [0,1,0,1,0,0|1,0,1]=4 26411 B13R1.1988 CC(=CCSC1CCCCCC1)C 62a_100011217769_100000761012 [0,1,0,1,0,0|1,0,1]=4 26412 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,1,0,1,0,0|0,0,0]=2 26413 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,1,0,1,0,0|0,0,0]=2 26414 B13R1.1988 CC(=O)CCCN1CCCOCC1 269982a_100000685342_100011215641 [0,1,0,1,0,0|1,0,0]=3 26415 B13R1.1988 CC(=O)CCCN1CCCOCC1 34a_100000685342_100000685027 [0,1,0,1,0,0|1,0,0]=3 26416 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [0,1,0,1,0,0|0,0,0]=2 26417 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [0,1,0,1,0,0|0,0,0]=2 26418 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [0,1,0,1,0,0|0,0,0]=2 26419 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [0,1,0,1,0,0|0,0,0]=2 26420 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,1,0,1,0,0|0,0,0]=2 26421 B13R1.1988 CC(=O)CON=C1CCCCCC1 1458a_100011946284_200000210301 [0,1,0,1,0,0|1,0,1]=4 26422 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,1,0,1,0,0|0,0,0]=2 26423 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,1,0,1,0,0|0,0,0]=2 26424 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,1,0,1,0,0|0,0,0]=2 26425 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,1,0,1,0,0|0,0,0]=2 26426 B13R1.1988 CC(=O)NCCN1CCCCCC1 11a_100000738142_100015343762 [0,1,0,1,0,0|1,0,0]=3 26427 B13R1.1988 CC(=O)NCCN1CCCCCC1 2230a_100000185865_100000189650 [0,1,0,1,0,0|1,0,0]=3 26428 B13R1.1988 CC(=O)NCCN1CCCCCC1 240690a_100000738142_100015343762 [0,1,0,1,0,0|1,0,0]=3 26429 B13R1.1988 CC(=O)NCCN1CCCCCC1 269982a_100000185865_100000189650 [0,1,0,1,0,0|1,0,0]=3 26430 B13R1.1988 CC(=O)NCCN1CCCCCC1 527a_100000738142_100103153847 [0,1,0,1,0,0|1,0,0]=3 26431 B13R1.1988 CC(=O)NCCN1CCCOCC1 2230a_100000685342_100000189650 [0,1,0,1,0,0|2,0,0]=4 26432 B13R1.1988 CC(=O)NCCN1CCCOCC1 269982a_100000685342_100000189650 [0,1,0,1,0,0|2,0,0]=4 26433 B13R1.1988 CC(=O)NN=CC1CCCCCC1 4a_100000189765_200000763224 [0,1,0,1,0,0|1,0,1]=4 26434 B13R1.1988 CC(=O)OCCN1CCCCCC1 269982a_100000185865_100009814007 [0,1,0,1,0,0|1,0,0]=3 26435 B13R1.1988 CC(=O)OCCN1CCCCCC1 34a_100000185865_100009814007 [0,1,0,1,0,0|1,0,0]=3 26436 B13R1.1988 CC(=O)OCCN1CCCOCC1 269982a_100000685342_100009814007 [0,1,0,1,0,0|2,0,0]=4 26437 B13R1.1988 CC(=O)OCCN1CCCOCC1 34a_100000685342_100009814007 [0,1,0,1,0,0|2,0,0]=4 26438 B13R1.1988 CC(=O)OCNC1CCCCCC1 34a_100000210984_100009813279 [0,1,0,1,0,0|1,0,0]=3 26439 B13R1.1988 CC(=O)OCOC1CCCCCC1 34a_100000210887_100009813279 [0,1,0,1,0,0|1,0,0]=3 26440 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100000076356_100011217769 [0,1,0,1,0,0|1,0,0]=3 26441 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100011217769_100000076356 [0,1,0,1,0,0|1,0,0]=3 26442 B13R1.1988 CC(Br)CCOC1CCCCCC1 34a_100009893172_100011217769 [0,1,0,1,0,0|1,0,1]=4 26443 B13R1.1988 CC(Br)COCC1CCCCCC1 34a_100012180447_200000696569 [0,1,0,1,0,0|1,0,1]=4 26444 B13R1.1988 CC(C)CCCN1CCCCCC1 2230a_100000185865_100011214892 [0,1,0,1,0,0|1,0,1]=4 26445 B13R1.1988 CC(C)CCCN1CCCCCC1 269982a_100000185865_100011214892 [0,1,0,1,0,0|1,0,1]=4 26446 B13R1.1988 CC(C)CCCN1CCCCCC1 34a_100000185865_100011214892 [0,1,0,1,0,0|1,0,1]=4 26447 B13R1.1988 CC(C)CCNC1CCCCCC1 2230a_100000210984_100000210312 [0,1,0,1,0,0|1,0,1]=4 26448 B13R1.1988 CC(C)CCNC1CCCCCC1 269862a_100000210984_100000185833 [0,1,0,1,0,0|1,0,1]=4 26449 B13R1.1988 CC(C)CCNC1CCCCCC1 270004a_100000210545_100000210131 [0,1,0,1,0,0|1,0,1]=4 26450 B13R1.1988 CC(C)CCNC1CCCCCC1 34a_100000210984_100000210312 [0,1,0,1,0,0|1,0,1]=4 26451 B13R1.1988 CC(C)CCOC1CCCCCC1 34a_100000210254_100011217769 [0,1,0,1,0,0|1,0,1]=4 26452 B13R1.1988 CC(C)CCOC1CCCCCC1 34a_100000210887_100000210312 [0,1,0,1,0,0|1,0,1]=4 26453 B13R1.1988 CC(C)CCOC1CCCCCC1 7a_100000210887_100000210626 [0,1,0,1,0,0|1,0,1]=4 26454 B13R1.1988 CC(C)CCSC1CCCCCC1 62a_100000210312_100011217769 [0,1,0,1,0,0|1,0,1]=4 26455 B13R1.1988 CC(C)CCSC1CCCCCC1 62a_100011217769_100000210312 [0,1,0,1,0,0|1,0,1]=4 26456 B13R1.1988 CC(C)CNCC1CCCCCC1 2230a_100000210953_200000696569 [0,1,0,1,0,0|1,0,1]=4 26457 B13R1.1988 CC(C)CNCC1CCCCCC1 2230a_100015204231_100000210760 [0,1,0,1,0,0|1,0,1]=4 26458 B13R1.1988 CC(C)CNCC1CCCCCC1 269862a_100000210953_200000763224 [0,1,0,1,0,0|1,0,1]=4 26459 B13R1.1988 CC(C)CNCC1CCCCCC1 270004a_100015204231_100000210432 [0,1,0,1,0,0|1,0,1]=4 26460 B13R1.1988 CC(C)CNCC1CCCCCC1 34a_100000210953_200000696569 [0,1,0,1,0,0|1,0,1]=4 26461 B13R1.1988 CC(C)CNCC1CCCCCC1 34a_100015204231_100000210624 [0,1,0,1,0,0|1,0,1]=4 26462 B13R1.1988 CC(C)COCC1CCCCCC1 34a_100000210257_200000696569 [0,1,0,1,0,0|1,0,1]=4 26463 B13R1.1988 CC(C)COCC1CCCCCC1 34a_100000699130_100000210624 [0,1,0,1,0,0|1,0,1]=4 26464 B13R1.1988 CC(C)COCC1CCCCCC1 7a_100000699130_100000210760 [0,1,0,1,0,0|1,0,1]=4 26465 B13R1.1988 CC(C)CSCC1CCCCCC1 62a_100000210624_200000696569 [0,1,0,1,0,0|1,0,1]=4 26466 B13R1.1988 CC(C)CSCC1CCCCCC1 62a_200000696569_100000210760 [0,1,0,1,0,0|1,0,1]=4 26467 B13R1.1988 CC(C)NCCC1CCCCCC1 2230a_100011532351_100000210206 [0,1,0,1,0,0|1,0,1]=4 26468 B13R1.1988 CC(C)NCCC1CCCCCC1 34a_100011532351_100000210206 [0,1,0,1,0,0|1,0,1]=4 26469 B13R1.1988 CC(F)COCC1CCCCCC1 34a_100015925927_200000696569 [0,1,0,1,0,0|1,0,1]=4 26470 B13R1.1988 CC(O)CCCN1CCCCCC1 2230a_100000185865_200000718107 [0,1,0,1,0,0|0,0,2]=4 26471 B13R1.1988 CC(O)CCCN1CCCCCC1 269982a_100000185865_200000718107 [0,1,0,1,0,0|0,0,2]=4 26472 B13R1.1988 CC(O)CCCN1CCCCCC1 34a_100000185865_200000718107 [0,1,0,1,0,0|0,0,2]=4 26473 B13R1.1988 CC(O)CCNC1CCCCCC1 2230a_100000210984_100012276601 [0,1,0,1,0,0|0,0,2]=4 26474 B13R1.1988 CC(O)CCNC1CCCCCC1 270004a_200000755665_100000210131 [0,1,0,1,0,0|0,0,2]=4 26475 B13R1.1988 CC(O)CCNC1CCCCCC1 34a_100000210984_100012276601 [0,1,0,1,0,0|0,0,2]=4 26476 B13R1.1988 CC(O)CCOC1CCCCCC1 34a_100000210887_100012276601 [0,1,0,1,0,0|0,0,2]=4 26477 B13R1.1988 CC(O)CCOC1CCCCCC1 7a_100000210887_100012276601 [0,1,0,1,0,0|0,0,2]=4 26478 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100011217769_100012276601 [0,1,0,1,0,0|0,0,2]=4 26479 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100012276601_100011217769 [0,1,0,1,0,0|0,0,2]=4 26480 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100000210904_200000696569 [0,1,0,1,0,0|0,0,2]=4 26481 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100015204231_100011218427 [0,1,0,1,0,0|0,0,2]=4 26482 B13R1.1988 CC(O)CNCC1CCCCCC1 269862a_100000210904_200000763224 [0,1,0,1,0,0|0,0,2]=4 26483 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100000210904_200000696569 [0,1,0,1,0,0|0,0,2]=4 26484 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100015204231_100011218427 [0,1,0,1,0,0|0,0,2]=4 26485 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [0,1,0,1,0,0|0,0,2]=4 26486 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [0,1,0,1,0,0|0,0,2]=4 26487 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_100011218427_200000696569 [0,1,0,1,0,0|0,0,2]=4 26488 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_200000696569_100011218427 [0,1,0,1,0,0|0,0,2]=4 26489 B13R1.1988 CN(C)CCCN1CCCCCC1 269982a_100000185865_100000757444 [0,1,0,1,0,0|2,0,0]=4 26490 B13R1.1988 CN(C)CCCN1CCCCCC1 269982a_200000231118_200000210301 [0,1,0,1,0,0|2,0,0]=4 26491 B13R1.1988 CN(C)CCNC1CCCCCC1 270004a_100000210585_100000210131 [0,1,0,1,0,0|2,0,0]=4 26492 B13R1.1988 CN(C)CCOC1CCCCCC1 7a_100000210887_100000755713 [0,1,0,1,0,0|2,0,0]=4 26493 B13R1.1988 CN(C)CCSC1CCCCCC1 62a_100011217769_100000755713 [0,1,0,1,0,0|2,0,0]=4 26494 B13R1.1988 CN([13CH3])CCCN1CCCCCC1 269982a_200000231118_200025704644 [0,1,0,1,0,0|2,0,0]=4 26495 B13R1.1988 C[C@@H](Cl)COCC1CCCCCC1 34a_100016084084_200000696569 [0,1,0,1,0,0|1,0,1]=4 26496 B13R1.1988 C[C@@H](N)CCOC1CCCCCC1 34a_100000706166_100011217769 [0,1,0,1,0,0|1,0,1]=4 26497 B13R1.1988 C[C@@H](N)COCC1CCCCCC1 34a_100000737577_200000696569 [0,1,0,1,0,0|1,0,1]=4 26498 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 2230a_100015204231_100009817552 [0,1,0,1,0,0|0,0,2]=4 26499 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 34a_100015204231_100009817552 [0,1,0,1,0,0|0,0,2]=4 26500 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [0,1,0,1,0,0|0,0,2]=4 26501 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [0,1,0,1,0,0|0,0,2]=4 26502 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_100009817552_200000696569 [0,1,0,1,0,0|0,0,2]=4 26503 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_200000696569_100009817552 [0,1,0,1,0,0|0,0,2]=4 26504 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,1,0,1,0,0|1,0,0]=3 26505 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,1,0,1,0,0|1,0,0]=3 26506 B13R1.1988 NC(=O)CCCN1CCCOCC1 269982a_100000685342_100102525003 [0,1,0,1,0,0|2,0,0]=4 26507 B13R1.1988 NC(=O)CCCN1CCCOCC1 34a_100000685342_100102525003 [0,1,0,1,0,0|2,0,0]=4 26508 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [0,1,0,1,0,0|1,0,0]=3 26509 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [0,1,0,1,0,0|1,0,0]=3 26510 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [0,1,0,1,0,0|1,0,0]=3 26511 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [0,1,0,1,0,0|1,0,0]=3 26512 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [0,1,0,1,0,0|1,0,0]=3 26513 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [0,1,0,1,0,0|1,0,0]=3 26514 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [0,1,0,1,0,0|1,0,0]=3 26515 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,1,0,1,0,0|1,0,0]=3 26516 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,1,0,1,0,0|1,0,0]=3 26517 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,1,0,1,0,0|1,0,0]=3 26518 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,1,0,1,0,0|1,0,0]=3 26519 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,1,0,1,0,0|1,0,0]=3 26520 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,1,0,1,0,0|1,0,0]=3 26521 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,1,0,1,0,0|1,0,0]=3 26522 B13R1.1988 NC(=O)NCCN1CCCCCC1 2230a_100000185865_200000034859 [0,1,0,1,0,0|2,0,0]=4 26523 B13R1.1988 NC(=O)NCCN1CCCCCC1 269982a_100000185865_200000034859 [0,1,0,1,0,0|2,0,0]=4 26524 B13R1.1988 NC(=O)OCCN1CCCCCC1 269982a_100000185865_200011214921 [0,1,0,1,0,0|2,0,0]=4 26525 B13R1.1988 NC(=O)OCCN1CCCCCC1 34a_100000185865_200011214921 [0,1,0,1,0,0|2,0,0]=4 26526 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,1,0,1,0,0|1,0,0]=3 26527 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,1,0,1,0,0|2,0,0]=4 26528 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,1,0,1,0,0|1,0,0]=3 26529 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,1,0,1,0,0|1,0,0]=3 26530 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,1,0,1,0,0|1,0,0]=3 26531 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,1,0,1,0,0|1,0,0]=3 26532 B13R1.1988 O=[N+]([O-])CNCC1CCCCCC1 34a_100015204231_100000761209 [0,1,0,1,0,0|2,0,0]=4 26533 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 34a_100000699130_100000761209 [0,1,0,1,0,0|2,0,0]=4 26534 B13R1.1988 O=[N+]([O-])CSCC1CCCCCC1 62a_200000696569_100000761209 [0,1,0,1,0,0|2,0,0]=4 26535 B13R1.1988 [13CH3]C(=O)CON=C1CCCCCC1 1458a_100011946284_200025704644 [0,1,0,1,0,0|1,0,1]=4 26536 B13R1.2294 CCC1CC1C(=O)CCCC(=O)C 1458a_200011661523_100011215641 [0,1,0,1,0,0|0,0,1]=3 26537 B13R1.2294 CCC1CC1C(=O)CCCC(=O)N 1458a_200011661523_100102525003 [0,1,0,1,0,0|1,0,1]=4 26538 B13R1.2294 CCC1CC1C(=O)CCNC(=O)C 1458a_200011661523_100000189650 [0,1,0,1,0,0|1,0,1]=4 26539 B13R1.2294 CCC1CC1C(=O)CCOC(=O)C 1458a_200011661523_100009814007 [0,1,0,1,0,0|1,0,1]=4 26540 B13R1.3787 C=C(C)CCN1C(CCCC1C)C 2230a_100000210447_100000730704 [0,1,0,1,0,0|2,0,0]=4 26541 B13R1.3787 C=C(C)CCN1C(CCCC1C)C 269982a_100000210447_100000730704 [0,1,0,1,0,0|2,0,0]=4 26542 B13R1.3787 C=C(C)CCN1C(CCCC1C)C 34a_100000210447_100000730704 [0,1,0,1,0,0|2,0,0]=4 26543 B13R1.3787 C=C(C)COC1C(CCCC1C)C 34a_100011218088_100000748629 [0,1,0,1,0,0|2,0,0]=4 26544 B13R1.3787 C=C(C)COC1C(CCCC1C)C 7a_100011218088_100000748629 [0,1,0,1,0,0|2,0,0]=4 26545 B13R1.3787 CC(=O)CCN1C(CCCC1C)C 269982a_100000210447_100000053229 [0,1,0,1,0,0|1,0,0]=3 26546 B13R1.3787 CC(=O)CCN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000053229 [0,1,0,1,0,0|2,0,0]=4 26547 B13R1.3787 CC(=O)OCN1C(CCCC1C)C 269982a_100000210447_100000076356 [0,1,0,1,0,0|2,0,0]=4 26548 B13R1.3787 CC(=O)OCN1C(CCCC1C)C 34a_100000210447_100009813279 [0,1,0,1,0,0|2,0,0]=4 26549 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 34a_100011218088_100000187820 [0,1,0,1,0,0|2,0,0]=4 26550 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 7a_100011218088_100000187820 [0,1,0,1,0,0|2,0,0]=4 26551 B13R1.3787 CC1CCCC(C1OCC(=O)[O-])C 34a_100011218088_100020667443 [0,1,0,1,0,0|2,0,0]=4 26552 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 2230a_100000210447_100000744528 [0,1,0,1,0,0|2,0,0]=4 26553 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 269982a_100000210447_100000744528 [0,1,0,1,0,0|2,0,0]=4 26554 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 34a_100000210447_100000731001 [0,1,0,1,0,0|2,0,0]=4 26555 B13R1.5134 C=C(C)CCNC1(CCCCC1)C 2230a_100000741114_100000730704 [0,1,0,1,0,0|2,0,0]=4 26556 B13R1.5134 C=C(C)CCNC1(CCCCC1)C 34a_100000741114_100000730704 [0,1,0,1,0,0|2,0,0]=4 26557 B13R1.5134 C=C(C)CCOC1(CCCCC1)C 34a_100011215885_100000730704 [0,1,0,1,0,0|2,0,0]=4 26558 B13R1.5134 C=C(C)CCOC1(CCCCC1)C 7a_100011215885_100000730704 [0,1,0,1,0,0|2,0,0]=4 26559 B13R1.5134 C=C(C)CNCC1(CCCCC1)C 2230a_100000706052_100000748629 [0,1,0,1,0,0|2,0,0]=4 26560 B13R1.5134 C=C(C)CNCC1(CCCCC1)C 34a_100000706052_100000748629 [0,1,0,1,0,0|2,0,0]=4 26561 B13R1.5134 C=C(C)CNCC1(CCCCC1)O 2230a_100000748649_100000748629 [0,1,0,1,0,0|2,0,0]=4 26562 B13R1.5134 C=C(C)CNCC1(CCCCC1)O 34a_100000748649_100000748629 [0,1,0,1,0,0|2,0,0]=4 26563 B13R1.5134 C=C(C)COCC1(CCCCC1)C 34a_100000688186_100000748629 [0,1,0,1,0,0|2,0,0]=4 26564 B13R1.5134 C=C(C)COCC1(CCCCC1)C 7a_100000688186_100000748629 [0,1,0,1,0,0|2,0,0]=4 26565 B13R1.5134 C=C(C)COCC1(CCCCC1)F 34a_100000090305_100000748629 [0,1,0,1,0,0|2,0,0]=4 26566 B13R1.5134 C=C(C)COCC1(CCCCC1)F 7a_100000090305_100000748629 [0,1,0,1,0,0|2,0,0]=4 26567 B13R1.5134 C=C(C)COCC1(CCCCC1)N 34a_100000740034_100000748629 [0,1,0,1,0,0|2,0,0]=4 26568 B13R1.5134 CC(=O)CCOC1(CCCCC1)C 7a_100011215885_100000053229 [0,1,0,1,0,0|1,0,0]=3 26569 B13R1.5134 CC(=O)CCOC1(CCOCC1)C 7a_100011827762_100000053229 [0,1,0,1,0,0|2,0,0]=4 26570 B13R1.5134 CC(=O)CCOC1(CCSCC1)C 7a_200011004327_100000053229 [0,1,0,1,0,0|2,0,0]=4 26571 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 11a_100102740465_100015343762 [0,1,0,1,0,0|1,0,0]=3 26572 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 1626a_100102740465_100015343762 [0,1,0,1,0,0|1,0,0]=3 26573 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 240690a_100102740465_100015343762 [0,1,0,1,0,0|1,0,0]=3 26574 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 527a_100102740465_100103153847 [0,1,0,1,0,0|1,0,0]=3 26575 B13R1.5134 CC(=O)OCNC1(CCCCC1)C 34a_100000741114_100009813279 [0,1,0,1,0,0|2,0,0]=4 26576 B13R1.5134 CC(=O)OCOC1(CCCCC1)C 34a_100011215885_100009813279 [0,1,0,1,0,0|2,0,0]=4 26577 B13R1.5134 CC1(CCCCC1)CNCC(=O)N 2230a_100000706052_100000747473 [0,1,0,1,0,0|2,0,0]=4 26578 B13R1.5134 CC1(CCCCC1)CNCC(=O)N 34a_100000706052_100000187820 [0,1,0,1,0,0|2,0,0]=4 26579 B13R1.5134 CC1(CCCCC1)CNCC(=O)[O-] 34a_100000706052_100020667443 [0,1,0,1,0,0|2,0,0]=4 26580 B13R1.5134 CC1(CCCCC1)COCC(=O)N 34a_100000688186_100000187820 [0,1,0,1,0,0|2,0,0]=4 26581 B13R1.5134 CC1(CCCCC1)COCC(=O)N 7a_100000688186_100000187820 [0,1,0,1,0,0|2,0,0]=4 26582 B13R1.5134 CC1(CCCCC1)COCC(=O)[O-] 34a_100000688186_100020667443 [0,1,0,1,0,0|2,0,0]=4 26583 B13R1.5134 CC1(CCCCC1)NCCC(=O)N 2230a_100000741114_100000744528 [0,1,0,1,0,0|2,0,0]=4 26584 B13R1.5134 CC1(CCCCC1)NCCC(=O)N 34a_100000741114_100000731001 [0,1,0,1,0,0|2,0,0]=4 26585 B13R1.5134 CC1(CCCCC1)OCCC(=O)N 34a_100011215885_100000731001 [0,1,0,1,0,0|2,0,0]=4 26586 B13R1.5134 CC1(CCCCC1)OCCC(=O)N 7a_100011215885_100000744528 [0,1,0,1,0,0|2,0,0]=4 26587 B13R1.5134 NC(=O)CNCC1(CCCCC1)O 2230a_100000748649_100000747473 [0,1,0,1,0,0|2,0,0]=4 26588 B13R1.5134 NC(=O)CNCC1(CCCCC1)O 34a_100000748649_100000187820 [0,1,0,1,0,0|2,0,0]=4 26589 B13R1.5134 NC(=O)COCC1(CCCCC1)F 34a_100000090305_100000187820 [0,1,0,1,0,0|2,0,0]=4 26590 B13R1.5134 NC(=O)COCC1(CCCCC1)F 7a_100000090305_100000187820 [0,1,0,1,0,0|2,0,0]=4 26591 B13R1.5134 NC(=O)COCC1(CCCCC1)N 34a_100000740034_100000187820 [0,1,0,1,0,0|2,0,0]=4 26592 B13R1.5134 NC1(CCCCC1)COCC(=O)[O-] 34a_100000740034_100020667443 [0,1,0,1,0,0|2,0,0]=4 26593 B13R1.5134 O=C([O-])CNCC1(CCCCC1)O 34a_100000748649_100020667443 [0,1,0,1,0,0|2,0,0]=4 26594 B13R1.5134 O=C([O-])COCC1(CCCCC1)F 34a_100000090305_100020667443 [0,1,0,1,0,0|2,0,0]=4 26595 B13R1.6 C#CCCCOC1CCCC(=O)C1 34a_100012613340_100000695029 [0,1,0,1,0,0|0,0,2]=4 26596 B13R1.6 C=CCCCOC1CCCC(=O)C1 34a_100012613340_100000757094 [0,1,0,1,0,0|0,0,2]=4 26597 B13R1.6 CC/C=C\COC1CCCC(=O)C1 34a_100012613340_100103147603 [0,1,0,1,0,0|0,0,2]=4 26598 B13R1.6 CC1=CC(CCC1)OCCCCF 34a_100011218613_100000729493 [0,1,0,1,0,0|2,0,0]=4 26599 B13R1.6 CC1=CC(CCC1)OCCCCO 34a_100011218613_100011216708 [0,1,0,1,0,0|2,0,0]=4 26600 B13R1.6 CCC#CCOC1CCCC(=O)C1 34a_100012613340_100009813939 [0,1,0,1,0,0|0,0,2]=4 26601 B13R1.6 CCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210314 [0,1,0,1,0,0|1,0,1]=4 26602 B13R1.6 CCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210757 [0,1,0,1,0,0|1,0,1]=4 26603 B13R1.6 CCCCCCN1CCC=C(C1)C 34a_100000725631_100000210314 [0,1,0,1,0,0|1,0,1]=4 26604 B13R1.6 CCCCCCN1CCCC(C1)F 2230a_100000697950_100000210314 [0,1,0,1,0,0|1,0,1]=4 26605 B13R1.6 CCCCCCN1CCCC(C1)F 269982a_100000697950_100000210757 [0,1,0,1,0,0|1,0,1]=4 26606 B13R1.6 CCCCCCN1CCCC(C1)F 34a_100000697950_100000210314 [0,1,0,1,0,0|1,0,1]=4 26607 B13R1.6 CCCCCCN1CCCC(C1)O 2230a_100000211013_100000210314 [0,1,0,1,0,0|0,0,2]=4 26608 B13R1.6 CCCCCCN1CCCC(C1)O 269982a_100000211013_100000210757 [0,1,0,1,0,0|0,0,2]=4 26609 B13R1.6 CCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210314 [0,1,0,1,0,0|1,0,1]=4 26610 B13R1.6 CCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210757 [0,1,0,1,0,0|1,0,1]=4 26611 B13R1.6 CCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000210314 [0,1,0,1,0,0|1,0,1]=4 26612 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,1,0,1,0,0|1,0,0]=3 26613 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,1,0,0|1,0,0]=3 26614 B13R1.6 CCCCCNC1CCCC(C1)C 2230a_100011194320_100000210326 [0,1,0,1,0,0|1,0,1]=4 26615 B13R1.6 CCCCCNC1CCCC(C1)C 270004a_100000209983_100000183594 [0,1,0,1,0,0|1,0,1]=4 26616 B13R1.6 CCCCCNC1CCCC(C1)C 34a_100011194320_100000718602 [0,1,0,1,0,0|1,0,1]=4 26617 B13R1.6 CCCCCNC1CCCC(C1)O 2230a_100015190357_100000210326 [0,1,0,1,0,0|0,0,2]=4 26618 B13R1.6 CCCCCNC1CCCC(C1)O 270004a_100000209983_100012613340 [0,1,0,1,0,0|0,0,2]=4 26619 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,1,0,1,0,0|1,0,0]=3 26620 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,1,0,1,0,0|1,0,0]=3 26621 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [0,1,0,1,0,0|1,0,0]=3 26622 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,1,0,1,0,0|0,0,0]=2 26623 B13R1.6 CCCCCOC1CCCC(C1)C 34a_100000211399_100000718602 [0,1,0,1,0,0|1,0,1]=4 26624 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,1,0,1,0,0|1,0,0]=3 26625 B13R1.6 CCCCNCC1CCCC(C1)O 2230a_100011254705_100000210211 [0,1,0,1,0,0|0,0,2]=4 26626 B13R1.6 CCCCNCC1CCCN(C1)C 7a_106832991798_100000752043 [0,1,0,1,0,0|2,0,0]=4 26627 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,1,0,1,0,0|1,0,0]=3 26628 B13R1.6 CCCCOCC1CCCN(C1)C 34a_100000210227_100015183302 [0,1,0,1,0,0|2,0,0]=4 26629 B13R1.6 CCCCOCC1CCCN(C1)C 7a_100000210227_100000752043 [0,1,0,1,0,0|2,0,0]=4 26630 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,1,0,1,0,0|1,0,0]=3 26631 B13R1.6 CCCCOCC1COCC(=O)N1 34a_200000101122_100000210210 [0,1,0,1,0,0|2,0,0]=4 26632 B13R1.6 CCCCOCN1CCNC(=O)C1 2230a_100000184651_100011995733 [0,1,0,1,0,0|2,0,0]=4 26633 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [0,1,0,1,0,0|2,0,0]=4 26634 B13R1.6 CCCCSCC1CCCN(C1)C 62a_100000210211_100000752043 [0,1,0,1,0,0|2,0,0]=4 26635 B13R1.6 CCCCSCC1CCCN(C1)C 62a_100000752043_100000210210 [0,1,0,1,0,0|2,0,0]=4 26636 B13R1.6 CCCOCCN1CCNC(=O)C1 2230a_100000184651_100011215938 [0,1,0,1,0,0|2,0,0]=4 26637 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [0,1,0,1,0,0|2,0,0]=4 26638 B13R1.6 CCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210202 [0,1,0,1,0,0|2,0,0]=4 26639 B13R1.6 CCOCCCN1CCNC(=O)C1 2230a_100000184651_100012232248 [0,1,0,1,0,0|2,0,0]=4 26640 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [0,1,0,1,0,0|2,0,0]=4 26641 B13R1.6 CCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215890 [0,1,0,1,0,0|2,0,0]=4 26642 B13R1.6 CCOCCNC1CCNC(=O)C1 34a_100016994916_100000210147 [0,1,0,1,0,0|2,0,0]=4 26643 B13R1.6 CCOCCOC1C=C(CCC1)C 34a_100011218613_100000210147 [0,1,0,1,0,0|2,0,0]=4 26644 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,1,0,1,0,0|1,0,0]=3 26645 B13R1.6 CCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210147 [0,1,0,1,0,0|2,0,0]=4 26646 B13R1.6 CCSCCNC1CCNC(=O)C1 2230a_100016994916_100000757381 [0,1,0,1,0,0|2,0,0]=4 26647 B13R1.6 CCSCCNC1CCNC(=O)C1 34a_100016994916_100000757381 [0,1,0,1,0,0|2,0,0]=4 26648 B13R1.6 CCSCCOC1C=C(CCC1)C 34a_100011218613_100000757381 [0,1,0,1,0,0|2,0,0]=4 26649 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,1,0,1,0,0|1,0,0]=3 26650 B13R1.6 CCSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757381 [0,1,0,1,0,0|2,0,0]=4 26651 B13R1.6 COCCCCN1CCNC(=O)C1 2230a_100000184651_100000730899 [0,1,0,1,0,0|2,0,0]=4 26652 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [0,1,0,1,0,0|2,0,0]=4 26653 B13R1.6 COCCCNC1CCNC(=O)C1 2230a_100016994916_100000740836 [0,1,0,1,0,0|2,0,0]=4 26654 B13R1.6 COCCCNC1CCNC(=O)C1 34a_100016994916_100000740836 [0,1,0,1,0,0|2,0,0]=4 26655 B13R1.6 COCCCOC1C=C(CCC1)C 34a_100011218613_100000740836 [0,1,0,1,0,0|2,0,0]=4 26656 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [0,1,0,1,0,0|1,0,0]=3 26657 B13R1.6 COCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000740836 [0,1,0,1,0,0|2,0,0]=4 26658 B13R1.6 COCCOCC1CCCC(=O)N1 34a_200000102386_100011201679 [0,1,0,1,0,0|2,0,0]=4 26659 B13R1.6 COCCOCC1CCNC(=O)C1 34a_100009886756_100011201679 [0,1,0,1,0,0|2,0,0]=4 26660 B13R1.6 CSCCOCC1CCCC(=O)N1 34a_200000102386_100000212216 [0,1,0,1,0,0|2,0,0]=4 26661 B13R1.6 CSCCOCC1CCNC(=O)C1 34a_100009886756_100000212216 [0,1,0,1,0,0|2,0,0]=4 26662 B13R1.6 O=C1CC(CCN1)COCCCF 34a_100009886756_100011934791 [0,1,0,1,0,0|2,0,0]=4 26663 B13R1.6 O=C1CC(CCN1)COCCCO 34a_100009886756_100000230001 [0,1,0,1,0,0|2,0,0]=4 26664 B13R1.6 O=C1CC(CCN1)NCCCCF 2230a_100016994916_100000729493 [0,1,0,1,0,0|2,0,0]=4 26665 B13R1.6 O=C1CC(CCN1)NCCCCF 34a_100016994916_100000729493 [0,1,0,1,0,0|2,0,0]=4 26666 B13R1.6 O=C1CC(CCN1)NCCCCO 2230a_100016994916_100000210776 [0,1,0,1,0,0|2,0,0]=4 26667 B13R1.6 O=C1CC(CCN1)NCCCCO 34a_100016994916_100011216708 [0,1,0,1,0,0|2,0,0]=4 26668 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [0,1,0,1,0,0|1,0,0]=3 26669 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,1,0,1,0,0|1,0,0]=3 26670 B13R1.6 O=C1CCCC(N1)COCCCF 34a_200000102386_100011934791 [0,1,0,1,0,0|2,0,0]=4 26671 B13R1.6 O=C1CCCC(N1)COCCCO 34a_200000102386_100000230001 [0,1,0,1,0,0|2,0,0]=4 26672 B13R1.6 O=C1CN(CCN1)CCCCCF 2230a_100000184651_100000729378 [0,1,0,1,0,0|2,0,0]=4 26673 B13R1.6 O=C1CN(CCN1)CCCCCO 2230a_100000184651_100000746330 [0,1,0,1,0,0|2,0,0]=4 26674 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [0,1,0,1,0,0|2,0,0]=4 26675 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [0,1,0,1,0,0|2,0,0]=4 26676 B13R1.6 O=C1C[C@@H](CCN1)OCCCCF 34a_100015189427_100000729493 [0,1,0,1,0,0|2,0,0]=4 26677 B13R1.6 O=C1C[C@@H](CCN1)OCCCCO 34a_100015189427_100011216708 [0,1,0,1,0,0|2,0,0]=4 26678 B13R1.90 C#CC1CCCCN1CCC(=O)C 269982a_200020621307_100000053229 [0,1,0,1,0,0|0,0,2]=4 26679 B13R1.90 C=C(C)CCN1CCCCC1CC 2230a_100000210034_100000730704 [0,1,0,1,0,0|1,0,0]=3 26680 B13R1.90 C=C(C)CCN1CCCCC1CC 269982a_100000210034_100000730704 [0,1,0,1,0,0|1,0,0]=3 26681 B13R1.90 C=C(C)CCN1CCCCC1CC 34a_100000210034_100000730704 [0,1,0,1,0,0|1,0,0]=3 26682 B13R1.90 C=C(C)CCN1CCCCC1CO 2230a_100000210821_100000730704 [0,1,0,1,0,0|2,0,0]=4 26683 B13R1.90 C=C(C)CCN1CCCCC1CO 269982a_100000210821_100000730704 [0,1,0,1,0,0|2,0,0]=4 26684 B13R1.90 C=C(C)CCN1CCCCC1CO 34a_100000210821_100000730704 [0,1,0,1,0,0|2,0,0]=4 26685 B13R1.90 C=C(C)CCN1CCOC[C@@H]1CC 2230a_100016988097_100000730704 [0,1,0,1,0,0|2,0,0]=4 26686 B13R1.90 C=C(C)CCN1CCOC[C@@H]1CC 269982a_100016988097_100000730704 [0,1,0,1,0,0|2,0,0]=4 26687 B13R1.90 C=C(C)CCN1CCOC[C@@H]1CC 34a_100016988097_100000730704 [0,1,0,1,0,0|2,0,0]=4 26688 B13R1.90 C=C(C)CNC1CCCCC1OC 34a_100011208099_100000748629 [0,1,0,1,0,0|2,0,0]=4 26689 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [0,1,0,1,0,0|1,0,0]=3 26690 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [0,1,0,1,0,0|1,0,0]=3 26691 B13R1.90 C=C(C)COC1CCCCC1CN 34a_100011216029_100000748629 [0,1,0,1,0,0|2,0,0]=4 26692 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 26693 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 26694 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 26695 B13R1.90 C=C(F)COC1CCCCC1CC 34a_100000210738_100009893438 [0,1,0,1,0,0|1,0,1]=4 26696 B13R1.90 C=C(F)COC1CCCCC1CC 7a_100000210738_100000042424 [0,1,0,1,0,0|1,0,1]=4 26697 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,1,0,1,0,0|1,0,0]=3 26698 B13R1.90 CC(=O)CCN1CCOC[C@H]1CO 269982a_100000717676_100000053229 [0,1,0,1,0,0|2,0,0]=4 26699 B13R1.90 CC(=O)OCN1CCCCC1CO 269982a_100000210821_100000076356 [0,1,0,1,0,0|2,0,0]=4 26700 B13R1.90 CC(=O)OCN1CCCCC1CO 34a_100000210821_100009813279 [0,1,0,1,0,0|2,0,0]=4 26701 B13R1.90 CCC1CCCCC1=NNC(=O)C 4a_100000189765_100000757040 [0,1,0,1,0,0|1,0,1]=4 26702 B13R1.90 CCC1CCCCC1NCC(C)C 269862a_100000210953_100000757040 [0,1,0,1,0,0|1,0,1]=4 26703 B13R1.90 CCC1CCCCC1NCC(C)C 270004a_100000210953_100000757040 [0,1,0,1,0,0|1,0,1]=4 26704 B13R1.90 CCC1CCCCC1NCC(C)O 269862a_100000210904_100000757040 [0,1,0,1,0,0|0,0,2]=4 26705 B13R1.90 CCC1CCCCC1NCC(C)O 270004a_100000210904_100000757040 [0,1,0,1,0,0|0,0,2]=4 26706 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,1,0,1,0,0|1,0,0]=3 26707 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,1,0,1,0,0|1,0,0]=3 26708 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,1,0,1,0,0|1,0,0]=3 26709 B13R1.90 CCC1CCCCC1OCC(C)C 34a_100000210738_100000210624 [0,1,0,1,0,0|1,0,1]=4 26710 B13R1.90 CCC1CCCCC1OCC(C)C 7a_100000210738_100000210760 [0,1,0,1,0,0|1,0,1]=4 26711 B13R1.90 CCC1CCCCC1OCC(C)O 34a_100000210738_100011218427 [0,1,0,1,0,0|0,0,2]=4 26712 B13R1.90 CCC1CCCCC1OCC(C)O 7a_100000210738_100011218427 [0,1,0,1,0,0|0,0,2]=4 26713 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 34a_100000210738_100009817552 [0,1,0,1,0,0|0,0,2]=4 26714 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 7a_100000210738_100009817552 [0,1,0,1,0,0|0,0,2]=4 26715 B13R1.90 CCC1CCCCC1OC[N+](=O)[O-] 34a_100000210738_100000761209 [0,1,0,1,0,0|2,0,0]=4 26716 B13R1.90 CCC1CCCCN1CC=C(C)C 2230a_100000210034_100000761012 [0,1,0,1,0,0|1,0,1]=4 26717 B13R1.90 CCC1CCCCN1CC=C(C)C 269982a_100000210034_100000761012 [0,1,0,1,0,0|1,0,1]=4 26718 B13R1.90 CCC1CCCCN1CC=C(C)C 34a_100000210034_100000761012 [0,1,0,1,0,0|1,0,1]=4 26719 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [0,1,0,1,0,0|0,0,0]=2 26720 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [0,1,0,1,0,0|1,0,0]=3 26721 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [0,1,0,1,0,0|1,0,0]=3 26722 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [0,1,0,1,0,0|1,0,0]=3 26723 B13R1.90 CCC1CCCCN1CCC(C)C 2230a_100000210034_100000210312 [0,1,0,1,0,0|1,0,1]=4 26724 B13R1.90 CCC1CCCCN1CCC(C)C 269982a_100000210034_100000210312 [0,1,0,1,0,0|1,0,1]=4 26725 B13R1.90 CCC1CCCCN1CCC(C)C 34a_100000210034_100000210312 [0,1,0,1,0,0|1,0,1]=4 26726 B13R1.90 CCC1CCCCN1CCC(C)O 2230a_100000210034_100012276601 [0,1,0,1,0,0|0,0,2]=4 26727 B13R1.90 CCC1CCCCN1CCC(C)O 269982a_100000210034_100012276601 [0,1,0,1,0,0|0,0,2]=4 26728 B13R1.90 CCC1CCCCN1CCC(C)O 34a_100000210034_100012276601 [0,1,0,1,0,0|0,0,2]=4 26729 B13R1.90 CCC1CCCCN1CCN(C)C 269982a_100000210034_100000755713 [0,1,0,1,0,0|2,0,0]=4 26730 B13R1.90 CCC1CCCCN1COC(=O)C 269982a_100000210034_100000076356 [0,1,0,1,0,0|1,0,0]=3 26731 B13R1.90 CCC1CCCCN1COC(=O)C 34a_100000210034_100009813279 [0,1,0,1,0,0|1,0,0]=3 26732 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,0,1,0,0|1,0,0]=3 26733 B13R1.90 CCN1CCCCC1CCN(C)C 269982a_100000243220_100000204670 [0,1,0,1,0,0|2,0,0]=4 26734 B13R1.90 CCN1CCCCC1CNC(=O)C 11a_100000754393_100015343762 [0,1,0,1,0,0|1,0,0]=3 26735 B13R1.90 CCN1CCCCC1CNC(=O)C 1626a_100000754393_100015343762 [0,1,0,1,0,0|1,0,0]=3 26736 B13R1.90 CCN1CCCCC1CNC(=O)C 240690a_100000754393_100015343762 [0,1,0,1,0,0|1,0,0]=3 26737 B13R1.90 CCN1CCCCC1CNC(=O)C 527a_100000754393_100103153847 [0,1,0,1,0,0|1,0,0]=3 26738 B13R1.90 CC[C@H]1COCCN1CCC(=O)C 269982a_100016988097_100000053229 [0,1,0,1,0,0|1,0,0]=3 26739 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 2230a_100016988097_100000744528 [0,1,0,1,0,0|2,0,0]=4 26740 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 269982a_100016988097_100000744528 [0,1,0,1,0,0|2,0,0]=4 26741 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 34a_100016988097_100000731001 [0,1,0,1,0,0|2,0,0]=4 26742 B13R1.90 CC[C@H]1COCCN1COC(=O)C 269982a_100016988097_100000076356 [0,1,0,1,0,0|2,0,0]=4 26743 B13R1.90 CC[C@H]1COCCN1COC(=O)C 34a_100016988097_100009813279 [0,1,0,1,0,0|2,0,0]=4 26744 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)N 34a_100000708425_100000187820 [0,1,0,1,0,0|2,0,0]=4 26745 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)[O-] 34a_100000708425_100020667443 [0,1,0,1,0,0|2,0,0]=4 26746 B13R1.90 COC1CCCCC1NCC(=O)N 34a_100011208099_100000187820 [0,1,0,1,0,0|2,0,0]=4 26747 B13R1.90 COC1CCCCC1NCC(=O)[O-] 34a_100011208099_100020667443 [0,1,0,1,0,0|2,0,0]=4 26748 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 34a_200009815850_100000187820 [0,1,0,1,0,0|2,0,0]=4 26749 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 7a_200009815850_100000187820 [0,1,0,1,0,0|2,0,0]=4 26750 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_200009815850_100020667443 [0,1,0,1,0,0|2,0,0]=4 26751 B13R1.90 NC(=O)CCN1CCCCC1CO 2230a_100000210821_100000744528 [0,1,0,1,0,0|2,0,0]=4 26752 B13R1.90 NC(=O)CCN1CCCCC1CO 269982a_100000210821_100000744528 [0,1,0,1,0,0|2,0,0]=4 26753 B13R1.90 NC(=O)CCN1CCCCC1CO 34a_100000210821_100000731001 [0,1,0,1,0,0|2,0,0]=4 26754 B13R1.90 NCC1CCCCC1OCC(=O)N 34a_100011216029_100000187820 [0,1,0,1,0,0|2,0,0]=4 26755 B13R1.90 NCC1CCCCC1OCC(=O)[O-] 34a_100011216029_100020667443 [0,1,0,1,0,0|2,0,0]=4 26756 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,1,0,1,0,0|2,0,0]=4 26757 B13R1.103 C=C(C)CNCC1CCCN1CC 2230a_100000211693_100000748629 [0,1,0,1,0,0|2,0,0]=4 26758 B13R1.103 C=C(C)COC[C@H]1CCCN1CC 34a_100011739246_100000748629 [0,1,0,1,0,0|2,0,0]=4 26759 B13R1.103 C=C(C)COC[C@H]1CCCN1CC 7a_100011739246_100000748629 [0,1,0,1,0,0|2,0,0]=4 26760 B13R1.103 CC(=O)CCCN1CCC[C@@H]1C#N 269982a_106645074975_100011215641 [0,1,0,1,0,0|1,0,1]=4 26761 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215641 [0,1,0,1,0,0|1,0,0]=3 26762 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000685027 [0,1,0,1,0,0|1,0,0]=3 26763 B13R1.103 CC(=O)CCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000053229 [0,1,0,1,0,0|1,0,1]=4 26764 B13R1.103 CC(=O)NCCN1CCC[C@@H]1CO 2230a_100000745186_100000189650 [0,1,0,1,0,0|2,0,0]=4 26765 B13R1.103 CC(=O)NCCN1CCC[C@@H]1CO 269982a_100000745186_100000189650 [0,1,0,1,0,0|2,0,0]=4 26766 B13R1.103 CC(=O)OCCN1CCC[C@@H]1CO 269982a_100000745186_100009814007 [0,1,0,1,0,0|2,0,0]=4 26767 B13R1.103 CC(=O)OCCN1CCC[C@@H]1CO 34a_100000745186_100009814007 [0,1,0,1,0,0|2,0,0]=4 26768 B13R1.103 CCC1C=CCN1CCCC(=O)C 269982a_100000730860_100011215641 [0,1,0,1,0,0|0,0,2]=4 26769 B13R1.103 CCC1C=CCN1CCCC(=O)C 34a_100000730860_100000685027 [0,1,0,1,0,0|0,0,2]=4 26770 B13R1.103 CCC1CCCC1NCC=C(C)C 270004a_100000718196_100000749056 [0,1,0,1,0,0|1,0,1]=4 26771 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [0,1,0,1,0,0|1,0,0]=3 26772 B13R1.103 CCC1CCCC1NCCC(C)C 269862a_100000210545_100000749056 [0,1,0,1,0,0|1,0,1]=4 26773 B13R1.103 CCC1CCCC1NCCC(C)C 270004a_100000210545_100000749056 [0,1,0,1,0,0|1,0,1]=4 26774 B13R1.103 CCC1CCCC1NCCC(C)O 269862a_200000755665_100000749056 [0,1,0,1,0,0|0,0,2]=4 26775 B13R1.103 CCC1CCCC1NCCC(C)O 270004a_200000755665_100000749056 [0,1,0,1,0,0|0,0,2]=4 26776 B13R1.103 CCC1CCCC1NCCN(C)C 269862a_100000210585_100000749056 [0,1,0,1,0,0|2,0,0]=4 26777 B13R1.103 CCC1CCCC1NCCN(C)C 270004a_100000210585_100000749056 [0,1,0,1,0,0|2,0,0]=4 26778 B13R1.103 CCC1CCCN1CCC=C(C)C 2230a_100000754278_100011217483 [0,1,0,1,0,0|1,0,1]=4 26779 B13R1.103 CCC1CCCN1CCC=C(C)C 269982a_100000754278_100011217483 [0,1,0,1,0,0|1,0,1]=4 26780 B13R1.103 CCC1CCCN1CCC=C(C)C 34a_100000754278_100011217483 [0,1,0,1,0,0|1,0,1]=4 26781 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [0,1,0,1,0,0|0,0,0]=2 26782 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [0,1,0,1,0,0|0,0,0]=2 26783 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [0,1,0,1,0,0|1,0,0]=3 26784 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [0,1,0,1,0,0|1,0,0]=3 26785 B13R1.103 CCC1CCCN1CCCC(C)C 2230a_100000754278_100011214892 [0,1,0,1,0,0|1,0,1]=4 26786 B13R1.103 CCC1CCCN1CCCC(C)C 269982a_100000754278_100011214892 [0,1,0,1,0,0|1,0,1]=4 26787 B13R1.103 CCC1CCCN1CCCC(C)C 34a_100000754278_100011214892 [0,1,0,1,0,0|1,0,1]=4 26788 B13R1.103 CCC1CCCN1CCCC(C)O 2230a_100000754278_200000718107 [0,1,0,1,0,0|0,0,2]=4 26789 B13R1.103 CCC1CCCN1CCCC(C)O 269982a_100000754278_200000718107 [0,1,0,1,0,0|0,0,2]=4 26790 B13R1.103 CCC1CCCN1CCCC(C)O 34a_100000754278_200000718107 [0,1,0,1,0,0|0,0,2]=4 26791 B13R1.103 CCC1CCCN1CCCN(C)C 269982a_100000754278_100000757444 [0,1,0,1,0,0|2,0,0]=4 26792 B13R1.103 CCC1CCCN1CCNC(=O)C 2230a_100000754278_100000189650 [0,1,0,1,0,0|1,0,0]=3 26793 B13R1.103 CCC1CCCN1CCNC(=O)C 269982a_100000754278_100000189650 [0,1,0,1,0,0|1,0,0]=3 26794 B13R1.103 CCC1CCCN1CCNC(=O)N 2230a_100000754278_200000034859 [0,1,0,1,0,0|2,0,0]=4 26795 B13R1.103 CCC1CCCN1CCNC(=O)N 269982a_100000754278_200000034859 [0,1,0,1,0,0|2,0,0]=4 26796 B13R1.103 CCC1CCCN1CCOC(=O)C 269982a_100000754278_100009814007 [0,1,0,1,0,0|1,0,0]=3 26797 B13R1.103 CCC1CCCN1CCOC(=O)C 34a_100000754278_100009814007 [0,1,0,1,0,0|1,0,0]=3 26798 B13R1.103 CCC1CCCN1CCOC(=O)N 269982a_100000754278_200011214921 [0,1,0,1,0,0|2,0,0]=4 26799 B13R1.103 CCC1CCCN1CCOC(=O)N 34a_100000754278_200011214921 [0,1,0,1,0,0|2,0,0]=4 26800 B13R1.103 CCN1CCCC1CNCC(=O)N 2230a_100000211693_100000747473 [0,1,0,1,0,0|2,0,0]=4 26801 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 34a_100011739246_100000187820 [0,1,0,1,0,0|2,0,0]=4 26802 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 7a_100011739246_100000187820 [0,1,0,1,0,0|2,0,0]=4 26803 B13R1.103 CCN1CCC[C@@H]1COCC(=O)[O-] 34a_100011739246_100020667443 [0,1,0,1,0,0|2,0,0]=4 26804 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 26805 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 26806 B13R1.167 C=C(C)CCOCC1CCCN1C 34a_100000743107_100000730704 [0,1,0,1,0,0|2,0,0]=4 26807 B13R1.167 C=C(C)COCCC1CCCN1C 34a_100000210245_100000005710 [0,1,0,1,0,0|2,0,0]=4 26808 B13R1.167 C=C(C)COCCC1CCCN1C 34a_100011215177_100000748629 [0,1,0,1,0,0|2,0,0]=4 26809 B13R1.167 C=C(C)COCCC1CCCN1C 7a_100011215177_100000748629 [0,1,0,1,0,0|2,0,0]=4 26810 B13R1.167 C=C(C)CSCCC1CCCN1C 62a_100000005710_100000211660 [0,1,0,1,0,0|2,0,0]=4 26811 B13R1.167 C=C(C)CSCCC1CCCN1C 62a_100000748629_100000005710 [0,1,0,1,0,0|2,0,0]=4 26812 B13R1.167 CC(=CCCOC1CCCC1C)C 34a_100011216460_100011217483 [0,1,0,1,0,0|1,0,1]=4 26813 B13R1.167 CC(=CCCOC1CCCC1C)C 7a_100011216460_100011217483 [0,1,0,1,0,0|1,0,1]=4 26814 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [0,1,0,1,0,0|0,0,0]=2 26815 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [0,1,0,1,0,0|0,0,0]=2 26816 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [0,1,0,1,0,0|0,0,0]=2 26817 B13R1.167 CC(=O)CCCCN1CCSC1C 269982a_200011216479_100000735457 [0,1,0,1,0,0|1,0,0]=3 26818 B13R1.167 CC(=O)CCCCN1CCSC1C 34a_200011216479_100009817362 [0,1,0,1,0,0|1,0,0]=3 26819 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_100000759063_100000709159 [0,1,0,1,0,0|1,0,1]=4 26820 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_200000719330_100000685027 [0,1,0,1,0,0|1,0,1]=4 26821 B13R1.167 CC(=O)CCCOC1CCCC1=O 7a_100000759063_100000211823 [0,1,0,1,0,0|1,0,1]=4 26822 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [0,1,0,1,0,0|0,0,0]=2 26823 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [0,1,0,1,0,0|0,0,0]=2 26824 B13R1.167 CC(=O)CCCOC1COCC1O 34a_100000759063_200000725654 [0,1,0,1,0,0|2,0,0]=4 26825 B13R1.167 CC(=O)CCCOC1COCC1O 7a_100000759063_200000725654 [0,1,0,1,0,0|2,0,0]=4 26826 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000685027 [0,1,0,1,0,0|1,0,0]=3 26827 B13R1.167 CC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000685027 [0,1,0,1,0,0|1,0,0]=3 26828 B13R1.167 CC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000685027 [0,1,0,1,0,0|1,0,0]=3 26829 B13R1.167 CC(=O)CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000685027 [0,1,0,1,0,0|2,0,0]=4 26830 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100000211823_100011215641 [0,1,0,1,0,0|1,0,1]=4 26831 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100011215641_100000211823 [0,1,0,1,0,0|1,0,1]=4 26832 B13R1.167 CC(=O)CCCSC1COCC1O 62a_100011215641_200000725654 [0,1,0,1,0,0|2,0,0]=4 26833 B13R1.167 CC(=O)CCCSC1COCC1O 62a_200000725654_100011215641 [0,1,0,1,0,0|2,0,0]=4 26834 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011215641_200016002552 [0,1,0,1,0,0|1,0,0]=3 26835 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215641 [0,1,0,1,0,0|1,0,0]=3 26836 B13R1.167 CC(=O)COCCC1CCCN1C 34a_100000211253_100000005710 [0,1,0,1,0,0|1,0,0]=3 26837 B13R1.167 CC(=O)NCCNC1CCCC1C 269862a_100000209853_100000752053 [0,1,0,1,0,0|1,0,0]=3 26838 B13R1.167 CC(=O)NCCOC1CCCC1C 7a_100011216460_100000189650 [0,1,0,1,0,0|1,0,0]=3 26839 B13R1.167 CC(=O)NCCS[C@@H]1CCC[C@H]1O 62a_100000189650_200016002552 [0,1,0,1,0,0|2,0,0]=4 26840 B13R1.167 CC(=O)NCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000189650 [0,1,0,1,0,0|2,0,0]=4 26841 B13R1.167 CC(=O)OCCCN1CCC[C@@H]1C 269982a_100020605311_100000042594 [0,1,0,1,0,0|1,0,0]=3 26842 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 269982a_100015189458_100000042594 [0,1,0,1,0,0|1,0,0]=3 26843 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 34a_100015189458_100000042594 [0,1,0,1,0,0|1,0,0]=3 26844 B13R1.167 CC(=O)OCCCN1CCSC1C 269982a_200011216479_100000042594 [0,1,0,1,0,0|2,0,0]=4 26845 B13R1.167 CC(=O)OCCCN1CCSC1C 34a_200011216479_100000042594 [0,1,0,1,0,0|2,0,0]=4 26846 B13R1.167 CC(=O)OCCOC1CCCC1C 34a_100011216460_100009814007 [0,1,0,1,0,0|1,0,0]=3 26847 B13R1.167 CC(=O)OCCOC1CCCC1C 7a_100011216460_100009814007 [0,1,0,1,0,0|1,0,0]=3 26848 B13R1.167 CC(=O)OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009814007 [0,1,0,1,0,0|2,0,0]=4 26849 B13R1.167 CC(=O)OCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009814007 [0,1,0,1,0,0|2,0,0]=4 26850 B13R1.167 CC(=O)OCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009814007 [0,1,0,1,0,0|2,0,0]=4 26851 B13R1.167 CC(=O)OCCS[C@@H]1CCC[C@H]1O 62a_100009814007_200016002552 [0,1,0,1,0,0|2,0,0]=4 26852 B13R1.167 CC(=O)OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009814007 [0,1,0,1,0,0|2,0,0]=4 26853 B13R1.167 CC(=O)OCOCC1CCCN1C 34a_100000743107_100009813279 [0,1,0,1,0,0|2,0,0]=4 26854 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 2230a_100020605311_100000038929 [0,1,0,1,0,0|1,0,0]=3 26855 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 269982a_100020605311_100000038929 [0,1,0,1,0,0|1,0,0]=3 26856 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 2230a_100015189458_100000038929 [0,1,0,1,0,0|1,0,0]=3 26857 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 269982a_100015189458_100000038929 [0,1,0,1,0,0|1,0,0]=3 26858 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 34a_100015189458_100000038929 [0,1,0,1,0,0|1,0,0]=3 26859 B13R1.167 CC(=O)SCCCN1CCSC1C 2230a_200011216479_100000038929 [0,1,0,1,0,0|2,0,0]=4 26860 B13R1.167 CC(=O)SCCCN1CCSC1C 269982a_200011216479_100000038929 [0,1,0,1,0,0|2,0,0]=4 26861 B13R1.167 CC(=O)SCCCN1CCSC1C 34a_200011216479_100000038929 [0,1,0,1,0,0|2,0,0]=4 26862 B13R1.167 CC(=O)SCCNC1CCCC1C 269862a_100020647217_100000752053 [0,1,0,1,0,0|1,0,0]=3 26863 B13R1.167 CC(=S)OCCCN1CCC[C@@H]1C 2230a_100020605311_200135323944 [0,1,0,1,0,0|1,1,0]=4 26864 B13R1.167 CC(=S)OCCCN1CCC[C@@H]1C 269982a_100020605311_200135323944 [0,1,0,1,0,0|1,1,0]=4 26865 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 2230a_100015189458_200135323944 [0,1,0,1,0,0|1,1,0]=4 26866 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 269982a_100015189458_200135323944 [0,1,0,1,0,0|1,1,0]=4 26867 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 34a_100015189458_200135323944 [0,1,0,1,0,0|1,1,0]=4 26868 B13R1.167 CC(C)CCCCN1CCC[C@@H]1C 2230a_100020605311_100011216152 [0,1,0,1,0,0|1,0,1]=4 26869 B13R1.167 CC(C)CCCCN1CCC[C@@H]1C 269982a_100020605311_100011216152 [0,1,0,1,0,0|1,0,1]=4 26870 B13R1.167 CC(C)CCCCN1CCC[C@H]1C 2230a_100015189458_100011216152 [0,1,0,1,0,0|1,0,1]=4 26871 B13R1.167 CC(C)CCCCN1CCC[C@H]1C 269982a_100015189458_100011216152 [0,1,0,1,0,0|1,0,1]=4 26872 B13R1.167 CC(C)CCCCN1CCC[C@H]1C 34a_100015189458_100011216152 [0,1,0,1,0,0|1,0,1]=4 26873 B13R1.167 CC(C)CCCNC1CCCC1C 269862a_200000737386_100000752053 [0,1,0,1,0,0|1,0,1]=4 26874 B13R1.167 CC(C)CCCOC1CCCC1C 34a_100011216460_100011214892 [0,1,0,1,0,0|1,0,1]=4 26875 B13R1.167 CC(C)CCCOC1CCCC1C 7a_100011216460_100011214892 [0,1,0,1,0,0|1,0,1]=4 26876 B13R1.167 CC(O)CCCOC1CCCC1C 34a_100011216460_200000718107 [0,1,0,1,0,0|0,0,2]=4 26877 B13R1.167 CC(O)CCCOC1CCCC1C 7a_100011216460_200000718107 [0,1,0,1,0,0|0,0,2]=4 26878 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [0,1,0,1,0,0|1,0,0]=3 26879 B13R1.167 CC1CCCC1NCCCN(C)C 269862a_102531767803_100000752053 [0,1,0,1,0,0|2,0,0]=4 26880 B13R1.167 CC1CCCC1NCCNC(=O)N 269862a_100020590234_100000752053 [0,1,0,1,0,0|2,0,0]=4 26881 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [0,1,0,1,0,0|1,0,0]=3 26882 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [0,1,0,1,0,0|1,0,0]=3 26883 B13R1.167 CC1CCCC1OCCCN(C)C 7a_100011216460_100000757444 [0,1,0,1,0,0|2,0,0]=4 26884 B13R1.167 CC1CCCC1OCCNC(=O)N 7a_100011216460_200000034859 [0,1,0,1,0,0|2,0,0]=4 26885 B13R1.167 CC1CCCC1OCCOC(=O)N 34a_100011216460_200011214921 [0,1,0,1,0,0|2,0,0]=4 26886 B13R1.167 CC1CCCC1OCCOC(=O)N 7a_100011216460_200011214921 [0,1,0,1,0,0|2,0,0]=4 26887 B13R1.167 CC1OCCC1NCCCS(=O)C 270004a_200000753449_100000691750 [0,1,0,1,0,0|2,0,0]=4 26888 B13R1.167 CN1CCCC1CCNCC(=O)N 2230a_100000711301_100000005710 [0,1,0,1,0,0|2,0,0]=4 26889 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,1,0,1,0,0|2,0,0]=4 26890 B13R1.167 CN1CCCC1CCOCC(=O)N 34a_100011215177_100000187820 [0,1,0,1,0,0|2,0,0]=4 26891 B13R1.167 CN1CCCC1CCOCC(=O)N 7a_100011215177_100000187820 [0,1,0,1,0,0|2,0,0]=4 26892 B13R1.167 CN1CCCC1CCOCC(=O)[O-] 34a_100011215177_100020667443 [0,1,0,1,0,0|2,0,0]=4 26893 B13R1.167 CN1CCCC1CCSCC(=O)N 62a_100000005710_100000747473 [0,1,0,1,0,0|2,0,0]=4 26894 B13R1.167 CN1CCCC1CCSCC(=O)N 62a_100000747473_100000005710 [0,1,0,1,0,0|2,0,0]=4 26895 B13R1.167 CN1CCCC1CCSCC(=O)[O-] 62a_100000005710_100020667443 [0,1,0,1,0,0|2,0,0]=4 26896 B13R1.167 CN1CCCC1CCSCC(=O)[O-] 62a_100020667443_100000005710 [0,1,0,1,0,0|2,0,0]=4 26897 B13R1.167 CN1CCCC1COCCC(=O)N 34a_100000743107_100000731001 [0,1,0,1,0,0|2,0,0]=4 26898 B13R1.167 C[C@@H]1CCCN1CCCCN(C)C 269982a_100015189458_100000690147 [0,1,0,1,0,0|2,0,0]=4 26899 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 2230a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 26900 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 269982a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 26901 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 34a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 26902 B13R1.167 C[C@@H]1CNC[C@@H]1OCCCC(=O)N 34a_200015306588_100102525003 [0,1,0,1,0,0|2,0,0]=4 26903 B13R1.167 C[C@H]1CCCN1CCCCN(C)C 269982a_100020605311_100000690147 [0,1,0,1,0,0|2,0,0]=4 26904 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 2230a_100020605311_100000076697 [0,1,0,1,0,0|2,0,0]=4 26905 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 269982a_100020605311_100000076697 [0,1,0,1,0,0|2,0,0]=4 26906 B13R1.167 NC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100102525003 [0,1,0,1,0,0|2,0,0]=4 26907 B13R1.167 NC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100102525003 [0,1,0,1,0,0|2,0,0]=4 26908 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100102525003_200016002552 [0,1,0,1,0,0|2,0,0]=4 26909 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100102525003 [0,1,0,1,0,0|2,0,0]=4 26910 B13R1.193 CCCCCCN1CCCC1(C)C 2230a_100000761399_100000210314 [0,1,0,1,0,0|1,0,1]=4 26911 B13R1.193 CCCCCCN1CCCC1(C)C 269982a_100000761399_100000210757 [0,1,0,1,0,0|1,0,1]=4 26912 B13R1.193 CCCCCCN1CCCC1(C)C 34a_100000761399_100000210314 [0,1,0,1,0,0|1,0,1]=4 26913 B13R1.193 CCCCCNC1CCCC1(C)C 269862a_100000209983_100000065263 [0,1,0,1,0,0|1,0,1]=4 26914 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210326 [0,1,0,1,0,0|0,0,2]=4 26915 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000718602 [0,1,0,1,0,0|0,0,2]=4 26916 B13R1.193 CCCCCOC1CCCC1(C)C 34a_100000726220_100000718602 [0,1,0,1,0,0|1,0,1]=4 26917 B13R1.193 CCCCCOC1CCCC1(C)C 7a_100000726220_100000210326 [0,1,0,1,0,0|1,0,1]=4 26918 B13R1.218 COCC1CCN1CCCC(=O)C 269982a_100015195929_100011215641 [0,1,0,1,0,0|1,0,0]=3 26919 B13R1.218 COCC1CCN1CCCC(=O)C 34a_100015195929_100000685027 [0,1,0,1,0,0|1,0,0]=3 26920 B13R1.218 COCC1CCN1CCCC(=O)N 269982a_100015195929_100102525003 [0,1,0,1,0,0|2,0,0]=4 26921 B13R1.218 COCC1CCN1CCCC(=O)N 34a_100015195929_100102525003 [0,1,0,1,0,0|2,0,0]=4 26922 B13R1.218 COCC1CCN1CCNC(=O)C 2230a_100015195929_100000189650 [0,1,0,1,0,0|2,0,0]=4 26923 B13R1.218 COCC1CCN1CCNC(=O)C 269982a_100015195929_100000189650 [0,1,0,1,0,0|2,0,0]=4 26924 B13R1.218 COCC1CCN1CCOC(=O)C 269982a_100015195929_100009814007 [0,1,0,1,0,0|2,0,0]=4 26925 B13R1.218 COCC1CCN1CCOC(=O)C 34a_100015195929_100009814007 [0,1,0,1,0,0|2,0,0]=4 26926 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,1,0,1,0,0|1,0,0]=3 26927 B13R1.224 CCCN1CCCCCC1C(C)C 2230a_100000697956_100000210303 [0,1,0,1,0,0|1,0,1]=4 26928 B13R1.224 CCCN1CCCCCC1C(C)C 269982a_100000697956_100000210303 [0,1,0,1,0,0|1,0,1]=4 26929 B13R1.224 CCCN1CCCCCC1C(C)C 34a_100000697956_100000210303 [0,1,0,1,0,0|1,0,1]=4 26930 B13R1.224 COCN1CCCCCC1C(=O)O 269956a_100000758484_100000766300 [0,1,0,1,0,0|2,0,0]=4 26931 B13R1.224 CSCN1CCCCCC1C(=O)O 269956a_100000758484_100011218213 [0,1,0,1,0,0|2,0,0]=4 26932 B13R1.224 O=C(O)C1CCCCCN1CCF 269956a_100000758484_100011217306 [0,1,0,1,0,0|2,0,0]=4 26933 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [0,1,0,1,0,0|2,0,0]=4 26934 B13R1.343 C=C(Br)CCOCCC1CCCC1 34a_100009813270_100000760354 [0,1,0,1,0,0|1,0,1]=4 26935 B13R1.343 C=C(C)CCNCCC1CCCC1 2230a_100000739158_100000730704 [0,1,0,1,0,0|1,0,0]=3 26936 B13R1.343 C=C(C)CCNCCC1CCCC1 34a_100000739158_100000730704 [0,1,0,1,0,0|1,0,0]=3 26937 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000749090_100000730704 [0,1,0,1,0,0|1,0,0]=3 26938 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000764851_100000760354 [0,1,0,1,0,0|1,0,0]=3 26939 B13R1.343 C=C(C)CCOCCC1CCCC1 7a_100000749090_100000730704 [0,1,0,1,0,0|1,0,0]=3 26940 B13R1.343 C=C(C)CCOCCC1CCNC1 34a_100016987287_100000730704 [0,1,0,1,0,0|2,0,0]=4 26941 B13R1.343 C=C(C)CCOCCC1CCOC1 34a_100011879284_100000730704 [0,1,0,1,0,0|2,0,0]=4 26942 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000730704_100000760354 [0,1,0,1,0,0|1,0,0]=3 26943 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000760354_100000730704 [0,1,0,1,0,0|1,0,0]=3 26944 B13R1.343 C=C(C)CCSCCN1CCCC1 62a_100000700749_100000730704 [0,1,0,1,0,0|2,0,0]=4 26945 B13R1.343 C=C(C)CCSCCN1CCCC1 62a_100000730704_100000004467 [0,1,0,1,0,0|2,0,0]=4 26946 B13R1.343 C=C(C)CNCCCC1CCCC1 2230a_100000736752_100000748629 [0,1,0,1,0,0|1,0,0]=3 26947 B13R1.343 C=C(C)CNCCCC1CCCC1 34a_100000736752_100000748629 [0,1,0,1,0,0|1,0,0]=3 26948 B13R1.343 C=C(C)CNCCOC1CCCC1 34a_100000741755_100000748629 [0,1,0,1,0,0|2,0,0]=4 26949 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100000210245_100011713738 [0,1,0,1,0,0|1,0,0]=3 26950 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100011215328_100000748629 [0,1,0,1,0,0|1,0,0]=3 26951 B13R1.343 C=C(C)COCCCC1CCCC1 7a_100011215328_100000748629 [0,1,0,1,0,0|1,0,0]=3 26952 B13R1.343 C=C(C)COCCCN1CCCC1 34a_100000210245_100016991639 [0,1,0,1,0,0|2,0,0]=4 26953 B13R1.343 C=C(C)COCCNC1CCCC1 34a_200000200444_100000748629 [0,1,0,1,0,0|2,0,0]=4 26954 B13R1.343 C=C(C)COCCOC1CCCC1 34a_100000738311_100000748629 [0,1,0,1,0,0|2,0,0]=4 26955 B13R1.343 C=C(C)COCCOC1CCCC1 7a_100000738311_100000748629 [0,1,0,1,0,0|2,0,0]=4 26956 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100000748629_100011713738 [0,1,0,1,0,0|1,0,0]=3 26957 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100011713738_100000211660 [0,1,0,1,0,0|1,0,0]=3 26958 B13R1.343 C=C(C)CSCCCN1CCCC1 62a_100000748629_100011445909 [0,1,0,1,0,0|2,0,0]=4 26959 B13R1.343 C=C(C)CSCCCN1CCCC1 62a_100016991639_100000211660 [0,1,0,1,0,0|2,0,0]=4 26960 B13R1.343 C=C(F)CNCCCC1CCCC1 2230a_100000736752_100009893438 [0,1,0,1,0,0|1,0,1]=4 26961 B13R1.343 C=C(F)CNCCCC1CCCC1 34a_100000736752_100009893438 [0,1,0,1,0,0|1,0,1]=4 26962 B13R1.343 C=C(F)COCCCC1CCCC1 34a_100011215328_100009893438 [0,1,0,1,0,0|1,0,1]=4 26963 B13R1.343 C=C(F)COCCCC1CCCC1 34a_200010262243_100011713738 [0,1,0,1,0,0|1,0,1]=4 26964 B13R1.343 C=C(F)COCCCC1CCCC1 7a_100011215328_100000042424 [0,1,0,1,0,0|1,0,1]=4 26965 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100000042424_100011713738 [0,1,0,1,0,0|1,0,1]=4 26966 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100011713738_100000042424 [0,1,0,1,0,0|1,0,1]=4 26967 B13R1.343 CC(=CCCNCC1CCCC1)C 2230a_100000737975_100011217483 [0,1,0,1,0,0|1,0,1]=4 26968 B13R1.343 CC(=CCCNCC1CCCC1)C 34a_100000737975_100011217483 [0,1,0,1,0,0|1,0,1]=4 26969 B13R1.343 CC(=CCCOCC1CCCC1)C 34a_100000742336_100011217483 [0,1,0,1,0,0|1,0,1]=4 26970 B13R1.343 CC(=CCCOCC1CCCC1)C 7a_100000742336_100011217483 [0,1,0,1,0,0|1,0,1]=4 26971 B13R1.343 CC(=CCCSCC1CCCC1)C 62a_100000740388_100011217483 [0,1,0,1,0,0|1,0,1]=4 26972 B13R1.343 CC(=CCCSCC1CCCC1)C 62a_100011217483_100000740388 [0,1,0,1,0,0|1,0,1]=4 26973 B13R1.343 CC(=CCNCCC1CCCC1)C 2230a_100000739158_100000761012 [0,1,0,1,0,0|1,0,1]=4 26974 B13R1.343 CC(=CCNCCC1CCCC1)C 34a_100000718196_100000760354 [0,1,0,1,0,0|1,0,1]=4 26975 B13R1.343 CC(=CCNCCC1CCCC1)C 34a_100000739158_100000761012 [0,1,0,1,0,0|1,0,1]=4 26976 B13R1.343 CC(=CCOCCC1CCCC1)C 34a_100000749090_100000761012 [0,1,0,1,0,0|1,0,1]=4 26977 B13R1.343 CC(=CCOCCC1CCCC1)C 34a_100000753907_100000760354 [0,1,0,1,0,0|1,0,1]=4 26978 B13R1.343 CC(=CCOCCC1CCCC1)C 7a_100000749090_100000761012 [0,1,0,1,0,0|1,0,1]=4 26979 B13R1.343 CC(=CCSCCC1CCCC1)C 62a_100000760354_100000761012 [0,1,0,1,0,0|1,0,1]=4 26980 B13R1.343 CC(=CCSCCC1CCCC1)C 62a_100000761012_100000760354 [0,1,0,1,0,0|1,0,1]=4 26981 B13R1.343 CC(=O)CCCCNC1CCCC1 34a_100000211070_100009817362 [0,1,0,1,0,0|0,0,0]=2 26982 B13R1.343 CC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100009817362 [0,1,0,1,0,0|1,0,0]=3 26983 B13R1.343 CC(=O)CCCCOC1CCCC1 34a_100000210269_100009817362 [0,1,0,1,0,0|0,0,0]=2 26984 B13R1.343 CC(=O)CCCCOC1CCCC1 7a_100000210269_100000735457 [0,1,0,1,0,0|0,0,0]=2 26985 B13R1.343 CC(=O)CCCCOC1CCCO1 34a_100000085407_100009817362 [0,1,0,1,0,0|1,0,0]=3 26986 B13R1.343 CC(=O)CCCCOC1CCSC1 7a_100011232664_100000735457 [0,1,0,1,0,0|1,0,0]=3 26987 B13R1.343 CC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100009817362 [0,1,0,1,0,0|1,0,0]=3 26988 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100000735457_100000179811 [0,1,0,1,0,0|0,0,0]=2 26989 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100011217020_100000735457 [0,1,0,1,0,0|0,0,0]=2 26990 B13R1.343 CC(=O)CCCCSC1CCOC1 62a_100000735457_100000690089 [0,1,0,1,0,0|1,0,0]=3 26991 B13R1.343 CC(=O)CCCNCC1CCCC1 34a_100000737975_100000685027 [0,1,0,1,0,0|0,0,0]=2 26992 B13R1.343 CC(=O)CCCNCC1CCOC1 34a_100000737293_100000685027 [0,1,0,1,0,0|1,0,0]=3 26993 B13R1.343 CC(=O)CCCNCC1OCCO1 34a_100000036311_100000685027 [0,1,0,1,0,0|2,0,0]=4 26994 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000685027 [0,1,0,1,0,0|1,0,0]=3 26995 B13R1.343 CC(=O)CCCOCC1CC=CC1 34a_100000688395_100000685027 [0,1,0,1,0,0|0,0,2]=4 26996 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000742336_100000685027 [0,1,0,1,0,0|0,0,0]=2 26997 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000759063_100000740388 [0,1,0,1,0,0|0,0,0]=2 26998 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000742336_100011215641 [0,1,0,1,0,0|0,0,0]=2 26999 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000759063_100000740388 [0,1,0,1,0,0|0,0,0]=2 27000 B13R1.343 CC(=O)CCCOCC1CCCO1 34a_100000210270_100000685027 [0,1,0,1,0,0|1,0,0]=3 27001 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000210270_100011215641 [0,1,0,1,0,0|1,0,0]=3 27002 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000759063_100000203698 [0,1,0,1,0,0|1,0,0]=3 27003 B13R1.343 CC(=O)CCCOCC1CCNC1 34a_100000748654_100000685027 [0,1,0,1,0,0|1,0,0]=3 27004 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000740260_100000685027 [0,1,0,1,0,0|1,0,0]=3 27005 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000759063_100011261433 [0,1,0,1,0,0|1,0,0]=3 27006 B13R1.343 CC(=O)CCCOCC1CCOC1 7a_100000759063_100000702531 [0,1,0,1,0,0|1,0,0]=3 27007 B13R1.343 CC(=O)CCCOCC1COCO1 34a_100011216627_100000685027 [0,1,0,1,0,0|2,0,0]=4 27008 B13R1.343 CC(=O)CCCOCC1OCCO1 34a_100000087154_100000685027 [0,1,0,1,0,0|2,0,0]=4 27009 B13R1.343 CC(=O)CCCOCC1OCCO1 34a_100000759063_100000755774 [0,1,0,1,0,0|2,0,0]=4 27010 B13R1.343 CC(=O)CCCOCC1OCCO1 7a_100000759063_100000755774 [0,1,0,1,0,0|2,0,0]=4 27011 B13R1.343 CC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100000685027 [0,1,0,1,0,0|1,0,0]=3 27012 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100000740388_100011215641 [0,1,0,1,0,0|0,0,0]=2 27013 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100011215641_100000740388 [0,1,0,1,0,0|0,0,0]=2 27014 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100000203698_100011215641 [0,1,0,1,0,0|1,0,0]=3 27015 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100011215641_100000203698 [0,1,0,1,0,0|1,0,0]=3 27016 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100000702531_100011215641 [0,1,0,1,0,0|1,0,0]=3 27017 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100011215641_100000702531 [0,1,0,1,0,0|1,0,0]=3 27018 B13R1.343 CC(=O)CCCSCC1OCCO1 62a_100000755774_100011215641 [0,1,0,1,0,0|2,0,0]=4 27019 B13R1.343 CC(=O)CCCSCC1OCCO1 62a_100011215641_100000755774 [0,1,0,1,0,0|2,0,0]=4 27020 B13R1.343 CC(=O)CCOCCC1CCCC1 34a_100000759926_100000760354 [0,1,0,1,0,0|0,0,0]=2 27021 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000749090_100000053229 [0,1,0,1,0,0|0,0,0]=2 27022 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000759926_100000760354 [0,1,0,1,0,0|0,0,0]=2 27023 B13R1.343 CC(=O)CCOCCC1OCCO1 34a_100000759926_100000740749 [0,1,0,1,0,0|2,0,0]=4 27024 B13R1.343 CC(=O)CCOCCC1OCCO1 7a_100000759926_100000740749 [0,1,0,1,0,0|2,0,0]=4 27025 B13R1.343 CC(=O)CCOCCN1CCCC1 7a_100000759926_100000004467 [0,1,0,1,0,0|1,0,0]=3 27026 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000053229_100000760354 [0,1,0,1,0,0|0,0,0]=2 27027 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000760354_100000053229 [0,1,0,1,0,0|0,0,0]=2 27028 B13R1.343 CC(=O)CCSCCC1OCCO1 62a_100000053229_100000740749 [0,1,0,1,0,0|2,0,0]=4 27029 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000053229_100000004467 [0,1,0,1,0,0|1,0,0]=3 27030 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000700749_100000053229 [0,1,0,1,0,0|1,0,0]=3 27031 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [0,1,0,1,0,0|0,0,0]=2 27032 B13R1.343 CC(=O)COCCCC1OCCO1 34a_100000211253_100009861162 [0,1,0,1,0,0|2,0,0]=4 27033 B13R1.343 CC(=O)COCCCN1CCCC1 34a_100000211253_100016991639 [0,1,0,1,0,0|1,0,0]=3 27034 B13R1.343 CC(=O)NCCCCN1CCCC1 1626a_100000740493_100015343762 [0,1,0,1,0,0|1,0,0]=3 27035 B13R1.343 CC(=O)NCCCCN1CCCC1 240690a_100000740493_100015343762 [0,1,0,1,0,0|1,0,0]=3 27036 B13R1.343 CC(=O)NCCCNC1CCCC1 270004a_100000736810_100000210133 [0,1,0,1,0,0|1,0,0]=3 27037 B13R1.343 CC(=O)NCCCNC1CCCC1 34a_100000736810_100000179811 [0,1,0,1,0,0|1,0,0]=3 27038 B13R1.343 CC(=O)NCCCNC1CCOC1 270004a_100000736810_100000752484 [0,1,0,1,0,0|2,0,0]=4 27039 B13R1.343 CC(=O)NCCCNC1CCOC1 34a_100000736810_100000690089 [0,1,0,1,0,0|2,0,0]=4 27040 B13R1.343 CC(=O)NCCCNC1CCSC1 270004a_100000736810_100000212027 [0,1,0,1,0,0|2,0,0]=4 27041 B13R1.343 CC(=O)NCCCOC1CCCC1 11a_100000747560_100015343762 [0,1,0,1,0,0|1,0,0]=3 27042 B13R1.343 CC(=O)NCCCOC1CCCC1 1626a_100000747560_100015343762 [0,1,0,1,0,0|1,0,0]=3 27043 B13R1.343 CC(=O)NCCCOC1CCCC1 240690a_100000747560_100015343762 [0,1,0,1,0,0|1,0,0]=3 27044 B13R1.343 CC(=O)NCCCOC1CCCC1 34a_100000752032_100000179811 [0,1,0,1,0,0|1,0,0]=3 27045 B13R1.343 CC(=O)NCCCOC1CCCC1 527a_100000747560_100103153847 [0,1,0,1,0,0|1,0,0]=3 27046 B13R1.343 CC(=O)NCCCOC1CCOC1 34a_100000752032_100000690089 [0,1,0,1,0,0|2,0,0]=4 27047 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000209853_100000740388 [0,1,0,1,0,0|1,0,0]=3 27048 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000737975_100000189650 [0,1,0,1,0,0|1,0,0]=3 27049 B13R1.343 CC(=O)NCCNCC1CCCC1 269862a_100000209853_100000746403 [0,1,0,1,0,0|1,0,0]=3 27050 B13R1.343 CC(=O)NCCNCC1CCCO1 2230a_100000209853_100000203698 [0,1,0,1,0,0|2,0,0]=4 27051 B13R1.343 CC(=O)NCCNCC1CCOC1 2230a_100000209853_100000702531 [0,1,0,1,0,0|2,0,0]=4 27052 B13R1.343 CC(=O)NCCNCC1CCOC1 2230a_100000737293_100000189650 [0,1,0,1,0,0|2,0,0]=4 27053 B13R1.343 CC(=O)NCCNC[C@@H]1CCCO1 2230a_100020590478_100000189650 [0,1,0,1,0,0|2,0,0]=4 27054 B13R1.343 CC(=O)NCCOCC1CCCC1 34a_100000158858_100000740388 [0,1,0,1,0,0|1,0,0]=3 27055 B13R1.343 CC(=O)NCCOCC1CCCC1 7a_100000742336_100000189650 [0,1,0,1,0,0|1,0,0]=3 27056 B13R1.343 CC(=O)NCCOCC1CCCO1 7a_100000210270_100000189650 [0,1,0,1,0,0|2,0,0]=4 27057 B13R1.343 CC(=O)NCCOCC1CCOC1 34a_100000158858_100011261433 [0,1,0,1,0,0|2,0,0]=4 27058 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000189650_100000740388 [0,1,0,1,0,0|1,0,0]=3 27059 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000740388_100000189650 [0,1,0,1,0,0|1,0,0]=3 27060 B13R1.343 CC(=O)NCCSCC1CCCO1 62a_100000189650_100000203698 [0,1,0,1,0,0|2,0,0]=4 27061 B13R1.343 CC(=O)NCCSCC1CCCO1 62a_100000203698_100000189650 [0,1,0,1,0,0|2,0,0]=4 27062 B13R1.343 CC(=O)NCCSCC1CCOC1 62a_100000189650_100000702531 [0,1,0,1,0,0|2,0,0]=4 27063 B13R1.343 CC(=O)NCCSCC1CCOC1 62a_100000702531_100000189650 [0,1,0,1,0,0|2,0,0]=4 27064 B13R1.343 CC(=O)NN=CCCC1CCCC1 4a_100000189765_100011713431 [0,1,0,1,0,0|1,0,1]=4 27065 B13R1.343 CC(=O)OCCCCN1CCCC1 269982a_100000188435_100000033659 [0,1,0,1,0,0|1,0,0]=3 27066 B13R1.343 CC(=O)OCCCCN1CCSC1 269982a_100011215254_100000033659 [0,1,0,1,0,0|2,0,0]=4 27067 B13R1.343 CC(=O)OCCCNC1CCCC1 34a_100000211070_100000042594 [0,1,0,1,0,0|1,0,0]=3 27068 B13R1.343 CC(=O)OCCCN[C@H]1CCOC1 34a_100015188467_100000042594 [0,1,0,1,0,0|2,0,0]=4 27069 B13R1.343 CC(=O)OCCCOC1CCCC1 34a_100000210269_100000042594 [0,1,0,1,0,0|1,0,0]=3 27070 B13R1.343 CC(=O)OCCCOC1CCCC1 7a_100000210269_100000042594 [0,1,0,1,0,0|1,0,0]=3 27071 B13R1.343 CC(=O)OCCCOC1CCCO1 34a_100000085407_100000042594 [0,1,0,1,0,0|2,0,0]=4 27072 B13R1.343 CC(=O)OCCCOC1CCSC1 7a_100011232664_100000042594 [0,1,0,1,0,0|2,0,0]=4 27073 B13R1.343 CC(=O)OCCCO[C@H]1CCOC1 34a_100000717292_100000042594 [0,1,0,1,0,0|2,0,0]=4 27074 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100000042594_100000179811 [0,1,0,1,0,0|1,0,0]=3 27075 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100011217020_100000042594 [0,1,0,1,0,0|1,0,0]=3 27076 B13R1.343 CC(=O)OCCCSC1CCOC1 62a_100000042594_100000690089 [0,1,0,1,0,0|2,0,0]=4 27077 B13R1.343 CC(=O)OCCNCC1CCCC1 34a_100000737975_100009814007 [0,1,0,1,0,0|1,0,0]=3 27078 B13R1.343 CC(=O)OCCNCC1CCOC1 34a_100000737293_100009814007 [0,1,0,1,0,0|2,0,0]=4 27079 B13R1.343 CC(=O)OCCNC[C@@H]1CCCO1 34a_100020590478_100009814007 [0,1,0,1,0,0|2,0,0]=4 27080 B13R1.343 CC(=O)OCCOCC1CCCC1 34a_100000742336_100009814007 [0,1,0,1,0,0|1,0,0]=3 27081 B13R1.343 CC(=O)OCCOCC1CCCC1 7a_100000742336_100009814007 [0,1,0,1,0,0|1,0,0]=3 27082 B13R1.343 CC(=O)OCCOCC1CCCO1 34a_100000210270_100009814007 [0,1,0,1,0,0|2,0,0]=4 27083 B13R1.343 CC(=O)OCCOCC1CCCO1 7a_100000210270_100009814007 [0,1,0,1,0,0|2,0,0]=4 27084 B13R1.343 CC(=O)OCCOCC1CCNC1 34a_100000748654_100009814007 [0,1,0,1,0,0|2,0,0]=4 27085 B13R1.343 CC(=O)OCCOCC1CCOC1 34a_100000740260_100009814007 [0,1,0,1,0,0|2,0,0]=4 27086 B13R1.343 CC(=O)OCCOCN1CCCC1 269982a_100000188435_100000076355 [0,1,0,1,0,0|2,0,0]=4 27087 B13R1.343 CC(=O)OCCOC[C@H]1CCCN1 34a_100000745186_100009814007 [0,1,0,1,0,0|2,0,0]=4 27088 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100000740388_100009814007 [0,1,0,1,0,0|1,0,0]=3 27089 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100009814007_100000740388 [0,1,0,1,0,0|1,0,0]=3 27090 B13R1.343 CC(=O)OCCSCC1CCCO1 62a_100000203698_100009814007 [0,1,0,1,0,0|2,0,0]=4 27091 B13R1.343 CC(=O)OCCSCC1CCCO1 62a_100009814007_100000203698 [0,1,0,1,0,0|2,0,0]=4 27092 B13R1.343 CC(=O)OCCSCC1CCOC1 62a_100000702531_100009814007 [0,1,0,1,0,0|2,0,0]=4 27093 B13R1.343 CC(=O)OCCSCC1CCOC1 62a_100009814007_100000702531 [0,1,0,1,0,0|2,0,0]=4 27094 B13R1.343 CC(=O)OCNCCC1CCCC1 34a_100000739158_100009813279 [0,1,0,1,0,0|1,0,0]=3 27095 B13R1.343 CC(=O)OCOCCC1CCCC1 34a_100000749090_100009813279 [0,1,0,1,0,0|1,0,0]=3 27096 B13R1.343 CC(=O)OCOCCC1CCNC1 34a_100016987287_100009813279 [0,1,0,1,0,0|2,0,0]=4 27097 B13R1.343 CC(=O)OCOCCC1CCOC1 34a_100011879284_100009813279 [0,1,0,1,0,0|2,0,0]=4 27098 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000076356_100000760354 [0,1,0,1,0,0|1,0,0]=3 27099 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000760354_100000076356 [0,1,0,1,0,0|1,0,0]=3 27100 B13R1.343 CC(=O)OCSCCN1CCCC1 62a_100000076356_100000004467 [0,1,0,1,0,0|2,0,0]=4 27101 B13R1.343 CC(=O)OCSCCN1CCCC1 62a_100000700749_100000076356 [0,1,0,1,0,0|2,0,0]=4 27102 B13R1.343 CC(=O)SCCCCN1CCCC1 2230a_100000188435_200010402107 [0,1,0,1,0,0|1,0,0]=3 27103 B13R1.343 CC(=O)SCCCCN1CCCC1 269982a_100000188435_200010402107 [0,1,0,1,0,0|1,0,0]=3 27104 B13R1.343 CC(=O)SCCCCN1CCSC1 2230a_100011215254_200010402107 [0,1,0,1,0,0|2,0,0]=4 27105 B13R1.343 CC(=O)SCCCCN1CCSC1 269982a_100011215254_200010402107 [0,1,0,1,0,0|2,0,0]=4 27106 B13R1.343 CC(=O)SCCCNC1CCCC1 2230a_100000211070_100000038929 [0,1,0,1,0,0|1,0,0]=3 27107 B13R1.343 CC(=O)SCCCNC1CCCC1 34a_100000211070_100000038929 [0,1,0,1,0,0|1,0,0]=3 27108 B13R1.343 CC(=O)SCCCN[C@@H]1CCOC1 2230a_200015188469_100000038929 [0,1,0,1,0,0|2,0,0]=4 27109 B13R1.343 CC(=O)SCCCN[C@H]1CCOC1 2230a_100015188467_100000038929 [0,1,0,1,0,0|2,0,0]=4 27110 B13R1.343 CC(=O)SCCCN[C@H]1CCOC1 34a_100015188467_100000038929 [0,1,0,1,0,0|2,0,0]=4 27111 B13R1.343 CC(=O)SCCCOC1CCCC1 34a_100000210269_100000038929 [0,1,0,1,0,0|1,0,0]=3 27112 B13R1.343 CC(=O)SCCCOC1CCCC1 7a_100000210269_100000038929 [0,1,0,1,0,0|1,0,0]=3 27113 B13R1.343 CC(=O)SCCCOC1CCCO1 34a_100000085407_100000038929 [0,1,0,1,0,0|2,0,0]=4 27114 B13R1.343 CC(=O)SCCCOC1CCSC1 7a_100011232664_100000038929 [0,1,0,1,0,0|2,0,0]=4 27115 B13R1.343 CC(=O)SCCCO[C@H]1CCOC1 34a_100000717292_100000038929 [0,1,0,1,0,0|2,0,0]=4 27116 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100000038929_100000179811 [0,1,0,1,0,0|1,0,0]=3 27117 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100011217020_100000038929 [0,1,0,1,0,0|1,0,0]=3 27118 B13R1.343 CC(=O)SCCCSC1CCOC1 62a_100000038929_100000690089 [0,1,0,1,0,0|2,0,0]=4 27119 B13R1.343 CC(=O)SCCNCC1CCCC1 269862a_100020647217_100000746403 [0,1,0,1,0,0|1,0,0]=3 27120 B13R1.343 CC(=S)OCCCNC1CCCC1 2230a_100000211070_200135323944 [0,1,0,1,0,0|1,1,0]=4 27121 B13R1.343 CC(=S)OCCCNC1CCCC1 34a_100000211070_200135323944 [0,1,0,1,0,0|1,1,0]=4 27122 B13R1.343 CC(=S)OCCCOC1CCCC1 34a_100000210269_200135323944 [0,1,0,1,0,0|1,1,0]=4 27123 B13R1.343 CC(=S)OCCCOC1CCCC1 7a_100000210269_200135323944 [0,1,0,1,0,0|1,1,0]=4 27124 B13R1.343 CC(=S)OCCCSC1CCCC1 62a_100011217020_200135323944 [0,1,0,1,0,0|1,1,0]=4 27125 B13R1.343 CC(=S)OCCCSC1CCCC1 62a_200135323944_100000179811 [0,1,0,1,0,0|1,1,0]=4 27126 B13R1.343 CC(Br)CCOCCC1CCCC1 34a_100009893172_100000760354 [0,1,0,1,0,0|1,0,1]=4 27127 B13R1.343 CC(Br)COCCCC1CCCC1 34a_100012180447_100011713738 [0,1,0,1,0,0|1,0,1]=4 27128 B13R1.343 CC(C)CCCCCN1CCCC1 2230a_100000188435_100000210682 [0,1,0,1,0,0|1,0,1]=4 27129 B13R1.343 CC(C)CCCCCN1CCCC1 269982a_100000188435_100000210682 [0,1,0,1,0,0|1,0,1]=4 27130 B13R1.343 CC(C)CCCCNC1CCCC1 2230a_100000211070_100011216152 [0,1,0,1,0,0|1,0,1]=4 27131 B13R1.343 CC(C)CCCCNC1CCCC1 34a_100000211070_100011216152 [0,1,0,1,0,0|1,0,1]=4 27132 B13R1.343 CC(C)CCCCOC1CCCC1 34a_100000210269_100011216152 [0,1,0,1,0,0|1,0,1]=4 27133 B13R1.343 CC(C)CCCCOC1CCCC1 34a_100011214890_100000179811 [0,1,0,1,0,0|1,0,1]=4 27134 B13R1.343 CC(C)CCCCOC1CCCC1 7a_100000210269_100011216152 [0,1,0,1,0,0|1,0,1]=4 27135 B13R1.343 CC(C)CCCCOC1CCCC1 7a_100011214890_100000179811 [0,1,0,1,0,0|1,0,1]=4 27136 B13R1.343 CC(C)CCCCSC1CCCC1 62a_100011216152_100000179811 [0,1,0,1,0,0|1,0,1]=4 27137 B13R1.343 CC(C)CCCCSC1CCCC1 62a_100011217020_100011216152 [0,1,0,1,0,0|1,0,1]=4 27138 B13R1.343 CC(C)CCCNCC1CCCC1 2230a_100000737975_100011214892 [0,1,0,1,0,0|1,0,1]=4 27139 B13R1.343 CC(C)CCCNCC1CCCC1 2230a_200000737386_100000740388 [0,1,0,1,0,0|1,0,1]=4 27140 B13R1.343 CC(C)CCCNCC1CCCC1 269862a_200000737386_100000746403 [0,1,0,1,0,0|1,0,1]=4 27141 B13R1.343 CC(C)CCCNCC1CCCC1 34a_100000737975_100011214892 [0,1,0,1,0,0|1,0,1]=4 27142 B13R1.343 CC(C)CCCNCC1CCCC1 34a_200000737386_100000740388 [0,1,0,1,0,0|1,0,1]=4 27143 B13R1.343 CC(C)CCCOCC1CCCC1 34a_100000210774_100000740388 [0,1,0,1,0,0|1,0,1]=4 27144 B13R1.343 CC(C)CCCOCC1CCCC1 34a_100000742336_100011214892 [0,1,0,1,0,0|1,0,1]=4 27145 B13R1.343 CC(C)CCCOCC1CCCC1 7a_100000210774_100000740388 [0,1,0,1,0,0|1,0,1]=4 27146 B13R1.343 CC(C)CCCOCC1CCCC1 7a_100000742336_100011214892 [0,1,0,1,0,0|1,0,1]=4 27147 B13R1.343 CC(C)CCCSCC1CCCC1 62a_100000740388_100011214892 [0,1,0,1,0,0|1,0,1]=4 27148 B13R1.343 CC(C)CCCSCC1CCCC1 62a_100011214892_100000740388 [0,1,0,1,0,0|1,0,1]=4 27149 B13R1.343 CC(C)CCNCCC1CCCC1 2230a_100000739158_100000210312 [0,1,0,1,0,0|1,0,1]=4 27150 B13R1.343 CC(C)CCNCCC1CCCC1 269862a_100000739158_100000185833 [0,1,0,1,0,0|1,0,1]=4 27151 B13R1.343 CC(C)CCNCCC1CCCC1 34a_100000739158_100000210312 [0,1,0,1,0,0|1,0,1]=4 27152 B13R1.343 CC(C)CCOCCC1CCCC1 34a_100000210254_100000760354 [0,1,0,1,0,0|1,0,1]=4 27153 B13R1.343 CC(C)CCOCCC1CCCC1 34a_100000749090_100000210312 [0,1,0,1,0,0|1,0,1]=4 27154 B13R1.343 CC(C)CCOCCC1CCCC1 7a_100000210254_100000760354 [0,1,0,1,0,0|1,0,1]=4 27155 B13R1.343 CC(C)CCOCCC1CCCC1 7a_100000749090_100000210626 [0,1,0,1,0,0|1,0,1]=4 27156 B13R1.343 CC(C)CCSCCC1CCCC1 62a_100000210312_100000760354 [0,1,0,1,0,0|1,0,1]=4 27157 B13R1.343 CC(C)CCSCCC1CCCC1 62a_100000760354_100000210312 [0,1,0,1,0,0|1,0,1]=4 27158 B13R1.343 CC(C)CNCCCC1CCCC1 2230a_100000210953_100011713738 [0,1,0,1,0,0|1,0,1]=4 27159 B13R1.343 CC(C)CNCCCC1CCCC1 2230a_100000736752_100000210760 [0,1,0,1,0,0|1,0,1]=4 27160 B13R1.343 CC(C)CNCCCC1CCCC1 270004a_100000736752_100000210432 [0,1,0,1,0,0|1,0,1]=4 27161 B13R1.343 CC(C)CNCCCC1CCCC1 34a_100000210953_100011713738 [0,1,0,1,0,0|1,0,1]=4 27162 B13R1.343 CC(C)CNCCCC1CCCC1 34a_100000736752_100000210624 [0,1,0,1,0,0|1,0,1]=4 27163 B13R1.343 CC(C)COCCCC1CCCC1 34a_100000210257_100011713738 [0,1,0,1,0,0|1,0,1]=4 27164 B13R1.343 CC(C)COCCCC1CCCC1 34a_100011215328_100000210624 [0,1,0,1,0,0|1,0,1]=4 27165 B13R1.343 CC(C)COCCCC1CCCC1 7a_100011215328_100000210760 [0,1,0,1,0,0|1,0,1]=4 27166 B13R1.343 CC(C)CSCCCC1CCCC1 62a_100000210624_100011713738 [0,1,0,1,0,0|1,0,1]=4 27167 B13R1.343 CC(C)CSCCCC1CCCC1 62a_100011713738_100000210760 [0,1,0,1,0,0|1,0,1]=4 27168 B13R1.343 CC(F)COCCCC1CCCC1 34a_100015925927_100011713738 [0,1,0,1,0,0|1,0,1]=4 27169 B13R1.343 CC(O)CCCNCC1CCCC1 2230a_100000737975_200000718107 [0,1,0,1,0,0|0,0,2]=4 27170 B13R1.343 CC(O)CCCNCC1CCCC1 34a_100000737975_200000718107 [0,1,0,1,0,0|0,0,2]=4 27171 B13R1.343 CC(O)CCCOCC1CCCC1 34a_100000742336_200000718107 [0,1,0,1,0,0|0,0,2]=4 27172 B13R1.343 CC(O)CCCOCC1CCCC1 7a_100000742336_200000718107 [0,1,0,1,0,0|0,0,2]=4 27173 B13R1.343 CC(O)CCCSCC1CCCC1 62a_100000740388_200000718107 [0,1,0,1,0,0|0,0,2]=4 27174 B13R1.343 CC(O)CCCSCC1CCCC1 62a_200000718107_100000740388 [0,1,0,1,0,0|0,0,2]=4 27175 B13R1.343 CC(O)CCNCCC1CCCC1 2230a_100000739158_100012276601 [0,1,0,1,0,0|0,0,2]=4 27176 B13R1.343 CC(O)CCNCCC1CCCC1 2230a_200000755665_100000760354 [0,1,0,1,0,0|0,0,2]=4 27177 B13R1.343 CC(O)CCNCCC1CCCC1 34a_100000739158_100012276601 [0,1,0,1,0,0|0,0,2]=4 27178 B13R1.343 CC(O)CCOCCC1CCCC1 34a_100000749090_100012276601 [0,1,0,1,0,0|0,0,2]=4 27179 B13R1.343 CC(O)CCOCCC1CCCC1 7a_100000749090_100012276601 [0,1,0,1,0,0|0,0,2]=4 27180 B13R1.343 CC(O)CCSCCC1CCCC1 62a_100000760354_100012276601 [0,1,0,1,0,0|0,0,2]=4 27181 B13R1.343 CC(O)CCSCCC1CCCC1 62a_100012276601_100000760354 [0,1,0,1,0,0|0,0,2]=4 27182 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000210904_100011713738 [0,1,0,1,0,0|0,0,2]=4 27183 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000736752_100011218427 [0,1,0,1,0,0|0,0,2]=4 27184 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000210904_100011713738 [0,1,0,1,0,0|0,0,2]=4 27185 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000736752_100011218427 [0,1,0,1,0,0|0,0,2]=4 27186 B13R1.343 CC(O)COCCCC1CCCC1 34a_100011215328_100011218427 [0,1,0,1,0,0|0,0,2]=4 27187 B13R1.343 CC(O)COCCCC1CCCC1 7a_100011215328_100011218427 [0,1,0,1,0,0|0,0,2]=4 27188 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011218427_100011713738 [0,1,0,1,0,0|0,0,2]=4 27189 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011713738_100011218427 [0,1,0,1,0,0|0,0,2]=4 27190 B13R1.343 CN(C)CCCCSC1CCCC1 62a_100011217020_100000690147 [0,1,0,1,0,0|2,0,0]=4 27191 B13R1.343 CN(C)CCCNCC1CCCC1 269862a_102531767803_100000746403 [0,1,0,1,0,0|2,0,0]=4 27192 B13R1.343 CN(C)CCCOCC1CCCC1 7a_100000742336_100000757444 [0,1,0,1,0,0|2,0,0]=4 27193 B13R1.343 CN(C)CCCSCC1CCCC1 62a_100000740388_100000757444 [0,1,0,1,0,0|2,0,0]=4 27194 B13R1.343 CN(C)CCOCCC1CCCC1 7a_100000749090_100000755713 [0,1,0,1,0,0|2,0,0]=4 27195 B13R1.343 CN(C)CCSCCC1CCCC1 62a_100000760354_100000755713 [0,1,0,1,0,0|2,0,0]=4 27196 B13R1.343 CS(=O)CCCNCC1CCCC1 2230a_200000753449_100000740388 [0,1,0,1,0,0|1,0,0]=3 27197 B13R1.343 CS(=O)CCCNCC1CCCO1 2230a_200000753449_100000203698 [0,1,0,1,0,0|2,0,0]=4 27198 B13R1.343 CS(=O)CCCNCC1CCOC1 2230a_200000753449_100000702531 [0,1,0,1,0,0|2,0,0]=4 27199 B13R1.343 C[C@@H](Cl)COCCCC1CCCC1 34a_100016084084_100011713738 [0,1,0,1,0,0|1,0,1]=4 27200 B13R1.343 C[C@@H](N)CCOCCC1CCCC1 34a_100000706166_100000760354 [0,1,0,1,0,0|1,0,1]=4 27201 B13R1.343 C[C@@H](N)COCCCC1CCCC1 34a_100000737577_100011713738 [0,1,0,1,0,0|1,0,1]=4 27202 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 2230a_100000736752_100009817552 [0,1,0,1,0,0|0,0,2]=4 27203 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 34a_100000736752_100009817552 [0,1,0,1,0,0|0,0,2]=4 27204 B13R1.343 C[C@@H](O)COCCCC1CCCC1 34a_100011215328_100009817552 [0,1,0,1,0,0|0,0,2]=4 27205 B13R1.343 C[C@@H](O)COCCCC1CCCC1 7a_100011215328_100009817552 [0,1,0,1,0,0|0,0,2]=4 27206 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100009817552_100011713738 [0,1,0,1,0,0|0,0,2]=4 27207 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100011713738_100009817552 [0,1,0,1,0,0|0,0,2]=4 27208 B13R1.343 NC(=O)CCCCCN1CCCC1 2230a_100000188435_100009817443 [0,1,0,1,0,0|1,0,0]=3 27209 B13R1.343 NC(=O)CCCCCN1CCCC1 269982a_100000188435_100009817443 [0,1,0,1,0,0|1,0,0]=3 27210 B13R1.343 NC(=O)CCCCCN1CCSC1 2230a_100011215254_100009817443 [0,1,0,1,0,0|2,0,0]=4 27211 B13R1.343 NC(=O)CCCCCN1CCSC1 269982a_100011215254_100009817443 [0,1,0,1,0,0|2,0,0]=4 27212 B13R1.343 NC(=O)CCCCNC1CCCC1 270004a_100000696515_100000210133 [0,1,0,1,0,0|1,0,0]=3 27213 B13R1.343 NC(=O)CCCCNC1CCCC1 34a_100000696515_100000179811 [0,1,0,1,0,0|1,0,0]=3 27214 B13R1.343 NC(=O)CCCCNC1CCOC1 270004a_100000696515_100000752484 [0,1,0,1,0,0|2,0,0]=4 27215 B13R1.343 NC(=O)CCCCNC1CCOC1 34a_100000696515_100000690089 [0,1,0,1,0,0|2,0,0]=4 27216 B13R1.343 NC(=O)CCCCNC1CCSC1 270004a_100000696515_100000212027 [0,1,0,1,0,0|2,0,0]=4 27217 B13R1.343 NC(=O)CCCCOC1CCCC1 34a_100012022536_100000179811 [0,1,0,1,0,0|1,0,0]=3 27218 B13R1.343 NC(=O)CCCCOC1CCCC1 7a_100012022536_100000179811 [0,1,0,1,0,0|1,0,0]=3 27219 B13R1.343 NC(=O)CCCCOC1CCOC1 34a_100012022536_100000690089 [0,1,0,1,0,0|2,0,0]=4 27220 B13R1.343 NC(=O)CCCCOC1CCOC1 7a_100012022536_100000731011 [0,1,0,1,0,0|2,0,0]=4 27221 B13R1.343 NC(=O)CCCNCC1CCCC1 269862a_100000739312_100000746403 [0,1,0,1,0,0|1,0,0]=3 27222 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000737975_100102525003 [0,1,0,1,0,0|1,0,0]=3 27223 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000739312_100000740388 [0,1,0,1,0,0|1,0,0]=3 27224 B13R1.343 NC(=O)CCCNCC1CCOC1 34a_100000737293_100102525003 [0,1,0,1,0,0|2,0,0]=4 27225 B13R1.343 NC(=O)CCCNCC1CCOC1 34a_100000739312_100011261433 [0,1,0,1,0,0|2,0,0]=4 27226 B13R1.343 NC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100102525003 [0,1,0,1,0,0|2,0,0]=4 27227 B13R1.343 NC(=O)CCCOCC1CCCC1 34a_100000742336_100102525003 [0,1,0,1,0,0|1,0,0]=3 27228 B13R1.343 NC(=O)CCCOCC1CCCC1 7a_100000742336_100102525003 [0,1,0,1,0,0|1,0,0]=3 27229 B13R1.343 NC(=O)CCCOCC1CCCO1 34a_100000210270_100102525003 [0,1,0,1,0,0|2,0,0]=4 27230 B13R1.343 NC(=O)CCCOCC1CCCO1 7a_100000210270_100102525003 [0,1,0,1,0,0|2,0,0]=4 27231 B13R1.343 NC(=O)CCCOCC1CCNC1 34a_100000748654_100102525003 [0,1,0,1,0,0|2,0,0]=4 27232 B13R1.343 NC(=O)CCCOCC1CCOC1 34a_100000740260_100102525003 [0,1,0,1,0,0|2,0,0]=4 27233 B13R1.343 NC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 27234 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100000740388_100102525003 [0,1,0,1,0,0|1,0,0]=3 27235 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100102525003_100000740388 [0,1,0,1,0,0|1,0,0]=3 27236 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100000203698_100102525003 [0,1,0,1,0,0|2,0,0]=4 27237 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100102525003_100000203698 [0,1,0,1,0,0|2,0,0]=4 27238 B13R1.343 NC(=O)CCCSCC1CCOC1 62a_100000702531_100102525003 [0,1,0,1,0,0|2,0,0]=4 27239 B13R1.343 NC(=O)CCCSCC1CCOC1 62a_100102525003_100000702531 [0,1,0,1,0,0|2,0,0]=4 27240 B13R1.343 NC(=O)CCNCCC1CCCC1 2230a_100000739158_100000744528 [0,1,0,1,0,0|1,0,0]=3 27241 B13R1.343 NC(=O)CCNCCC1CCCC1 34a_100000739158_100000731001 [0,1,0,1,0,0|1,0,0]=3 27242 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000749090_100000731001 [0,1,0,1,0,0|1,0,0]=3 27243 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000757172_100000760354 [0,1,0,1,0,0|1,0,0]=3 27244 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000749090_100000744528 [0,1,0,1,0,0|1,0,0]=3 27245 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000757172_100000760354 [0,1,0,1,0,0|1,0,0]=3 27246 B13R1.343 NC(=O)CCOCCC1CCNC1 34a_100016987287_100000731001 [0,1,0,1,0,0|2,0,0]=4 27247 B13R1.343 NC(=O)CCOCCC1CCOC1 34a_100011879284_100000731001 [0,1,0,1,0,0|2,0,0]=4 27248 B13R1.343 NC(=O)CCOCCN1CCCC1 7a_100000757172_100000004467 [0,1,0,1,0,0|2,0,0]=4 27249 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000744528_100000760354 [0,1,0,1,0,0|1,0,0]=3 27250 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000760354_100000744528 [0,1,0,1,0,0|1,0,0]=3 27251 B13R1.343 NC(=O)CCSCCN1CCCC1 62a_100000700749_100000744528 [0,1,0,1,0,0|2,0,0]=4 27252 B13R1.343 NC(=O)CCSCCN1CCCC1 62a_100000744528_100000004467 [0,1,0,1,0,0|2,0,0]=4 27253 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [0,1,0,1,0,0|1,0,0]=3 27254 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [0,1,0,1,0,0|1,0,0]=3 27255 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [0,1,0,1,0,0|1,0,0]=3 27256 B13R1.343 NC(=O)CNCCCN1CCCC1 2230a_100000711301_100011445909 [0,1,0,1,0,0|2,0,0]=4 27257 B13R1.343 NC(=O)CNCCOC1CCCC1 34a_100000741755_100000187820 [0,1,0,1,0,0|2,0,0]=4 27258 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [0,1,0,1,0,0|1,0,0]=3 27259 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [0,1,0,1,0,0|1,0,0]=3 27260 B13R1.343 NC(=O)COCCNC1CCCC1 2230a_100000211070_100000076697 [0,1,0,1,0,0|2,0,0]=4 27261 B13R1.343 NC(=O)COCCNC1CCCC1 34a_100000211070_100000076697 [0,1,0,1,0,0|2,0,0]=4 27262 B13R1.343 NC(=O)COCCNC1CCCC1 34a_200000200444_100000187820 [0,1,0,1,0,0|2,0,0]=4 27263 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000210269_100000076697 [0,1,0,1,0,0|2,0,0]=4 27264 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000738311_100000187820 [0,1,0,1,0,0|2,0,0]=4 27265 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000210269_100000076697 [0,1,0,1,0,0|2,0,0]=4 27266 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000738311_100000187820 [0,1,0,1,0,0|2,0,0]=4 27267 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100000076697_100000179811 [0,1,0,1,0,0|2,0,0]=4 27268 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100011217020_100000076697 [0,1,0,1,0,0|2,0,0]=4 27269 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [0,1,0,1,0,0|1,0,0]=3 27270 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [0,1,0,1,0,0|1,0,0]=3 27271 B13R1.343 NC(=O)CSCCCN1CCCC1 62a_100000747473_100011445909 [0,1,0,1,0,0|2,0,0]=4 27272 B13R1.343 NC(=O)CSCCCN1CCCC1 62a_100016991639_100000747473 [0,1,0,1,0,0|2,0,0]=4 27273 B13R1.343 NC(=O)NCCNCC1CCCC1 2230a_100000737975_200000034859 [0,1,0,1,0,0|2,0,0]=4 27274 B13R1.343 NC(=O)NCCNCC1CCCC1 269862a_100020590234_100000746403 [0,1,0,1,0,0|2,0,0]=4 27275 B13R1.343 NC(=O)NCCNCC1CCCC1 34a_100020590234_100000740388 [0,1,0,1,0,0|2,0,0]=4 27276 B13R1.343 NC(=O)NCCOCC1CCCC1 34a_100000181757_100000740388 [0,1,0,1,0,0|2,0,0]=4 27277 B13R1.343 NC(=O)NCCOCC1CCCC1 7a_100000742336_200000034859 [0,1,0,1,0,0|2,0,0]=4 27278 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_100000740388_200000034859 [0,1,0,1,0,0|2,0,0]=4 27279 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_200000034859_100000740388 [0,1,0,1,0,0|2,0,0]=4 27280 B13R1.343 NC(=O)OCCNCC1CCCC1 34a_100000737975_200011214921 [0,1,0,1,0,0|2,0,0]=4 27281 B13R1.343 NC(=O)OCCOCC1CCCC1 34a_100000742336_200011214921 [0,1,0,1,0,0|2,0,0]=4 27282 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000742336_200011214921 [0,1,0,1,0,0|2,0,0]=4 27283 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000766696_100000740388 [0,1,0,1,0,0|2,0,0]=4 27284 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_100000740388_200011214921 [0,1,0,1,0,0|2,0,0]=4 27285 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_200011214921_100000740388 [0,1,0,1,0,0|2,0,0]=4 27286 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,1,0,1,0,0|1,0,0]=3 27287 B13R1.343 O=C(O)CNCCCN1CCCC1 269956a_100016091260_100011445909 [0,1,0,1,0,0|2,0,0]=4 27288 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [0,1,0,1,0,0|2,0,0]=4 27289 B13R1.343 O=C(O)CONCCC1CCCC1 269956a_100000106656_100000760354 [0,1,0,1,0,0|2,0,0]=4 27290 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [0,1,0,1,0,0|1,0,0]=3 27291 B13R1.343 O=C([O-])CNCCOC1CCCC1 34a_100000741755_100020667443 [0,1,0,1,0,0|2,0,0]=4 27292 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [0,1,0,1,0,0|1,0,0]=3 27293 B13R1.343 O=C([O-])COCCNC1CCCC1 34a_200000200444_100020667443 [0,1,0,1,0,0|2,0,0]=4 27294 B13R1.343 O=C([O-])COCCOC1CCCC1 34a_100000738311_100020667443 [0,1,0,1,0,0|2,0,0]=4 27295 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [0,1,0,1,0,0|1,0,0]=3 27296 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [0,1,0,1,0,0|1,0,0]=3 27297 B13R1.343 O=C([O-])CSCCCN1CCCC1 62a_100016991639_100020667443 [0,1,0,1,0,0|2,0,0]=4 27298 B13R1.343 O=C([O-])CSCCCN1CCCC1 62a_100020667443_100011445909 [0,1,0,1,0,0|2,0,0]=4 27299 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 34a_200015379883_100000179811 [0,1,0,1,0,0|2,0,0]=4 27300 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 7a_200015379883_100000179811 [0,1,0,1,0,0|2,0,0]=4 27301 B13R1.343 O=[N+]([O-])CCCOCC1CCCC1 34a_200000037920_100000740388 [0,1,0,1,0,0|2,0,0]=4 27302 B13R1.343 O=[N+]([O-])CNCCCC1CCCC1 34a_100000736752_100000761209 [0,1,0,1,0,0|2,0,0]=4 27303 B13R1.343 O=[N+]([O-])COCCCC1CCCC1 34a_100011215328_100000761209 [0,1,0,1,0,0|2,0,0]=4 27304 B13R1.343 O=[N+]([O-])CSCCCC1CCCC1 62a_100011713738_100000761209 [0,1,0,1,0,0|2,0,0]=4 27305 B13R1.362 C#CCCCCCSC1CC(=O)C1 62a_100009894365_100012094781 [0,1,0,1,0,0|0,0,2]=4 27306 B13R1.362 C#CCCCCNCC1CC(=O)C1 2230a_100000706060_100009874392 [0,1,0,1,0,0|0,0,2]=4 27307 B13R1.362 C#CCCCCOCC1CC(=O)C1 34a_100000101936_100010269958 [0,1,0,1,0,0|0,0,2]=4 27308 B13R1.362 C#CCCCCOCC1CC(=O)C1 7a_100000766709_100009874392 [0,1,0,1,0,0|0,0,2]=4 27309 B13R1.362 C#CCCCCSCC1CC(=O)C1 62a_100009874392_100010269958 [0,1,0,1,0,0|0,0,2]=4 27310 B13R1.362 C#CCCCCSCC1CC(=O)C1 62a_100010269958_100009874392 [0,1,0,1,0,0|0,0,2]=4 27311 B13R1.362 C=C1CC(C1)CNCCCCCC 2230a_100102567296_100000210314 [0,1,0,1,0,0|1,0,0]=3 27312 B13R1.362 C=C1CC(C1)CNCCCCCC 34a_100102567296_100000210314 [0,1,0,1,0,0|1,0,0]=3 27313 B13R1.362 C=C1CC(C1)CNCCCCCF 2230a_100102567296_100000729378 [0,1,0,1,0,0|2,0,0]=4 27314 B13R1.362 C=C1CC(C1)CNCCCCCF 34a_100102567296_100000729378 [0,1,0,1,0,0|2,0,0]=4 27315 B13R1.362 C=C1CC(C1)CNCCCCCO 2230a_100102567296_100000746330 [0,1,0,1,0,0|2,0,0]=4 27316 B13R1.362 C=C1CC(C1)CNCCCCCO 34a_100102567296_100000746330 [0,1,0,1,0,0|2,0,0]=4 27317 B13R1.362 C=C1CC(C1)CNCCCCOC 2230a_100102567296_100000730899 [0,1,0,1,0,0|2,0,0]=4 27318 B13R1.362 C=C1CC(C1)CNCCCCOC 34a_100102567296_100000755781 [0,1,0,1,0,0|2,0,0]=4 27319 B13R1.362 C=C1CC(C1)CNCCCOCC 2230a_100102567296_100012232248 [0,1,0,1,0,0|2,0,0]=4 27320 B13R1.362 C=C1CC(C1)CNCCCOCC 34a_100102567296_100012232248 [0,1,0,1,0,0|2,0,0]=4 27321 B13R1.362 C=C1CC(C1)CNCCOCCC 2230a_100102567296_100011215938 [0,1,0,1,0,0|2,0,0]=4 27322 B13R1.362 C=C1CC(C1)CNCCOCCC 34a_100102567296_100011215938 [0,1,0,1,0,0|2,0,0]=4 27323 B13R1.362 C=C1CC(C1)CNCOCCCC 2230a_100102567296_100011995733 [0,1,0,1,0,0|2,0,0]=4 27324 B13R1.362 C=C1CC(C1)CNCOCCCC 34a_100102567296_100011995733 [0,1,0,1,0,0|2,0,0]=4 27325 B13R1.362 C=C1CC(C1)COCCCCCC 34a_100011011225_100000210314 [0,1,0,1,0,0|1,0,0]=3 27326 B13R1.362 C=C1CC(C1)COCCCCCF 34a_100011011225_100000729378 [0,1,0,1,0,0|2,0,0]=4 27327 B13R1.362 C=C1CC(C1)COCCCCCO 34a_100011011225_100000746330 [0,1,0,1,0,0|2,0,0]=4 27328 B13R1.362 C=C1CC(C1)COCCCCOC 34a_100011011225_100000755781 [0,1,0,1,0,0|2,0,0]=4 27329 B13R1.362 C=C1CC(C1)COCCCOCC 34a_100011011225_100012232248 [0,1,0,1,0,0|2,0,0]=4 27330 B13R1.362 C=C1CC(C1)COCCOCCC 34a_100011011225_100011215938 [0,1,0,1,0,0|2,0,0]=4 27331 B13R1.362 C=C1CC(C1)COCOCCCC 34a_100011011225_100011995733 [0,1,0,1,0,0|2,0,0]=4 27332 B13R1.362 C=C1CC(C1)NCCCCCCC 2230a_100132301982_100000210681 [0,1,0,1,0,0|1,0,0]=3 27333 B13R1.362 C=C1CC(C1)NCCCCCCF 2230a_100132301982_100015922095 [0,1,0,1,0,0|2,0,0]=4 27334 B13R1.362 C=C1CC(C1)NCCCCCCO 2230a_100132301982_100000766143 [0,1,0,1,0,0|2,0,0]=4 27335 B13R1.362 C=C1CC(C1)NCCOCCCC 2230a_100132301982_100000743108 [0,1,0,1,0,0|2,0,0]=4 27336 B13R1.362 C=CCCCCCSC1CC(=O)C1 62a_100009894365_100000700193 [0,1,0,1,0,0|0,0,2]=4 27337 B13R1.362 C=CCCCCNCC1CC(=O)C1 2230a_100000703577_100009874392 [0,1,0,1,0,0|0,0,2]=4 27338 B13R1.362 C=CCCCCOCC1CC(=O)C1 34a_100000101936_100011215482 [0,1,0,1,0,0|0,0,2]=4 27339 B13R1.362 C=CCCCCOCC1CC(=O)C1 7a_100000766645_100009874392 [0,1,0,1,0,0|0,0,2]=4 27340 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100009874392_100011215482 [0,1,0,1,0,0|0,0,2]=4 27341 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100011215482_100009874392 [0,1,0,1,0,0|0,0,2]=4 27342 B13R1.362 CC/C=C\CCOCC1CC(=O)C1 34a_100000101936_100015370543 [0,1,0,1,0,0|0,0,2]=4 27343 B13R1.362 CC/C=C\CCOCC1CC(=O)C1 7a_100016288707_100009874392 [0,1,0,1,0,0|0,0,2]=4 27344 B13R1.362 CC/C=C\CCSCC1CC(=O)C1 62a_100009874392_100015370543 [0,1,0,1,0,0|0,0,2]=4 27345 B13R1.362 CC/C=C\CCSCC1CC(=O)C1 62a_100015370543_100009874392 [0,1,0,1,0,0|0,0,2]=4 27346 B13R1.362 CCC#CCCOCC1CC(=O)C1 7a_100000036655_100009874392 [0,1,0,1,0,0|0,0,2]=4 27347 B13R1.362 CCC/C=C/COCC1CC(=O)C1 7a_100016278788_100009874392 [0,1,0,1,0,0|0,0,2]=4 27348 B13R1.362 CCCC#CCOCC1CC(=O)C1 7a_100000034806_100009874392 [0,1,0,1,0,0|0,0,2]=4 27349 B13R1.362 CCCCCCCCN1CC(C1)C 2230a_100000702820_100000210759 [0,1,0,1,0,0|1,0,1]=4 27350 B13R1.362 CCCCCCCCN1CC(C1)C 269982a_100000702820_100000210759 [0,1,0,1,0,0|1,0,1]=4 27351 B13R1.362 CCCCCCCCN1CC(C1)C 34a_100000702820_100000210759 [0,1,0,1,0,0|1,0,1]=4 27352 B13R1.362 CCCCCCCCN1CC(C1)F 2230a_100000690557_100000210759 [0,1,0,1,0,0|1,0,1]=4 27353 B13R1.362 CCCCCCCCN1CC(C1)F 269982a_100000690557_100000210759 [0,1,0,1,0,0|1,0,1]=4 27354 B13R1.362 CCCCCCCCN1CC(C1)F 34a_100000690557_100000210759 [0,1,0,1,0,0|1,0,1]=4 27355 B13R1.362 CCCCCCCCN1CC(C1)O 269982a_100000749847_100000210759 [0,1,0,1,0,0|0,0,2]=4 27356 B13R1.362 CCCCCCCNC1CC(C1)F 2230a_100016993743_100000210681 [0,1,0,1,0,0|1,0,1]=4 27357 B13R1.362 CCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210681 [0,1,0,1,0,0|0,0,2]=4 27358 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [0,1,0,1,0,0|0,0,0]=2 27359 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [0,1,0,1,0,0|0,0,0]=2 27360 B13R1.362 CCCCCCNCC1CC(C1)O 2230a_100016992100_100000210314 [0,1,0,1,0,0|0,0,2]=4 27361 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [0,1,0,1,0,0|0,0,0]=2 27362 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [0,1,0,1,0,0|0,0,0]=2 27363 B13R1.362 CCCCCCOCC1CC(C1)Cl 34a_100009874164_100000210314 [0,1,0,1,0,0|1,0,1]=4 27364 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [0,1,0,1,0,0|0,0,0]=2 27365 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [0,1,0,1,0,0|0,0,0]=2 27366 B13R1.362 CCCCOCCSC1CC(=O)C1 62a_100009894365_100000743108 [0,1,0,1,0,0|1,0,0]=3 27367 B13R1.362 CCCCOCOCC1CC(=O)C1 34a_100000101936_100011995733 [0,1,0,1,0,0|1,0,0]=3 27368 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100009874392_100011995733 [0,1,0,1,0,0|1,0,0]=3 27369 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100011995733_100009874392 [0,1,0,1,0,0|1,0,0]=3 27370 B13R1.362 CCCOCCNCC1CC(=O)C1 2230a_100161115042_100009874392 [0,1,0,1,0,0|1,0,0]=3 27371 B13R1.362 CCCOCCOCC1CC(=O)C1 34a_100000101936_100011215938 [0,1,0,1,0,0|1,0,0]=3 27372 B13R1.362 CCCOCCOCC1CC(=O)C1 7a_100000752267_100009874392 [0,1,0,1,0,0|1,0,0]=3 27373 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100009874392_100011215938 [0,1,0,1,0,0|1,0,0]=3 27374 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100011215938_100009874392 [0,1,0,1,0,0|1,0,0]=3 27375 B13R1.362 CCCSCCNCC1CC(=O)C1 2230a_100020603323_100009874392 [0,1,0,1,0,0|1,0,0]=3 27376 B13R1.362 CCCSCCOCC1CC(=O)C1 7a_200000230433_100009874392 [0,1,0,1,0,0|1,0,0]=3 27377 B13R1.362 CCOCCCNCC1CC(=O)C1 2230a_100000210961_100009874392 [0,1,0,1,0,0|1,0,0]=3 27378 B13R1.362 CCOCCCOCC1CC(=O)C1 34a_100000101936_100012232248 [0,1,0,1,0,0|1,0,0]=3 27379 B13R1.362 CCOCCCOCC1CC(=O)C1 7a_100000757476_100009874392 [0,1,0,1,0,0|1,0,0]=3 27380 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100009874392_100012232248 [0,1,0,1,0,0|1,0,0]=3 27381 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100012232248_100009874392 [0,1,0,1,0,0|1,0,0]=3 27382 B13R1.362 CCSCCCOCC1CC(=O)C1 7a_100011216438_100009874392 [0,1,0,1,0,0|1,0,0]=3 27383 B13R1.362 COCCCCOCC1CC(=O)C1 34a_100000101936_100000755781 [0,1,0,1,0,0|1,0,0]=3 27384 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100000730899_100009874392 [0,1,0,1,0,0|1,0,0]=3 27385 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100009874392_100000730899 [0,1,0,1,0,0|1,0,0]=3 27386 B13R1.362 COCCOCCSC1CC(=O)C1 62a_100009894365_100000695917 [0,1,0,1,0,0|2,0,0]=4 27387 B13R1.362 COCCOCSCC1CC(=O)C1 62a_100000231047_100009874392 [0,1,0,1,0,0|2,0,0]=4 27388 B13R1.362 COCCOCSCC1CC(=O)C1 62a_100009874392_100000231047 [0,1,0,1,0,0|2,0,0]=4 27389 B13R1.362 CSCCCCOCC1CC(=O)C1 7a_100011217163_100009874392 [0,1,0,1,0,0|1,0,0]=3 27390 B13R1.362 N#CCCCCCSC1CC(=O)C1 62a_100009894365_100009813376 [0,1,0,1,0,0|1,0,1]=4 27391 B13R1.362 N#CCCCCSCC1CC(=O)C1 62a_100009874392_100000211819 [0,1,0,1,0,0|1,0,1]=4 27392 B13R1.362 N#CCCCCSCC1CC(=O)C1 62a_100011219923_100009874392 [0,1,0,1,0,0|1,0,1]=4 27393 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [0,1,0,1,0,0|1,0,0]=3 27394 B13R1.362 O=C1CC(C1)CNCCOCCO 2230a_100000211614_100009874392 [0,1,0,1,0,0|2,0,0]=4 27395 B13R1.362 O=C1CC(C1)CNCCSCCO 2230a_100011219999_100009874392 [0,1,0,1,0,0|2,0,0]=4 27396 B13R1.362 O=C1CC(C1)COCCCCCBr 7a_100000746331_100009874392 [0,1,0,1,0,0|1,0,0]=3 27397 B13R1.362 O=C1CC(C1)COCCCCCCl 7a_100000746330_100009874392 [0,1,0,1,0,0|1,0,0]=3 27398 B13R1.362 O=C1CC(C1)COCCCCCF 34a_100000101936_100000729378 [0,1,0,1,0,0|1,0,0]=3 27399 B13R1.362 O=C1CC(C1)COCCCCCI 7a_200012148887_100009874392 [0,1,0,1,0,0|1,0,0]=3 27400 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [0,1,0,1,0,0|1,0,0]=3 27401 B13R1.362 O=C1CC(C1)COCCOCCBr 7a_100000692535_100009874392 [0,1,0,1,0,0|2,0,0]=4 27402 B13R1.362 O=C1CC(C1)COCCOCCCl 7a_100011215305_100009874392 [0,1,0,1,0,0|2,0,0]=4 27403 B13R1.362 O=C1CC(C1)COCCOCCF 7a_200015357709_100009874392 [0,1,0,1,0,0|2,0,0]=4 27404 B13R1.362 O=C1CC(C1)COCCOCCI 7a_100012149058_100009874392 [0,1,0,1,0,0|2,0,0]=4 27405 B13R1.362 O=C1CC(C1)COCCOCCO 34a_100000101936_100000692535 [0,1,0,1,0,0|2,0,0]=4 27406 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100000729378_100009874392 [0,1,0,1,0,0|1,0,0]=3 27407 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100009874392_100000729378 [0,1,0,1,0,0|1,0,0]=3 27408 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [0,1,0,1,0,0|1,0,0]=3 27409 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [0,1,0,1,0,0|1,0,0]=3 27410 B13R1.362 O=C1CC(C1)CSCCOCCO 62a_100009874392_100011215305 [0,1,0,1,0,0|2,0,0]=4 27411 B13R1.362 O=C1CC(C1)CSCCOCCO 62a_100011215305_100009874392 [0,1,0,1,0,0|2,0,0]=4 27412 B13R1.362 O=C1CC(C1)SCCCCCCF 62a_100009894365_100015922095 [0,1,0,1,0,0|1,0,0]=3 27413 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [0,1,0,1,0,0|1,0,0]=3 27414 B13R1.362 O=CCCCCCSC1CC(=O)C1 62a_100009894365_100000139337 [0,1,0,1,0,0|1,0,1]=4 27415 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100000139335_100009874392 [0,1,0,1,0,0|1,0,1]=4 27416 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100009874392_100000139335 [0,1,0,1,0,0|1,0,1]=4 27417 B13R1.380 C=C(C)CN1CCCCC1CCC 2230a_100000701414_100000748629 [0,1,0,1,0,0|1,0,0]=3 27418 B13R1.380 C=C(C)CN1CCCCC1CCC 269982a_100000701414_100000748629 [0,1,0,1,0,0|1,0,0]=3 27419 B13R1.380 C=C(C)CN1CCCCC1CCC 34a_100000701414_100000748629 [0,1,0,1,0,0|1,0,0]=3 27420 B13R1.380 C=C(C)CN1CCCCC1CCO 2230a_100000211664_100000748629 [0,1,0,1,0,0|2,0,0]=4 27421 B13R1.380 C=C(C)CN1CCCCC1CCO 269982a_100000211664_100000748629 [0,1,0,1,0,0|2,0,0]=4 27422 B13R1.380 C=C(C)CN1CCCCC1CCO 34a_100000211664_100000748629 [0,1,0,1,0,0|2,0,0]=4 27423 B13R1.380 C=C(C)CN1CCCCC1COC 2230a_100015184032_100000748629 [0,1,0,1,0,0|2,0,0]=4 27424 B13R1.380 C=C(C)CN1CCCCC1COC 269982a_100015184032_100000748629 [0,1,0,1,0,0|2,0,0]=4 27425 B13R1.380 C=C(C)CN1CCCCC1COC 34a_100015184032_100000748629 [0,1,0,1,0,0|2,0,0]=4 27426 B13R1.380 C=C(C)CN1CCOCC1CCC 2230a_102495339903_100000748629 [0,1,0,1,0,0|2,0,0]=4 27427 B13R1.380 C=C(C)CN1CCOCC1CCC 269982a_102495339903_100000748629 [0,1,0,1,0,0|2,0,0]=4 27428 B13R1.380 C=C(C)CN1CCOCC1CCC 34a_102495339903_100000748629 [0,1,0,1,0,0|2,0,0]=4 27429 B13R1.380 C=C(F)CN1CCCCC1CCC 2230a_100000701414_100009893438 [0,1,0,1,0,0|1,0,1]=4 27430 B13R1.380 C=C(F)CN1CCCCC1CCC 269982a_100000701414_100009893438 [0,1,0,1,0,0|1,0,1]=4 27431 B13R1.380 C=C(F)CN1CCCCC1CCC 34a_100000701414_100009893438 [0,1,0,1,0,0|1,0,1]=4 27432 B13R1.380 CCCC1CCCCC1OC(C)C 34a_100011217265_100000210206 [0,1,0,1,0,0|1,0,1]=4 27433 B13R1.380 CCCC1CCCCC1OC(C)C 7a_100011217265_100000210206 [0,1,0,1,0,0|1,0,1]=4 27434 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,1,0,1,0,0|1,0,0]=3 27435 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,1,0,1,0,0|1,0,0]=3 27436 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,1,0,1,0,0|1,0,0]=3 27437 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,1,0,1,0,0|1,0,0]=3 27438 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,1,0,1,0,0|1,0,0]=3 27439 B13R1.380 CCCC1CCCCN1CC(C)C 2230a_100000701414_100000210760 [0,1,0,1,0,0|1,0,1]=4 27440 B13R1.380 CCCC1CCCCN1CC(C)C 269982a_100000701414_100000210624 [0,1,0,1,0,0|1,0,1]=4 27441 B13R1.380 CCCC1CCCCN1CC(C)C 270004a_100000701414_100000210432 [0,1,0,1,0,0|1,0,1]=4 27442 B13R1.380 CCCC1CCCCN1CC(C)C 34a_100000701414_100000210624 [0,1,0,1,0,0|1,0,1]=4 27443 B13R1.380 CCCC1CCCCN1CC(C)O 2230a_100000701414_100011218427 [0,1,0,1,0,0|0,0,2]=4 27444 B13R1.380 CCCC1CCCCN1CC(C)O 269982a_100000701414_100011218427 [0,1,0,1,0,0|0,0,2]=4 27445 B13R1.380 CCCC1CCCCN1CC(C)O 34a_100000701414_100011218427 [0,1,0,1,0,0|0,0,2]=4 27446 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 2230a_100000701414_100009817552 [0,1,0,1,0,0|0,0,2]=4 27447 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 269982a_100000701414_100009817552 [0,1,0,1,0,0|0,0,2]=4 27448 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 34a_100000701414_100009817552 [0,1,0,1,0,0|0,0,2]=4 27449 B13R1.380 CCCC1CCCCN1C[N+](=O)[O-] 269982a_100000701414_100000761209 [0,1,0,1,0,0|2,0,0]=4 27450 B13R1.380 CCCC1CCCCN1C[N+](=O)[O-] 34a_100000701414_100000761209 [0,1,0,1,0,0|2,0,0]=4 27451 B13R1.380 CCCC1COCCN1CC(=O)N 2230a_102495339903_100000747473 [0,1,0,1,0,0|2,0,0]=4 27452 B13R1.380 CCCC1COCCN1CC(=O)N 269982a_102495339903_100000187820 [0,1,0,1,0,0|2,0,0]=4 27453 B13R1.380 CCCC1COCCN1CC(=O)N 34a_102495339903_100000187820 [0,1,0,1,0,0|2,0,0]=4 27454 B13R1.380 CCCC1COCCN1CC(=O)[O-] 269982a_102495339903_100020667443 [0,1,0,1,0,0|2,0,0]=4 27455 B13R1.380 CCCC1COCCN1CC(=O)[O-] 34a_102495339903_100020667443 [0,1,0,1,0,0|2,0,0]=4 27456 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 27457 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 27458 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 27459 B13R1.380 CCCN1CCCCC1CN(C)C 2230a_100000746231_100000210303 [0,1,0,1,0,0|2,0,0]=4 27460 B13R1.380 CCCN1CCCCC1CN(C)C 269982a_100000746231_100000210303 [0,1,0,1,0,0|2,0,0]=4 27461 B13R1.380 COCC1CCCCN1CC(=O)N 2230a_100015184032_100000747473 [0,1,0,1,0,0|2,0,0]=4 27462 B13R1.380 COCC1CCCCN1CC(=O)N 269982a_100015184032_100000187820 [0,1,0,1,0,0|2,0,0]=4 27463 B13R1.380 COCC1CCCCN1CC(=O)N 34a_100015184032_100000187820 [0,1,0,1,0,0|2,0,0]=4 27464 B13R1.380 COCC1CCCCN1CC(=O)[O-] 269982a_100015184032_100020667443 [0,1,0,1,0,0|2,0,0]=4 27465 B13R1.380 COCC1CCCCN1CC(=O)[O-] 34a_100015184032_100020667443 [0,1,0,1,0,0|2,0,0]=4 27466 B13R1.380 COCN1CCCCC1CC(=O)N 2230a_100015184752_100000766300 [0,1,0,1,0,0|2,0,0]=4 27467 B13R1.380 COCN1CCCCC1CC(=O)N 269982a_100015184752_100000766300 [0,1,0,1,0,0|2,0,0]=4 27468 B13R1.380 CSCN1CCCCC1CC(=O)N 2230a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 27469 B13R1.380 CSCN1CCCCC1CC(=O)N 269982a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 27470 B13R1.380 CSCN1CCCCC1CC(=O)N 34a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 27471 B13R1.380 NC(=O)CC1CCCCN1CCF 2230a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 27472 B13R1.380 NC(=O)CC1CCCCN1CCF 269982a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 27473 B13R1.380 NC(=O)CC1CCCCN1CCF 34a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 27474 B13R1.380 NC(=O)CC1CCCCN1CCO 2230a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 27475 B13R1.380 NC(=O)CC1CCCCN1CCO 269982a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 27476 B13R1.380 NC(=O)CC1CCCCN1CCO 34a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 27477 B13R1.380 NC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747473 [0,1,0,1,0,0|2,0,0]=4 27478 B13R1.380 NC(=O)CN1CCCCC1CCO 269982a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 27479 B13R1.380 NC(=O)CN1CCCCC1CCO 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 27480 B13R1.380 O=C([O-])CN1CCCCC1CCO 269982a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 27481 B13R1.380 O=C([O-])CN1CCCCC1CCO 34a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 27482 B13R1.392 C=C(C)CCN1CCC[C@H]1COC 2230a_100020646714_100000730704 [0,1,0,1,0,0|2,0,0]=4 27483 B13R1.392 C=C(C)CCN1CCC[C@H]1COC 269982a_100020646714_100000730704 [0,1,0,1,0,0|2,0,0]=4 27484 B13R1.392 C=C(C)CCN1CCC[C@H]1COC 34a_100020646714_100000730704 [0,1,0,1,0,0|2,0,0]=4 27485 B13R1.392 CCCC1CCCC1=NNC(=O)C 4a_100000189765_100000723119 [0,1,0,1,0,0|1,0,1]=4 27486 B13R1.392 CCCC1CCCC1NCC(C)C 269862a_100000210953_100000723119 [0,1,0,1,0,0|1,0,1]=4 27487 B13R1.392 CCCC1CCCC1NCC(C)C 270004a_100000210953_100000723119 [0,1,0,1,0,0|1,0,1]=4 27488 B13R1.392 CCCC1CCCC1NCC(C)O 269862a_100000210904_100000723119 [0,1,0,1,0,0|0,0,2]=4 27489 B13R1.392 CCCC1CCCC1NCC(C)O 270004a_100000210904_100000723119 [0,1,0,1,0,0|0,0,2]=4 27490 B13R1.392 COC[C@@H]1CCCN1CCC(=O)C 269982a_100020646714_100000053229 [0,1,0,1,0,0|1,0,0]=3 27491 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 2230a_100020646714_100000744528 [0,1,0,1,0,0|2,0,0]=4 27492 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 269982a_100020646714_100000744528 [0,1,0,1,0,0|2,0,0]=4 27493 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 34a_100020646714_100000731001 [0,1,0,1,0,0|2,0,0]=4 27494 B13R1.392 COC[C@@H]1CCCN1COC(=O)C 269982a_100020646714_100000076356 [0,1,0,1,0,0|2,0,0]=4 27495 B13R1.392 COC[C@@H]1CCCN1COC(=O)C 34a_100020646714_100009813279 [0,1,0,1,0,0|2,0,0]=4 27496 B13R1.559 CCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210759 [0,1,0,1,0,0|1,0,1]=4 27497 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210759 [0,1,0,1,0,0|1,0,1]=4 27498 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210759 [0,1,0,1,0,0|1,0,1]=4 27499 B13R1.559 CCCCCCCOCC1CC1C 34a_100000744939_100000210614 [0,1,0,1,0,0|1,0,1]=4 27500 B13R1.559 CCCCCCCOCC1CC1C 7a_100000744939_100000210614 [0,1,0,1,0,0|1,0,1]=4 27501 B13R1.572 CC(=O)N1CCCCC1CCCO 240690a_100011934581_100015343762 [0,1,0,1,0,0|1,0,0]=3 27502 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [0,1,0,1,0,0|1,0,0]=3 27503 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [0,1,0,1,0,0|1,0,0]=3 27504 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [0,1,0,1,0,0|1,0,0]=3 27505 B13R1.572 CCCCN1CCCCC1C(C)C 2230a_100000757267_100000210211 [0,1,0,1,0,0|1,0,1]=4 27506 B13R1.572 CCCCN1CCCCC1C(C)C 269982a_100000757267_100000210211 [0,1,0,1,0,0|1,0,1]=4 27507 B13R1.572 CCCCN1CCCCC1C(C)C 34a_100000757267_100000210210 [0,1,0,1,0,0|1,0,1]=4 27508 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,1,0,1,0,0|1,0,0]=3 27509 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210211 [0,1,0,1,0,0|2,0,0]=4 27510 B13R1.572 CCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210211 [0,1,0,1,0,0|2,0,0]=4 27511 B13R1.572 CCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210211 [0,1,0,1,0,0|2,0,0]=4 27512 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,1,0,1,0,0|1,0,0]=3 27513 B13R1.572 CCCOC1CCCCC1C(C)C 34a_100011709184_100000210303 [0,1,0,1,0,0|1,0,1]=4 27514 B13R1.572 CCCOC1CCCCC1C(C)C 7a_100011709184_100000210303 [0,1,0,1,0,0|1,0,1]=4 27515 B13R1.572 CCOCN1CCCCC1C(=O)N 269982a_100000181395_100000739092 [0,1,0,1,0,0|2,0,0]=4 27516 B13R1.572 CCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000739092 [0,1,0,1,0,0|2,0,0]=4 27517 B13R1.572 COCCC1CCCCN1C(=O)C 11a_100015186528_100015343762 [0,1,0,1,0,0|1,0,0]=3 27518 B13R1.572 COCCC1CCCCN1C(=O)C 1626a_100015186528_100015343762 [0,1,0,1,0,0|1,0,0]=3 27519 B13R1.572 COCCC1CCCCN1C(=O)C 240690a_100015186528_100015343762 [0,1,0,1,0,0|1,0,0]=3 27520 B13R1.572 COCCC1CCCCN1C(=O)C 527a_100015186528_100103153847 [0,1,0,1,0,0|1,0,0]=3 27521 B13R1.572 COCCN1CCCCC1C(=O)N 2230a_100000181395_100011201679 [0,1,0,1,0,0|2,0,0]=4 27522 B13R1.572 COCCN1CCCCC1C(=O)N 269982a_100000181395_100000233755 [0,1,0,1,0,0|2,0,0]=4 27523 B13R1.572 COCCN1CCCCC1C(=O)N 34a_100000181395_100011201679 [0,1,0,1,0,0|2,0,0]=4 27524 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000233755 [0,1,0,1,0,0|2,0,0]=4 27525 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766300 [0,1,0,1,0,0|2,0,0]=4 27526 B13R1.572 CSCCN1CCCCC1C(=O)N 2230a_100000181395_100000751147 [0,1,0,1,0,0|2,0,0]=4 27527 B13R1.572 CSCCN1CCCCC1C(=O)N 269982a_100000181395_100000212216 [0,1,0,1,0,0|2,0,0]=4 27528 B13R1.572 CSCCN1CCCCC1C(=O)N 34a_100000181395_100000212216 [0,1,0,1,0,0|2,0,0]=4 27529 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000212216 [0,1,0,1,0,0|2,0,0]=4 27530 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218213 [0,1,0,1,0,0|2,0,0]=4 27531 B13R1.572 NC(=O)C1CCCCN1CCCF 2230a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 27532 B13R1.572 NC(=O)C1CCCCN1CCCF 269982a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 27533 B13R1.572 NC(=O)C1CCCCN1CCCF 34a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 27534 B13R1.572 NC(=O)C1CCCCN1CCCO 2230a_100000181395_100000230001 [0,1,0,1,0,0|2,0,0]=4 27535 B13R1.572 NC(=O)C1CCCCN1CCCO 269982a_100000181395_100011215043 [0,1,0,1,0,0|2,0,0]=4 27536 B13R1.572 NC(=O)C1CCCCN1CCCO 34a_100000181395_100000230001 [0,1,0,1,0,0|2,0,0]=4 27537 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCF 269956a_100009816435_100011217306 [0,1,0,1,0,0|2,0,0]=4 27538 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [0,1,0,1,0,0|2,0,0]=4 27539 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF 269956a_100000763471_100011934791 [0,1,0,1,0,0|2,0,0]=4 27540 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [0,1,0,1,0,0|2,0,0]=4 27541 B13R1.578 CCCCN1CCCC1CC(C)C 2230a_100000748429_100000210211 [0,1,0,1,0,0|1,0,1]=4 27542 B13R1.578 CCCCN1CCCC1CC(C)C 269982a_100000748429_100000210211 [0,1,0,1,0,0|1,0,1]=4 27543 B13R1.578 CCCCN1CCCC1CC(C)C 34a_100000748429_100000210210 [0,1,0,1,0,0|1,0,1]=4 27544 B13R1.578 CCCCN1CCC[C@@H]1CN(C)C 269982a_200020645772_100000210211 [0,1,0,1,0,0|2,0,0]=4 27545 B13R1.610 CCN1CCCCCC1CC(C)C 2230a_100000759364_100000210202 [0,1,0,1,0,0|1,0,1]=4 27546 B13R1.610 CCN1CCCCCC1CC(C)C 269982a_100000759364_100000204670 [0,1,0,1,0,0|1,0,1]=4 27547 B13R1.610 CCN1CCCCCC1CC(C)C 34a_100000759364_100000210202 [0,1,0,1,0,0|1,0,1]=4 27548 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|1,0,0]=3 27549 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|1,0,0]=3 27550 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212008_100011214924 [0,1,0,1,0,0|1,0,1]=4 27551 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212291_100000211595 [0,1,0,1,0,0|1,0,1]=4 27552 B13R1.659 CCCCCCCCCOC1CC1 34a_100000210712_100000211595 [0,1,0,1,0,0|1,0,1]=4 27553 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000229939_100000742324 [0,1,0,1,0,0|1,0,1]=4 27554 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000735609_100000210759 [0,1,0,1,0,0|1,0,1]=4 27555 B13R1.659 CCCCCCCCNCC1CC1 269862a_100000229939_100000741477 [0,1,0,1,0,0|1,0,1]=4 27556 B13R1.659 CCCCCCCCNCC1CC1 34a_100000229939_100000742324 [0,1,0,1,0,0|1,0,1]=4 27557 B13R1.659 CCCCCCCCNCC1CC1 34a_100000735609_100000210759 [0,1,0,1,0,0|1,0,1]=4 27558 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [0,1,0,1,0,0|0,0,2]=4 27559 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [0,1,0,1,0,0|0,0,2]=4 27560 B13R1.659 CCCCCCCCOCC1CC1 34a_100000210232_100000742324 [0,1,0,1,0,0|1,0,1]=4 27561 B13R1.659 CCCCCCCCOCC1CC1 34a_100000211283_100000210759 [0,1,0,1,0,0|1,0,1]=4 27562 B13R1.659 CCCCCCCCOCC1CC1 7a_100000210232_100000742324 [0,1,0,1,0,0|1,0,1]=4 27563 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 27564 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 27565 B13R1.659 CCCCCCCCOCC1CS1 7a_100000210232_100000031435 [0,1,0,1,0,0|0,1,1]=4 27566 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,1,0,1,0,0|0,0,2]=4 27567 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,1,0,1,0,0|0,0,2]=4 27568 B13R1.659 CCCCCCCCSCC1CC1 62a_100000210759_100000742324 [0,1,0,1,0,0|1,0,1]=4 27569 B13R1.659 CCCCCCCCSCC1CC1 62a_100000756562_100000210317 [0,1,0,1,0,0|1,0,1]=4 27570 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [0,1,0,1,0,0|0,0,2]=4 27571 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [0,1,0,1,0,0|0,0,2]=4 27572 B13R1.659 CCCCCCCCSCC1CS1 62a_100000031435_100000210317 [0,1,0,1,0,0|0,1,1]=4 27573 B13R1.659 CCCCCCCCSCC1CS1 62a_100000210759_100000031435 [0,1,0,1,0,0|0,1,1]=4 27574 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [0,1,0,1,0,0|0,0,2]=4 27575 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [0,1,0,1,0,0|0,0,2]=4 27576 B13R1.659 CCCCCCCNCCC1CC1 2230a_100000229938_100000694398 [0,1,0,1,0,0|1,0,1]=4 27577 B13R1.659 CCCCCCCNCCC1CC1 34a_100000764129_100000210614 [0,1,0,1,0,0|1,0,1]=4 27578 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [0,1,0,1,0,0|0,0,2]=4 27579 B13R1.659 CCCCCCCOCCC1CC1 34a_100000210272_100000694398 [0,1,0,1,0,0|1,0,1]=4 27580 B13R1.659 CCCCCCCOCCC1CC1 34a_100000754188_100000210614 [0,1,0,1,0,0|1,0,1]=4 27581 B13R1.659 CCCCCCCOCCC1CC1 7a_100000210272_100000764125 [0,1,0,1,0,0|1,0,1]=4 27582 B13R1.659 CCCCCCCOCCC1CC1 7a_100000754188_100000210614 [0,1,0,1,0,0|1,0,1]=4 27583 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,1,0,1,0,0|0,0,2]=4 27584 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,1,0,1,0,0|0,0,2]=4 27585 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,1,0,1,0,0|0,0,2]=4 27586 B13R1.659 CCCCCCCSCCC1CC1 62a_100000210614_100000764125 [0,1,0,1,0,0|1,0,1]=4 27587 B13R1.659 CCCCCCCSCCC1CC1 62a_100000764125_100000210316 [0,1,0,1,0,0|1,0,1]=4 27588 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [0,1,0,1,0,0|0,0,2]=4 27589 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [0,1,0,1,0,0|0,0,2]=4 27590 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [0,1,0,1,0,0|0,0,2]=4 27591 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [0,1,0,1,0,0|0,0,2]=4 27592 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [0,1,0,1,0,0|0,0,2]=4 27593 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [0,1,0,1,0,0|0,0,2]=4 27594 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [0,1,0,1,0,0|0,0,2]=4 27595 B13R1.668 CCCCNC1CCCCC1(C)C 269862a_100000102301_100000031690 [0,1,0,1,0,0|1,0,1]=4 27596 B13R1.670 CC(=O)N1CCC[C@@H]1COCCF 34a_100012242843_100011217306 [0,1,0,1,0,0|2,0,0]=4 27597 B13R1.670 CC(=O)N1CCC[C@@H]1COCCF 7a_100012242843_100011217306 [0,1,0,1,0,0|2,0,0]=4 27598 B13R1.670 CC(=O)N1CCC[C@@H]1COCCO 34a_100012242843_100000211926 [0,1,0,1,0,0|2,0,0]=4 27599 B13R1.670 CC(=O)N1CCC[C@@H]1COCCO 7a_100012242843_100000211926 [0,1,0,1,0,0|2,0,0]=4 27600 B13R1.670 CCCCCC1CCCC1N(C)C 270004a_100102631434_200000198059 [0,1,0,1,0,0|2,0,0]=4 27601 B13R1.670 CCCCCN1CCCC1C(C)C 2230a_100000762757_100000210326 [0,1,0,1,0,0|1,0,1]=4 27602 B13R1.670 CCCCCN1CCCC1C(C)C 269982a_100000762757_100000210215 [0,1,0,1,0,0|1,0,1]=4 27603 B13R1.670 CCCCCN1CCCC1C(C)C 34a_100000762757_100000718602 [0,1,0,1,0,0|1,0,1]=4 27604 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [0,1,0,1,0,0|1,0,0]=3 27605 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,1,0,1,0,0|1,0,0]=3 27606 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [0,1,0,1,0,0|2,0,0]=4 27607 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210326 [0,1,0,1,0,0|2,0,0]=4 27608 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210303 [0,1,0,1,0,0|2,0,0]=4 27609 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210303 [0,1,0,1,0,0|2,0,0]=4 27610 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210303 [0,1,0,1,0,0|1,0,0]=3 27611 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210303 [0,1,0,1,0,0|1,0,0]=3 27612 B13R1.670 CCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215890 [0,1,0,1,0,0|2,0,0]=4 27613 B13R1.670 CCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210147 [0,1,0,1,0,0|2,0,0]=4 27614 B13R1.670 CCSCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000757381 [0,1,0,1,0,0|2,0,0]=4 27615 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000757381 [0,1,0,1,0,0|2,0,0]=4 27616 B13R1.670 COCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000740836 [0,1,0,1,0,0|2,0,0]=4 27617 B13R1.670 COCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000740836 [0,1,0,1,0,0|2,0,0]=4 27618 B13R1.670 CSCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100011218213 [0,1,0,1,0,0|2,0,0]=4 27619 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCF 2230a_100000003125_100000729493 [0,1,0,1,0,0|2,0,0]=4 27620 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCO 2230a_100000003125_100000210776 [0,1,0,1,0,0|2,0,0]=4 27621 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF 269956a_100000743916_100000729493 [0,1,0,1,0,0|2,0,0]=4 27622 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [0,1,0,1,0,0|2,0,0]=4 27623 B13R1.1022 C=C(C)CCN1CCCCCCC1 2230a_100000211400_100000730704 [0,1,0,1,0,0|1,0,0]=3 27624 B13R1.1022 C=C(C)CCN1CCCCCCC1 269982a_100000211400_100000730704 [0,1,0,1,0,0|1,0,0]=3 27625 B13R1.1022 C=C(C)CCN1CCCCCCC1 34a_100000211400_100000730704 [0,1,0,1,0,0|1,0,0]=3 27626 B13R1.1022 C=C(C)CNC1CCCCCCC1 2230a_100000211152_100000748629 [0,1,0,1,0,0|1,0,0]=3 27627 B13R1.1022 C=C(C)CNC1CCCCCCC1 34a_100000211152_100000748629 [0,1,0,1,0,0|1,0,0]=3 27628 B13R1.1022 C=C(C)COC1CCCCCCC1 34a_100000210054_100000748629 [0,1,0,1,0,0|1,0,0]=3 27629 B13R1.1022 C=C(C)COC1CCCCCCC1 7a_100000210054_100000748629 [0,1,0,1,0,0|1,0,0]=3 27630 B13R1.1022 C=C(F)CNC1CCCCCCC1 2230a_100000211152_100009893438 [0,1,0,1,0,0|1,0,1]=4 27631 B13R1.1022 C=C(F)CNC1CCCCCCC1 34a_100000211152_100009893438 [0,1,0,1,0,0|1,0,1]=4 27632 B13R1.1022 C=C(F)COC1CCCCCCC1 34a_100000210054_100009893438 [0,1,0,1,0,0|1,0,1]=4 27633 B13R1.1022 C=C(F)COC1CCCCCCC1 7a_100000210054_100000042424 [0,1,0,1,0,0|1,0,1]=4 27634 B13R1.1022 CC(=CCN1CCCCCCC1)C 2230a_100000211400_100000761012 [0,1,0,1,0,0|1,0,1]=4 27635 B13R1.1022 CC(=CCN1CCCCCCC1)C 269982a_100000211400_100000761012 [0,1,0,1,0,0|1,0,1]=4 27636 B13R1.1022 CC(=CCN1CCCCCCC1)C 34a_100000211400_100000761012 [0,1,0,1,0,0|1,0,1]=4 27637 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [0,1,0,1,0,0|0,0,0]=2 27638 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [0,1,0,1,0,0|0,0,0]=2 27639 B13R1.1022 CC(=O)COC1CC/C=C\CCC1 34a_100000211253_100021000466 [0,1,0,1,0,0|0,0,2]=4 27640 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 11a_100102730862_100015343762 [0,1,0,1,0,0|0,0,2]=4 27641 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 1626a_100102730862_100015343762 [0,1,0,1,0,0|0,0,2]=4 27642 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 240690a_100102730862_100015343762 [0,1,0,1,0,0|0,0,2]=4 27643 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 527a_100102730862_100103153847 [0,1,0,1,0,0|0,0,2]=4 27644 B13R1.1022 CC(=O)NN=C1CCCCCCC1 4a_100000189765_100000210524 [0,1,0,1,0,0|1,0,1]=4 27645 B13R1.1022 CC(=O)OCN1CCCCCCC1 269982a_100000211400_100000076356 [0,1,0,1,0,0|1,0,0]=3 27646 B13R1.1022 CC(=O)OCN1CCCCCCC1 34a_100000211400_100009813279 [0,1,0,1,0,0|1,0,0]=3 27647 B13R1.1022 CC(C)CCN1CCCCCCC1 2230a_100000211400_100000210312 [0,1,0,1,0,0|1,0,1]=4 27648 B13R1.1022 CC(C)CCN1CCCCCCC1 269982a_100000211400_100000210312 [0,1,0,1,0,0|1,0,1]=4 27649 B13R1.1022 CC(C)CCN1CCCCCCC1 34a_100000211400_100000210312 [0,1,0,1,0,0|1,0,1]=4 27650 B13R1.1022 CC(C)CNC1CCCCCCC1 2230a_100000211152_100000210760 [0,1,0,1,0,0|1,0,1]=4 27651 B13R1.1022 CC(C)CNC1CCCCCCC1 270004a_100000210953_100000210524 [0,1,0,1,0,0|1,0,1]=4 27652 B13R1.1022 CC(C)CNC1CCCCCCC1 270004a_100000211152_100000210432 [0,1,0,1,0,0|1,0,1]=4 27653 B13R1.1022 CC(C)CNC1CCCCCCC1 34a_100000211152_100000210624 [0,1,0,1,0,0|1,0,1]=4 27654 B13R1.1022 CC(C)COC1CCCCCCC1 34a_100000210054_100000210624 [0,1,0,1,0,0|1,0,1]=4 27655 B13R1.1022 CC(C)COC1CCCCCCC1 7a_100000210054_100000210760 [0,1,0,1,0,0|1,0,1]=4 27656 B13R1.1022 CC(C)OCC1CCCCCCC1 34a_100011216312_100000210206 [0,1,0,1,0,0|1,0,1]=4 27657 B13R1.1022 CC(C)OCC1CCCCCCC1 7a_100011216312_100000210206 [0,1,0,1,0,0|1,0,1]=4 27658 B13R1.1022 CC(O)CCN1CCCCCCC1 2230a_100000211400_100012276601 [0,1,0,1,0,0|0,0,2]=4 27659 B13R1.1022 CC(O)CCN1CCCCCCC1 269982a_100000211400_100012276601 [0,1,0,1,0,0|0,0,2]=4 27660 B13R1.1022 CC(O)CCN1CCCCCCC1 34a_100000211400_100012276601 [0,1,0,1,0,0|0,0,2]=4 27661 B13R1.1022 CC(O)CNC1CCCCCCC1 2230a_100000211152_100011218427 [0,1,0,1,0,0|0,0,2]=4 27662 B13R1.1022 CC(O)CNC1CCCCCCC1 270004a_100000210904_100000210524 [0,1,0,1,0,0|0,0,2]=4 27663 B13R1.1022 CC(O)CNC1CCCCCCC1 34a_100000211152_100011218427 [0,1,0,1,0,0|0,0,2]=4 27664 B13R1.1022 CC(O)COC1CCCCCCC1 34a_100000210054_100011218427 [0,1,0,1,0,0|0,0,2]=4 27665 B13R1.1022 CC(O)COC1CCCCCCC1 7a_100000210054_100011218427 [0,1,0,1,0,0|0,0,2]=4 27666 B13R1.1022 CN(C)CCN1CCCCCCC1 269982a_100000211400_100000755713 [0,1,0,1,0,0|2,0,0]=4 27667 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 2230a_100000211152_100009817552 [0,1,0,1,0,0|0,0,2]=4 27668 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 34a_100000211152_100009817552 [0,1,0,1,0,0|0,0,2]=4 27669 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 34a_100000210054_100009817552 [0,1,0,1,0,0|0,0,2]=4 27670 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 7a_100000210054_100009817552 [0,1,0,1,0,0|0,0,2]=4 27671 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [0,1,0,1,0,0|1,0,0]=3 27672 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [0,1,0,1,0,0|1,0,0]=3 27673 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [0,1,0,1,0,0|1,0,0]=3 27674 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,1,0,1,0,0|1,0,0]=3 27675 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,1,0,1,0,0|1,0,0]=3 27676 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,1,0,1,0,0|1,0,0]=3 27677 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,1,0,1,0,0|1,0,0]=3 27678 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,1,0,1,0,0|1,0,0]=3 27679 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,1,0,1,0,0|1,0,0]=3 27680 B13R1.1022 O=[N+]([O-])CNC1CCCCCCC1 34a_100000211152_100000761209 [0,1,0,1,0,0|2,0,0]=4 27681 B13R1.1022 O=[N+]([O-])COC1CCCCCCC1 34a_100000210054_100000761209 [0,1,0,1,0,0|2,0,0]=4 27682 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [0,1,0,1,0,0|0,0,0]=2 27683 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [0,1,0,1,0,0|0,0,0]=2 27684 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [0,1,0,1,0,0|0,0,0]=2 27685 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [0,1,0,1,0,0|0,0,0]=2 27686 B13R1.1052 CC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100009817362 [0,1,0,1,0,0|1,0,0]=3 27687 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [0,1,0,1,0,0|0,0,0]=2 27688 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [0,1,0,1,0,0|0,0,0]=2 27689 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000732470_100000735457 [0,1,0,1,0,0|1,0,0]=3 27690 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000735457_100000732470 [0,1,0,1,0,0|1,0,0]=3 27691 B13R1.1052 CC(=O)CCCOCC#CC1CC1 34a_100000083941_100000685027 [0,1,0,1,0,0|0,0,2]=4 27692 B13R1.1052 CC(=O)CCCOCC#CC1CC1 34a_100000759063_100009895102 [0,1,0,1,0,0|0,0,2]=4 27693 B13R1.1052 CC(=O)CCCOCC#CC1CC1 7a_100000083941_100011215641 [0,1,0,1,0,0|0,0,2]=4 27694 B13R1.1052 CC(=O)CCCOCC#CC1CC1 7a_100000759063_100009895102 [0,1,0,1,0,0|0,0,2]=4 27695 B13R1.1052 CC(=O)CCCOCCCC1CO1 34a_100000759063_100000733510 [0,1,0,1,0,0|1,0,0]=3 27696 B13R1.1052 CC(=O)CCCOCCCC1CO1 7a_100000759063_100000733510 [0,1,0,1,0,0|1,0,0]=3 27697 B13R1.1052 CC(=O)CCCOCCNC1CC1 34a_100000738766_100000685027 [0,1,0,1,0,0|1,0,0]=3 27698 B13R1.1052 CC(=O)CCCSCC#CC1CC1 62a_100009895102_100011215641 [0,1,0,1,0,0|0,0,2]=4 27699 B13R1.1052 CC(=O)CCCSCC#CC1CC1 62a_100011215641_100009895102 [0,1,0,1,0,0|0,0,2]=4 27700 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100000733510_100011215641 [0,1,0,1,0,0|1,0,0]=3 27701 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100011215641_100000733510 [0,1,0,1,0,0|1,0,0]=3 27702 B13R1.1052 CC(=O)NCCCCCNC1CC1 34a_200012022750_100000211595 [0,1,0,1,0,0|1,0,0]=3 27703 B13R1.1052 CC(=O)NCCCCNCC1CC1 2230a_200011368371_100000742324 [0,1,0,1,0,0|1,0,0]=3 27704 B13R1.1052 CC(=O)NCCCCNCC1CC1 269862a_200011368371_100000741477 [0,1,0,1,0,0|1,0,0]=3 27705 B13R1.1052 CC(=O)NCCCCNCC1CC1 34a_200011368371_100000742324 [0,1,0,1,0,0|1,0,0]=3 27706 B13R1.1052 CC(=O)NCCCCNCC1CO1 2230a_200011368371_100011216344 [0,1,0,1,0,0|2,0,0]=4 27707 B13R1.1052 CC(=O)NCCCCNCC1CO1 34a_200011368371_102125554688 [0,1,0,1,0,0|2,0,0]=4 27708 B13R1.1052 CC(=O)NCCCNCCC1CC1 34a_100000736810_100000694398 [0,1,0,1,0,0|1,0,0]=3 27709 B13R1.1052 CC(=O)NCCCNCCC1CO1 34a_100000736810_100000732470 [0,1,0,1,0,0|2,0,0]=4 27710 B13R1.1052 CC(=O)NCCCOCCC1CC1 34a_100000752032_100000694398 [0,1,0,1,0,0|1,0,0]=3 27711 B13R1.1052 CC(=O)NCCCOCCC1CO1 34a_100000752032_100000732470 [0,1,0,1,0,0|2,0,0]=4 27712 B13R1.1052 CC(=O)NCCNCCCC1CO1 2230a_100000209853_100000733510 [0,1,0,1,0,0|2,0,0]=4 27713 B13R1.1052 CC(=O)NCCOCCCC1CO1 34a_100000158858_100000733510 [0,1,0,1,0,0|2,0,0]=4 27714 B13R1.1052 CC(=O)NCCSCCCC1CO1 62a_100000189650_100000733510 [0,1,0,1,0,0|2,0,0]=4 27715 B13R1.1052 CC(=O)NCCSCCCC1CO1 62a_100000733510_100000189650 [0,1,0,1,0,0|2,0,0]=4 27716 B13R1.1052 CC(=O)OCCCCCNC1CC1 34a_100000212008_100000033007 [0,1,0,1,0,0|1,0,0]=3 27717 B13R1.1052 CC(=O)OCCCCCSC1CC1 62a_100000033007_100000211595 [0,1,0,1,0,0|1,0,0]=3 27718 B13R1.1052 CC(=O)OCCCCNCC1CC1 34a_100000735609_100000033659 [0,1,0,1,0,0|1,0,0]=3 27719 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000073216_100000742324 [0,1,0,1,0,0|1,0,0]=3 27720 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000211283_100000033659 [0,1,0,1,0,0|1,0,0]=3 27721 B13R1.1052 CC(=O)OCCCCOCC1CC1 7a_100000073216_100000742324 [0,1,0,1,0,0|1,0,0]=3 27722 B13R1.1052 CC(=O)OCCCCOCC1CO1 34a_100000073216_102125554688 [0,1,0,1,0,0|2,0,0]=4 27723 B13R1.1052 CC(=O)OCCCCOCC1CO1 7a_100000073216_102125554688 [0,1,0,1,0,0|2,0,0]=4 27724 B13R1.1052 CC(=O)OCCCCOCC1CS1 7a_100000073216_100000031435 [0,1,0,1,0,0|2,0,0]=4 27725 B13R1.1052 CC(=O)OCCCCOC[C@@H]1CO1 34a_100000757423_100000033659 [0,1,0,1,0,0|2,0,0]=4 27726 B13R1.1052 CC(=O)OCCCCOC[C@@H]1CO1 7a_100000073216_100000745022 [0,1,0,1,0,0|2,0,0]=4 27727 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000033659_100000742324 [0,1,0,1,0,0|1,0,0]=3 27728 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000756562_100000033659 [0,1,0,1,0,0|1,0,0]=3 27729 B13R1.1052 CC(=O)OCCCCSCC1CO1 62a_100000033659_102125554688 [0,1,0,1,0,0|2,0,0]=4 27730 B13R1.1052 CC(=O)OCCCCSCC1CO1 62a_102125554688_100000033659 [0,1,0,1,0,0|2,0,0]=4 27731 B13R1.1052 CC(=O)OCCCCSCC1CS1 62a_100000031435_100000033659 [0,1,0,1,0,0|2,0,0]=4 27732 B13R1.1052 CC(=O)OCCCCSCC1CS1 62a_100000033659_100000031435 [0,1,0,1,0,0|2,0,0]=4 27733 B13R1.1052 CC(=O)OCCCCSC[C@@H]1CO1 62a_100000033659_100000745022 [0,1,0,1,0,0|2,0,0]=4 27734 B13R1.1052 CC(=O)OCCCCSC[C@@H]1CO1 62a_100000745022_100000033659 [0,1,0,1,0,0|2,0,0]=4 27735 B13R1.1052 CC(=O)OCCCNCCC1CC1 34a_100000764129_100000042594 [0,1,0,1,0,0|1,0,0]=3 27736 B13R1.1052 CC(=O)OCCCOCCC1CC1 34a_100000754188_100000042594 [0,1,0,1,0,0|1,0,0]=3 27737 B13R1.1052 CC(=O)OCCCOCCC1CC1 7a_100000754188_100000042594 [0,1,0,1,0,0|1,0,0]=3 27738 B13R1.1052 CC(=O)OCCCOCC[C@@H]1CO1 34a_100009820653_100000042594 [0,1,0,1,0,0|2,0,0]=4 27739 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000042594_100000764125 [0,1,0,1,0,0|1,0,0]=3 27740 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000764125_100000042594 [0,1,0,1,0,0|1,0,0]=3 27741 B13R1.1052 CC(=O)OCCCSCCC1CO1 62a_100000042594_100000732470 [0,1,0,1,0,0|2,0,0]=4 27742 B13R1.1052 CC(=O)OCCCSCCC1CO1 62a_100000732470_100000042594 [0,1,0,1,0,0|2,0,0]=4 27743 B13R1.1052 CC(=O)OCCOCCNC1CC1 34a_100000212008_200000083610 [0,1,0,1,0,0|2,0,0]=4 27744 B13R1.1052 CC(=O)OCCOCCNC1CC1 34a_100000738766_100009814007 [0,1,0,1,0,0|2,0,0]=4 27745 B13R1.1052 CC(=O)OCCOCCSC1CC1 62a_200000083610_100000211595 [0,1,0,1,0,0|2,0,0]=4 27746 B13R1.1052 CC(=O)OCCOCNCC1CC1 34a_100000735609_100000076355 [0,1,0,1,0,0|2,0,0]=4 27747 B13R1.1052 CC(=O)OCCOCOCC1CC1 34a_100000211283_100000076355 [0,1,0,1,0,0|2,0,0]=4 27748 B13R1.1052 CC(=O)OCCOCSCC1CC1 62a_100000076355_100000742324 [0,1,0,1,0,0|2,0,0]=4 27749 B13R1.1052 CC(=O)OCCOCSCC1CC1 62a_100000756562_100000076355 [0,1,0,1,0,0|2,0,0]=4 27750 B13R1.1052 CC(=O)OCCSCCCC1CO1 62a_100000733510_100009814007 [0,1,0,1,0,0|2,0,0]=4 27751 B13R1.1052 CC(=O)OCCSCCCC1CO1 62a_100009814007_100000733510 [0,1,0,1,0,0|2,0,0]=4 27752 B13R1.1052 CC(=O)SCCCCNCC1CC1 2230a_100000735609_200010402107 [0,1,0,1,0,0|1,0,0]=3 27753 B13R1.1052 CC(=O)SCCCCNCC1CC1 34a_100000735609_200010402107 [0,1,0,1,0,0|1,0,0]=3 27754 B13R1.1052 CC(=O)SCCCCOCC1CC1 34a_100000211283_200010402107 [0,1,0,1,0,0|1,0,0]=3 27755 B13R1.1052 CC(=O)SCCCCOC[C@@H]1CO1 34a_100000757423_200010402107 [0,1,0,1,0,0|2,0,0]=4 27756 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_100000756562_200010402107 [0,1,0,1,0,0|1,0,0]=3 27757 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_200010402107_100000742324 [0,1,0,1,0,0|1,0,0]=3 27758 B13R1.1052 CC(=O)SCCCCSCC1CO1 62a_102125554688_200010402107 [0,1,0,1,0,0|2,0,0]=4 27759 B13R1.1052 CC(=O)SCCCCSCC1CO1 62a_200010402107_102125554688 [0,1,0,1,0,0|2,0,0]=4 27760 B13R1.1052 CC(=O)SCCCCSCC1CS1 62a_100000031435_200010402107 [0,1,0,1,0,0|2,0,0]=4 27761 B13R1.1052 CC(=O)SCCCCSCC1CS1 62a_200010402107_100000031435 [0,1,0,1,0,0|2,0,0]=4 27762 B13R1.1052 CC(=O)SCCCCSC[C@@H]1CO1 62a_100000745022_200010402107 [0,1,0,1,0,0|2,0,0]=4 27763 B13R1.1052 CC(=O)SCCCCSC[C@@H]1CO1 62a_200010402107_100000745022 [0,1,0,1,0,0|2,0,0]=4 27764 B13R1.1052 CC(=O)SCCCNCCC1CC1 34a_100000764129_100000038929 [0,1,0,1,0,0|1,0,0]=3 27765 B13R1.1052 CC(=O)SCCCOCCC1CC1 34a_100000754188_100000038929 [0,1,0,1,0,0|1,0,0]=3 27766 B13R1.1052 CC(=O)SCCCOCCC1CC1 7a_100000754188_100000038929 [0,1,0,1,0,0|1,0,0]=3 27767 B13R1.1052 CC(=O)SCCCOCC[C@@H]1CO1 34a_100009820653_100000038929 [0,1,0,1,0,0|2,0,0]=4 27768 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000038929_100000764125 [0,1,0,1,0,0|1,0,0]=3 27769 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000764125_100000038929 [0,1,0,1,0,0|1,0,0]=3 27770 B13R1.1052 CC(=O)SCCCSCCC1CO1 62a_100000038929_100000732470 [0,1,0,1,0,0|2,0,0]=4 27771 B13R1.1052 CC(=O)SCCCSCCC1CO1 62a_100000732470_100000038929 [0,1,0,1,0,0|2,0,0]=4 27772 B13R1.1052 CC(=S)OCCCNCCC1CC1 34a_100000764129_200135323944 [0,1,0,1,0,0|1,1,0]=4 27773 B13R1.1052 CC(=S)OCCCOCCC1CC1 34a_100000754188_200135323944 [0,1,0,1,0,0|1,1,0]=4 27774 B13R1.1052 CC(=S)OCCCOCCC1CC1 7a_100000754188_200135323944 [0,1,0,1,0,0|1,1,0]=4 27775 B13R1.1052 CC(=S)OCCCSCCC1CC1 62a_100000764125_200135323944 [0,1,0,1,0,0|1,1,0]=4 27776 B13R1.1052 CC(=S)OCCCSCCC1CC1 62a_200135323944_100000764125 [0,1,0,1,0,0|1,1,0]=4 27777 B13R1.1052 CC(C)CCCCCCNC1CC1 34a_100000211014_100000211595 [0,1,0,1,0,0|1,0,1]=4 27778 B13R1.1052 CC(C)CCCCCNCC1CC1 2230a_100000735609_100000210682 [0,1,0,1,0,0|1,0,1]=4 27779 B13R1.1052 CC(C)CCCCCNCC1CC1 2230a_100011290863_100000742324 [0,1,0,1,0,0|1,0,1]=4 27780 B13R1.1052 CC(C)CCCCCNCC1CC1 269862a_100011290863_100000741477 [0,1,0,1,0,0|1,0,1]=4 27781 B13R1.1052 CC(C)CCCCCNCC1CC1 34a_100000735609_100000210682 [0,1,0,1,0,0|1,0,1]=4 27782 B13R1.1052 CC(C)CCCCCNCC1CC1 34a_100011290863_100000742324 [0,1,0,1,0,0|1,0,1]=4 27783 B13R1.1052 CC(C)CCCCCOCC1CC1 34a_100000211283_100000210682 [0,1,0,1,0,0|1,0,1]=4 27784 B13R1.1052 CC(C)CCCCCOCC1CC1 34a_100011995859_100000742324 [0,1,0,1,0,0|1,0,1]=4 27785 B13R1.1052 CC(C)CCCCCOCC1CC1 7a_100011995859_100000742324 [0,1,0,1,0,0|1,0,1]=4 27786 B13R1.1052 CC(C)CCCCCSCC1CC1 62a_100000210682_100000742324 [0,1,0,1,0,0|1,0,1]=4 27787 B13R1.1052 CC(C)CCCCCSCC1CC1 62a_100000756562_100000210682 [0,1,0,1,0,0|1,0,1]=4 27788 B13R1.1052 CC(C)CCCCNCCC1CC1 34a_100000764129_100011216152 [0,1,0,1,0,0|1,0,1]=4 27789 B13R1.1052 CC(C)CCCCOCCC1CC1 34a_100000754188_100011216152 [0,1,0,1,0,0|1,0,1]=4 27790 B13R1.1052 CC(C)CCCCOCCC1CC1 34a_100011214890_100000694398 [0,1,0,1,0,0|1,0,1]=4 27791 B13R1.1052 CC(C)CCCCOCCC1CC1 7a_100000754188_100011216152 [0,1,0,1,0,0|1,0,1]=4 27792 B13R1.1052 CC(C)CCCCOCCC1CC1 7a_100011214890_100000764125 [0,1,0,1,0,0|1,0,1]=4 27793 B13R1.1052 CC(C)CCCCSCCC1CC1 62a_100000764125_100011216152 [0,1,0,1,0,0|1,0,1]=4 27794 B13R1.1052 CC(C)CCCCSCCC1CC1 62a_100011216152_100000764125 [0,1,0,1,0,0|1,0,1]=4 27795 B13R1.1052 CN(C)CCCCCNCC1CC1 269862a_100020635752_100000741477 [0,1,0,1,0,0|2,0,0]=4 27796 B13R1.1052 CN(C)CCCCSCCC1CC1 62a_100000764125_100000690147 [0,1,0,1,0,0|2,0,0]=4 27797 B13R1.1052 CS(=O)CCCNCCCC1CO1 2230a_200000753449_100000733510 [0,1,0,1,0,0|2,0,0]=4 27798 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [0,1,0,1,0,0|1,0,0]=3 27799 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [0,1,0,1,0,0|1,0,0]=3 27800 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [0,1,0,1,0,0|1,0,0]=3 27801 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [0,1,0,1,0,0|1,0,0]=3 27802 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [0,1,0,1,0,0|1,0,0]=3 27803 B13R1.1052 NC(=O)CCCCCOCC1CO1 34a_100000123541_102125554688 [0,1,0,1,0,0|2,0,0]=4 27804 B13R1.1052 NC(=O)CCCCCOCC1CO1 7a_100000123541_102125554688 [0,1,0,1,0,0|2,0,0]=4 27805 B13R1.1052 NC(=O)CCCCCOCC1CS1 7a_100000123541_100000031435 [0,1,0,1,0,0|2,0,0]=4 27806 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 34a_100000757423_100009817443 [0,1,0,1,0,0|2,0,0]=4 27807 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 7a_100000123541_100000745022 [0,1,0,1,0,0|2,0,0]=4 27808 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [0,1,0,1,0,0|1,0,0]=3 27809 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [0,1,0,1,0,0|1,0,0]=3 27810 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_100009817443_102125554688 [0,1,0,1,0,0|2,0,0]=4 27811 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_102125554688_100009817443 [0,1,0,1,0,0|2,0,0]=4 27812 B13R1.1052 NC(=O)CCCCCSCC1CS1 62a_100000031435_100009817443 [0,1,0,1,0,0|2,0,0]=4 27813 B13R1.1052 NC(=O)CCCCCSCC1CS1 62a_100009817443_100000031435 [0,1,0,1,0,0|2,0,0]=4 27814 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100000745022_100009817443 [0,1,0,1,0,0|2,0,0]=4 27815 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100009817443_100000745022 [0,1,0,1,0,0|2,0,0]=4 27816 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [0,1,0,1,0,0|1,0,0]=3 27817 B13R1.1052 NC(=O)CCCCNCCC1CO1 34a_100000696515_100000732470 [0,1,0,1,0,0|2,0,0]=4 27818 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [0,1,0,1,0,0|1,0,0]=3 27819 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [0,1,0,1,0,0|1,0,0]=3 27820 B13R1.1052 NC(=O)CCCCOCCC1CO1 34a_100012022536_100000732470 [0,1,0,1,0,0|2,0,0]=4 27821 B13R1.1052 NC(=O)CCCCOCCC1CO1 7a_100012022536_100000732470 [0,1,0,1,0,0|2,0,0]=4 27822 B13R1.1052 NC(=O)CCCNCCCC1CO1 34a_100000739312_100000733510 [0,1,0,1,0,0|2,0,0]=4 27823 B13R1.1052 NC(=O)CCCOCCNC1CC1 34a_100000738766_100102525003 [0,1,0,1,0,0|2,0,0]=4 27824 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100000733510_100102525003 [0,1,0,1,0,0|2,0,0]=4 27825 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100102525003_100000733510 [0,1,0,1,0,0|2,0,0]=4 27826 B13R1.1052 NC(=O)COCCNCCC1CC1 34a_100000764129_100000076697 [0,1,0,1,0,0|2,0,0]=4 27827 B13R1.1052 NC(=O)COCCOCCC1CC1 34a_100000754188_100000076697 [0,1,0,1,0,0|2,0,0]=4 27828 B13R1.1052 NC(=O)COCCOCCC1CC1 7a_100000754188_100000076697 [0,1,0,1,0,0|2,0,0]=4 27829 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000076697_100000764125 [0,1,0,1,0,0|2,0,0]=4 27830 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000764125_100000076697 [0,1,0,1,0,0|2,0,0]=4 27831 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,1,0,1,0,0|2,0,0]=4 27832 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [0,1,0,1,0,0|1,0,0]=3 27833 B13R1.1052 O=C([O-])CCCCCOCC1CO1 7a_100102619762_102125554688 [0,1,0,1,0,0|2,0,0]=4 27834 B13R1.1052 O=C([O-])CCCCCOCC1CS1 7a_100102619762_100000031435 [0,1,0,1,0,0|2,0,0]=4 27835 B13R1.1052 O=C([O-])CCCCCOC[C@@H]1CO1 7a_100102619762_100000745022 [0,1,0,1,0,0|2,0,0]=4 27836 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 34a_200015379883_100000694398 [0,1,0,1,0,0|2,0,0]=4 27837 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 7a_200015379883_100000764125 [0,1,0,1,0,0|2,0,0]=4 27838 B13R1.1148 CCCCCN1CCCCC(C1)O 2230a_100025706797_100000210326 [0,1,0,1,0,0|0,0,2]=4 27839 B13R1.1148 CCCCCN1CCCCC(C1)O 269982a_100025706797_100000210215 [0,1,0,1,0,0|0,0,2]=4 27840 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [0,1,0,1,0,0|1,0,0]=3 27841 B13R1.1148 CCOCCN1CCCNC(=O)C1 2230a_100015190381_100011215890 [0,1,0,1,0,0|2,0,0]=4 27842 B13R1.1148 CCSCCN1CCCNC(=O)C1 2230a_100015190381_100000757381 [0,1,0,1,0,0|2,0,0]=4 27843 B13R1.1148 COCCCN1CCCNC(=O)C1 2230a_100015190381_100000740836 [0,1,0,1,0,0|2,0,0]=4 27844 B13R1.1148 O=C1CN(CCCN1)CCCCF 2230a_100015190381_100000729493 [0,1,0,1,0,0|2,0,0]=4 27845 B13R1.1148 O=C1CN(CCCN1)CCCCO 2230a_100015190381_100000210776 [0,1,0,1,0,0|2,0,0]=4 27846 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,1,0,1,0,0|1,0,0]=3 27847 B13R1.3435 CCCCOCN1CCC1C(=O)O 269956a_100000021838_100011995733 [0,1,0,1,0,0|2,0,0]=4 27848 B13R1.3435 CCCOCCN1CCC1C(=O)O 269956a_100000021838_100011215938 [0,1,0,1,0,0|2,0,0]=4 27849 B13R1.3435 CCOCCCN1CCC1C(=O)O 269956a_100000021838_100012232248 [0,1,0,1,0,0|2,0,0]=4 27850 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [0,1,0,1,0,0|2,0,0]=4 27851 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [0,1,0,1,0,0|2,0,0]=4 27852 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,1,0,1,0,0|2,0,0]=4 27853 B13R1.9 C=C1CCC(CC1)COCCCC 34a_100000074039_100000210210 [0,1,0,1,0,0|2,0,0]=4 27854 B13R1.9 C=C1CCC(CC1)NCCCCC 270004a_100000209983_100010272673 [0,1,0,1,0,0|2,0,0]=4 27855 B13R1.9 C=C1CCN(CC1)CCCCCC 2230a_100000752442_100000210314 [0,1,0,1,0,0|2,0,0]=4 27856 B13R1.9 C=C1CCN(CC1)CCCCCC 269982a_100000752442_100000210757 [0,1,0,1,0,0|2,0,0]=4 27857 B13R1.9 C=C1CCN(CC1)CCCCCC 34a_100000752442_100000210314 [0,1,0,1,0,0|2,0,0]=4 27858 B13R1.9 CCCCCCN1CC=C(CC1)C 2230a_100000693516_100000210314 [0,1,0,1,0,0|2,0,0]=4 27859 B13R1.9 CCCCCCN1CC=C(CC1)C 269982a_100000693516_100000210757 [0,1,0,1,0,0|2,0,0]=4 27860 B13R1.9 CCCCCCN1CC=C(CC1)C 34a_100000693516_100000210314 [0,1,0,1,0,0|2,0,0]=4 27861 B13R1.9 CCCCCCN1CCS(=O)CC1 2230a_100000752083_100000210314 [0,1,0,1,0,0|2,0,0]=4 27862 B13R1.9 CCCCCCN1CCS(=O)CC1 269982a_100000752083_100000210757 [0,1,0,1,0,0|2,0,0]=4 27863 B13R1.9 CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210326 [0,1,0,1,0,0|1,0,0]=3 27864 B13R1.9 CCCCCNC1CCC(=O)NC1 34a_100000748762_100000718602 [0,1,0,1,0,0|1,0,0]=3 27865 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [0,1,0,1,0,0|1,0,0]=3 27866 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [0,1,0,1,0,0|1,0,0]=3 27867 B13R1.9 CCCCCOC1CCC(=O)NC1 34a_100000079199_100000718602 [0,1,0,1,0,0|1,0,0]=3 27868 B13R1.9 CCCCCOC1CNC(=O)NC1 34a_100000080929_100000718602 [0,1,0,1,0,0|2,0,0]=4 27869 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [0,1,0,1,0,0|1,0,0]=3 27870 B13R1.9 CCOCCNC1CCC(=O)NC1 2230a_100000748762_100011215890 [0,1,0,1,0,0|2,0,0]=4 27871 B13R1.9 CCOCCNC1CCC(=O)NC1 34a_100000748762_100000210147 [0,1,0,1,0,0|2,0,0]=4 27872 B13R1.9 CCOCCOC1CCC(=O)CC1 34a_100000764474_100000210147 [0,1,0,1,0,0|2,0,0]=4 27873 B13R1.9 CCOCCOC1CCC(=O)CC1 7a_100000764474_100011215890 [0,1,0,1,0,0|2,0,0]=4 27874 B13R1.9 CCOCCOC1CCC(=O)NC1 34a_100000079199_100000210147 [0,1,0,1,0,0|2,0,0]=4 27875 B13R1.9 CCSCCNC1CCC(=O)NC1 2230a_100000748762_100000757381 [0,1,0,1,0,0|2,0,0]=4 27876 B13R1.9 CCSCCNC1CCC(=O)NC1 34a_100000748762_100000757381 [0,1,0,1,0,0|2,0,0]=4 27877 B13R1.9 CCSCCOC1CCC(=O)CC1 34a_100000764474_100000757381 [0,1,0,1,0,0|2,0,0]=4 27878 B13R1.9 CCSCCOC1CCC(=O)CC1 7a_100000764474_100000757381 [0,1,0,1,0,0|2,0,0]=4 27879 B13R1.9 CCSCCOC1CCC(=O)NC1 34a_100000079199_100000757381 [0,1,0,1,0,0|2,0,0]=4 27880 B13R1.9 COCCCNC1CCC(=O)NC1 2230a_100000748762_100000740836 [0,1,0,1,0,0|2,0,0]=4 27881 B13R1.9 COCCCNC1CCC(=O)NC1 34a_100000748762_100000740836 [0,1,0,1,0,0|2,0,0]=4 27882 B13R1.9 COCCCOC1CCC(=O)CC1 34a_100000764474_100000740836 [0,1,0,1,0,0|2,0,0]=4 27883 B13R1.9 COCCCOC1CCC(=O)CC1 7a_100000764474_100000740836 [0,1,0,1,0,0|2,0,0]=4 27884 B13R1.9 COCCCOC1CCC(=O)NC1 34a_100000079199_100000740836 [0,1,0,1,0,0|2,0,0]=4 27885 B13R1.9 COCCOCC1CCC(=O)CC1 34a_100000062911_100011201679 [0,1,0,1,0,0|2,0,0]=4 27886 B13R1.9 CSCCOCC1CCC(=O)CC1 34a_100000062911_100000212216 [0,1,0,1,0,0|2,0,0]=4 27887 B13R1.9 O=C1CCC(CC1)COCCCF 34a_100000062911_100011934791 [0,1,0,1,0,0|2,0,0]=4 27888 B13R1.9 O=C1CCC(CC1)COCCCO 34a_100000062911_100000230001 [0,1,0,1,0,0|2,0,0]=4 27889 B13R1.9 O=C1CCC(CC1)OCCCCF 34a_100000764474_100000729493 [0,1,0,1,0,0|2,0,0]=4 27890 B13R1.9 O=C1CCC(CC1)OCCCCF 7a_100000764474_100000729493 [0,1,0,1,0,0|2,0,0]=4 27891 B13R1.9 O=C1CCC(CC1)OCCCCO 34a_100000764474_100011216708 [0,1,0,1,0,0|2,0,0]=4 27892 B13R1.9 O=C1CCC(CC1)OCCCCO 7a_100000764474_100000210776 [0,1,0,1,0,0|2,0,0]=4 27893 B13R1.9 O=C1CCC(CN1)NCCCCF 2230a_100000748762_100000729493 [0,1,0,1,0,0|2,0,0]=4 27894 B13R1.9 O=C1CCC(CN1)NCCCCF 34a_100000748762_100000729493 [0,1,0,1,0,0|2,0,0]=4 27895 B13R1.9 O=C1CCC(CN1)NCCCCO 2230a_100000748762_100000210776 [0,1,0,1,0,0|2,0,0]=4 27896 B13R1.9 O=C1CCC(CN1)NCCCCO 34a_100000748762_100011216708 [0,1,0,1,0,0|2,0,0]=4 27897 B13R1.9 O=C1CCC(CN1)OCCCCF 34a_100000079199_100000729493 [0,1,0,1,0,0|2,0,0]=4 27898 B13R1.9 O=C1CCC(CN1)OCCCCO 34a_100000079199_100011216708 [0,1,0,1,0,0|2,0,0]=4 27899 B13R1.16 CCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210326 [0,1,0,1,0,0|2,0,0]=4 27900 B13R1.16 CCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210215 [0,1,0,1,0,0|2,0,0]=4 27901 B13R1.16 CCCCCN1CCNC(=O)C1C 34a_100000750721_100000718602 [0,1,0,1,0,0|2,0,0]=4 27902 B13R1.16 CCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210303 [0,1,0,1,0,0|1,0,0]=3 27903 B13R1.16 CCCNCC1CCCC(=O)N1C 34a_200010383782_100000210303 [0,1,0,1,0,0|1,0,0]=3 27904 B13R1.16 CN1C(=O)CCCC1CNCCF 2230a_200010383782_100011217306 [0,1,0,1,0,0|2,0,0]=4 27905 B13R1.16 CN1C(=O)CCCC1CNCCF 34a_200010383782_100011217306 [0,1,0,1,0,0|2,0,0]=4 27906 B13R1.16 CN1C(=O)CCCC1CNCCO 2230a_200010383782_100000211926 [0,1,0,1,0,0|2,0,0]=4 27907 B13R1.16 CN1C(=O)CCCC1CNCCO 34a_200010383782_100000211926 [0,1,0,1,0,0|2,0,0]=4 27908 B13R1.16 COCNCC1CCCC(=O)N1C 2230a_200010383782_100000766300 [0,1,0,1,0,0|2,0,0]=4 27909 B13R1.16 CSCNCC1CCCC(=O)N1C 2230a_200010383782_100011218213 [0,1,0,1,0,0|2,0,0]=4 27910 B13R1.16 CSCNCC1CCCC(=O)N1C 34a_200010383782_100011218213 [0,1,0,1,0,0|2,0,0]=4 27911 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [0,1,0,1,0,0|1,0,0]=3 27912 B13R1.91 CCC(=O)CN1CCCCC1CO 269982a_100000210821_100000747405 [0,1,0,1,0,0|2,0,0]=4 27913 B13R1.91 CCC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000747405 [0,1,0,1,0,0|2,0,0]=4 27914 B13R1.91 CCC(=O)NC1CCCCC1OC 11a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 27915 B13R1.91 CCC(=O)NC1CCCCC1OC 1626a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 27916 B13R1.91 CCC(=O)NC1CCCCC1OC 240690a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 27917 B13R1.91 CCC(=O)NC1CCCCC1OC 527a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 27918 B13R1.91 CCC1CCCCN1CC(=O)NC 2230a_100000210034_100000183359 [0,1,0,1,0,0|1,0,0]=3 27919 B13R1.91 CCC1CCCCN1CC(=O)NC 269982a_100000210034_100000183359 [0,1,0,1,0,0|1,0,0]=3 27920 B13R1.91 CCC1CCCCN1CC(=O)NC 34a_100000210034_100000183359 [0,1,0,1,0,0|1,0,0]=3 27921 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 27922 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 27923 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 27924 B13R1.91 CCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210202 [0,1,0,1,0,0|2,0,0]=4 27925 B13R1.91 CCN1CCOCC1CC(=O)OC 34a_100000731486_100000210202 [0,1,0,1,0,0|2,0,0]=4 27926 B13R1.91 CC[C@H]1COCCN1CC(=O)NC 2230a_100016988097_100000183359 [0,1,0,1,0,0|2,0,0]=4 27927 B13R1.91 CC[C@H]1COCCN1CC(=O)NC 269982a_100016988097_100000183359 [0,1,0,1,0,0|2,0,0]=4 27928 B13R1.91 CC[C@H]1COCCN1CC(=O)NC 34a_100016988097_100000183359 [0,1,0,1,0,0|2,0,0]=4 27929 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 2230a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 27930 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 269982a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 27931 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 34a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 27932 B13R1.91 CNC(=O)CN1CCCCC1CO 2230a_100000210821_100000183359 [0,1,0,1,0,0|2,0,0]=4 27933 B13R1.91 CNC(=O)CN1CCCCC1CO 269982a_100000210821_100000183359 [0,1,0,1,0,0|2,0,0]=4 27934 B13R1.91 CNC(=O)CN1CCCCC1CO 34a_100000210821_100000183359 [0,1,0,1,0,0|2,0,0]=4 27935 B13R1.91 CNC(=O)NC1CCCCC1OC 2708a_100011208099_106832991635 [0,1,0,1,0,0|2,0,0]=4 27936 B13R1.91 CNC(=O)NC1CCCCC1OC 2708a_100102657272_100011208099 [0,1,0,1,0,0|2,0,0]=4 27937 B13R1.91 CNC(=O)NC1CCCCC1OC 273464a_100011208099_100102657272 [0,1,0,1,0,0|2,0,0]=4 27938 B13R1.91 CNC(=O)NC1CCCCC1OC 273464a_100102657272_100011208099 [0,1,0,1,0,0|2,0,0]=4 27939 B13R1.91 CNC(=O)NC1CCCCC1OC 512a_100011208099_100102657272 [0,1,0,1,0,0|2,0,0]=4 27940 B13R1.91 CNC(=O)NC1CCCCC1OC 512a_106832991638_100011208099 [0,1,0,1,0,0|2,0,0]=4 27941 B13R1.91 COC(=O)CN1CCCCC1CO 2230a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 27942 B13R1.91 COC(=O)CN1CCCCC1CO 269982a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 27943 B13R1.91 COC(=O)CN1CCCCC1CO 34a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 27944 B13R1.91 COC1CCCCC1NC(=O)CO 240690a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 27945 B13R1.91 COC1CCCCC1NC(=O)CO 527a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 27946 B13R1.222 CNC(=O)CCN1CCC1COC 2230a_100015195929_100000737683 [0,1,0,1,0,0|2,0,0]=4 27947 B13R1.222 CNC(=O)CCN1CCC1COC 269982a_100015195929_100000737683 [0,1,0,1,0,0|2,0,0]=4 27948 B13R1.222 CNC(=O)CCN1CCC1COC 34a_100015195929_100012179268 [0,1,0,1,0,0|2,0,0]=4 27949 B13R1.222 COCC1CCN1CCC(=O)OC 2230a_100015195929_100000204255 [0,1,0,1,0,0|2,0,0]=4 27950 B13R1.222 COCC1CCN1CCC(=O)OC 269982a_100015195929_100000204255 [0,1,0,1,0,0|2,0,0]=4 27951 B13R1.222 COCC1CCN1CCC(=O)OC 34a_100015195929_100000742370 [0,1,0,1,0,0|2,0,0]=4 27952 B13R1.382 C=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000185746 [0,1,0,1,0,0|1,0,1]=4 27953 B13R1.382 C=CC(=O)N1CCCCC1CCC 240690a_100000701414_200121576911 [0,1,0,1,0,0|1,0,1]=4 27954 B13R1.382 CCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210414 [0,1,0,1,0,0|2,0,0]=4 27955 B13R1.382 CCC(=O)N1CCCCC1COC 11a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 27956 B13R1.382 CCC(=O)N1CCCCC1COC 1626a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 27957 B13R1.382 CCC(=O)N1CCCCC1COC 240690a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 27958 B13R1.382 CCC(=O)N1CCCCC1COC 527a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 27959 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 27960 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 27961 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 27962 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 27963 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,1,0,1,0,0|1,0,0]=3 27964 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,1,0,1,0,0|1,0,0]=3 27965 B13R1.382 CCCC1CCCCN1C(=O)NC 2708a_100102657272_100000701414 [0,1,0,1,0,0|1,0,0]=3 27966 B13R1.382 CCCC1CCCCN1C(=O)NC 273464a_100102657272_100000701414 [0,1,0,1,0,0|1,0,0]=3 27967 B13R1.382 CCCC1COCCN1C(=O)CC 11a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 27968 B13R1.382 CCCC1COCCN1C(=O)CC 1626a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 27969 B13R1.382 CCCC1COCCN1C(=O)CC 240690a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 27970 B13R1.382 CCCC1COCCN1C(=O)CC 527a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 27971 B13R1.382 CCCC1COCCN1C(=O)CO 240690a_102495339903_100000210174 [0,1,0,1,0,0|2,0,0]=4 27972 B13R1.382 CCCC1COCCN1C(=O)CO 527a_102495339903_100000210174 [0,1,0,1,0,0|2,0,0]=4 27973 B13R1.382 CCCC1COCCN1C(=O)NC 2708a_100102657272_102495339903 [0,1,0,1,0,0|2,0,0]=4 27974 B13R1.382 CCCC1COCCN1C(=O)NC 273464a_100102657272_102495339903 [0,1,0,1,0,0|2,0,0]=4 27975 B13R1.382 CCCN1CCCCC1C(=O)CC 1458a_100000743559_100000210202 [0,1,0,1,0,0|1,0,0]=3 27976 B13R1.382 CCCN1CCCCC1C(=O)CF 1458a_100000743559_100015361967 [0,1,0,1,0,0|1,0,0]=3 27977 B13R1.382 CCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210303 [0,1,0,1,0,0|1,0,0]=3 27978 B13R1.382 CCCN1CCCCC1C(=O)NC 240690a_100102657272_100000743559 [0,1,0,1,0,0|1,0,0]=3 27979 B13R1.382 CCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210303 [0,1,0,1,0,0|1,0,0]=3 27980 B13R1.382 CCCN1CCCCC1C(=O)NC 34a_100011209383_100000210303 [0,1,0,1,0,0|1,0,0]=3 27981 B13R1.382 CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210303 [0,1,0,1,0,0|1,0,0]=3 27982 B13R1.382 CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210303 [0,1,0,1,0,0|1,0,0]=3 27983 B13R1.382 CCCN1CCCCC1C(=O)OC 34a_100000734855_100000210303 [0,1,0,1,0,0|1,0,0]=3 27984 B13R1.382 CCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210303 [0,1,0,1,0,0|2,0,0]=4 27985 B13R1.382 CCCN1CCOCC1C(=O)OC 34a_100000765174_100000210303 [0,1,0,1,0,0|2,0,0]=4 27986 B13R1.382 CCOC1CCNCC1C(=O)OC 34a_200103168510_100000210202 [0,1,0,1,0,0|2,0,0]=4 27987 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210202 [0,1,0,1,0,0|1,0,0]=3 27988 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210202 [0,1,0,1,0,0|1,0,0]=3 27989 B13R1.382 CNC(=O)C1CCCCN1CCF 2230a_100011209383_100011217306 [0,1,0,1,0,0|2,0,0]=4 27990 B13R1.382 CNC(=O)C1CCCCN1CCF 269982a_100011209383_100011217306 [0,1,0,1,0,0|2,0,0]=4 27991 B13R1.382 CNC(=O)C1CCCCN1CCF 34a_100011209383_100011217306 [0,1,0,1,0,0|2,0,0]=4 27992 B13R1.382 CNC(=O)C1CCCCN1CCO 2230a_100011209383_100000211926 [0,1,0,1,0,0|2,0,0]=4 27993 B13R1.382 CNC(=O)C1CCCCN1CCO 269982a_100011209383_100000211926 [0,1,0,1,0,0|2,0,0]=4 27994 B13R1.382 CNC(=O)C1CCCCN1CCO 34a_100011209383_100000211926 [0,1,0,1,0,0|2,0,0]=4 27995 B13R1.382 CNC(=O)C1CCCCN1COC 2230a_100011209383_100000766300 [0,1,0,1,0,0|2,0,0]=4 27996 B13R1.382 CNC(=O)C1CCCCN1COC 269982a_100011209383_100000766300 [0,1,0,1,0,0|2,0,0]=4 27997 B13R1.382 CNC(=O)C1CCCCN1CSC 2230a_100011209383_100011218213 [0,1,0,1,0,0|2,0,0]=4 27998 B13R1.382 CNC(=O)C1CCCCN1CSC 269982a_100011209383_100011218213 [0,1,0,1,0,0|2,0,0]=4 27999 B13R1.382 CNC(=O)C1CCCCN1CSC 34a_100011209383_100011218213 [0,1,0,1,0,0|2,0,0]=4 28000 B13R1.382 CNC(=O)N1CCCCC1CCO 2708a_100102657272_100000211664 [0,1,0,1,0,0|2,0,0]=4 28001 B13R1.382 CNC(=O)N1CCCCC1CCO 273464a_100102657272_100000211664 [0,1,0,1,0,0|2,0,0]=4 28002 B13R1.382 CNC(=O)N1CCCCC1COC 2708a_100102657272_100015184032 [0,1,0,1,0,0|2,0,0]=4 28003 B13R1.382 CNC(=O)N1CCCCC1COC 273464a_100102657272_100015184032 [0,1,0,1,0,0|2,0,0]=4 28004 B13R1.382 COC(=O)C1CCCCN1CCF 2230a_100000734855_100011217306 [0,1,0,1,0,0|2,0,0]=4 28005 B13R1.382 COC(=O)C1CCCCN1CCF 269982a_100000734855_100011217306 [0,1,0,1,0,0|2,0,0]=4 28006 B13R1.382 COC(=O)C1CCCCN1CCF 34a_100000734855_100011217306 [0,1,0,1,0,0|2,0,0]=4 28007 B13R1.382 COC(=O)C1CCCCN1CCO 2230a_100000734855_100000211926 [0,1,0,1,0,0|2,0,0]=4 28008 B13R1.382 COC(=O)C1CCCCN1CCO 269982a_100000734855_100000211926 [0,1,0,1,0,0|2,0,0]=4 28009 B13R1.382 COC(=O)C1CCCCN1CCO 34a_100000734855_100000211926 [0,1,0,1,0,0|2,0,0]=4 28010 B13R1.382 COC(=O)C1CCCCN1CSC 2230a_100000734855_100011218213 [0,1,0,1,0,0|2,0,0]=4 28011 B13R1.382 COC(=O)C1CCCCN1CSC 269982a_100000734855_100011218213 [0,1,0,1,0,0|2,0,0]=4 28012 B13R1.382 COC(=O)C1CCCCN1CSC 34a_100000734855_100011218213 [0,1,0,1,0,0|2,0,0]=4 28013 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 34a_100015709673_100015361967 [0,1,0,1,0,0|2,0,0]=4 28014 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 7a_100015709673_100015361967 [0,1,0,1,0,0|2,0,0]=4 28015 B13R1.382 COCC1CCCCN1C(=O)CO 240690a_100015184032_100000210174 [0,1,0,1,0,0|2,0,0]=4 28016 B13R1.382 COCC1CCCCN1C(=O)CO 527a_100015184032_100000210174 [0,1,0,1,0,0|2,0,0]=4 28017 B13R1.382 COCN1CCCCC1C(=O)OC 2230a_100000734855_100000766300 [0,1,0,1,0,0|2,0,0]=4 28018 B13R1.382 COCN1CCCCC1C(=O)OC 269982a_100000734855_100000766300 [0,1,0,1,0,0|2,0,0]=4 28019 B13R1.382 O=C(CO)N1CCCCC1CCO 240690a_100000211664_100000210174 [0,1,0,1,0,0|2,0,0]=4 28020 B13R1.393 CCC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000747405 [0,1,0,1,0,0|2,0,0]=4 28021 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210303 [0,1,0,1,0,0|1,0,0]=3 28022 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210303 [0,1,0,1,0,0|1,0,0]=3 28023 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210303 [0,1,0,1,0,0|1,0,0]=3 28024 B13R1.393 CNC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000183359 [0,1,0,1,0,0|2,0,0]=4 28025 B13R1.393 CNC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000183359 [0,1,0,1,0,0|2,0,0]=4 28026 B13R1.393 CNC(=O)CN1CCC[C@H]1COC 34a_100020646714_100000183359 [0,1,0,1,0,0|2,0,0]=4 28027 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 2230a_100025726698_100011217306 [0,1,0,1,0,0|2,0,0]=4 28028 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 269982a_100025726698_100011217306 [0,1,0,1,0,0|2,0,0]=4 28029 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 34a_100025726698_100011217306 [0,1,0,1,0,0|2,0,0]=4 28030 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 2230a_100025726698_100000211926 [0,1,0,1,0,0|2,0,0]=4 28031 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 269982a_100025726698_100000211926 [0,1,0,1,0,0|2,0,0]=4 28032 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 34a_100025726698_100000211926 [0,1,0,1,0,0|2,0,0]=4 28033 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 2230a_100025726698_100011218213 [0,1,0,1,0,0|2,0,0]=4 28034 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 269982a_100025726698_100011218213 [0,1,0,1,0,0|2,0,0]=4 28035 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 34a_100025726698_100011218213 [0,1,0,1,0,0|2,0,0]=4 28036 B13R1.393 COCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000766300 [0,1,0,1,0,0|2,0,0]=4 28037 B13R1.393 COCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000766300 [0,1,0,1,0,0|2,0,0]=4 28038 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 2230a_100020646714_100000747449 [0,1,0,1,0,0|2,0,0]=4 28039 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 269982a_100020646714_100000747449 [0,1,0,1,0,0|2,0,0]=4 28040 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 34a_100020646714_100000747449 [0,1,0,1,0,0|2,0,0]=4 28041 B13R1.528 C#CC(=O)CCC1CCCCN1C 1458a_100000211873_100000211948 [0,1,0,1,0,0|1,0,1]=4 28042 B13R1.528 C=CC(=O)CCC1CCCCN1C 1458a_100000185746_100000211948 [0,1,0,1,0,0|1,0,1]=4 28043 B13R1.528 CC1CCCCC1OCC(=O)CF 1458a_100011223357_100015361967 [0,1,0,1,0,0|1,0,0]=3 28044 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [0,1,0,1,0,0|1,0,0]=3 28045 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [0,1,0,1,0,0|1,0,0]=3 28046 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [0,1,0,1,0,0|1,0,0]=3 28047 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [0,1,0,1,0,0|1,0,0]=3 28048 B13R1.528 CCC(=O)COC1CCCCC1Cl 7a_100000038908_100000747405 [0,1,0,1,0,0|2,0,0]=4 28049 B13R1.528 CCC(=O)COC1CCCCC1F 34a_100000725409_100015423560 [0,1,0,1,0,0|2,0,0]=4 28050 B13R1.528 CCC(=O)COC1CCCCC1O 34a_100000725409_100000038908 [0,1,0,1,0,0|2,0,0]=4 28051 B13R1.528 CCC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747405 [0,1,0,1,0,0|2,0,0]=4 28052 B13R1.528 CCC(=O)CSC1CCCCC1F 62a_100000747405_100015423560 [0,1,0,1,0,0|2,0,0]=4 28053 B13R1.528 CCC(=O)CSC1CCCCC1F 62a_100015423560_100000747405 [0,1,0,1,0,0|2,0,0]=4 28054 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000038908_100000747405 [0,1,0,1,0,0|2,0,0]=4 28055 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000747405_100000038908 [0,1,0,1,0,0|2,0,0]=4 28056 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [0,1,0,1,0,0|2,0,0]=4 28057 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [0,1,0,1,0,0|2,0,0]=4 28058 B13R1.528 CCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210414 [0,1,0,1,0,0|2,0,0]=4 28059 B13R1.528 CCC(=O)NCC1CCCCN1C 527a_100011228421_100000210414 [0,1,0,1,0,0|2,0,0]=4 28060 B13R1.528 CN1CCCCC1CCC(=O)CF 1458a_100000718493_100015361967 [0,1,0,1,0,0|1,0,0]=3 28061 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,0,1,0,0|1,0,0]=3 28062 B13R1.528 CN1CCCCC1CNC(=O)CO 240690a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 28063 B13R1.528 CN1CCCCC1CNC(=O)CO 527a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 28064 B13R1.528 CNC(=O)CCC1CCCCN1C 240690a_100102657272_100000718493 [0,1,0,1,0,0|1,0,0]=3 28065 B13R1.528 CNC(=O)CCC1CCCCN1C 527a_100102657272_100000718493 [0,1,0,1,0,0|1,0,0]=3 28066 B13R1.528 CNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737683 [0,1,0,1,0,0|1,0,0]=3 28067 B13R1.528 CNC(=O)CCN1CCCCC1C 240690a_100102657272_100000727554 [0,1,0,1,0,0|1,0,0]=3 28068 B13R1.528 CNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737683 [0,1,0,1,0,0|1,0,0]=3 28069 B13R1.528 CNC(=O)CCN1CCCCC1C 34a_100000211376_100012179268 [0,1,0,1,0,0|1,0,0]=3 28070 B13R1.528 CNC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000737683 [0,1,0,1,0,0|2,0,0]=4 28071 B13R1.528 CNC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000737683 [0,1,0,1,0,0|2,0,0]=4 28072 B13R1.528 CNC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100012179268 [0,1,0,1,0,0|2,0,0]=4 28073 B13R1.528 CNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183359 [0,1,0,1,0,0|1,0,0]=3 28074 B13R1.528 CNC(=O)CNC1CCCCC1C 269862a_100000693194_100000210921 [0,1,0,1,0,0|1,0,0]=3 28075 B13R1.528 CNC(=O)CNC1CCCCC1C 270004a_100000693194_100000210921 [0,1,0,1,0,0|1,0,0]=3 28076 B13R1.528 CNC(=O)CNC1CCCCC1C 34a_100000211402_100000183359 [0,1,0,1,0,0|1,0,0]=3 28077 B13R1.528 CNC(=O)CNC1CCNCC1C 270004a_100000693194_100000703950 [0,1,0,1,0,0|2,0,0]=4 28078 B13R1.528 CNC(=O)CNC1CCOCC1C 270004a_100000693194_100000755695 [0,1,0,1,0,0|2,0,0]=4 28079 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000183359 [0,1,0,1,0,0|2,0,0]=4 28080 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000183359 [0,1,0,1,0,0|2,0,0]=4 28081 B13R1.528 CNC(=O)COC1CCCCC1C 11a_106832991635_100011223357 [0,1,0,1,0,0|1,0,0]=3 28082 B13R1.528 CNC(=O)COC1CCCCC1C 1626a_100102657272_100011223357 [0,1,0,1,0,0|1,0,0]=3 28083 B13R1.528 CNC(=O)COC1CCCCC1C 240690a_100102657272_100011223357 [0,1,0,1,0,0|1,0,0]=3 28084 B13R1.528 CNC(=O)COC1CCCCC1C 34a_100000211207_100000183359 [0,1,0,1,0,0|1,0,0]=3 28085 B13R1.528 CNC(=O)COC1CCCCC1C 527a_100102657272_100011223357 [0,1,0,1,0,0|1,0,0]=3 28086 B13R1.528 CNC(=O)COC1CCCCC1C 7a_100000211207_100000183359 [0,1,0,1,0,0|1,0,0]=3 28087 B13R1.528 CNC(=O)COC1CCCCC1Cl 34a_100000038908_100000183359 [0,1,0,1,0,0|2,0,0]=4 28088 B13R1.528 CNC(=O)COC1CCCCC1Cl 7a_100000038908_100000183359 [0,1,0,1,0,0|2,0,0]=4 28089 B13R1.528 CNC(=O)COC1CCCCC1F 34a_100000750040_100015423560 [0,1,0,1,0,0|2,0,0]=4 28090 B13R1.528 CNC(=O)COC1CCCCC1O 34a_100000750040_100000038908 [0,1,0,1,0,0|2,0,0]=4 28091 B13R1.528 CNC(=O)COC1CCNCC1C 34a_100011998114_100000183359 [0,1,0,1,0,0|2,0,0]=4 28092 B13R1.528 CNC(=O)COC1CNCCC1C 34a_100000696640_100000183359 [0,1,0,1,0,0|2,0,0]=4 28093 B13R1.528 CNC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000183359 [0,1,0,1,0,0|2,0,0]=4 28094 B13R1.528 CNC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000183359 [0,1,0,1,0,0|2,0,0]=4 28095 B13R1.528 CNC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000183359 [0,1,0,1,0,0|2,0,0]=4 28096 B13R1.528 CNC(=O)CSC1CCCCC1F 62a_100000183359_100015423560 [0,1,0,1,0,0|2,0,0]=4 28097 B13R1.528 CNC(=O)CSC1CCCCC1F 62a_100015423560_100000183359 [0,1,0,1,0,0|2,0,0]=4 28098 B13R1.528 CNC(=O)CSC1CCCCC1O 62a_100000038908_100000183359 [0,1,0,1,0,0|2,0,0]=4 28099 B13R1.528 CNC(=O)CSC1CCCCC1O 62a_100000183359_100000038908 [0,1,0,1,0,0|2,0,0]=4 28100 B13R1.528 CNC(=O)NCC1CCCCC1O 2708a_100102657272_100011216029 [0,1,0,1,0,0|2,0,0]=4 28101 B13R1.528 CNC(=O)NCC1CCCCC1O 273464a_100102657272_100011216029 [0,1,0,1,0,0|2,0,0]=4 28102 B13R1.528 CNC(=O)NCC1CCCCC1O 512a_106832991638_100011216029 [0,1,0,1,0,0|2,0,0]=4 28103 B13R1.528 CNC(=O)NCC1CCCCN1C 2708a_100011228421_106832991635 [0,1,0,1,0,0|2,0,0]=4 28104 B13R1.528 CNC(=O)NCC1CCCCN1C 2708a_100102657272_100011228421 [0,1,0,1,0,0|2,0,0]=4 28105 B13R1.528 CNC(=O)NCC1CCCCN1C 273464a_100011228421_100102657272 [0,1,0,1,0,0|2,0,0]=4 28106 B13R1.528 CNC(=O)NCC1CCCCN1C 273464a_100102657272_100011228421 [0,1,0,1,0,0|2,0,0]=4 28107 B13R1.528 CNC(=O)NCC1CCCCN1C 512a_100011228421_100102657272 [0,1,0,1,0,0|2,0,0]=4 28108 B13R1.528 CNC(=O)NCC1CCCCN1C 512a_106832991638_100011228421 [0,1,0,1,0,0|2,0,0]=4 28109 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,1,0,1,0,0|1,0,0]=3 28110 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,1,0,1,0,0|1,0,0]=3 28111 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,1,0,1,0,0|1,0,0]=3 28112 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000204255 [0,1,0,1,0,0|2,0,0]=4 28113 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000204255 [0,1,0,1,0,0|2,0,0]=4 28114 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000742370 [0,1,0,1,0,0|2,0,0]=4 28115 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,1,0,1,0,0|1,0,0]=3 28116 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,1,0,1,0,0|1,0,0]=3 28117 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [0,1,0,1,0,0|2,0,0]=4 28118 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [0,1,0,1,0,0|2,0,0]=4 28119 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,1,0,1,0,0|1,0,0]=3 28120 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,1,0,1,0,0|1,0,0]=3 28121 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 28122 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 28123 B13R1.528 COC(=O)COC1CCNCC1C 34a_100011998114_100000747449 [0,1,0,1,0,0|2,0,0]=4 28124 B13R1.528 COC(=O)COC1CNCCC1C 34a_100000696640_100000747449 [0,1,0,1,0,0|2,0,0]=4 28125 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [0,1,0,1,0,0|2,0,0]=4 28126 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [0,1,0,1,0,0|2,0,0]=4 28127 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [0,1,0,1,0,0|2,0,0]=4 28128 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [0,1,0,1,0,0|2,0,0]=4 28129 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [0,1,0,1,0,0|2,0,0]=4 28130 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 28131 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [0,1,0,1,0,0|2,0,0]=4 28132 B13R1.528 O=C(CO)NCC1CCCCC1O 240690a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 28133 B13R1.528 O=C(CO)NCC1CCCCC1O 527a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 28134 B13R1.536 C=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000185746 [0,1,0,1,0,0|1,0,1]=4 28135 B13R1.536 C=CC(=O)NCCCC1CCCC1 240690a_100000736752_200121576911 [0,1,0,1,0,0|1,0,1]=4 28136 B13R1.536 CCC(=O)CCCCC1OCCO1 1458a_100000210414_100000034956 [0,1,0,1,0,0|2,0,0]=4 28137 B13R1.536 CCC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_100000210202 [0,1,0,1,0,0|2,0,0]=4 28138 B13R1.536 CCC(=O)COCCC1CCCC1 34a_100000725409_100000760354 [0,1,0,1,0,0|1,0,0]=3 28139 B13R1.536 CCC(=O)COCCC1CCCC1 7a_100000749090_100000747405 [0,1,0,1,0,0|1,0,0]=3 28140 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000747405_100000760354 [0,1,0,1,0,0|1,0,0]=3 28141 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000760354_100000747405 [0,1,0,1,0,0|1,0,0]=3 28142 B13R1.536 CCC(=O)CSCCN1CCCC1 1458a_200015187850_100000210202 [0,1,0,1,0,0|2,0,0]=4 28143 B13R1.536 CCC(=O)CSCCN1CCCC1 62a_100000700749_100000747405 [0,1,0,1,0,0|2,0,0]=4 28144 B13R1.536 CCC(=O)CSCCN1CCCC1 62a_100000747405_100000004467 [0,1,0,1,0,0|2,0,0]=4 28145 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 28146 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 28147 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 28148 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 28149 B13R1.536 CCC(=O)NCCCN1CCCC1 240690a_100000204695_100000210414 [0,1,0,1,0,0|2,0,0]=4 28150 B13R1.536 CCC(=O)NCCNC1CCCC1 270004a_100132302217_100000210133 [0,1,0,1,0,0|2,0,0]=4 28151 B13R1.536 CCC(=O)NCCNC1CCCC1 34a_100132302217_100000179811 [0,1,0,1,0,0|2,0,0]=4 28152 B13R1.536 CCC(=O)NCCOC1CCCC1 11a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 28153 B13R1.536 CCC(=O)NCCOC1CCCC1 1626a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 28154 B13R1.536 CCC(=O)NCCOC1CCCC1 240690a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 28155 B13R1.536 CCC(=O)NCCOC1CCCC1 34a_200000158885_100000179811 [0,1,0,1,0,0|2,0,0]=4 28156 B13R1.536 CCC(=O)NCCOC1CCCC1 527a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 28157 B13R1.536 CCC(=O)NCCOC1CCCC1 7a_200000158885_100000179811 [0,1,0,1,0,0|2,0,0]=4 28158 B13R1.536 CCC(=O)OCCOC1CCCC1 7a_200000031056_100000179811 [0,1,0,1,0,0|2,0,0]=4 28159 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 11a_106832991635_100009816572 [0,1,0,1,0,0|2,0,0]=4 28160 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 1626a_100102657272_100009816572 [0,1,0,1,0,0|2,0,0]=4 28161 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 240690a_100102657272_100009816572 [0,1,0,1,0,0|2,0,0]=4 28162 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 527a_100102657272_100009816572 [0,1,0,1,0,0|2,0,0]=4 28163 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000211070_100000741757 [0,1,0,1,0,0|1,0,0]=3 28164 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000740002_100000179811 [0,1,0,1,0,0|1,0,0]=3 28165 B13R1.536 CNC(=O)CCCNC1CCCC1 270004a_100000740002_100000210133 [0,1,0,1,0,0|1,0,0]=3 28166 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000211070_100000741757 [0,1,0,1,0,0|1,0,0]=3 28167 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000740002_100000179811 [0,1,0,1,0,0|1,0,0]=3 28168 B13R1.536 CNC(=O)CCCNC1CCOC1 2230a_100000740002_100000731011 [0,1,0,1,0,0|2,0,0]=4 28169 B13R1.536 CNC(=O)CCCNC1CCOC1 270004a_100000740002_100000752484 [0,1,0,1,0,0|2,0,0]=4 28170 B13R1.536 CNC(=O)CCCNC1CCOC1 34a_100000740002_100000690089 [0,1,0,1,0,0|2,0,0]=4 28171 B13R1.536 CNC(=O)CCCNC1CCSC1 270004a_100000740002_100000212027 [0,1,0,1,0,0|2,0,0]=4 28172 B13R1.536 CNC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100000741757 [0,1,0,1,0,0|2,0,0]=4 28173 B13R1.536 CNC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100000741757 [0,1,0,1,0,0|2,0,0]=4 28174 B13R1.536 CNC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000741757 [0,1,0,1,0,0|2,0,0]=4 28175 B13R1.536 CNC(=O)CCCOC1CCCC1 34a_100000210269_100000741757 [0,1,0,1,0,0|1,0,0]=3 28176 B13R1.536 CNC(=O)CCCOC1CCCC1 7a_100000210269_100000741757 [0,1,0,1,0,0|1,0,0]=3 28177 B13R1.536 CNC(=O)CCCOC1CCCO1 34a_100000085407_100000741757 [0,1,0,1,0,0|2,0,0]=4 28178 B13R1.536 CNC(=O)CCCOC1CCSC1 7a_100011232664_100000741757 [0,1,0,1,0,0|2,0,0]=4 28179 B13R1.536 CNC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000741757 [0,1,0,1,0,0|2,0,0]=4 28180 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100000741757_100000179811 [0,1,0,1,0,0|1,0,0]=3 28181 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100011217020_100000741757 [0,1,0,1,0,0|1,0,0]=3 28182 B13R1.536 CNC(=O)CCCSC1CCOC1 62a_100000741757_100000690089 [0,1,0,1,0,0|2,0,0]=4 28183 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737683 [0,1,0,1,0,0|1,0,0]=3 28184 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000738227_100000740388 [0,1,0,1,0,0|1,0,0]=3 28185 B13R1.536 CNC(=O)CCNCC1CCCC1 269862a_100000738227_100000746403 [0,1,0,1,0,0|1,0,0]=3 28186 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000737975_100012179268 [0,1,0,1,0,0|1,0,0]=3 28187 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000738227_100000740388 [0,1,0,1,0,0|1,0,0]=3 28188 B13R1.536 CNC(=O)CCNCC1CCCO1 2230a_100000738227_100000203698 [0,1,0,1,0,0|2,0,0]=4 28189 B13R1.536 CNC(=O)CCNCC1CCOC1 2230a_100000737293_100000737683 [0,1,0,1,0,0|2,0,0]=4 28190 B13R1.536 CNC(=O)CCNCC1CCOC1 2230a_100000738227_100000702531 [0,1,0,1,0,0|2,0,0]=4 28191 B13R1.536 CNC(=O)CCNCC1CCOC1 34a_100000737293_100012179268 [0,1,0,1,0,0|2,0,0]=4 28192 B13R1.536 CNC(=O)CCNCC1CCOC1 34a_100000738227_100011261433 [0,1,0,1,0,0|2,0,0]=4 28193 B13R1.536 CNC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000737683 [0,1,0,1,0,0|2,0,0]=4 28194 B13R1.536 CNC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100012179268 [0,1,0,1,0,0|2,0,0]=4 28195 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000742336_100012179268 [0,1,0,1,0,0|1,0,0]=3 28196 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000754576_100000740388 [0,1,0,1,0,0|1,0,0]=3 28197 B13R1.536 CNC(=O)CCOCC1CCCC1 7a_100000742336_100000737683 [0,1,0,1,0,0|1,0,0]=3 28198 B13R1.536 CNC(=O)CCOCC1CCCO1 34a_100000210270_100012179268 [0,1,0,1,0,0|2,0,0]=4 28199 B13R1.536 CNC(=O)CCOCC1CCCO1 7a_100000210270_100000737683 [0,1,0,1,0,0|2,0,0]=4 28200 B13R1.536 CNC(=O)CCOCC1CCNC1 34a_100000748654_100012179268 [0,1,0,1,0,0|2,0,0]=4 28201 B13R1.536 CNC(=O)CCOCC1CCOC1 34a_100000740260_100012179268 [0,1,0,1,0,0|2,0,0]=4 28202 B13R1.536 CNC(=O)CCOCC1CCOC1 34a_100000754576_100011261433 [0,1,0,1,0,0|2,0,0]=4 28203 B13R1.536 CNC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100012179268 [0,1,0,1,0,0|2,0,0]=4 28204 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000737683_100000740388 [0,1,0,1,0,0|1,0,0]=3 28205 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000740388_100000737683 [0,1,0,1,0,0|1,0,0]=3 28206 B13R1.536 CNC(=O)CCSCC1CCCO1 62a_100000203698_100000737683 [0,1,0,1,0,0|2,0,0]=4 28207 B13R1.536 CNC(=O)CCSCC1CCCO1 62a_100000737683_100000203698 [0,1,0,1,0,0|2,0,0]=4 28208 B13R1.536 CNC(=O)CCSCC1CCOC1 62a_100000702531_100000737683 [0,1,0,1,0,0|2,0,0]=4 28209 B13R1.536 CNC(=O)CCSCC1CCOC1 62a_100000737683_100000702531 [0,1,0,1,0,0|2,0,0]=4 28210 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000693194_100000760354 [0,1,0,1,0,0|1,0,0]=3 28211 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183359 [0,1,0,1,0,0|1,0,0]=3 28212 B13R1.536 CNC(=O)CNCCC1CCCC1 34a_100000739158_100000183359 [0,1,0,1,0,0|1,0,0]=3 28213 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000749090_100000183359 [0,1,0,1,0,0|1,0,0]=3 28214 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000750040_100000760354 [0,1,0,1,0,0|1,0,0]=3 28215 B13R1.536 CNC(=O)COCCC1CCCC1 7a_100000749090_100000183359 [0,1,0,1,0,0|1,0,0]=3 28216 B13R1.536 CNC(=O)COCCC1CCNC1 34a_100016987287_100000183359 [0,1,0,1,0,0|2,0,0]=4 28217 B13R1.536 CNC(=O)COCCC1CCOC1 34a_100011879284_100000183359 [0,1,0,1,0,0|2,0,0]=4 28218 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000183359_100000760354 [0,1,0,1,0,0|1,0,0]=3 28219 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000760354_100000183359 [0,1,0,1,0,0|1,0,0]=3 28220 B13R1.536 CNC(=O)CSCCN1CCCC1 11a_106832991635_200015187850 [0,1,0,1,0,0|2,0,0]=4 28221 B13R1.536 CNC(=O)CSCCN1CCCC1 240690a_100102657272_200015187850 [0,1,0,1,0,0|2,0,0]=4 28222 B13R1.536 CNC(=O)CSCCN1CCCC1 62a_100000183359_100000004467 [0,1,0,1,0,0|2,0,0]=4 28223 B13R1.536 CNC(=O)CSCCN1CCCC1 62a_100000700749_100000183359 [0,1,0,1,0,0|2,0,0]=4 28224 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100000736752_106832991635 [0,1,0,1,0,0|1,0,0]=3 28225 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100102657272_100000736752 [0,1,0,1,0,0|1,0,0]=3 28226 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100000736752_100102657272 [0,1,0,1,0,0|1,0,0]=3 28227 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100102657272_100000736752 [0,1,0,1,0,0|1,0,0]=3 28228 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_100000736752_100102657272 [0,1,0,1,0,0|1,0,0]=3 28229 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_106832991638_100000736752 [0,1,0,1,0,0|1,0,0]=3 28230 B13R1.536 CNC(=O)NCCCN1CCCC1 2708a_100000204695_106832991635 [0,1,0,1,0,0|2,0,0]=4 28231 B13R1.536 CNC(=O)NCCCN1CCCC1 2708a_100102657272_100000204695 [0,1,0,1,0,0|2,0,0]=4 28232 B13R1.536 CNC(=O)NCCCN1CCCC1 273464a_100000204695_100102657272 [0,1,0,1,0,0|2,0,0]=4 28233 B13R1.536 CNC(=O)NCCCN1CCCC1 273464a_100102657272_100000204695 [0,1,0,1,0,0|2,0,0]=4 28234 B13R1.536 CNC(=O)NCCNC1CCCC1 34a_100015205895_100000179811 [0,1,0,1,0,0|2,0,0]=4 28235 B13R1.536 CNC(=O)NCCOC1CCCC1 2708a_100000741755_106832991635 [0,1,0,1,0,0|2,0,0]=4 28236 B13R1.536 CNC(=O)NCCOC1CCCC1 2708a_100102657272_100000741755 [0,1,0,1,0,0|2,0,0]=4 28237 B13R1.536 CNC(=O)NCCOC1CCCC1 273464a_100000741755_100102657272 [0,1,0,1,0,0|2,0,0]=4 28238 B13R1.536 CNC(=O)NCCOC1CCCC1 273464a_100102657272_100000741755 [0,1,0,1,0,0|2,0,0]=4 28239 B13R1.536 CNC(=O)NCCOC1CCCC1 512a_100000741755_100102657272 [0,1,0,1,0,0|2,0,0]=4 28240 B13R1.536 CNC(=O)NCCOC1CCCC1 512a_106832991638_100000741755 [0,1,0,1,0,0|2,0,0]=4 28241 B13R1.536 CNC(=O)OCCNC1CCCC1 34a_100000211070_200011997002 [0,1,0,1,0,0|2,0,0]=4 28242 B13R1.536 CNC(=O)OCCOC1CCCC1 34a_100000210269_200011997002 [0,1,0,1,0,0|2,0,0]=4 28243 B13R1.536 CNC(=O)OCCOC1CCCC1 7a_100000210269_200011997002 [0,1,0,1,0,0|2,0,0]=4 28244 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_100011217020_200011997002 [0,1,0,1,0,0|2,0,0]=4 28245 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_200011997002_100000179811 [0,1,0,1,0,0|2,0,0]=4 28246 B13R1.536 COC(=O)CCCCN1CCCC1 2230a_100000188435_100000204269 [0,1,0,1,0,0|1,0,0]=3 28247 B13R1.536 COC(=O)CCCCN1CCCC1 269982a_100000188435_100000204269 [0,1,0,1,0,0|1,0,0]=3 28248 B13R1.536 COC(=O)CCCCN1CCSC1 2230a_100011215254_100000204269 [0,1,0,1,0,0|2,0,0]=4 28249 B13R1.536 COC(=O)CCCCN1CCSC1 269982a_100011215254_100000204269 [0,1,0,1,0,0|2,0,0]=4 28250 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [0,1,0,1,0,0|1,0,0]=3 28251 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [0,1,0,1,0,0|1,0,0]=3 28252 B13R1.536 COC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100011218270 [0,1,0,1,0,0|2,0,0]=4 28253 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100011218270 [0,1,0,1,0,0|2,0,0]=4 28254 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000742333 [0,1,0,1,0,0|2,0,0]=4 28255 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [0,1,0,1,0,0|1,0,0]=3 28256 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [0,1,0,1,0,0|1,0,0]=3 28257 B13R1.536 COC(=O)CCCOC1CCCO1 34a_100000085407_100000742333 [0,1,0,1,0,0|2,0,0]=4 28258 B13R1.536 COC(=O)CCCOC1CCSC1 7a_100011232664_100011218270 [0,1,0,1,0,0|2,0,0]=4 28259 B13R1.536 COC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000742333 [0,1,0,1,0,0|2,0,0]=4 28260 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [0,1,0,1,0,0|1,0,0]=3 28261 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [0,1,0,1,0,0|1,0,0]=3 28262 B13R1.536 COC(=O)CCCSC1CCOC1 62a_100011218270_100000690089 [0,1,0,1,0,0|2,0,0]=4 28263 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [0,1,0,1,0,0|1,0,0]=3 28264 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [0,1,0,1,0,0|1,0,0]=3 28265 B13R1.536 COC(=O)CCNCC1CCOC1 2230a_100000737293_100000204255 [0,1,0,1,0,0|2,0,0]=4 28266 B13R1.536 COC(=O)CCNCC1CCOC1 34a_100000737293_100000742370 [0,1,0,1,0,0|2,0,0]=4 28267 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000204255 [0,1,0,1,0,0|2,0,0]=4 28268 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000742370 [0,1,0,1,0,0|2,0,0]=4 28269 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [0,1,0,1,0,0|1,0,0]=3 28270 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [0,1,0,1,0,0|1,0,0]=3 28271 B13R1.536 COC(=O)CCOCC1CCCO1 34a_100000210270_100000742370 [0,1,0,1,0,0|2,0,0]=4 28272 B13R1.536 COC(=O)CCOCC1CCCO1 7a_100000210270_100000204255 [0,1,0,1,0,0|2,0,0]=4 28273 B13R1.536 COC(=O)CCOCC1CCNC1 34a_100000748654_100000742370 [0,1,0,1,0,0|2,0,0]=4 28274 B13R1.536 COC(=O)CCOCC1CCOC1 34a_100000740260_100000742370 [0,1,0,1,0,0|2,0,0]=4 28275 B13R1.536 COC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000742370 [0,1,0,1,0,0|2,0,0]=4 28276 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [0,1,0,1,0,0|1,0,0]=3 28277 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [0,1,0,1,0,0|1,0,0]=3 28278 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000203698_100000204255 [0,1,0,1,0,0|2,0,0]=4 28279 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000204255_100000203698 [0,1,0,1,0,0|2,0,0]=4 28280 B13R1.536 COC(=O)CCSCC1CCOC1 62a_100000204255_100000702531 [0,1,0,1,0,0|2,0,0]=4 28281 B13R1.536 COC(=O)CCSCC1CCOC1 62a_100000702531_100000204255 [0,1,0,1,0,0|2,0,0]=4 28282 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [0,1,0,1,0,0|1,0,0]=3 28283 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [0,1,0,1,0,0|1,0,0]=3 28284 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [0,1,0,1,0,0|1,0,0]=3 28285 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [0,1,0,1,0,0|1,0,0]=3 28286 B13R1.536 COC(=O)COCCC1CCNC1 34a_100016987287_100000747449 [0,1,0,1,0,0|2,0,0]=4 28287 B13R1.536 COC(=O)COCCC1CCOC1 34a_100011879284_100000747449 [0,1,0,1,0,0|2,0,0]=4 28288 B13R1.536 COC(=O)COCCN1CCCC1 2230a_100000188435_100000090808 [0,1,0,1,0,0|2,0,0]=4 28289 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [0,1,0,1,0,0|1,0,0]=3 28290 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [0,1,0,1,0,0|1,0,0]=3 28291 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000700749_100000747449 [0,1,0,1,0,0|2,0,0]=4 28292 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000747449_100000004467 [0,1,0,1,0,0|2,0,0]=4 28293 B13R1.536 COC(=O)NCCOC1CCCC1 34a_100000757965_100000179811 [0,1,0,1,0,0|2,0,0]=4 28294 B13R1.536 COC(=O)OCCOC1CCCC1 34a_100010262106_100000179811 [0,1,0,1,0,0|2,0,0]=4 28295 B13R1.536 COC(=O)OCSCC1CCCC1 62a_100000740388_100000139417 [0,1,0,1,0,0|2,0,0]=4 28296 B13R1.536 NNC(=O)CCCOC1CCCC1 34a_100000211488_100000179811 [0,1,0,1,0,0|2,0,0]=4 28297 B13R1.536 O=C(CF)CCCC[C@@H]1CCSS1 1458a_100009816572_100015361967 [0,1,0,1,0,0|2,0,0]=4 28298 B13R1.536 O=C(CF)CSCCN1CCCC1 1458a_200015187850_100015361967 [0,1,0,1,0,0|2,0,0]=4 28299 B13R1.536 O=C(CO)CCCCC1OCCO1 1458a_100000210174_100000034956 [0,1,0,1,0,0|2,0,0]=4 28300 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [0,1,0,1,0,0|1,0,0]=3 28301 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [0,1,0,1,0,0|1,0,0]=3 28302 B13R1.536 O=C(CO)NCCCN1CCCC1 240690a_100000204695_100000210174 [0,1,0,1,0,0|2,0,0]=4 28303 B13R1.536 O=C(CO)NCCOC1CCCC1 240690a_100000741755_100000210174 [0,1,0,1,0,0|2,0,0]=4 28304 B13R1.536 O=C(CO)NCCOC1CCCC1 527a_100000741755_100000210174 [0,1,0,1,0,0|2,0,0]=4 28305 B13R1.539 CCC(=O)NCCNCC1CCC1 269862a_100132302217_100000753134 [0,1,0,1,0,0|2,0,0]=4 28306 B13R1.539 CCC(=O)NCCNCC1CCC1 34a_100132302217_100000763275 [0,1,0,1,0,0|2,0,0]=4 28307 B13R1.539 CCC(=O)NCCOCC1CCC1 34a_200000158885_100000763275 [0,1,0,1,0,0|2,0,0]=4 28308 B13R1.539 CCC(=O)NCCOCC1CCC1 7a_200000158885_100000763275 [0,1,0,1,0,0|2,0,0]=4 28309 B13R1.539 CCC(=O)OCCOCC1CCC1 7a_200000031056_100000763275 [0,1,0,1,0,0|2,0,0]=4 28310 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000738700_100000741757 [0,1,0,1,0,0|1,0,0]=3 28311 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000740002_100000763275 [0,1,0,1,0,0|1,0,0]=3 28312 B13R1.539 CNC(=O)CCCNCC1CCC1 269862a_100000740002_100000753134 [0,1,0,1,0,0|1,0,0]=3 28313 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000738700_100000741757 [0,1,0,1,0,0|1,0,0]=3 28314 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000740002_100000763275 [0,1,0,1,0,0|1,0,0]=3 28315 B13R1.539 CNC(=O)CCCNCC1CCO1 2230a_100000740002_100000103362 [0,1,0,1,0,0|2,0,0]=4 28316 B13R1.539 CNC(=O)CCCNCC1CCO1 34a_100000740002_100000103362 [0,1,0,1,0,0|2,0,0]=4 28317 B13R1.539 CNC(=O)CCCNCC1COC1 2230a_100000740002_100010264016 [0,1,0,1,0,0|2,0,0]=4 28318 B13R1.539 CNC(=O)CCCNCC1COC1 2230a_100015281925_100000741757 [0,1,0,1,0,0|2,0,0]=4 28319 B13R1.539 CNC(=O)CCCNCC1COC1 34a_100000740002_100010264016 [0,1,0,1,0,0|2,0,0]=4 28320 B13R1.539 CNC(=O)CCCNCC1COC1 34a_100015281925_100000741757 [0,1,0,1,0,0|2,0,0]=4 28321 B13R1.539 CNC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100000741757 [0,1,0,1,0,0|2,0,0]=4 28322 B13R1.539 CNC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000741757 [0,1,0,1,0,0|2,0,0]=4 28323 B13R1.539 CNC(=O)CCCOCC1CCC1 34a_100000760304_100000741757 [0,1,0,1,0,0|1,0,0]=3 28324 B13R1.539 CNC(=O)CCCOCC1CCO1 34a_100000039022_100000741757 [0,1,0,1,0,0|2,0,0]=4 28325 B13R1.539 CNC(=O)CCCOCC1CNC1 34a_100016987283_100000741757 [0,1,0,1,0,0|2,0,0]=4 28326 B13R1.539 CNC(=O)CCCOCC1COC1 34a_100000060846_100000741757 [0,1,0,1,0,0|2,0,0]=4 28327 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000741757_100000763275 [0,1,0,1,0,0|1,0,0]=3 28328 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000763275_100000741757 [0,1,0,1,0,0|1,0,0]=3 28329 B13R1.539 CNC(=O)CCCSCC1CCO1 62a_100000103362_100000741757 [0,1,0,1,0,0|2,0,0]=4 28330 B13R1.539 CNC(=O)CCCSCC1CCO1 62a_100000741757_100000103362 [0,1,0,1,0,0|2,0,0]=4 28331 B13R1.539 CNC(=O)CCCSCC1COC1 62a_100000741757_100010264016 [0,1,0,1,0,0|2,0,0]=4 28332 B13R1.539 CNC(=O)CCCSCC1COC1 62a_100010264016_100000741757 [0,1,0,1,0,0|2,0,0]=4 28333 B13R1.539 CNC(=O)CCOCCC1COC1 34a_100009855314_100012179268 [0,1,0,1,0,0|2,0,0]=4 28334 B13R1.539 CNC(=O)NCCNCC1CCC1 269862a_100015205895_100000753134 [0,1,0,1,0,0|2,0,0]=4 28335 B13R1.539 CNC(=O)NCCNCC1CCC1 34a_100015205895_100000763275 [0,1,0,1,0,0|2,0,0]=4 28336 B13R1.539 CNC(=O)OCCNCC1CCC1 34a_100000738700_200011997002 [0,1,0,1,0,0|2,0,0]=4 28337 B13R1.539 CNC(=O)OCCOCC1CCC1 34a_100000760304_200011997002 [0,1,0,1,0,0|2,0,0]=4 28338 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_100000763275_200011997002 [0,1,0,1,0,0|2,0,0]=4 28339 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_200011997002_100000763275 [0,1,0,1,0,0|2,0,0]=4 28340 B13R1.539 COC(=O)CCCCCN1CCC1 269982a_100000754969_100009816466 [0,1,0,1,0,0|1,0,0]=3 28341 B13R1.539 COC(=O)CCCCNC1CCC1 2230a_100000749019_100000204269 [0,1,0,1,0,0|1,0,0]=3 28342 B13R1.539 COC(=O)CCCCNC1CCC1 34a_100000749019_100000204269 [0,1,0,1,0,0|1,0,0]=3 28343 B13R1.539 COC(=O)CCCCNC1COC1 2230a_100016991112_100000204269 [0,1,0,1,0,0|2,0,0]=4 28344 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000059025_100000749161 [0,1,0,1,0,0|1,0,0]=3 28345 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000748187_100000204269 [0,1,0,1,0,0|1,0,0]=3 28346 B13R1.539 COC(=O)CCCCOC1COC1 34a_100000059025_100009818527 [0,1,0,1,0,0|2,0,0]=4 28347 B13R1.539 COC(=O)CCCCOC1COC1 7a_100000059025_100009818527 [0,1,0,1,0,0|2,0,0]=4 28348 B13R1.539 COC(=O)CCCCOC1CSC1 7a_100000072292_100000204269 [0,1,0,1,0,0|2,0,0]=4 28349 B13R1.539 COC(=O)CCCCSC1CCC1 62a_100000204269_100000749161 [0,1,0,1,0,0|1,0,0]=3 28350 B13R1.539 COC(=O)CCCCSC1COC1 62a_100000204269_100009818527 [0,1,0,1,0,0|2,0,0]=4 28351 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [0,1,0,1,0,0|1,0,0]=3 28352 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [0,1,0,1,0,0|1,0,0]=3 28353 B13R1.539 COC(=O)CCCNCC1COC1 2230a_100015281925_100011218270 [0,1,0,1,0,0|2,0,0]=4 28354 B13R1.539 COC(=O)CCCNCC1COC1 34a_100015281925_100000742333 [0,1,0,1,0,0|2,0,0]=4 28355 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100011218270 [0,1,0,1,0,0|2,0,0]=4 28356 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000742333 [0,1,0,1,0,0|2,0,0]=4 28357 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [0,1,0,1,0,0|1,0,0]=3 28358 B13R1.539 COC(=O)CCCOCC1CCO1 34a_100000039022_100000742333 [0,1,0,1,0,0|2,0,0]=4 28359 B13R1.539 COC(=O)CCCOCC1CNC1 34a_100016987283_100000742333 [0,1,0,1,0,0|2,0,0]=4 28360 B13R1.539 COC(=O)CCCOCC1COC1 34a_100000060846_100000742333 [0,1,0,1,0,0|2,0,0]=4 28361 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [0,1,0,1,0,0|1,0,0]=3 28362 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [0,1,0,1,0,0|1,0,0]=3 28363 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100000103362_100011218270 [0,1,0,1,0,0|2,0,0]=4 28364 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100011218270_100000103362 [0,1,0,1,0,0|2,0,0]=4 28365 B13R1.539 COC(=O)CCCSCC1COC1 62a_100010264016_100011218270 [0,1,0,1,0,0|2,0,0]=4 28366 B13R1.539 COC(=O)CCCSCC1COC1 62a_100011218270_100010264016 [0,1,0,1,0,0|2,0,0]=4 28367 B13R1.539 COC(=O)CCOCCC1COC1 34a_100009855314_100000742370 [0,1,0,1,0,0|2,0,0]=4 28368 B13R1.539 COC(=O)COCCNC1CCC1 2230a_100000749019_100000090808 [0,1,0,1,0,0|2,0,0]=4 28369 B13R1.539 COC(=O)COCCNC1CCC1 34a_100000749019_100000090808 [0,1,0,1,0,0|2,0,0]=4 28370 B13R1.539 COC(=O)COCCOC1CCC1 34a_100000748187_100000090808 [0,1,0,1,0,0|2,0,0]=4 28371 B13R1.539 COC(=O)COCCSC1CCC1 62a_100000090808_100000749161 [0,1,0,1,0,0|2,0,0]=4 28372 B13R1.539 COC(=O)NCCOCC1CCC1 34a_100000757965_100000763275 [0,1,0,1,0,0|2,0,0]=4 28373 B13R1.539 COC(=O)OCCOCC1CCC1 34a_100010262106_100000763275 [0,1,0,1,0,0|2,0,0]=4 28374 B13R1.539 NNC(=O)CCCOCC1CCC1 34a_100000211488_100000763275 [0,1,0,1,0,0|2,0,0]=4 28375 B13R1.560 CCCCCCCCCN1CCC1 269982a_100000754969_100000210670 [0,1,0,1,0,0|2,0,0]=4 28376 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210211 [0,1,0,1,0,0|1,0,0]=3 28377 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210211 [0,1,0,1,0,0|1,0,0]=3 28378 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210210 [0,1,0,1,0,0|1,0,0]=3 28379 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210211 [0,1,0,1,0,0|1,0,0]=3 28380 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210211 [0,1,0,1,0,0|1,0,0]=3 28381 B13R1.581 CCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210211 [0,1,0,1,0,0|2,0,0]=4 28382 B13R1.581 CCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210211 [0,1,0,1,0,0|2,0,0]=4 28383 B13R1.581 CCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210211 [0,1,0,1,0,0|2,0,0]=4 28384 B13R1.581 CCCOC1CCCC1C(=O)OC 34a_200000081814_100000210303 [0,1,0,1,0,0|1,0,0]=3 28385 B13R1.581 CCCOC1CCCC1C(=O)OC 7a_200000081814_100000210303 [0,1,0,1,0,0|1,0,0]=3 28386 B13R1.581 CCOCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000739092 [0,1,0,1,0,0|2,0,0]=4 28387 B13R1.581 CCOCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000739092 [0,1,0,1,0,0|2,0,0]=4 28388 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCF 2230a_100015185040_100011934791 [0,1,0,1,0,0|2,0,0]=4 28389 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCF 269982a_100015185040_100011934791 [0,1,0,1,0,0|2,0,0]=4 28390 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCF 34a_100015185040_100011934791 [0,1,0,1,0,0|2,0,0]=4 28391 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCO 2230a_100015185040_100000230001 [0,1,0,1,0,0|2,0,0]=4 28392 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCO 269982a_100015185040_100011215043 [0,1,0,1,0,0|2,0,0]=4 28393 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCO 34a_100015185040_100000230001 [0,1,0,1,0,0|2,0,0]=4 28394 B13R1.581 CNC(=O)[C@@H]1CCCN1CCOC 2230a_100015185040_100011201679 [0,1,0,1,0,0|2,0,0]=4 28395 B13R1.581 CNC(=O)[C@@H]1CCCN1CCOC 269982a_100015185040_100000233755 [0,1,0,1,0,0|2,0,0]=4 28396 B13R1.581 CNC(=O)[C@@H]1CCCN1CCOC 34a_100015185040_100011201679 [0,1,0,1,0,0|2,0,0]=4 28397 B13R1.581 CNC(=O)[C@@H]1CCCN1CCSC 2230a_100015185040_100000751147 [0,1,0,1,0,0|2,0,0]=4 28398 B13R1.581 CNC(=O)[C@@H]1CCCN1CCSC 269982a_100015185040_100000212216 [0,1,0,1,0,0|2,0,0]=4 28399 B13R1.581 CNC(=O)[C@@H]1CCCN1CCSC 34a_100015185040_100000212216 [0,1,0,1,0,0|2,0,0]=4 28400 B13R1.581 COC(=O)C1CCCC1OCCF 34a_200000081814_100011217306 [0,1,0,1,0,0|2,0,0]=4 28401 B13R1.581 COC(=O)C1CCCC1OCCF 7a_200000081814_100011217306 [0,1,0,1,0,0|2,0,0]=4 28402 B13R1.581 COC(=O)C1CCCC1OCCO 34a_200000081814_100000211926 [0,1,0,1,0,0|2,0,0]=4 28403 B13R1.581 COC(=O)C1CCCC1OCCO 7a_200000081814_100000211926 [0,1,0,1,0,0|2,0,0]=4 28404 B13R1.581 COC(=O)C1CCCC1OCSC 34a_200000081814_100011218213 [0,1,0,1,0,0|2,0,0]=4 28405 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 2230a_100000752040_100011934791 [0,1,0,1,0,0|2,0,0]=4 28406 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 269982a_100000752040_100011934791 [0,1,0,1,0,0|2,0,0]=4 28407 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 2230a_100000752040_100000230001 [0,1,0,1,0,0|2,0,0]=4 28408 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 269982a_100000752040_100011215043 [0,1,0,1,0,0|2,0,0]=4 28409 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC 2230a_100000752040_100000751147 [0,1,0,1,0,0|2,0,0]=4 28410 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC 269982a_100000752040_100000212216 [0,1,0,1,0,0|2,0,0]=4 28411 B13R1.581 COCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011201679 [0,1,0,1,0,0|2,0,0]=4 28412 B13R1.581 COCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000233755 [0,1,0,1,0,0|2,0,0]=4 28413 B13R1.595 COC(=O)CCCCN1CCC1C 269982a_100000755817_100000204269 [0,1,0,1,0,0|1,0,0]=3 28414 B13R1.595 COC(=O)CCCCN1CCC1C 34a_100000755817_100000204269 [0,1,0,1,0,0|1,0,0]=3 28415 B13R1.595 COC(=O)COCCN1CCC1C 34a_100000755817_100000090808 [0,1,0,1,0,0|2,0,0]=4 28416 B13R1.599 CCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210414 [0,1,0,1,0,0|2,0,0]=4 28417 B13R1.599 CCC(=O)NCCC1CCCN1C 527a_100011219722_100000210414 [0,1,0,1,0,0|2,0,0]=4 28418 B13R1.599 CN1CCCC1CCNC(=O)CO 240690a_100011219722_100000210174 [0,1,0,1,0,0|2,0,0]=4 28419 B13R1.599 CN1CCCC1CCNC(=O)CO 527a_100011219722_100000210174 [0,1,0,1,0,0|2,0,0]=4 28420 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100000741757 [0,1,0,1,0,0|1,0,0]=3 28421 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100000741757 [0,1,0,1,0,0|1,0,0]=3 28422 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100000741757 [0,1,0,1,0,0|1,0,0]=3 28423 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100000741757 [0,1,0,1,0,0|1,0,0]=3 28424 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000741757 [0,1,0,1,0,0|1,0,0]=3 28425 B13R1.599 CNC(=O)CCCN1CCSC1C 2230a_200011216479_100000741757 [0,1,0,1,0,0|2,0,0]=4 28426 B13R1.599 CNC(=O)CCCN1CCSC1C 269982a_200011216479_100000741757 [0,1,0,1,0,0|2,0,0]=4 28427 B13R1.599 CNC(=O)CCCN1CCSC1C 34a_200011216479_100000741757 [0,1,0,1,0,0|2,0,0]=4 28428 B13R1.599 CNC(=O)CCNC1CCCC1C 269862a_100000738227_100000752053 [0,1,0,1,0,0|1,0,0]=3 28429 B13R1.599 CNC(=O)CCNC1CCOC1C 270004a_100000738227_100000691750 [0,1,0,1,0,0|2,0,0]=4 28430 B13R1.599 CNC(=O)CCOC1CCCC1C 34a_100011216460_100012179268 [0,1,0,1,0,0|1,0,0]=3 28431 B13R1.599 CNC(=O)CCOC1CCCC1C 7a_100011216460_100000737683 [0,1,0,1,0,0|1,0,0]=3 28432 B13R1.599 CNC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012179268 [0,1,0,1,0,0|2,0,0]=4 28433 B13R1.599 CNC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100012179268 [0,1,0,1,0,0|2,0,0]=4 28434 B13R1.599 CNC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100012179268 [0,1,0,1,0,0|2,0,0]=4 28435 B13R1.599 CNC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000737683_200016002552 [0,1,0,1,0,0|2,0,0]=4 28436 B13R1.599 CNC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000737683 [0,1,0,1,0,0|2,0,0]=4 28437 B13R1.599 CNC(=O)COCC1CCCN1C 34a_100000743107_100000183359 [0,1,0,1,0,0|2,0,0]=4 28438 B13R1.599 CNC(=O)NCCC1CCCN1C 2708a_100011219722_106832991635 [0,1,0,1,0,0|2,0,0]=4 28439 B13R1.599 CNC(=O)NCCC1CCCN1C 2708a_100102657272_100011219722 [0,1,0,1,0,0|2,0,0]=4 28440 B13R1.599 CNC(=O)NCCC1CCCN1C 273464a_100011219722_100102657272 [0,1,0,1,0,0|2,0,0]=4 28441 B13R1.599 CNC(=O)NCCC1CCCN1C 273464a_100102657272_100011219722 [0,1,0,1,0,0|2,0,0]=4 28442 B13R1.599 CNC(=O)NCCC1CCCN1C 512a_100011219722_100102657272 [0,1,0,1,0,0|2,0,0]=4 28443 B13R1.599 CNC(=O)NCCC1CCCN1C 512a_106832991638_100011219722 [0,1,0,1,0,0|2,0,0]=4 28444 B13R1.599 CNC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_200011997002 [0,1,0,1,0,0|2,0,0]=4 28445 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_200011997002 [0,1,0,1,0,0|2,0,0]=4 28446 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 34a_100015189458_200011997002 [0,1,0,1,0,0|2,0,0]=4 28447 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [0,1,0,1,0,0|1,0,0]=3 28448 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [0,1,0,1,0,0|1,0,0]=3 28449 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [0,1,0,1,0,0|1,0,0]=3 28450 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [0,1,0,1,0,0|1,0,0]=3 28451 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [0,1,0,1,0,0|1,0,0]=3 28452 B13R1.599 COC(=O)CCCN1CCSC1C 2230a_200011216479_100011218270 [0,1,0,1,0,0|2,0,0]=4 28453 B13R1.599 COC(=O)CCCN1CCSC1C 269982a_200011216479_100011218270 [0,1,0,1,0,0|2,0,0]=4 28454 B13R1.599 COC(=O)CCCN1CCSC1C 34a_200011216479_100000742333 [0,1,0,1,0,0|2,0,0]=4 28455 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [0,1,0,1,0,0|1,0,0]=3 28456 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [0,1,0,1,0,0|1,0,0]=3 28457 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000742370 [0,1,0,1,0,0|2,0,0]=4 28458 B13R1.599 COC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000742370 [0,1,0,1,0,0|2,0,0]=4 28459 B13R1.599 COC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000742370 [0,1,0,1,0,0|2,0,0]=4 28460 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000204255_200016002552 [0,1,0,1,0,0|2,0,0]=4 28461 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000204255 [0,1,0,1,0,0|2,0,0]=4 28462 B13R1.599 COC(=O)COCC1CCCN1C 34a_100000743107_100000747449 [0,1,0,1,0,0|2,0,0]=4 28463 B13R1.613 CCC(=O)NCC1CCCN1CC 11a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 28464 B13R1.613 CCC(=O)NCC1CCCN1CC 1626a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 28465 B13R1.613 CCC(=O)NCC1CCCN1CC 240690a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 28466 B13R1.613 CCC(=O)NCC1CCCN1CC 527a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 28467 B13R1.613 CCC1CCCC1NCC(=O)NC 269862a_100000693194_100000749056 [0,1,0,1,0,0|1,0,0]=3 28468 B13R1.613 CCC1CCCC1NCC(=O)NC 270004a_100000693194_100000749056 [0,1,0,1,0,0|1,0,0]=3 28469 B13R1.613 CCC1CCCN1CCC(=O)NC 2230a_100000754278_100000737683 [0,1,0,1,0,0|1,0,0]=3 28470 B13R1.613 CCC1CCCN1CCC(=O)NC 269982a_100000754278_100000737683 [0,1,0,1,0,0|1,0,0]=3 28471 B13R1.613 CCC1CCCN1CCC(=O)NC 34a_100000754278_100012179268 [0,1,0,1,0,0|1,0,0]=3 28472 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [0,1,0,1,0,0|1,0,0]=3 28473 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [0,1,0,1,0,0|1,0,0]=3 28474 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [0,1,0,1,0,0|1,0,0]=3 28475 B13R1.613 CCN1CCCC1CNC(=O)CO 240690a_100000211693_100000210174 [0,1,0,1,0,0|2,0,0]=4 28476 B13R1.613 CCN1CCCC1CNC(=O)CO 527a_100000211693_100000210174 [0,1,0,1,0,0|2,0,0]=4 28477 B13R1.613 CCN1CCCC1CNC(=O)NC 2708a_100102657272_100000211693 [0,1,0,1,0,0|2,0,0]=4 28478 B13R1.613 CCN1CCCC1CNC(=O)NC 273464a_100000211693_100102657272 [0,1,0,1,0,0|2,0,0]=4 28479 B13R1.613 CCN1CCCC1CNC(=O)NC 273464a_100102657272_100000211693 [0,1,0,1,0,0|2,0,0]=4 28480 B13R1.613 CCN1CCCC1CNC(=O)NC 512a_100000211693_100102657272 [0,1,0,1,0,0|2,0,0]=4 28481 B13R1.613 CCN1CCCC1CNC(=O)NC 512a_106832991638_100000211693 [0,1,0,1,0,0|2,0,0]=4 28482 B13R1.613 CNC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000737683 [0,1,0,1,0,0|2,0,0]=4 28483 B13R1.613 CNC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000737683 [0,1,0,1,0,0|2,0,0]=4 28484 B13R1.613 CNC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100012179268 [0,1,0,1,0,0|2,0,0]=4 28485 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000204255 [0,1,0,1,0,0|2,0,0]=4 28486 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000204255 [0,1,0,1,0,0|2,0,0]=4 28487 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000742370 [0,1,0,1,0,0|2,0,0]=4 28488 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,1,0,0|1,0,0]=3 28489 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,1,0,0|1,0,0]=3 28490 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,1,0,0|1,0,0]=3 28491 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,1,0,0|1,0,0]=3 28492 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,1,0,0|1,0,0]=3 28493 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,1,0,0|1,0,0]=3 28494 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,1,0,0|1,0,0]=3 28495 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,1,0,0|1,0,0]=3 28496 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [0,1,0,1,0,0|2,0,0]=4 28497 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [0,1,0,1,0,0|2,0,0]=4 28498 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [0,1,0,1,0,0|2,0,0]=4 28499 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [0,1,0,1,0,0|2,0,0]=4 28500 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [0,1,0,1,0,0|2,0,0]=4 28501 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [0,1,0,1,0,0|2,0,0]=4 28502 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [0,1,0,1,0,0|2,0,0]=4 28503 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [0,1,0,1,0,0|2,0,0]=4 28504 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [0,1,0,1,0,0|2,0,0]=4 28505 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [0,1,0,1,0,0|2,0,0]=4 28506 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [0,1,0,1,0,0|2,0,0]=4 28507 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [0,1,0,1,0,0|2,0,0]=4 28508 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [0,1,0,1,0,0|2,0,0]=4 28509 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [0,1,0,1,0,0|2,0,0]=4 28510 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [0,1,0,1,0,0|2,0,0]=4 28511 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [0,1,0,1,0,0|2,0,0]=4 28512 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [0,1,0,1,0,0|2,0,0]=4 28513 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [0,1,0,1,0,0|2,0,0]=4 28514 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [0,1,0,1,0,0|2,0,0]=4 28515 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [0,1,0,1,0,0|2,0,0]=4 28516 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [0,1,0,1,0,0|2,0,0]=4 28517 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [0,1,0,1,0,0|2,0,0]=4 28518 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,1,0,1,0,0|2,0,0]=4 28519 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [0,1,0,1,0,0|2,0,0]=4 28520 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [0,1,0,1,0,0|2,0,0]=4 28521 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [0,1,0,1,0,0|2,0,0]=4 28522 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [0,1,0,1,0,0|2,0,0]=4 28523 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,1,0,1,0,0|2,0,0]=4 28524 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,1,0,1,0,0|2,0,0]=4 28525 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,1,0,1,0,0|2,0,0]=4 28526 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [0,1,0,1,0,0|2,0,0]=4 28527 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [0,1,0,1,0,0|2,0,0]=4 28528 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [0,1,0,1,0,0|2,0,0]=4 28529 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [0,1,0,1,0,0|2,0,0]=4 28530 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [0,1,0,1,0,0|2,0,0]=4 28531 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [0,1,0,1,0,0|2,0,0]=4 28532 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [0,1,0,1,0,0|2,0,0]=4 28533 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [0,1,0,1,0,0|2,0,0]=4 28534 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,1,0,1,0,0|2,0,0]=4 28535 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,1,0,1,0,0|2,0,0]=4 28536 B13R1.718 C#CC(=O)CCCC1CCCCC1 1458a_100000211873_100011713725 [0,1,0,1,0,0|0,0,1]=3 28537 B13R1.718 C#CC(=O)CCCN1CCCCC1 1458a_100000211873_100000690320 [0,1,0,1,0,0|1,0,1]=4 28538 B13R1.718 C#CC(=O)CCOC1CCCCC1 1458a_100000211873_100011211530 [0,1,0,1,0,0|1,0,1]=4 28539 B13R1.718 C=CC(=O)CCCC1CCCCC1 1458a_100000185746_100011713725 [0,1,0,1,0,0|0,0,1]=3 28540 B13R1.718 C=CC(=O)CCCN1CCCCC1 1458a_100000185746_100000690320 [0,1,0,1,0,0|1,0,1]=4 28541 B13R1.718 C=CC(=O)CCOC1CCCCC1 1458a_100000185746_100011211530 [0,1,0,1,0,0|1,0,1]=4 28542 B13R1.718 C=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000185746 [0,1,0,1,0,0|1,0,1]=4 28543 B13R1.718 C=CC(=O)NCCC1CCCCC1 240690a_100000738074_200121576911 [0,1,0,1,0,0|1,0,1]=4 28544 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,1,0,1,0,0|0,0,0]=2 28545 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,1,0,1,0,0|0,0,0]=2 28546 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [0,1,0,1,0,0|1,0,0]=3 28547 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [0,1,0,1,0,0|1,0,0]=3 28548 B13R1.718 CCC(=O)CCCN1CCOCC1 1458a_100000210414_100000748698 [0,1,0,1,0,0|2,0,0]=4 28549 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [0,1,0,1,0,0|1,0,0]=3 28550 B13R1.718 CCC(=O)CCOC1CCCCO1 1458a_100000210414_100000744793 [0,1,0,1,0,0|2,0,0]=4 28551 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [0,1,0,1,0,0|1,0,0]=3 28552 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [0,1,0,1,0,0|1,0,0]=3 28553 B13R1.718 CCC(=O)COCC1CCCCO1 1458a_100011223378_100000210202 [0,1,0,1,0,0|2,0,0]=4 28554 B13R1.718 CCC(=O)COCC1CCCCO1 34a_100000725409_100000211543 [0,1,0,1,0,0|2,0,0]=4 28555 B13R1.718 CCC(=O)COCC1CCCCO1 7a_100000211370_100000747405 [0,1,0,1,0,0|2,0,0]=4 28556 B13R1.718 CCC(=O)COCC1CCCOC1 34a_100000725409_100000741521 [0,1,0,1,0,0|2,0,0]=4 28557 B13R1.718 CCC(=O)COCC1CCOCC1 34a_100000725409_100000754603 [0,1,0,1,0,0|2,0,0]=4 28558 B13R1.718 CCC(=O)COCC1CCSCC1 7a_100000070558_100000747405 [0,1,0,1,0,0|2,0,0]=4 28559 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [0,1,0,1,0,0|1,0,0]=3 28560 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [0,1,0,1,0,0|1,0,0]=3 28561 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000211543_100000747405 [0,1,0,1,0,0|2,0,0]=4 28562 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000747405_100000211543 [0,1,0,1,0,0|2,0,0]=4 28563 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000741521_100000747405 [0,1,0,1,0,0|2,0,0]=4 28564 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000747405_100000741521 [0,1,0,1,0,0|2,0,0]=4 28565 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000747405_100000749018 [0,1,0,1,0,0|2,0,0]=4 28566 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000754603_100000747405 [0,1,0,1,0,0|2,0,0]=4 28567 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 28568 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 28569 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 28570 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 28571 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 28572 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 28573 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 28574 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 28575 B13R1.718 CCC(=O)NCCC1CCOCC1 11a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 28576 B13R1.718 CCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 28577 B13R1.718 CCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 28578 B13R1.718 CCC(=O)NCCC1CCOCC1 527a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 28579 B13R1.718 CCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210414 [0,1,0,1,0,0|2,0,0]=4 28580 B13R1.718 CCC(=O)NCCN1CCCCC1 527a_100000216509_100000210414 [0,1,0,1,0,0|2,0,0]=4 28581 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [0,1,0,1,0,0|2,0,0]=4 28582 B13R1.718 CCN(C)CCCC1CCCCC1 2230a_100000225621_100011713725 [0,1,0,1,0,0|2,0,0]=4 28583 B13R1.718 CCN(C)CCCC1CCCCC1 269982a_100000225621_100011713725 [0,1,0,1,0,0|2,0,0]=4 28584 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [0,1,0,1,0,0|0,0,0]=2 28585 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [0,1,0,1,0,0|0,0,0]=2 28586 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [0,1,0,1,0,0|0,0,0]=2 28587 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [0,1,0,1,0,0|0,0,0]=2 28588 B13R1.718 CNC(=O)CCCN1CCCCC1 240690a_100102657272_100000742516 [0,1,0,1,0,0|1,0,0]=3 28589 B13R1.718 CNC(=O)CCCN1CCCOC1 2230a_100000131196_100000741757 [0,1,0,1,0,0|2,0,0]=4 28590 B13R1.718 CNC(=O)CCCN1CCCOC1 269982a_100000131196_100000741757 [0,1,0,1,0,0|2,0,0]=4 28591 B13R1.718 CNC(=O)CCCN1CCCOC1 34a_100000131196_100000741757 [0,1,0,1,0,0|2,0,0]=4 28592 B13R1.718 CNC(=O)CCCN1CCOCC1 2230a_100015191051_100000741757 [0,1,0,1,0,0|2,0,0]=4 28593 B13R1.718 CNC(=O)CCCN1CCOCC1 269982a_100015191051_100000741757 [0,1,0,1,0,0|2,0,0]=4 28594 B13R1.718 CNC(=O)CCCN1CCOCC1 34a_100015191051_100000741757 [0,1,0,1,0,0|2,0,0]=4 28595 B13R1.718 CNC(=O)CCCN1CCSCC1 2230a_100000737611_100000741757 [0,1,0,1,0,0|2,0,0]=4 28596 B13R1.718 CNC(=O)CCCN1CCSCC1 269982a_100000737611_100000741757 [0,1,0,1,0,0|2,0,0]=4 28597 B13R1.718 CNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737683 [0,1,0,1,0,0|1,0,0]=3 28598 B13R1.718 CNC(=O)CCNC1CCCCC1 270004a_100000738227_100000210434 [0,1,0,1,0,0|1,0,0]=3 28599 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000182618_100012179268 [0,1,0,1,0,0|1,0,0]=3 28600 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000738227_100000210327 [0,1,0,1,0,0|1,0,0]=3 28601 B13R1.718 CNC(=O)CCNC1CCCOC1 2230a_100000719290_100000737683 [0,1,0,1,0,0|2,0,0]=4 28602 B13R1.718 CNC(=O)CCNC1CCCOC1 270004a_100000738227_100000753404 [0,1,0,1,0,0|2,0,0]=4 28603 B13R1.718 CNC(=O)CCNC1CCCOC1 34a_100000719290_100012179268 [0,1,0,1,0,0|2,0,0]=4 28604 B13R1.718 CNC(=O)CCNC1CCCOC1 34a_100000738227_100000693364 [0,1,0,1,0,0|2,0,0]=4 28605 B13R1.718 CNC(=O)CCNC1CCCSC1 270004a_100000738227_100000057913 [0,1,0,1,0,0|2,0,0]=4 28606 B13R1.718 CNC(=O)CCNC1CCNCC1 270004a_100000738227_100015192401 [0,1,0,1,0,0|2,0,0]=4 28607 B13R1.718 CNC(=O)CCNC1CCOCC1 2230a_100000741149_100000737683 [0,1,0,1,0,0|2,0,0]=4 28608 B13R1.718 CNC(=O)CCNC1CCOCC1 270004a_100000738227_100011217826 [0,1,0,1,0,0|2,0,0]=4 28609 B13R1.718 CNC(=O)CCNC1CCOCC1 34a_100000741149_100012179268 [0,1,0,1,0,0|2,0,0]=4 28610 B13R1.718 CNC(=O)CCNC1CCSCC1 2230a_100000748639_100000737683 [0,1,0,1,0,0|2,0,0]=4 28611 B13R1.718 CNC(=O)CCNC1CCSCC1 270004a_100000738227_100000203788 [0,1,0,1,0,0|2,0,0]=4 28612 B13R1.718 CNC(=O)CCNC1CCSCC1 34a_100000738227_100000069128 [0,1,0,1,0,0|2,0,0]=4 28613 B13R1.718 CNC(=O)CCNC1CCSCC1 34a_100000748639_100012179268 [0,1,0,1,0,0|2,0,0]=4 28614 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000210231_100012179268 [0,1,0,1,0,0|1,0,0]=3 28615 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000754576_100000210327 [0,1,0,1,0,0|1,0,0]=3 28616 B13R1.718 CNC(=O)CCOC1CCCCC1 7a_100000210231_100000737683 [0,1,0,1,0,0|1,0,0]=3 28617 B13R1.718 CNC(=O)CCOC1CCCCO1 34a_100000033831_100012179268 [0,1,0,1,0,0|2,0,0]=4 28618 B13R1.718 CNC(=O)CCOC1CCCOC1 34a_100000754041_100012179268 [0,1,0,1,0,0|2,0,0]=4 28619 B13R1.718 CNC(=O)CCOC1CCCOC1 34a_100000754576_100000693364 [0,1,0,1,0,0|2,0,0]=4 28620 B13R1.718 CNC(=O)CCOC1CCCSC1 7a_100015962668_100000737683 [0,1,0,1,0,0|2,0,0]=4 28621 B13R1.718 CNC(=O)CCOC1CCOCC1 34a_100000744328_100012179268 [0,1,0,1,0,0|2,0,0]=4 28622 B13R1.718 CNC(=O)CCOC1CCSCC1 34a_100000731022_100012179268 [0,1,0,1,0,0|2,0,0]=4 28623 B13R1.718 CNC(=O)CCOC1CCSCC1 34a_100000754576_100000069128 [0,1,0,1,0,0|2,0,0]=4 28624 B13R1.718 CNC(=O)CCOC1CCSCC1 7a_100000731022_100000737683 [0,1,0,1,0,0|2,0,0]=4 28625 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000210327_100000737683 [0,1,0,1,0,0|1,0,0]=3 28626 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000737683_100000210327 [0,1,0,1,0,0|1,0,0]=3 28627 B13R1.718 CNC(=O)CCSC1CCCOC1 62a_100000737683_100000693364 [0,1,0,1,0,0|2,0,0]=4 28628 B13R1.718 CNC(=O)CCSC1CCOCC1 62a_100000737683_100011324220 [0,1,0,1,0,0|2,0,0]=4 28629 B13R1.718 CNC(=O)CCSC1CCSCC1 62a_100000737683_100000069128 [0,1,0,1,0,0|2,0,0]=4 28630 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183359 [0,1,0,1,0,0|1,0,0]=3 28631 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000693194_100000211423 [0,1,0,1,0,0|1,0,0]=3 28632 B13R1.718 CNC(=O)CNCC1CCCCC1 269862a_100000693194_100000211278 [0,1,0,1,0,0|1,0,0]=3 28633 B13R1.718 CNC(=O)CNCC1CCCCC1 34a_100000210473_100000183359 [0,1,0,1,0,0|1,0,0]=3 28634 B13R1.718 CNC(=O)CNCC1CCCCO1 2230a_100000174945_100000183359 [0,1,0,1,0,0|2,0,0]=4 28635 B13R1.718 CNC(=O)CNCC1CCCCO1 2230a_100000693194_100000211543 [0,1,0,1,0,0|2,0,0]=4 28636 B13R1.718 CNC(=O)CNCC1CCCCO1 34a_100000174945_100000183359 [0,1,0,1,0,0|2,0,0]=4 28637 B13R1.718 CNC(=O)CNCC1CCCOC1 2230a_100000693194_100000741521 [0,1,0,1,0,0|2,0,0]=4 28638 B13R1.718 CNC(=O)CNCC1CCCOC1 2230a_100000720124_100000183359 [0,1,0,1,0,0|2,0,0]=4 28639 B13R1.718 CNC(=O)CNCC1CCCOC1 34a_100000720124_100000183359 [0,1,0,1,0,0|2,0,0]=4 28640 B13R1.718 CNC(=O)CNCC1CCOCC1 2230a_100000693194_100000754603 [0,1,0,1,0,0|2,0,0]=4 28641 B13R1.718 CNC(=O)CNCC1CCOCC1 2230a_100000746373_100000183359 [0,1,0,1,0,0|2,0,0]=4 28642 B13R1.718 CNC(=O)CNCC1CCOCC1 269862a_100000693194_100000749017 [0,1,0,1,0,0|2,0,0]=4 28643 B13R1.718 CNC(=O)CNCC1CCOCC1 34a_100000746373_100000183359 [0,1,0,1,0,0|2,0,0]=4 28644 B13R1.718 CNC(=O)CNCC1CCSCC1 2230a_100015188806_100000183359 [0,1,0,1,0,0|2,0,0]=4 28645 B13R1.718 CNC(=O)CNCC1CCSCC1 269862a_100000693194_100000067145 [0,1,0,1,0,0|2,0,0]=4 28646 B13R1.718 CNC(=O)CNCC1CCSCC1 270004a_100000693194_100000067145 [0,1,0,1,0,0|2,0,0]=4 28647 B13R1.718 CNC(=O)CNCC1CCSCC1 34a_100015188806_100000183359 [0,1,0,1,0,0|2,0,0]=4 28648 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000212181_100000183359 [0,1,0,1,0,0|1,0,0]=3 28649 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000750040_100000211423 [0,1,0,1,0,0|1,0,0]=3 28650 B13R1.718 CNC(=O)COCC1CCCCC1 7a_100000212181_100000183359 [0,1,0,1,0,0|1,0,0]=3 28651 B13R1.718 CNC(=O)COCC1CCCCN1 34a_100000210821_100000183359 [0,1,0,1,0,0|2,0,0]=4 28652 B13R1.718 CNC(=O)COCC1CCCCO1 11a_106832991635_100011223378 [0,1,0,1,0,0|2,0,0]=4 28653 B13R1.718 CNC(=O)COCC1CCCCO1 1626a_100102657272_100011223378 [0,1,0,1,0,0|2,0,0]=4 28654 B13R1.718 CNC(=O)COCC1CCCCO1 240690a_100102657272_100011223378 [0,1,0,1,0,0|2,0,0]=4 28655 B13R1.718 CNC(=O)COCC1CCCCO1 34a_100000211370_100000183359 [0,1,0,1,0,0|2,0,0]=4 28656 B13R1.718 CNC(=O)COCC1CCCCO1 34a_100000750040_100000211543 [0,1,0,1,0,0|2,0,0]=4 28657 B13R1.718 CNC(=O)COCC1CCCCO1 527a_100102657272_100011223378 [0,1,0,1,0,0|2,0,0]=4 28658 B13R1.718 CNC(=O)COCC1CCCCO1 7a_100000211370_100000183359 [0,1,0,1,0,0|2,0,0]=4 28659 B13R1.718 CNC(=O)COCC1CCCNC1 34a_100000211344_100000183359 [0,1,0,1,0,0|2,0,0]=4 28660 B13R1.718 CNC(=O)COCC1CCCOC1 34a_100000741520_100000183359 [0,1,0,1,0,0|2,0,0]=4 28661 B13R1.718 CNC(=O)COCC1CCCOC1 34a_100000750040_100000741521 [0,1,0,1,0,0|2,0,0]=4 28662 B13R1.718 CNC(=O)COCC1CCNCC1 34a_100000738675_100000183359 [0,1,0,1,0,0|2,0,0]=4 28663 B13R1.718 CNC(=O)COCC1CCOCC1 34a_100000749013_100000183359 [0,1,0,1,0,0|2,0,0]=4 28664 B13R1.718 CNC(=O)COCC1CCOCC1 34a_100000750040_100000754603 [0,1,0,1,0,0|2,0,0]=4 28665 B13R1.718 CNC(=O)COCC1CCSCC1 34a_100000070558_100000183359 [0,1,0,1,0,0|2,0,0]=4 28666 B13R1.718 CNC(=O)COCC1CCSCC1 7a_100000070558_100000183359 [0,1,0,1,0,0|2,0,0]=4 28667 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000183359_100000211423 [0,1,0,1,0,0|1,0,0]=3 28668 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000211423_100000183359 [0,1,0,1,0,0|1,0,0]=3 28669 B13R1.718 CNC(=O)CSCC1CCCCO1 62a_100000183359_100000211543 [0,1,0,1,0,0|2,0,0]=4 28670 B13R1.718 CNC(=O)CSCC1CCCCO1 62a_100000211543_100000183359 [0,1,0,1,0,0|2,0,0]=4 28671 B13R1.718 CNC(=O)CSCC1CCCOC1 62a_100000183359_100000741521 [0,1,0,1,0,0|2,0,0]=4 28672 B13R1.718 CNC(=O)CSCC1CCCOC1 62a_100000741521_100000183359 [0,1,0,1,0,0|2,0,0]=4 28673 B13R1.718 CNC(=O)CSCC1CCOCC1 62a_100000183359_100000749018 [0,1,0,1,0,0|2,0,0]=4 28674 B13R1.718 CNC(=O)CSCC1CCOCC1 62a_100000754603_100000183359 [0,1,0,1,0,0|2,0,0]=4 28675 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100000738074_106832991635 [0,1,0,1,0,0|1,0,0]=3 28676 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100102657272_100000738074 [0,1,0,1,0,0|1,0,0]=3 28677 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100000738074_100102657272 [0,1,0,1,0,0|1,0,0]=3 28678 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100102657272_100000738074 [0,1,0,1,0,0|1,0,0]=3 28679 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_100000738074_100102657272 [0,1,0,1,0,0|1,0,0]=3 28680 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_106832991638_100000738074 [0,1,0,1,0,0|1,0,0]=3 28681 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100015183643_106832991635 [0,1,0,1,0,0|2,0,0]=4 28682 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100102657272_100015183643 [0,1,0,1,0,0|2,0,0]=4 28683 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100015183643_100102657272 [0,1,0,1,0,0|2,0,0]=4 28684 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100102657272_100015183643 [0,1,0,1,0,0|2,0,0]=4 28685 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_100015183643_100102657272 [0,1,0,1,0,0|2,0,0]=4 28686 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_106832991638_100015183643 [0,1,0,1,0,0|2,0,0]=4 28687 B13R1.718 CNC(=O)NCCC1CCOCC1 2708a_100000755988_106832991635 [0,1,0,1,0,0|2,0,0]=4 28688 B13R1.718 CNC(=O)NCCC1CCOCC1 2708a_100102657272_100000755988 [0,1,0,1,0,0|2,0,0]=4 28689 B13R1.718 CNC(=O)NCCC1CCOCC1 273464a_100000755988_100102657272 [0,1,0,1,0,0|2,0,0]=4 28690 B13R1.718 CNC(=O)NCCC1CCOCC1 273464a_100102657272_100000755988 [0,1,0,1,0,0|2,0,0]=4 28691 B13R1.718 CNC(=O)NCCC1CCOCC1 512a_100000755988_100102657272 [0,1,0,1,0,0|2,0,0]=4 28692 B13R1.718 CNC(=O)NCCC1CCOCC1 512a_106832991638_100000755988 [0,1,0,1,0,0|2,0,0]=4 28693 B13R1.718 CNC(=O)NCCN1CCCCC1 2708a_100102657272_100000216509 [0,1,0,1,0,0|2,0,0]=4 28694 B13R1.718 CNC(=O)NCCN1CCCCC1 273464a_100000216509_100102657272 [0,1,0,1,0,0|2,0,0]=4 28695 B13R1.718 CNC(=O)NCCN1CCCCC1 273464a_100102657272_100000216509 [0,1,0,1,0,0|2,0,0]=4 28696 B13R1.718 CNC(=O)NNCC1CCCCC1 273464a_100102657272_100000740227 [0,1,0,1,0,0|2,0,0]=4 28697 B13R1.718 CNC(=O)NNCC1CCCCC1 512a_106832991638_100000740227 [0,1,0,1,0,0|2,0,0]=4 28698 B13R1.718 COC(=O)CCCN1CCCOC1 2230a_100000131196_100011218270 [0,1,0,1,0,0|2,0,0]=4 28699 B13R1.718 COC(=O)CCCN1CCCOC1 269982a_100000131196_100011218270 [0,1,0,1,0,0|2,0,0]=4 28700 B13R1.718 COC(=O)CCCN1CCCOC1 34a_100000131196_100000742333 [0,1,0,1,0,0|2,0,0]=4 28701 B13R1.718 COC(=O)CCCN1CCOCC1 2230a_100015191051_100011218270 [0,1,0,1,0,0|2,0,0]=4 28702 B13R1.718 COC(=O)CCCN1CCOCC1 269982a_100015191051_100011218270 [0,1,0,1,0,0|2,0,0]=4 28703 B13R1.718 COC(=O)CCCN1CCOCC1 34a_100015191051_100000742333 [0,1,0,1,0,0|2,0,0]=4 28704 B13R1.718 COC(=O)CCCN1CCSCC1 2230a_100000737611_100011218270 [0,1,0,1,0,0|2,0,0]=4 28705 B13R1.718 COC(=O)CCCN1CCSCC1 269982a_100000737611_100011218270 [0,1,0,1,0,0|2,0,0]=4 28706 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [0,1,0,1,0,0|1,0,0]=3 28707 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [0,1,0,1,0,0|1,0,0]=3 28708 B13R1.718 COC(=O)CCNC1CCCOC1 2230a_100000719290_100000204255 [0,1,0,1,0,0|2,0,0]=4 28709 B13R1.718 COC(=O)CCNC1CCCOC1 34a_100000719290_100000742370 [0,1,0,1,0,0|2,0,0]=4 28710 B13R1.718 COC(=O)CCNC1CCOCC1 2230a_100000741149_100000204255 [0,1,0,1,0,0|2,0,0]=4 28711 B13R1.718 COC(=O)CCNC1CCOCC1 34a_100000741149_100000742370 [0,1,0,1,0,0|2,0,0]=4 28712 B13R1.718 COC(=O)CCNC1CCSCC1 2230a_100000748639_100000204255 [0,1,0,1,0,0|2,0,0]=4 28713 B13R1.718 COC(=O)CCNC1CCSCC1 34a_100000748639_100000742370 [0,1,0,1,0,0|2,0,0]=4 28714 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [0,1,0,1,0,0|1,0,0]=3 28715 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [0,1,0,1,0,0|1,0,0]=3 28716 B13R1.718 COC(=O)CCOC1CCCCO1 34a_100000033831_100000742370 [0,1,0,1,0,0|2,0,0]=4 28717 B13R1.718 COC(=O)CCOC1CCCOC1 34a_100000754041_100000742370 [0,1,0,1,0,0|2,0,0]=4 28718 B13R1.718 COC(=O)CCOC1CCCSC1 7a_100015962668_100000204255 [0,1,0,1,0,0|2,0,0]=4 28719 B13R1.718 COC(=O)CCOC1CCOCC1 34a_100000744328_100000742370 [0,1,0,1,0,0|2,0,0]=4 28720 B13R1.718 COC(=O)CCOC1CCSCC1 34a_100000731022_100000742370 [0,1,0,1,0,0|2,0,0]=4 28721 B13R1.718 COC(=O)CCOC1CCSCC1 7a_100000731022_100000204255 [0,1,0,1,0,0|2,0,0]=4 28722 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [0,1,0,1,0,0|1,0,0]=3 28723 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [0,1,0,1,0,0|1,0,0]=3 28724 B13R1.718 COC(=O)CCSC1CCCOC1 62a_100000204255_100000693364 [0,1,0,1,0,0|2,0,0]=4 28725 B13R1.718 COC(=O)CCSC1CCOCC1 62a_100000204255_100011324220 [0,1,0,1,0,0|2,0,0]=4 28726 B13R1.718 COC(=O)CCSC1CCSCC1 62a_100000204255_100000069128 [0,1,0,1,0,0|2,0,0]=4 28727 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [0,1,0,1,0,0|1,0,0]=3 28728 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [0,1,0,1,0,0|1,0,0]=3 28729 B13R1.718 COC(=O)CNCC1CCCCO1 2230a_100000174945_100000747449 [0,1,0,1,0,0|2,0,0]=4 28730 B13R1.718 COC(=O)CNCC1CCCCO1 34a_100000174945_100000747449 [0,1,0,1,0,0|2,0,0]=4 28731 B13R1.718 COC(=O)CNCC1CCCOC1 2230a_100000720124_100000747449 [0,1,0,1,0,0|2,0,0]=4 28732 B13R1.718 COC(=O)CNCC1CCCOC1 34a_100000720124_100000747449 [0,1,0,1,0,0|2,0,0]=4 28733 B13R1.718 COC(=O)CNCC1CCOCC1 2230a_100000746373_100000747449 [0,1,0,1,0,0|2,0,0]=4 28734 B13R1.718 COC(=O)CNCC1CCOCC1 34a_100000746373_100000747449 [0,1,0,1,0,0|2,0,0]=4 28735 B13R1.718 COC(=O)CNCC1CCSCC1 2230a_100015188806_100000747449 [0,1,0,1,0,0|2,0,0]=4 28736 B13R1.718 COC(=O)CNCC1CCSCC1 34a_100015188806_100000747449 [0,1,0,1,0,0|2,0,0]=4 28737 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [0,1,0,1,0,0|1,0,0]=3 28738 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [0,1,0,1,0,0|1,0,0]=3 28739 B13R1.718 COC(=O)COCC1CCCCN1 34a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 28740 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [0,1,0,1,0,0|2,0,0]=4 28741 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [0,1,0,1,0,0|2,0,0]=4 28742 B13R1.718 COC(=O)COCC1CCCNC1 34a_100000211344_100000747449 [0,1,0,1,0,0|2,0,0]=4 28743 B13R1.718 COC(=O)COCC1CCCOC1 34a_100000741520_100000747449 [0,1,0,1,0,0|2,0,0]=4 28744 B13R1.718 COC(=O)COCC1CCNCC1 34a_100000738675_100000747449 [0,1,0,1,0,0|2,0,0]=4 28745 B13R1.718 COC(=O)COCC1CCOCC1 34a_100000749013_100000747449 [0,1,0,1,0,0|2,0,0]=4 28746 B13R1.718 COC(=O)COCC1CCSCC1 34a_100000070558_100000747449 [0,1,0,1,0,0|2,0,0]=4 28747 B13R1.718 COC(=O)COCC1CCSCC1 7a_100000070558_100000747449 [0,1,0,1,0,0|2,0,0]=4 28748 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [0,1,0,1,0,0|1,0,0]=3 28749 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [0,1,0,1,0,0|1,0,0]=3 28750 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000211543_100000747449 [0,1,0,1,0,0|2,0,0]=4 28751 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000747449_100000211543 [0,1,0,1,0,0|2,0,0]=4 28752 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000741521_100000747449 [0,1,0,1,0,0|2,0,0]=4 28753 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000747449_100000741521 [0,1,0,1,0,0|2,0,0]=4 28754 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000747449_100000749018 [0,1,0,1,0,0|2,0,0]=4 28755 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000754603_100000747449 [0,1,0,1,0,0|2,0,0]=4 28756 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [0,1,0,1,0,0|2,0,0]=4 28757 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [0,1,0,1,0,0|0,0,0]=2 28758 B13R1.718 O=C(CF)CCCN1CCCCC1 1458a_100000742516_100015361967 [0,1,0,1,0,0|1,0,0]=3 28759 B13R1.718 O=C(CF)COCC1CCCCO1 1458a_100011223378_100015361967 [0,1,0,1,0,0|2,0,0]=4 28760 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|0,0,0]=2 28761 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [0,1,0,1,0,0|1,0,0]=3 28762 B13R1.718 O=C(CO)CCCN1CCOCC1 1458a_100000210174_100000748698 [0,1,0,1,0,0|2,0,0]=4 28763 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [0,1,0,1,0,0|1,0,0]=3 28764 B13R1.718 O=C(CO)CCOC1CCCCO1 1458a_100000210174_100000744793 [0,1,0,1,0,0|2,0,0]=4 28765 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,1,0,1,0,0|1,0,0]=3 28766 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,1,0,1,0,0|1,0,0]=3 28767 B13R1.718 O=C(CO)NCCC1CCCCO1 240690a_100015183643_100000210174 [0,1,0,1,0,0|2,0,0]=4 28768 B13R1.718 O=C(CO)NCCC1CCCCO1 527a_100015183643_100000210174 [0,1,0,1,0,0|2,0,0]=4 28769 B13R1.718 O=C(CO)NCCC1CCOCC1 240690a_100000755988_100000210174 [0,1,0,1,0,0|2,0,0]=4 28770 B13R1.718 O=C(CO)NCCC1CCOCC1 527a_100000755988_100000210174 [0,1,0,1,0,0|2,0,0]=4 28771 B13R1.718 O=C(CO)NCCN1CCCCC1 240690a_100000216509_100000210174 [0,1,0,1,0,0|2,0,0]=4 28772 B13R1.718 O=C(CO)NCCN1CCCCC1 527a_100000216509_100000210174 [0,1,0,1,0,0|2,0,0]=4 28773 B13R1.718 O=C(CO)NNCC1CCCCC1 22a_100000740227_100000210174 [0,1,0,1,0,0|2,0,0]=4 28774 B13R1.1689 C=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000185746 [0,1,0,1,0,0|1,0,1]=4 28775 B13R1.1689 C=CC(=O)N1CCCCCCCC1 240690a_100000039187_200121576911 [0,1,0,1,0,0|1,0,1]=4 28776 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 28777 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 28778 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 28779 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 28780 B13R1.1689 CNC(=O)N1CCCCCCCC1 2708a_100102657272_100000039187 [0,1,0,1,0,0|1,0,0]=3 28781 B13R1.1689 CNC(=O)N1CCCCCCCC1 273464a_100102657272_100000039187 [0,1,0,1,0,0|1,0,0]=3 28782 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,0,1,0,0|1,0,0]=3 28783 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,0,1,0,0|1,0,0]=3 28784 B13R1.1711 C#CC(=O)CCN1CCCCCC1 1458a_100000211873_100000722644 [0,1,0,1,0,0|1,0,1]=4 28785 B13R1.1711 C=CC(=O)CCN1CCCCCC1 1458a_100000185746_100000722644 [0,1,0,1,0,0|1,0,1]=4 28786 B13R1.1711 C=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000185746 [0,1,0,1,0,0|1,0,1]=4 28787 B13R1.1711 C=CC(=O)NCC1CCCCCC1 240690a_100015204231_200121576911 [0,1,0,1,0,0|1,0,1]=4 28788 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [0,1,0,1,0,0|1,0,0]=3 28789 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [0,1,0,1,0,0|1,0,0]=3 28790 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [0,1,0,1,0,0|1,0,0]=3 28791 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [0,1,0,1,0,0|1,0,0]=3 28792 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [0,1,0,1,0,0|1,0,0]=3 28793 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [0,1,0,1,0,0|1,0,0]=3 28794 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 28795 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 28796 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 28797 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 28798 B13R1.1711 CNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737683 [0,1,0,1,0,0|1,0,0]=3 28799 B13R1.1711 CNC(=O)CCN1CCCCCC1 240690a_100102657272_100000740320 [0,1,0,1,0,0|1,0,0]=3 28800 B13R1.1711 CNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737683 [0,1,0,1,0,0|1,0,0]=3 28801 B13R1.1711 CNC(=O)CCN1CCCCCC1 34a_100000185865_100012179268 [0,1,0,1,0,0|1,0,0]=3 28802 B13R1.1711 CNC(=O)CCN1CCCOCC1 2230a_100000685342_100000737683 [0,1,0,1,0,0|2,0,0]=4 28803 B13R1.1711 CNC(=O)CCN1CCCOCC1 269982a_100000685342_100000737683 [0,1,0,1,0,0|2,0,0]=4 28804 B13R1.1711 CNC(=O)CCN1CCCOCC1 34a_100000685342_100012179268 [0,1,0,1,0,0|2,0,0]=4 28805 B13R1.1711 CNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183359 [0,1,0,1,0,0|1,0,0]=3 28806 B13R1.1711 CNC(=O)CNC1CCCCCC1 270004a_100000693194_100000210131 [0,1,0,1,0,0|1,0,0]=3 28807 B13R1.1711 CNC(=O)CNC1CCCCCC1 34a_100000210984_100000183359 [0,1,0,1,0,0|1,0,0]=3 28808 B13R1.1711 CNC(=O)CNC1CCCNCC1 270004a_100000693194_100015187895 [0,1,0,1,0,0|2,0,0]=4 28809 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000210887_100000183359 [0,1,0,1,0,0|1,0,0]=3 28810 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000750040_100011217769 [0,1,0,1,0,0|1,0,0]=3 28811 B13R1.1711 CNC(=O)COC1CCCCCC1 7a_100000210887_100000183359 [0,1,0,1,0,0|1,0,0]=3 28812 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100000183359_100011217769 [0,1,0,1,0,0|1,0,0]=3 28813 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100011217769_100000183359 [0,1,0,1,0,0|1,0,0]=3 28814 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [0,1,0,1,0,0|1,0,0]=3 28815 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [0,1,0,1,0,0|1,0,0]=3 28816 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [0,1,0,1,0,0|1,0,0]=3 28817 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [0,1,0,1,0,0|1,0,0]=3 28818 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [0,1,0,1,0,0|1,0,0]=3 28819 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [0,1,0,1,0,0|1,0,0]=3 28820 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [0,1,0,1,0,0|1,0,0]=3 28821 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [0,1,0,1,0,0|1,0,0]=3 28822 B13R1.1711 COC(=O)CCN1CCCOCC1 2230a_100000685342_100000204255 [0,1,0,1,0,0|2,0,0]=4 28823 B13R1.1711 COC(=O)CCN1CCCOCC1 269982a_100000685342_100000204255 [0,1,0,1,0,0|2,0,0]=4 28824 B13R1.1711 COC(=O)CCN1CCCOCC1 34a_100000685342_100000742370 [0,1,0,1,0,0|2,0,0]=4 28825 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [0,1,0,1,0,0|1,0,0]=3 28826 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [0,1,0,1,0,0|1,0,0]=3 28827 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [0,1,0,1,0,0|1,0,0]=3 28828 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [0,1,0,1,0,0|1,0,0]=3 28829 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [0,1,0,1,0,0|1,0,0]=3 28830 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [0,1,0,1,0,0|1,0,0]=3 28831 B13R1.1711 O=C(CF)CCN1CCCCCC1 1458a_100000740320_100015361967 [0,1,0,1,0,0|1,0,0]=3 28832 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,1,0,0|1,0,0]=3 28833 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 28834 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 28835 B13R1.1870 C=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000185746 [0,1,0,1,0,0|1,0,1]=4 28836 B13R1.1870 C=CC(=O)NC1CCCCCCC1 240690a_100000211152_200121576911 [0,1,0,1,0,0|1,0,1]=4 28837 B13R1.1870 CCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747405 [0,1,0,1,0,0|1,0,0]=3 28838 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 28839 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 28840 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 28841 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 28842 B13R1.1870 CNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183359 [0,1,0,1,0,0|1,0,0]=3 28843 B13R1.1870 CNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183359 [0,1,0,1,0,0|1,0,0]=3 28844 B13R1.1870 CNC(=O)CN1CCCCCCC1 34a_100000211400_100000183359 [0,1,0,1,0,0|1,0,0]=3 28845 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100000211152_106832991635 [0,1,0,1,0,0|1,0,0]=3 28846 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100102657272_100000211152 [0,1,0,1,0,0|1,0,0]=3 28847 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100000211152_100102657272 [0,1,0,1,0,0|1,0,0]=3 28848 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100102657272_100000211152 [0,1,0,1,0,0|1,0,0]=3 28849 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_100000211152_100102657272 [0,1,0,1,0,0|1,0,0]=3 28850 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_106832991638_100000211152 [0,1,0,1,0,0|1,0,0]=3 28851 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [0,1,0,1,0,0|1,0,0]=3 28852 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [0,1,0,1,0,0|1,0,0]=3 28853 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [0,1,0,1,0,0|1,0,0]=3 28854 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [0,1,0,1,0,0|1,0,0]=3 28855 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [0,1,0,1,0,0|1,0,0]=3 28856 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [0,1,0,1,0,0|1,0,0]=3 28857 B13R1.1885 CCCCOCN1CC1C(=O)OC 2230a_200009830135_100011995733 [0,1,0,1,0,0|2,0,0]=4 28858 B13R1.1885 CCCOCCN1CC1C(=O)OC 2230a_200009830135_100011215938 [0,1,0,1,0,0|2,0,0]=4 28859 B13R1.1885 CCOCCCN1CC1C(=O)OC 2230a_200009830135_100012232248 [0,1,0,1,0,0|2,0,0]=4 28860 B13R1.1885 COC(=O)C1CN1CCCCCF 2230a_200009830135_100000729378 [0,1,0,1,0,0|2,0,0]=4 28861 B13R1.1885 COC(=O)C1CN1CCCCCO 2230a_200009830135_100000746330 [0,1,0,1,0,0|2,0,0]=4 28862 B13R1.1885 COCCCCN1CC1C(=O)OC 2230a_200009830135_100000730899 [0,1,0,1,0,0|2,0,0]=4 28863 B13R1.1917 CCCNC1CCCCN(C1=O)C 2230a_100159325733_100000210303 [0,1,0,1,0,0|2,0,0]=4 28864 B13R1.1917 CCCNC1CCCCN(C1=O)C 34a_100159325733_100000210303 [0,1,0,1,0,0|2,0,0]=4 28865 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [0,1,0,1,0,0|1,0,0]=3 28866 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [0,1,0,1,0,0|1,0,0]=3 28867 B13R1.2855 CCOCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011215890 [0,1,0,1,0,0|2,0,0]=4 28868 B13R1.2855 CCOCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011215890 [0,1,0,1,0,0|2,0,0]=4 28869 B13R1.2855 CCSCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000757381 [0,1,0,1,0,0|2,0,0]=4 28870 B13R1.2855 CCSCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000757381 [0,1,0,1,0,0|2,0,0]=4 28871 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 2230a_102516456887_100000729493 [0,1,0,1,0,0|2,0,0]=4 28872 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 269982a_102516456887_100000729493 [0,1,0,1,0,0|2,0,0]=4 28873 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 2230a_102516456887_100000210776 [0,1,0,1,0,0|2,0,0]=4 28874 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 269982a_102516456887_100000210776 [0,1,0,1,0,0|2,0,0]=4 28875 B13R1.2855 COCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000740836 [0,1,0,1,0,0|2,0,0]=4 28876 B13R1.2855 COCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000740836 [0,1,0,1,0,0|2,0,0]=4 28877 B13R1.3440 CCCCCNC1CCN(C1=O)C 2230a_100000209983_100000755940 [0,1,0,1,0,0|2,0,0]=4 28878 B13R1.3440 CCCCCOC1CCN(C1=O)C 34a_100000210253_100000755940 [0,1,0,1,0,0|2,0,0]=4 28879 B13R1.3440 CCCCCOC1CCN(C1=O)C 7a_100000210253_100000755940 [0,1,0,1,0,0|2,0,0]=4 28880 B13R1.3440 CCCCCSC1CCN(C1=O)C 62a_100000210326_100000755940 [0,1,0,1,0,0|2,0,0]=4 28881 B13R1.3440 CCCCCSC1CCN(C1=O)C 62a_100000755940_100000210326 [0,1,0,1,0,0|2,0,0]=4 28882 B13R1.3440 CCCCOCC1CCN(C1=O)C 34a_100009823153_100000210210 [0,1,0,1,0,0|2,0,0]=4 28883 B13R1.89 CC(=O)C(C)N1CCCCC1CO 2230a_100000210821_100009814033 [0,1,0,1,0,0|2,0,0]=4 28884 B13R1.89 CC(=O)C(C)N1CCCCC1CO 269982a_100000210821_100009814033 [0,1,0,1,0,0|2,0,0]=4 28885 B13R1.89 CCC1CCCCN1C(C)C(=O)C 2230a_100000210034_100009814033 [0,1,0,1,0,0|1,0,0]=3 28886 B13R1.89 CCC1CCCCN1C(C)C(=O)C 269982a_100000210034_100009814033 [0,1,0,1,0,0|1,0,0]=3 28887 B13R1.89 CCC1CCCCN1C(C)C(=O)N 2230a_100000210034_100000702099 [0,1,0,1,0,0|2,0,0]=4 28888 B13R1.89 CCC1CCCCN1C(C)C(=O)N 269982a_100000210034_100000184083 [0,1,0,1,0,0|2,0,0]=4 28889 B13R1.89 CCC1CCCCN1C(C)C(=O)N 34a_100000210034_100000702099 [0,1,0,1,0,0|2,0,0]=4 28890 B13R1.89 CCC1CCCCN1C(F)C(=O)N 2230a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 28891 B13R1.89 CCC1CCCCN1C(F)C(=O)N 269982a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 28892 B13R1.89 CCC1CCCCN1C(F)C(=O)N 34a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 28893 B13R1.89 CCC1CCCCN1C(F)C(=O)[O-] 34a_100000210034_100020610796 [0,1,0,1,0,0|2,0,0]=4 28894 B13R1.89 CC[C@H]1COCCN1C(C)C(=O)C 2230a_100016988097_100009814033 [0,1,0,1,0,0|2,0,0]=4 28895 B13R1.89 CC[C@H]1COCCN1C(C)C(=O)C 269982a_100016988097_100009814033 [0,1,0,1,0,0|2,0,0]=4 28896 B13R1.169 CC(=O)C(=O)COC1CCCC1C 34a_100011216460_100011261029 [0,1,0,1,0,0|1,0,1]=4 28897 B13R1.191 CCCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210326 [0,1,0,1,0,0|2,0,0]=4 28898 B13R1.191 CCCCCNC1CC(=O)N(C1)C 34a_100000748898_100000718602 [0,1,0,1,0,0|2,0,0]=4 28899 B13R1.191 CCCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210210 [0,1,0,1,0,0|2,0,0]=4 28900 B13R1.202 C=C(C)C(C)NC1CCCCC1C 269862a_100000211402_100011216138 [0,1,0,1,0,0|2,0,0]=4 28901 B13R1.202 CC(=O)C(=O)CN1CCCCC1C 269982a_100000211376_100011261029 [0,1,0,1,0,0|1,0,1]=4 28902 B13R1.202 CC(=O)C(=O)CN1CCCCC1C 34a_100000211376_100011261029 [0,1,0,1,0,0|1,0,1]=4 28903 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100009814033 [0,1,0,1,0,0|1,0,0]=3 28904 B13R1.202 CC(=O)C(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009814033 [0,1,0,1,0,0|2,0,0]=4 28905 B13R1.202 CC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000179758 [0,1,0,1,0,0|1,0,0]=3 28906 B13R1.202 CC(=O)C(C)OC1CCCCC1Cl 7a_100000038908_100000179758 [0,1,0,1,0,0|2,0,0]=4 28907 B13R1.202 CC(=O)C(C)OC1CCCCC1F 34a_100000212229_100015423560 [0,1,0,1,0,0|2,0,0]=4 28908 B13R1.202 CC(=O)C(C)OC1CCCCC1O 34a_100000212229_100000038908 [0,1,0,1,0,0|2,0,0]=4 28909 B13R1.202 CC(=O)C(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000179758 [0,1,0,1,0,0|2,0,0]=4 28910 B13R1.202 CC(=O)C(C)SC1CCCCC1F 62a_100009814033_100015423560 [0,1,0,1,0,0|2,0,0]=4 28911 B13R1.202 CC(=O)C(C)SC1CCCCC1F 62a_100015423560_100009814033 [0,1,0,1,0,0|2,0,0]=4 28912 B13R1.202 CC(=O)C(C)SC1CCCCC1O 62a_100000038908_100009814033 [0,1,0,1,0,0|2,0,0]=4 28913 B13R1.202 CC(=O)C(C)SC1CCCCC1O 62a_100009814033_100000038908 [0,1,0,1,0,0|2,0,0]=4 28914 B13R1.202 CC(=O)N(C)CC1CCCCN1C 240690a_100015185953_100015343762 [0,1,0,1,0,0|2,0,0]=4 28915 B13R1.202 CC(=O)N(C)CC1CCCCN1C 527a_100015185953_100103153847 [0,1,0,1,0,0|2,0,0]=4 28916 B13R1.202 CC(NC1CCCCC1C)C(=O)N 2230a_100000211402_100000702099 [0,1,0,1,0,0|2,0,0]=4 28917 B13R1.202 CC(NC1CCCCC1C)C(=O)N 34a_100000211402_100000702099 [0,1,0,1,0,0|2,0,0]=4 28918 B13R1.202 CC(OC1CCCCC1C)C(=O)N 34a_100000211207_100000702099 [0,1,0,1,0,0|2,0,0]=4 28919 B13R1.202 CC(OC1CCCCC1C)C(=O)N 7a_100000211207_100000702099 [0,1,0,1,0,0|2,0,0]=4 28920 B13R1.202 CC1CCCCC1NC(F)C(=O)N 2230a_100000211402_100009813875 [0,1,0,1,0,0|2,0,0]=4 28921 B13R1.202 CC1CCCCC1NC(F)C(=O)N 34a_100000211402_100009813875 [0,1,0,1,0,0|2,0,0]=4 28922 B13R1.202 CC1CCCCC1NC(F)C(=O)[O-] 34a_100000211402_100020610796 [0,1,0,1,0,0|2,0,0]=4 28923 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000210921 [0,1,0,1,0,0|2,0,0]=4 28924 B13R1.202 CC1CCCCC1OC(F)C(=O)N 34a_100000211207_100009813875 [0,1,0,1,0,0|2,0,0]=4 28925 B13R1.202 CC1CCCCC1OC(F)C(=O)N 7a_100000211207_100009813875 [0,1,0,1,0,0|2,0,0]=4 28926 B13R1.202 CC1CCCCC1OC(F)C(=O)[O-] 34a_100000211207_100020610796 [0,1,0,1,0,0|2,0,0]=4 28927 B13R1.351 C=C(C)C(=O)CCC1CCCCC1 1458a_100000185857_100011273959 [0,1,0,1,0,0|1,0,1]=4 28928 B13R1.351 C=C(C)C(C)NCC1CCCCC1 269862a_100000210473_100011216138 [0,1,0,1,0,0|2,0,0]=4 28929 B13R1.351 CC(=O)C(=O)CNC1CCCCC1 34a_100000182618_100011261029 [0,1,0,1,0,0|1,0,1]=4 28930 B13R1.351 CC(=O)C(=O)COC1CCCCC1 34a_100000210231_100011261029 [0,1,0,1,0,0|1,0,1]=4 28931 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100000210327_100011261029 [0,1,0,1,0,0|1,0,1]=4 28932 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100011261029_100000210327 [0,1,0,1,0,0|1,0,1]=4 28933 B13R1.351 CC(=O)C(C)COC1CCCCC1 34a_100000032740_100000210327 [0,1,0,1,0,0|1,0,0]=3 28934 B13R1.351 CC(=O)C(C)COC1CCCCC1 7a_100000032740_100000210327 [0,1,0,1,0,0|1,0,0]=3 28935 B13R1.351 CC(=O)C(C)COC1CCCOC1 34a_100000032740_100000693364 [0,1,0,1,0,0|2,0,0]=4 28936 B13R1.351 CC(=O)C(C)COC1CCCOC1 7a_100000032740_100000693364 [0,1,0,1,0,0|2,0,0]=4 28937 B13R1.351 CC(=O)C(C)COC1CCOCC1 7a_100000032740_100000686592 [0,1,0,1,0,0|2,0,0]=4 28938 B13R1.351 CC(=O)C(C)COC1CCSCC1 34a_100000032740_100000069128 [0,1,0,1,0,0|2,0,0]=4 28939 B13R1.351 CC(=O)C(C)COC1CCSCC1 7a_100000032740_100011500858 [0,1,0,1,0,0|2,0,0]=4 28940 B13R1.351 CC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100009814033 [0,1,0,1,0,0|1,0,0]=3 28941 B13R1.351 CC(=O)C(C)NCC1CCCCO1 2230a_100000174945_100009814033 [0,1,0,1,0,0|2,0,0]=4 28942 B13R1.351 CC(=O)C(C)NCC1CCCOC1 2230a_100000720124_100009814033 [0,1,0,1,0,0|2,0,0]=4 28943 B13R1.351 CC(=O)C(C)NCC1CCOCC1 2230a_100000746373_100009814033 [0,1,0,1,0,0|2,0,0]=4 28944 B13R1.351 CC(=O)C(C)NCC1CCSCC1 2230a_100015188806_100009814033 [0,1,0,1,0,0|2,0,0]=4 28945 B13R1.351 CC(=O)C(C)OCC1CCCCC1 34a_100000212229_100000211423 [0,1,0,1,0,0|1,0,0]=3 28946 B13R1.351 CC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000179758 [0,1,0,1,0,0|1,0,0]=3 28947 B13R1.351 CC(=O)C(C)OCC1CCCCO1 34a_100000212229_100000211543 [0,1,0,1,0,0|2,0,0]=4 28948 B13R1.351 CC(=O)C(C)OCC1CCCCO1 7a_100000211370_100000179758 [0,1,0,1,0,0|2,0,0]=4 28949 B13R1.351 CC(=O)C(C)OCC1CCCOC1 34a_100000212229_100000741521 [0,1,0,1,0,0|2,0,0]=4 28950 B13R1.351 CC(=O)C(C)OCC1CCOCC1 34a_100000212229_100000754603 [0,1,0,1,0,0|2,0,0]=4 28951 B13R1.351 CC(=O)C(C)OCC1CCSCC1 7a_100000070558_100000179758 [0,1,0,1,0,0|2,0,0]=4 28952 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100000211423_100009814033 [0,1,0,1,0,0|1,0,0]=3 28953 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100009814033_100000211423 [0,1,0,1,0,0|1,0,0]=3 28954 B13R1.351 CC(=O)C(C)SCC1CCCCO1 62a_100000211543_100009814033 [0,1,0,1,0,0|2,0,0]=4 28955 B13R1.351 CC(=O)C(C)SCC1CCCCO1 62a_100009814033_100000211543 [0,1,0,1,0,0|2,0,0]=4 28956 B13R1.351 CC(=O)C(C)SCC1CCCOC1 62a_100000741521_100009814033 [0,1,0,1,0,0|2,0,0]=4 28957 B13R1.351 CC(=O)C(C)SCC1CCCOC1 62a_100009814033_100000741521 [0,1,0,1,0,0|2,0,0]=4 28958 B13R1.351 CC(=O)C(C)SCC1CCOCC1 62a_100000754603_100009814033 [0,1,0,1,0,0|2,0,0]=4 28959 B13R1.351 CC(=O)C(C)SCC1CCOCC1 62a_100009814033_100000749018 [0,1,0,1,0,0|2,0,0]=4 28960 B13R1.351 CC(=O)N(C)CCC1CCCCO1 11a_100015183322_100015343762 [0,1,0,1,0,0|2,0,0]=4 28961 B13R1.351 CC(=O)N(C)CCC1CCCCO1 1626a_100015183322_100015343762 [0,1,0,1,0,0|2,0,0]=4 28962 B13R1.351 CC(=O)N(C)CCC1CCCCO1 240690a_100015183322_100015343762 [0,1,0,1,0,0|2,0,0]=4 28963 B13R1.351 CC(=O)N(C)CCC1CCCCO1 527a_100015183322_100103153847 [0,1,0,1,0,0|2,0,0]=4 28964 B13R1.351 CC(CNC1CCCCC1)C(=O)O 269956a_100000749485_100000210327 [0,1,0,1,0,0|2,0,0]=4 28965 B13R1.351 CC(NCC1CCCCC1)C(=O)N 2230a_100000210473_100000702099 [0,1,0,1,0,0|2,0,0]=4 28966 B13R1.351 CC(NCC1CCCCC1)C(=O)N 34a_100000210473_100000702099 [0,1,0,1,0,0|2,0,0]=4 28967 B13R1.351 CC(OCC1CCCCC1)C(=O)N 34a_100000212181_100000702099 [0,1,0,1,0,0|2,0,0]=4 28968 B13R1.351 CC(OCC1CCCCC1)C(=O)N 7a_100000212181_100000702099 [0,1,0,1,0,0|2,0,0]=4 28969 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000211423_100000702099 [0,1,0,1,0,0|2,0,0]=4 28970 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000702099_100000211423 [0,1,0,1,0,0|2,0,0]=4 28971 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 2230a_100000119354_100000211423 [0,1,0,1,0,0|2,0,0]=4 28972 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 34a_100000119354_100000211423 [0,1,0,1,0,0|2,0,0]=4 28973 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 34a_100000731257_100000211423 [0,1,0,1,0,0|2,0,0]=4 28974 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 7a_100000731257_100000211423 [0,1,0,1,0,0|2,0,0]=4 28975 B13R1.351 C[C@H](NCC1CCCCC1)C(=O)O 269956a_100000743915_100000211423 [0,1,0,1,0,0|2,0,0]=4 28976 B13R1.351 C[C@H](OCC1CCCCC1)C(=O)[O-] 7a_217856618621_100000211423 [0,1,0,1,0,0|2,0,0]=4 28977 B13R1.351 NC(=O)C(F)NCC1CCCCC1 2230a_100000210473_100009813875 [0,1,0,1,0,0|2,0,0]=4 28978 B13R1.351 NC(=O)C(F)NCC1CCCCC1 34a_100000210473_100009813875 [0,1,0,1,0,0|2,0,0]=4 28979 B13R1.351 NC(=O)C(F)OCC1CCCCC1 34a_100000212181_100009813875 [0,1,0,1,0,0|2,0,0]=4 28980 B13R1.351 NC(=O)C(F)OCC1CCCCC1 7a_100000212181_100009813875 [0,1,0,1,0,0|2,0,0]=4 28981 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100000211423_100009813875 [0,1,0,1,0,0|2,0,0]=4 28982 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100009813875_100000211423 [0,1,0,1,0,0|2,0,0]=4 28983 B13R1.351 NC(=O)[C@@H](N)COC1CCCCC1 34a_100000729942_100000210327 [0,1,0,1,0,0|2,0,0]=4 28984 B13R1.351 O=C(O)C(F)CNC1CCCCC1 269956a_100000084737_100000210327 [0,1,0,1,0,0|2,0,0]=4 28985 B13R1.351 O=C([O-])C(F)NCC1CCCCC1 34a_100000210473_100020610796 [0,1,0,1,0,0|2,0,0]=4 28986 B13R1.351 O=C([O-])C(F)OCC1CCCCC1 34a_100000212181_100020610796 [0,1,0,1,0,0|2,0,0]=4 28987 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100000211423_100020610796 [0,1,0,1,0,0|2,0,0]=4 28988 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100020610796_100000211423 [0,1,0,1,0,0|2,0,0]=4 28989 B13R1.391 COC[C@@H]1CCCN1C(C)C(=O)C 2230a_100020646714_100009814033 [0,1,0,1,0,0|2,0,0]=4 28990 B13R1.391 COC[C@@H]1CCCN1C(C)C(=O)C 269982a_100020646714_100009814033 [0,1,0,1,0,0|2,0,0]=4 28991 B13R1.669 CCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210326 [0,1,0,1,0,0|2,0,0]=4 28992 B13R1.669 CCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210215 [0,1,0,1,0,0|2,0,0]=4 28993 B13R1.669 CCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210211 [0,1,0,1,0,0|2,0,0]=4 28994 B13R1.669 CCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210210 [0,1,0,1,0,0|2,0,0]=4 28995 B13R1.1110 C=C(C)C(=O)CCCC1CCCC1 1458a_100000185857_100011713738 [0,1,0,1,0,0|1,0,1]=4 28996 B13R1.1110 C=C(C)C(C)NCCC1CCCC1 269862a_100000739158_100011216138 [0,1,0,1,0,0|2,0,0]=4 28997 B13R1.1110 CC(=O)C(=O)CNCC1CCCC1 34a_100000737975_100011261029 [0,1,0,1,0,0|1,0,1]=4 28998 B13R1.1110 CC(=O)C(=O)COCC1CCCC1 34a_100000742336_100011261029 [0,1,0,1,0,0|1,0,1]=4 28999 B13R1.1110 CC(=O)C(=O)CSCC1CCCC1 62a_100000740388_100011261029 [0,1,0,1,0,0|1,0,1]=4 29000 B13R1.1110 CC(=O)C(=O)CSCC1CCCC1 62a_100011261029_100000740388 [0,1,0,1,0,0|1,0,1]=4 29001 B13R1.1110 CC(=O)C(C)COCC1CCCC1 34a_100000032740_100000740388 [0,1,0,1,0,0|1,0,0]=3 29002 B13R1.1110 CC(=O)C(C)COCC1CCCC1 7a_100000032740_100000740388 [0,1,0,1,0,0|1,0,0]=3 29003 B13R1.1110 CC(=O)C(C)COCC1CCCO1 7a_100000032740_100000203698 [0,1,0,1,0,0|2,0,0]=4 29004 B13R1.1110 CC(=O)C(C)COCC1CCOC1 34a_100000032740_100011261433 [0,1,0,1,0,0|2,0,0]=4 29005 B13R1.1110 CC(=O)C(C)COCC1CCOC1 7a_100000032740_100000702531 [0,1,0,1,0,0|2,0,0]=4 29006 B13R1.1110 CC(=O)C(C)NCCC1CCCC1 2230a_100000739158_100009814033 [0,1,0,1,0,0|1,0,0]=3 29007 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 34a_100000212229_100000760354 [0,1,0,1,0,0|1,0,0]=3 29008 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 7a_100000749090_100000179758 [0,1,0,1,0,0|1,0,0]=3 29009 B13R1.1110 CC(=O)C(C)SCCC1CCCC1 62a_100000760354_100009814033 [0,1,0,1,0,0|1,0,0]=3 29010 B13R1.1110 CC(=O)C(C)SCCC1CCCC1 62a_100009814033_100000760354 [0,1,0,1,0,0|1,0,0]=3 29011 B13R1.1110 CC(=O)C(C)SCCN1CCCC1 62a_100000700749_100009814033 [0,1,0,1,0,0|2,0,0]=4 29012 B13R1.1110 CC(=O)C(C)SCCN1CCCC1 62a_100009814033_100000004467 [0,1,0,1,0,0|2,0,0]=4 29013 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 11a_100015186261_100015343762 [0,1,0,1,0,0|1,0,0]=3 29014 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 1626a_100015186261_100015343762 [0,1,0,1,0,0|1,0,0]=3 29015 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 240690a_100015186261_100015343762 [0,1,0,1,0,0|1,0,0]=3 29016 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 527a_100015186261_100103153847 [0,1,0,1,0,0|1,0,0]=3 29017 B13R1.1110 CC(=O)N(C)CCCC1CCCO1 11a_100011698863_100015343762 [0,1,0,1,0,0|2,0,0]=4 29018 B13R1.1110 CC(=O)N(C)CCCC1CCCO1 1626a_100011698863_100015343762 [0,1,0,1,0,0|2,0,0]=4 29019 B13R1.1110 CC(=O)N(C)CCCC1CCCO1 240690a_100011698863_100015343762 [0,1,0,1,0,0|2,0,0]=4 29020 B13R1.1110 CC(=O)N(C)CCCC1CCCO1 527a_100011698863_100103153847 [0,1,0,1,0,0|2,0,0]=4 29021 B13R1.1110 CC(=O)N(C)CCCN1CCCC1 240690a_100000233079_100015343762 [0,1,0,1,0,0|2,0,0]=4 29022 B13R1.1110 CC(=O)N(C)CCCN1CCCC1 527a_100000233079_100103153847 [0,1,0,1,0,0|2,0,0]=4 29023 B13R1.1110 CC(CNCC1CCCC1)C(=O)O 269956a_100000749485_100000740388 [0,1,0,1,0,0|2,0,0]=4 29024 B13R1.1110 CC(NCCC1CCCC1)C(=O)N 2230a_100000739158_100000702099 [0,1,0,1,0,0|2,0,0]=4 29025 B13R1.1110 CC(NCCC1CCCC1)C(=O)N 34a_100000739158_100000702099 [0,1,0,1,0,0|2,0,0]=4 29026 B13R1.1110 CC(OCCC1CCCC1)C(=O)N 34a_100000749090_100000702099 [0,1,0,1,0,0|2,0,0]=4 29027 B13R1.1110 CC(OCCC1CCCC1)C(=O)N 7a_100000749090_100000702099 [0,1,0,1,0,0|2,0,0]=4 29028 B13R1.1110 CC(SCCC1CCCC1)C(=O)N 62a_100000702099_100000760354 [0,1,0,1,0,0|2,0,0]=4 29029 B13R1.1110 CC(SCCC1CCCC1)C(=O)N 62a_100000760354_100000702099 [0,1,0,1,0,0|2,0,0]=4 29030 B13R1.1110 C[C@@H](NCCC1CCCC1)C(=O)N 2230a_100000119354_100000760354 [0,1,0,1,0,0|2,0,0]=4 29031 B13R1.1110 C[C@@H](NCCC1CCCC1)C(=O)N 34a_100000119354_100000760354 [0,1,0,1,0,0|2,0,0]=4 29032 B13R1.1110 C[C@@H](OCCC1CCCC1)C(=O)N 34a_100000731257_100000760354 [0,1,0,1,0,0|2,0,0]=4 29033 B13R1.1110 C[C@@H](OCCC1CCCC1)C(=O)N 7a_100000731257_100000760354 [0,1,0,1,0,0|2,0,0]=4 29034 B13R1.1110 C[C@H](NCCC1CCCC1)C(=O)O 269956a_100000743915_100000760354 [0,1,0,1,0,0|2,0,0]=4 29035 B13R1.1110 C[C@H](OCCC1CCCC1)C(=O)[O-] 7a_217856618621_100000760354 [0,1,0,1,0,0|2,0,0]=4 29036 B13R1.1110 NC(=O)C(F)NCCC1CCCC1 2230a_100000739158_100009813875 [0,1,0,1,0,0|2,0,0]=4 29037 B13R1.1110 NC(=O)C(F)NCCC1CCCC1 34a_100000739158_100009813875 [0,1,0,1,0,0|2,0,0]=4 29038 B13R1.1110 NC(=O)C(F)OCCC1CCCC1 34a_100000749090_100009813875 [0,1,0,1,0,0|2,0,0]=4 29039 B13R1.1110 NC(=O)C(F)OCCC1CCCC1 7a_100000749090_100009813875 [0,1,0,1,0,0|2,0,0]=4 29040 B13R1.1110 NC(=O)C(F)SCCC1CCCC1 62a_100000760354_100009813875 [0,1,0,1,0,0|2,0,0]=4 29041 B13R1.1110 NC(=O)C(F)SCCC1CCCC1 62a_100009813875_100000760354 [0,1,0,1,0,0|2,0,0]=4 29042 B13R1.1110 NC(=O)[C@@H](N)COCC1CCCC1 34a_100000729942_100000740388 [0,1,0,1,0,0|2,0,0]=4 29043 B13R1.1110 O=C(O)C(F)CNCC1CCCC1 269956a_100000084737_100000740388 [0,1,0,1,0,0|2,0,0]=4 29044 B13R1.1110 O=C([O-])C(F)NCCC1CCCC1 34a_100000739158_100020610796 [0,1,0,1,0,0|2,0,0]=4 29045 B13R1.1110 O=C([O-])C(F)OCCC1CCCC1 34a_100000749090_100020610796 [0,1,0,1,0,0|2,0,0]=4 29046 B13R1.1110 O=C([O-])C(F)SCCC1CCCC1 62a_100000760354_100020610796 [0,1,0,1,0,0|2,0,0]=4 29047 B13R1.1110 O=C([O-])C(F)SCCC1CCCC1 62a_100020610796_100000760354 [0,1,0,1,0,0|2,0,0]=4 29048 B13R1.1267 CCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210207 [0,1,0,1,0,0|2,0,0]=4 29049 B13R1.1889 CCCCCCN1CC(C1)C(=O)N 34a_100025753142_100000210314 [0,1,0,1,0,0|2,0,0]=4 29050 B13R1.1889 CCCCCNC1CN(C1)C(=O)C 2230a_100102955437_100000210326 [0,1,0,1,0,0|2,0,0]=4 29051 B13R1.1889 CCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210326 [0,1,0,1,0,0|2,0,0]=4 29052 B13R1.1920 CCCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210211 [0,1,0,1,0,0|2,0,0]=4 29053 B13R1.1920 CCCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210211 [0,1,0,1,0,0|2,0,0]=4 29054 B13R1.1920 CCCCN1CCCN(C(=O)C1)C 34a_100000709885_100000210210 [0,1,0,1,0,0|2,0,0]=4 29055 B13R1.1979 CCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210211 [0,1,0,1,0,0|2,0,0]=4 29056 B13R1.2801 CCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000749056 [0,1,0,1,0,0|2,0,0]=4 29057 B13R1.2801 CCC1CCCN1CC(=O)C(=O)C 269982a_100000754278_100011261029 [0,1,0,1,0,0|1,0,1]=4 29058 B13R1.2801 CCC1CCCN1CC(=O)C(=O)C 34a_100000754278_100011261029 [0,1,0,1,0,0|1,0,1]=4 29059 B13R1.2840 CC(=O)C(C)COCCCC1CO1 34a_100000032740_100000733510 [0,1,0,1,0,0|2,0,0]=4 29060 B13R1.2840 CC(=O)C(C)COCCCC1CO1 7a_100000032740_100000733510 [0,1,0,1,0,0|2,0,0]=4 29061 B13R1.6161 CC(=O)C(C)N1CCCCCCC1 2230a_100000211400_100009814033 [0,1,0,1,0,0|1,0,0]=3 29062 B13R1.6161 CC(=O)C(C)N1CCCCCCC1 269982a_100000211400_100009814033 [0,1,0,1,0,0|1,0,0]=3 29063 B13R1.6161 CC(C(=O)N)N1CCCCCCC1 2230a_100000211400_100000702099 [0,1,0,1,0,0|2,0,0]=4 29064 B13R1.6161 CC(C(=O)N)N1CCCCCCC1 269982a_100000211400_100000184083 [0,1,0,1,0,0|2,0,0]=4 29065 B13R1.6161 CC(C(=O)N)N1CCCCCCC1 34a_100000211400_100000702099 [0,1,0,1,0,0|2,0,0]=4 29066 B13R1.6161 NC(=O)C(F)N1CCCCCCC1 2230a_100000211400_100009813875 [0,1,0,1,0,0|2,0,0]=4 29067 B13R1.6161 NC(=O)C(F)N1CCCCCCC1 269982a_100000211400_100009813875 [0,1,0,1,0,0|2,0,0]=4 29068 B13R1.6161 NC(=O)C(F)N1CCCCCCC1 34a_100000211400_100009813875 [0,1,0,1,0,0|2,0,0]=4 29069 B13R1.6161 O=C([O-])C(F)N1CCCCCCC1 34a_100000211400_100020610796 [0,1,0,1,0,0|2,0,0]=4 29070 B13R1.6192 C=C(C)C(=O)CC1CCCCCC1 1458a_100000185857_200000696569 [0,1,0,1,0,0|1,0,1]=4 29071 B13R1.6192 C=C(C)C(C)NC1CCCCCC1 269862a_100000210984_100011216138 [0,1,0,1,0,0|2,0,0]=4 29072 B13R1.6192 CC(=O)C(=O)CN1CCCCCC1 269982a_100000185865_100011261029 [0,1,0,1,0,0|1,0,1]=4 29073 B13R1.6192 CC(=O)C(=O)CN1CCCCCC1 34a_100000185865_100011261029 [0,1,0,1,0,0|1,0,1]=4 29074 B13R1.6192 CC(=O)C(=O)NC1CCCCCC1 1458a_100011297277_200000210301 [0,1,0,1,0,0|1,0,1]=4 29075 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100009814033 [0,1,0,1,0,0|1,0,0]=3 29076 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 34a_100000212229_100011217769 [0,1,0,1,0,0|1,0,0]=3 29077 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000179758 [0,1,0,1,0,0|1,0,0]=3 29078 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100009814033_100011217769 [0,1,0,1,0,0|1,0,0]=3 29079 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100011217769_100009814033 [0,1,0,1,0,0|1,0,0]=3 29080 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 2230a_100000210984_100000702099 [0,1,0,1,0,0|2,0,0]=4 29081 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 34a_100000210984_100000702099 [0,1,0,1,0,0|2,0,0]=4 29082 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 34a_100000210887_100000702099 [0,1,0,1,0,0|2,0,0]=4 29083 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 7a_100000210887_100000702099 [0,1,0,1,0,0|2,0,0]=4 29084 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100000702099_100011217769 [0,1,0,1,0,0|2,0,0]=4 29085 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100011217769_100000702099 [0,1,0,1,0,0|2,0,0]=4 29086 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 270004a_100000119354_100000210131 [0,1,0,1,0,0|2,0,0]=4 29087 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 34a_100000119354_100011217769 [0,1,0,1,0,0|2,0,0]=4 29088 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)N 34a_100000731257_100011217769 [0,1,0,1,0,0|2,0,0]=4 29089 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O 269956a_100000743915_100011217769 [0,1,0,1,0,0|2,0,0]=4 29090 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 2230a_100000210984_100009813875 [0,1,0,1,0,0|2,0,0]=4 29091 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 34a_100000210984_100009813875 [0,1,0,1,0,0|2,0,0]=4 29092 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 34a_100000210887_100009813875 [0,1,0,1,0,0|2,0,0]=4 29093 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 7a_100000210887_100009813875 [0,1,0,1,0,0|2,0,0]=4 29094 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100009813875_100011217769 [0,1,0,1,0,0|2,0,0]=4 29095 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100011217769_100009813875 [0,1,0,1,0,0|2,0,0]=4 29096 B13R1.6192 O=C([O-])C(F)NC1CCCCCC1 34a_100000210984_100020610796 [0,1,0,1,0,0|2,0,0]=4 29097 B13R1.6192 O=C([O-])C(F)OC1CCCCCC1 34a_100000210887_100020610796 [0,1,0,1,0,0|2,0,0]=4 29098 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100011217769_100020610796 [0,1,0,1,0,0|2,0,0]=4 29099 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100020610796_100011217769 [0,1,0,1,0,0|2,0,0]=4 29100 B13R1.6192 [13CH3]C(=O)C(=O)NC1CCCCCC1 1458a_100011297277_200025704644 [0,1,0,1,0,0|1,0,1]=4 29101 B13R1.45 C=C(C)CCC(=O)C1CCCCC1 1458a_100000210647_100000730704 [0,1,0,1,0,0|1,0,1]=4 29102 B13R1.45 C=C(C)CCC(=O)C1CCCCC1 1458a_200000688413_100000210327 [0,1,0,1,0,0|1,0,1]=4 29103 B13R1.45 C=C(C)CCN(C)C1CCCCC1 2230a_100000207522_100000730704 [0,1,0,1,0,0|2,0,0]=4 29104 B13R1.45 C=C(C)CCN(C)C1CCCCC1 269982a_100000207522_100000730704 [0,1,0,1,0,0|2,0,0]=4 29105 B13R1.45 C=C(C)CCN(C)C1CCCCC1 34a_100000207522_100000730704 [0,1,0,1,0,0|2,0,0]=4 29106 B13R1.45 C=C(C)CN[C@H](C)C1CCCCC1 2230a_100025707633_100000748629 [0,1,0,1,0,0|2,0,0]=4 29107 B13R1.45 C=C(C)CN[C@H](C)C1CCCCC1 34a_100025707633_100000748629 [0,1,0,1,0,0|2,0,0]=4 29108 B13R1.45 C=C(C)COC(C)C1CCCCC1 34a_100011216961_100000748629 [0,1,0,1,0,0|2,0,0]=4 29109 B13R1.45 C=C(C)COC(C)C1CCCCC1 7a_100011216961_100000748629 [0,1,0,1,0,0|2,0,0]=4 29110 B13R1.45 CC(=O)CCC(=O)N1CCCCC1 1458a_100000070787_100102558178 [0,1,0,1,0,0|1,0,1]=4 29111 B13R1.45 CC(=O)CCC(=O)N1CCCCC1 1458a_200000243808_200000210301 [0,1,0,1,0,0|1,0,1]=4 29112 B13R1.45 CC(=O)CCC(C)N1CCCCC1 1458a_100015185227_200000210301 [0,1,0,1,0,0|1,0,0]=3 29113 B13R1.45 CC(=O)CCC(C)N1CCOCC1 1458a_100015183851_200000210301 [0,1,0,1,0,0|2,0,0]=4 29114 B13R1.45 CC(=O)CCN(C)C1CCCCC1 269982a_100000207522_100000053229 [0,1,0,1,0,0|1,0,0]=3 29115 B13R1.45 CC(=O)CCN(C)C1CCOCC1 269982a_100020587155_100000053229 [0,1,0,1,0,0|2,0,0]=4 29116 B13R1.45 CC(=O)CCN(C)C1CCSCC1 269982a_100015184757_100000053229 [0,1,0,1,0,0|2,0,0]=4 29117 B13R1.45 CC(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200000210301 [0,1,0,1,0,0|1,0,1]=4 29118 B13R1.45 CC(=O)COC(=O)C1CCCCC1 1458a_100000070787_100009893799 [0,1,0,1,0,0|1,0,1]=4 29119 B13R1.45 CC(=O)NCC(=O)C1CCCCC1 1458a_100000194580_100000210327 [0,1,0,1,0,0|1,0,1]=4 29120 B13R1.45 CC(=O)OCC(=O)C1CCCCC1 1458a_100000183556_100000210327 [0,1,0,1,0,0|1,0,1]=4 29121 B13R1.45 CC(=O)OCN(C)C1CCCCC1 269982a_100000207522_100000076356 [0,1,0,1,0,0|2,0,0]=4 29122 B13R1.45 CC(=O)OCN(C)C1CCCCC1 34a_100000207522_100009813279 [0,1,0,1,0,0|2,0,0]=4 29123 B13R1.45 CC(=O)SCC(=O)C1CCCCC1 1458a_100000049016_100000210327 [0,1,0,1,0,0|1,0,1]=4 29124 B13R1.45 CC(CCC(=O)[13CH3])N1CCCCC1 1458a_100015185227_200025704644 [0,1,0,1,0,0|1,0,0]=3 29125 B13R1.45 CC(CCC(=O)[13CH3])N1CCOCC1 1458a_100015183851_200025704644 [0,1,0,1,0,0|2,0,0]=4 29126 B13R1.45 CC(OCC(=O)N)C1CCCCC1 34a_100011216961_100000187820 [0,1,0,1,0,0|2,0,0]=4 29127 B13R1.45 CC(OCC(=O)N)C1CCCCC1 7a_100011216961_100000187820 [0,1,0,1,0,0|2,0,0]=4 29128 B13R1.45 CC(OCC(=O)[O-])C1CCCCC1 34a_100011216961_100020667443 [0,1,0,1,0,0|2,0,0]=4 29129 B13R1.45 CN(CCC(=O)N)C1CCCCC1 2230a_100000207522_100000744528 [0,1,0,1,0,0|2,0,0]=4 29130 B13R1.45 CN(CCC(=O)N)C1CCCCC1 269982a_100000207522_100000744528 [0,1,0,1,0,0|2,0,0]=4 29131 B13R1.45 CN(CCC(=O)N)C1CCCCC1 270004a_100000730477_100000210434 [0,1,0,1,0,0|2,0,0]=4 29132 B13R1.45 CN(CCC(=O)N)C1CCCCC1 34a_100000207522_100000731001 [0,1,0,1,0,0|2,0,0]=4 29133 B13R1.45 C[C@@H](NCC(=O)N)C1CCCCC1 2230a_100025707633_100000747473 [0,1,0,1,0,0|2,0,0]=4 29134 B13R1.45 C[C@@H](NCC(=O)N)C1CCCCC1 34a_100025707633_100000187820 [0,1,0,1,0,0|2,0,0]=4 29135 B13R1.45 C[C@@H](NCC(=O)[O-])C1CCCCC1 34a_100025707633_100020667443 [0,1,0,1,0,0|2,0,0]=4 29136 B13R1.45 NC(=O)CCC(=O)C1CCCCC1 1458a_100011215257_100000210327 [0,1,0,1,0,0|1,0,1]=4 29137 B13R1.45 [13CH3]C(=O)CCC(=O)N1CCCCC1 1458a_200000243808_200025704644 [0,1,0,1,0,0|1,0,1]=4 29138 B13R1.45 [13CH3]C(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200025704644 [0,1,0,1,0,0|1,0,1]=4 29139 B13R1.141 CCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210207 [0,1,0,1,0,0|2,0,0]=4 29140 B13R1.168 C=C(C)CCC(=O)C1CCCC1C 1458a_100000690547_100000730704 [0,1,0,1,0,0|1,0,1]=4 29141 B13R1.168 C=C(C)CCC(C)N1CCC[C@@H]1C 270004a_100020605311_100011215600 [0,1,0,1,0,0|2,0,0]=4 29142 B13R1.168 C=C(C)CCC(C)N1CCC[C@H]1C 270004a_100015189458_100011215600 [0,1,0,1,0,0|2,0,0]=4 29143 B13R1.168 CC(=O)OCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000000629 [0,1,0,1,0,0|2,0,0]=4 29144 B13R1.168 CC(=O)OCC(C)N1CCC[C@H]1C 270004a_100015189458_100000000629 [0,1,0,1,0,0|2,0,0]=4 29145 B13R1.240 CC(=O)CCN1CCC(C1)CCO 269982a_100016987287_100000053229 [0,1,0,1,0,0|2,0,0]=4 29146 B13R1.240 CCCN1CCC(C1)CNC(=O)C 11a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 29147 B13R1.240 CCCN1CCC(C1)CNC(=O)C 1626a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 29148 B13R1.240 CCCN1CCC(C1)CNC(=O)C 240690a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 29149 B13R1.240 CCCN1CCC(C1)CNC(=O)C 527a_100011224067_100103153847 [0,1,0,1,0,0|2,0,0]=4 29150 B13R1.240 CCCN1CCC(C1)COC(=O)C 2230a_100000118262_100000210303 [0,1,0,1,0,0|2,0,0]=4 29151 B13R1.240 CCCN1CCC(C1)COC(=O)C 269982a_100000118262_100000210303 [0,1,0,1,0,0|2,0,0]=4 29152 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)C 269982a_100011787710_100000053229 [0,1,0,1,0,0|2,0,0]=4 29153 B13R1.240 COCC1CCN(C1)CCC(=O)C 269982a_100025706693_100000053229 [0,1,0,1,0,0|2,0,0]=4 29154 B13R1.277 CC(=O)OCC(O)CN1CCC1C 269982a_100000755817_200000139349 [0,1,0,1,0,0|2,0,0]=4 29155 B13R1.277 CC(=O)OCC(O)CN1CCC1C 34a_100000755817_200000139349 [0,1,0,1,0,0|2,0,0]=4 29156 B13R1.277 CC(=O)SCC(C)CN1CCC1C 269982a_100000755817_200000116872 [0,1,0,1,0,0|2,0,0]=4 29157 B13R1.277 CC(=O)SCC(C)CN1CCC1C 34a_100000755817_200000116872 [0,1,0,1,0,0|2,0,0]=4 29158 B13R1.344 C=C(C)CCC(=O)CC1CCCC1 1458a_100000210891_100000730704 [0,1,0,1,0,0|1,0,1]=4 29159 B13R1.344 C=C(C)CCC(=O)CC1CCCC1 1458a_200000688413_100000740388 [0,1,0,1,0,0|1,0,1]=4 29160 B13R1.344 C=C(C)CCC(C)NC1CCCC1 270004a_100000211070_100011215600 [0,1,0,1,0,0|2,0,0]=4 29161 B13R1.344 CC(=O)CCC(=O)NC1CCCC1 1458a_100000070787_100000743710 [0,1,0,1,0,0|1,0,1]=4 29162 B13R1.344 CC(=O)CCC(=O)NC1CCCC1 1458a_100000199707_200000210301 [0,1,0,1,0,0|1,0,1]=4 29163 B13R1.344 CC(=O)CCN(C)CC1CCCO1 269982a_100102946541_100000053229 [0,1,0,1,0,0|2,0,0]=4 29164 B13R1.344 CC(=O)CCN(C)CC1CCOC1 269982a_100000684583_100000053229 [0,1,0,1,0,0|2,0,0]=4 29165 B13R1.344 CC(=O)NCC(=O)CC1CCCC1 1458a_100000194580_100000740388 [0,1,0,1,0,0|1,0,1]=4 29166 B13R1.344 CC(=O)NCC(C)CN1CCCC1 1626a_100000741878_100015343762 [0,1,0,1,0,0|2,0,0]=4 29167 B13R1.344 CC(=O)NCC(C)CN1CCCC1 240690a_100000741878_100015343762 [0,1,0,1,0,0|2,0,0]=4 29168 B13R1.344 CC(=O)NCC(C)CN1CCCC1 527a_100000741878_100103153847 [0,1,0,1,0,0|2,0,0]=4 29169 B13R1.344 CC(=O)NCC(O)CN1CCCC1 240690a_100000741758_100015343762 [0,1,0,1,0,0|2,0,0]=4 29170 B13R1.344 CC(=O)OCC(=O)CC1CCCC1 1458a_100000183556_100000740388 [0,1,0,1,0,0|1,0,1]=4 29171 B13R1.344 CC(=O)OCC(C)NC1CCCC1 270004a_100000211070_100000000629 [0,1,0,1,0,0|2,0,0]=4 29172 B13R1.344 CC(=O)OCC(O)CN1CCCC1 269982a_100000188435_200000139349 [0,1,0,1,0,0|2,0,0]=4 29173 B13R1.344 CC(=O)SCC(=O)CC1CCCC1 1458a_100000049016_100000740388 [0,1,0,1,0,0|1,0,1]=4 29174 B13R1.344 CC(=O)SCC(C)CN1CCCC1 2230a_100000188435_200000116872 [0,1,0,1,0,0|2,0,0]=4 29175 B13R1.344 CC(=O)SCC(C)CN1CCCC1 269982a_100000188435_200000116872 [0,1,0,1,0,0|2,0,0]=4 29176 B13R1.344 CN(CCC(=O)N)CC1CCCC1 2230a_100000730477_100000740388 [0,1,0,1,0,0|2,0,0]=4 29177 B13R1.344 NC(=O)CCC(=O)CC1CCCC1 1458a_100011215257_100000740388 [0,1,0,1,0,0|1,0,1]=4 29178 B13R1.344 [13CH3]C(=O)CCC(=O)NC1CCCC1 1458a_100000199707_200025704644 [0,1,0,1,0,0|1,0,1]=4 29179 B13R1.564 CCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210211 [0,1,0,1,0,0|2,0,0]=4 29180 B13R1.564 CCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210211 [0,1,0,1,0,0|2,0,0]=4 29181 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210211 [0,1,0,1,0,0|2,0,0]=4 29182 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210211 [0,1,0,1,0,0|2,0,0]=4 29183 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210210 [0,1,0,1,0,0|2,0,0]=4 29184 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210211 [0,1,0,1,0,0|2,0,0]=4 29185 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210211 [0,1,0,1,0,0|2,0,0]=4 29186 B13R1.1054 C=C(C)CCC(C)NCC1CCC1 270004a_100000738700_100011215600 [0,1,0,1,0,0|2,0,0]=4 29187 B13R1.1054 CC(=O)OCC(C)NCC1CCC1 270004a_100000738700_100000000629 [0,1,0,1,0,0|2,0,0]=4 29188 B13R1.1054 CC(=O)OCC(O)CNC1CCC1 34a_100000749019_200000139349 [0,1,0,1,0,0|2,0,0]=4 29189 B13R1.1054 CC(=O)OCC(O)COC1CCC1 34a_100000748187_200000139349 [0,1,0,1,0,0|2,0,0]=4 29190 B13R1.1054 CC(=O)OCC(O)CSC1CCC1 62a_200000139349_100000749161 [0,1,0,1,0,0|2,0,0]=4 29191 B13R1.1054 CC(=O)SCC(C)CNC1CCC1 2230a_100000749019_200000116872 [0,1,0,1,0,0|2,0,0]=4 29192 B13R1.1054 CC(=O)SCC(C)CNC1CCC1 34a_100000749019_200000116872 [0,1,0,1,0,0|2,0,0]=4 29193 B13R1.1054 CC(=O)SCC(C)COC1CCC1 34a_100000748187_200000116872 [0,1,0,1,0,0|2,0,0]=4 29194 B13R1.1054 CC(=O)SCC(C)CSC1CCC1 62a_200000116872_100000749161 [0,1,0,1,0,0|2,0,0]=4 29195 B13R1.1055 C=C(C)CCC(C)NCCC1CC1 270004a_100000764129_100011215600 [0,1,0,1,0,0|2,0,0]=4 29196 B13R1.1055 CC(=O)OCC(C)NCCC1CC1 270004a_100000764129_100000000629 [0,1,0,1,0,0|2,0,0]=4 29197 B13R1.1055 CC(=O)OCC(O)CNCC1CC1 34a_100000735609_200000139349 [0,1,0,1,0,0|2,0,0]=4 29198 B13R1.1055 CC(=O)OCC(O)COCC1CC1 34a_100000211283_200000139349 [0,1,0,1,0,0|2,0,0]=4 29199 B13R1.1055 CC(=O)OCC(O)CSCC1CC1 62a_100000756562_200000139349 [0,1,0,1,0,0|2,0,0]=4 29200 B13R1.1055 CC(=O)OCC(O)CSCC1CC1 62a_200000139349_100000742324 [0,1,0,1,0,0|2,0,0]=4 29201 B13R1.1055 CC(=O)SCC(C)CNCC1CC1 2230a_100000735609_200000116872 [0,1,0,1,0,0|2,0,0]=4 29202 B13R1.1055 CC(=O)SCC(C)CNCC1CC1 34a_100000735609_200000116872 [0,1,0,1,0,0|2,0,0]=4 29203 B13R1.1055 CC(=O)SCC(C)COCC1CC1 34a_100000211283_200000116872 [0,1,0,1,0,0|2,0,0]=4 29204 B13R1.1055 CC(=O)SCC(C)CSCC1CC1 62a_100000756562_200000116872 [0,1,0,1,0,0|2,0,0]=4 29205 B13R1.1055 CC(=O)SCC(C)CSCC1CC1 62a_200000116872_100000742324 [0,1,0,1,0,0|2,0,0]=4 29206 B13R1.2919 C=C1CC(C1)C(=O)CCCCCC 1458a_100000065620_100000210757 [0,1,0,1,0,0|1,0,1]=4 29207 B13R1.2919 CCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210757 [0,1,0,1,0,0|1,0,1]=4 29208 B13R1.2919 CCCCCCN(C)C1CC(=O)C1 269982a_106256046315_100009894365 [0,1,0,1,0,0|1,0,0]=3 29209 B13R1.2919 CN(CCCCCO)C1CC(=O)C1 269982a_100000722520_100009894365 [0,1,0,1,0,0|2,0,0]=4 29210 B13R1.8682 C=C(C)CNC1(CCCCCC1)C 2230a_100000704638_100000748629 [0,1,0,1,0,0|2,0,0]=4 29211 B13R1.8682 C=C(C)CNC1(CCCCCC1)C 34a_100000704638_100000748629 [0,1,0,1,0,0|2,0,0]=4 29212 B13R1.8682 C=C(C)COC1(CCCCCC1)C 34a_100000708895_100000748629 [0,1,0,1,0,0|2,0,0]=4 29213 B13R1.8682 C=C(C)COC1(CCCCCC1)C 7a_100000708895_100000748629 [0,1,0,1,0,0|2,0,0]=4 29214 B13R1.8682 CC1(CCCCCC1)NCC(=O)N 2230a_100000704638_100000747473 [0,1,0,1,0,0|2,0,0]=4 29215 B13R1.8682 CC1(CCCCCC1)NCC(=O)N 34a_100000704638_100000187820 [0,1,0,1,0,0|2,0,0]=4 29216 B13R1.8682 CC1(CCCCCC1)NCC(=O)[O-] 34a_100000704638_100020667443 [0,1,0,1,0,0|2,0,0]=4 29217 B13R1.8682 CC1(CCCCCC1)OCC(=O)N 34a_100000708895_100000187820 [0,1,0,1,0,0|2,0,0]=4 29218 B13R1.8682 CC1(CCCCCC1)OCC(=O)N 7a_100000708895_100000187820 [0,1,0,1,0,0|2,0,0]=4 29219 B13R1.8682 CC1(CCCCCC1)OCC(=O)[O-] 34a_100000708895_100020667443 [0,1,0,1,0,0|2,0,0]=4 29220 B13R1.292 C=C1CC(C1)CNCCCC(=O)C 34a_100102567296_100000685027 [0,1,0,1,0,0|1,0,1]=4 29221 B13R1.292 C=C1CC(C1)CNCCCC(C)C 2230a_100102567296_100011214892 [0,1,0,1,0,0|2,0,0]=4 29222 B13R1.292 C=C1CC(C1)CNCCCC(C)C 34a_100102567296_100011214892 [0,1,0,1,0,0|2,0,0]=4 29223 B13R1.292 C=C1CC(C1)CNCCCC(C)O 2230a_100102567296_200000718107 [0,1,0,1,0,0|2,0,0]=4 29224 B13R1.292 C=C1CC(C1)CNCCCC(C)O 34a_100102567296_200000718107 [0,1,0,1,0,0|2,0,0]=4 29225 B13R1.292 C=C1CC(C1)COCCCC(=O)C 34a_100011011225_100000685027 [0,1,0,1,0,0|1,0,1]=4 29226 B13R1.292 C=C1CC(C1)COCCCC(C)C 34a_100011011225_100011214892 [0,1,0,1,0,0|2,0,0]=4 29227 B13R1.292 C=C1CC(C1)COCCCC(C)O 34a_100011011225_200000718107 [0,1,0,1,0,0|2,0,0]=4 29228 B13R1.292 C=C1CC(C1)NCCCCC(C)C 2230a_100132301982_100011216152 [0,1,0,1,0,0|2,0,0]=4 29229 B13R1.292 CC(=O)CCCCSC1CC(=O)C1 62a_100009894365_100000735457 [0,1,0,1,0,0|1,0,1]=4 29230 B13R1.292 CC(=O)CCCOCC1CC(=O)C1 34a_100000101936_100000685027 [0,1,0,1,0,0|1,0,1]=4 29231 B13R1.292 CC(=O)CCCOCC1CC(=O)C1 7a_100000759063_100009874392 [0,1,0,1,0,0|1,0,1]=4 29232 B13R1.292 CC(=O)CCCOCC1CC(C1)Cl 34a_100009874164_100000685027 [0,1,0,1,0,0|1,0,0]=3 29233 B13R1.292 CC(=O)CCCSCC1CC(=O)C1 62a_100009874392_100011215641 [0,1,0,1,0,0|1,0,1]=4 29234 B13R1.292 CC(=O)CCCSCC1CC(=O)C1 62a_100011215641_100009874392 [0,1,0,1,0,0|1,0,1]=4 29235 B13R1.292 CC(=O)NCCNCC1CC(C1)O 2230a_100016992100_100000189650 [0,1,0,1,0,0|2,0,0]=4 29236 B13R1.292 CC(=O)OCCCCN1CC(C1)C 269982a_100000702820_100000033659 [0,1,0,1,0,0|2,0,0]=4 29237 B13R1.292 CC(=O)OCCCCN1CC(C1)C 34a_100000702820_100000033659 [0,1,0,1,0,0|2,0,0]=4 29238 B13R1.292 CC(=O)OCCCCN1CC(C1)F 269982a_100000690557_100000033659 [0,1,0,1,0,0|2,0,0]=4 29239 B13R1.292 CC(=O)OCCCCN1CC(C1)F 34a_100000690557_100000033659 [0,1,0,1,0,0|2,0,0]=4 29240 B13R1.292 CC(=O)OCCCCN1CC(C1)O 269982a_100000749847_100000033659 [0,1,0,1,0,0|2,0,0]=4 29241 B13R1.292 CC(=O)OCCOCC1CC(C1)Cl 34a_100009874164_100009814007 [0,1,0,1,0,0|2,0,0]=4 29242 B13R1.292 CC(=O)SCCCCN1CC(C1)C 2230a_100000702820_200010402107 [0,1,0,1,0,0|2,0,0]=4 29243 B13R1.292 CC(=O)SCCCCN1CC(C1)C 269982a_100000702820_200010402107 [0,1,0,1,0,0|2,0,0]=4 29244 B13R1.292 CC(=O)SCCCCN1CC(C1)C 34a_100000702820_200010402107 [0,1,0,1,0,0|2,0,0]=4 29245 B13R1.292 CC(=O)SCCCCN1CC(C1)F 2230a_100000690557_200010402107 [0,1,0,1,0,0|2,0,0]=4 29246 B13R1.292 CC(=O)SCCCCN1CC(C1)F 269982a_100000690557_200010402107 [0,1,0,1,0,0|2,0,0]=4 29247 B13R1.292 CC(=O)SCCCCN1CC(C1)F 34a_100000690557_200010402107 [0,1,0,1,0,0|2,0,0]=4 29248 B13R1.292 CC(=O)SCCCCN1CC(C1)O 269982a_100000749847_200010402107 [0,1,0,1,0,0|2,0,0]=4 29249 B13R1.292 CC(=O)SCCCNC1CC(C1)F 2230a_100016993743_100000038929 [0,1,0,1,0,0|2,0,0]=4 29250 B13R1.292 CC(=O)SCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000038929 [0,1,0,1,0,0|2,0,0]=4 29251 B13R1.292 CC(C)CCCCSC1CC(=O)C1 62a_100009894365_100011216152 [0,1,0,1,0,0|1,0,0]=3 29252 B13R1.292 CC(C)CCCNCC1CC(=O)C1 2230a_200000737386_100009874392 [0,1,0,1,0,0|1,0,0]=3 29253 B13R1.292 CC(C)CCCOCC1CC(=O)C1 34a_100000101936_100011214892 [0,1,0,1,0,0|1,0,0]=3 29254 B13R1.292 CC(C)CCCOCC1CC(=O)C1 7a_100000210774_100009874392 [0,1,0,1,0,0|1,0,0]=3 29255 B13R1.292 CC(C)CCCSCC1CC(=O)C1 62a_100009874392_100011214892 [0,1,0,1,0,0|1,0,0]=3 29256 B13R1.292 CC(C)CCCSCC1CC(=O)C1 62a_100011214892_100009874392 [0,1,0,1,0,0|1,0,0]=3 29257 B13R1.292 CC(C)OCCNCC1CC(=O)C1 2230a_100000701111_100009874392 [0,1,0,1,0,0|2,0,0]=4 29258 B13R1.292 CC(C)OCCOCC1CC(=O)C1 34a_100000101936_100000211751 [0,1,0,1,0,0|2,0,0]=4 29259 B13R1.292 CC(C)OCCOCC1CC(=O)C1 7a_100000211219_100009874392 [0,1,0,1,0,0|2,0,0]=4 29260 B13R1.292 CC(C)OCCSCC1CC(=O)C1 62a_100000211751_100009874392 [0,1,0,1,0,0|2,0,0]=4 29261 B13R1.292 CC(C)OCCSCC1CC(=O)C1 62a_100009874392_100000211751 [0,1,0,1,0,0|2,0,0]=4 29262 B13R1.292 CC(C)SCCNCC1CC(=O)C1 2230a_100000731138_100009874392 [0,1,0,1,0,0|2,0,0]=4 29263 B13R1.292 CC(C)SCCOCC1CC(=O)C1 34a_100000101936_100000730970 [0,1,0,1,0,0|2,0,0]=4 29264 B13R1.292 CC(C)SCCOCC1CC(=O)C1 7a_200011212901_100009874392 [0,1,0,1,0,0|2,0,0]=4 29265 B13R1.292 CC(C)SCCSCC1CC(=O)C1 62a_100000730970_100009874392 [0,1,0,1,0,0|2,0,0]=4 29266 B13R1.292 CC(C)SCCSCC1CC(=O)C1 62a_100009874392_100000730970 [0,1,0,1,0,0|2,0,0]=4 29267 B13R1.292 CC(O)CCCOCC1CC(=O)C1 34a_100000101936_200000718107 [0,1,0,1,0,0|1,0,0]=3 29268 B13R1.292 CC(O)CCCSCC1CC(=O)C1 62a_100009874392_200000718107 [0,1,0,1,0,0|1,0,0]=3 29269 B13R1.292 CC(O)CCCSCC1CC(=O)C1 62a_200000718107_100009874392 [0,1,0,1,0,0|1,0,0]=3 29270 B13R1.292 CC1CN(C1)CCCCCC(=O)N 2230a_100000702820_100009817443 [0,1,0,1,0,0|2,0,0]=4 29271 B13R1.292 CC1CN(C1)CCCCCC(=O)N 269982a_100000702820_100009817443 [0,1,0,1,0,0|2,0,0]=4 29272 B13R1.292 CC1CN(C1)CCCCCC(=O)N 34a_100000702820_100009817443 [0,1,0,1,0,0|2,0,0]=4 29273 B13R1.292 CN(C)CCCCSC1CC(=O)C1 62a_100009894365_100000690147 [0,1,0,1,0,0|2,0,0]=4 29274 B13R1.292 CN(C)CCCSCC1CC(=O)C1 62a_100009874392_100000757444 [0,1,0,1,0,0|2,0,0]=4 29275 B13R1.292 CS(=O)CCCNCC1CC(=O)C1 2230a_200000753449_100009874392 [0,1,0,1,0,0|2,0,0]=4 29276 B13R1.292 NC(=O)CCCCCN1CC(C1)F 2230a_100000690557_100009817443 [0,1,0,1,0,0|2,0,0]=4 29277 B13R1.292 NC(=O)CCCCCN1CC(C1)F 269982a_100000690557_100009817443 [0,1,0,1,0,0|2,0,0]=4 29278 B13R1.292 NC(=O)CCCCCN1CC(C1)F 34a_100000690557_100009817443 [0,1,0,1,0,0|2,0,0]=4 29279 B13R1.292 NC(=O)CCCCCN1CC(C1)O 269982a_100000749847_100009817443 [0,1,0,1,0,0|2,0,0]=4 29280 B13R1.292 NC(=O)CCCOCC1CC(C1)Cl 34a_100009874164_100102525003 [0,1,0,1,0,0|2,0,0]=4 29281 B13R1.589 C=C(C)CN1CCCCC1C(C)C 2230a_100000757267_100000748629 [0,1,0,1,0,0|2,0,0]=4 29282 B13R1.589 C=C(C)CN1CCCCC1C(C)C 269982a_100000757267_100000748629 [0,1,0,1,0,0|2,0,0]=4 29283 B13R1.589 C=C(C)CN1CCCCC1C(C)C 34a_100000757267_100000748629 [0,1,0,1,0,0|2,0,0]=4 29284 B13R1.589 CC(=O)N1CCCCC1CN(C)C 11a_100000746231_100015343762 [0,1,0,1,0,0|2,0,0]=4 29285 B13R1.589 CC(=O)N1CCCCC1CN(C)C 240690a_100000746231_100015343762 [0,1,0,1,0,0|2,0,0]=4 29286 B13R1.589 CC(=O)N1CCCCC1CN(C)C 527a_100000746231_100103153847 [0,1,0,1,0,0|2,0,0]=4 29287 B13R1.589 CC(=O)N1CCOCC1CC(C)C 11a_100000755734_100015343762 [0,1,0,1,0,0|2,0,0]=4 29288 B13R1.589 CC(=O)N1CCOCC1CC(C)C 1626a_100000755734_100015343762 [0,1,0,1,0,0|2,0,0]=4 29289 B13R1.589 CC(=O)N1CCOCC1CC(C)C 240690a_100000755734_100015343762 [0,1,0,1,0,0|2,0,0]=4 29290 B13R1.589 CC(=O)N1CCOCC1CC(C)C 527a_100000755734_100103153847 [0,1,0,1,0,0|2,0,0]=4 29291 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 29292 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 29293 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 29294 B13R1.589 CC(C)C1CCCCN1CC(=O)N 2230a_100000757267_100000747473 [0,1,0,1,0,0|2,0,0]=4 29295 B13R1.589 CC(C)C1CCCCN1CC(=O)N 269982a_100000757267_100000187820 [0,1,0,1,0,0|2,0,0]=4 29296 B13R1.589 CC(C)C1CCCCN1CC(=O)N 34a_100000757267_100000187820 [0,1,0,1,0,0|2,0,0]=4 29297 B13R1.589 CC(C)C1CCCCN1CC(=O)[O-] 269982a_100000757267_100020667443 [0,1,0,1,0,0|2,0,0]=4 29298 B13R1.589 CC(C)C1CCCCN1CC(=O)[O-] 34a_100000757267_100020667443 [0,1,0,1,0,0|2,0,0]=4 29299 B13R1.589 CC(C)CN1CCCCC1C(=O)N 2230a_100000181395_100000210760 [0,1,0,1,0,0|2,0,0]=4 29300 B13R1.589 CC(C)CN1CCCCC1C(=O)N 269982a_100000181395_100000210624 [0,1,0,1,0,0|2,0,0]=4 29301 B13R1.589 CC(C)CN1CCCCC1C(=O)N 270004a_100000181395_100000210432 [0,1,0,1,0,0|2,0,0]=4 29302 B13R1.589 CC(C)CN1CCCCC1C(=O)N 34a_100000181395_100000210624 [0,1,0,1,0,0|2,0,0]=4 29303 B13R1.589 CC(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210760 [0,1,0,1,0,0|2,0,0]=4 29304 B13R1.589 CC(C)N1CCCCC1CC(=O)N 2230a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 29305 B13R1.589 CC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 29306 B13R1.589 CC(C)N1CCCCC1CC(=O)N 34a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 29307 B13R1.589 CC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210206 [0,1,0,1,0,0|2,0,0]=4 29308 B13R1.589 CC(O)CN1CCCCC1C(=O)N 2230a_100000181395_100011218427 [0,1,0,1,0,0|2,0,0]=4 29309 B13R1.589 CC(O)CN1CCCCC1C(=O)N 269982a_100000181395_100011218427 [0,1,0,1,0,0|2,0,0]=4 29310 B13R1.589 CC(O)CN1CCCCC1C(=O)N 34a_100000181395_100011218427 [0,1,0,1,0,0|2,0,0]=4 29311 B13R1.589 CC(O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218427 [0,1,0,1,0,0|2,0,0]=4 29312 B13R1.589 C[C@@H](O)CN1CCCCC1C(=O)N 2230a_100000181395_100009817552 [0,1,0,1,0,0|2,0,0]=4 29313 B13R1.589 C[C@@H](O)CN1CCCCC1C(=O)N 269982a_100000181395_100009817552 [0,1,0,1,0,0|2,0,0]=4 29314 B13R1.589 C[C@@H](O)CN1CCCCC1C(=O)N 34a_100000181395_100009817552 [0,1,0,1,0,0|2,0,0]=4 29315 B13R1.589 C[C@@H](O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009817552 [0,1,0,1,0,0|2,0,0]=4 29316 B13R1.591 C=C(C)CN1CCCC1CC(C)C 2230a_100000748429_100000748629 [0,1,0,1,0,0|2,0,0]=4 29317 B13R1.591 C=C(C)CN1CCCC1CC(C)C 269982a_100000748429_100000748629 [0,1,0,1,0,0|2,0,0]=4 29318 B13R1.591 C=C(C)CN1CCCC1CC(C)C 34a_100000748429_100000748629 [0,1,0,1,0,0|2,0,0]=4 29319 B13R1.591 CC(C)CC1CCCN1CC(=O)N 2230a_100000748429_100000747473 [0,1,0,1,0,0|2,0,0]=4 29320 B13R1.591 CC(C)CC1CCCN1CC(=O)N 269982a_100000748429_100000187820 [0,1,0,1,0,0|2,0,0]=4 29321 B13R1.591 CC(C)CC1CCCN1CC(=O)N 34a_100000748429_100000187820 [0,1,0,1,0,0|2,0,0]=4 29322 B13R1.591 CC(C)CC1CCCN1CC(=O)[O-] 269982a_100000748429_100020667443 [0,1,0,1,0,0|2,0,0]=4 29323 B13R1.591 CC(C)CC1CCCN1CC(=O)[O-] 34a_100000748429_100020667443 [0,1,0,1,0,0|2,0,0]=4 29324 B13R1.1013 C=C(C)CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000730704 [0,1,0,1,0,0|2,0,0]=4 29325 B13R1.1013 C=C(C)CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000730704 [0,1,0,1,0,0|2,0,0]=4 29326 B13R1.1013 C=C(C)CCOC1CCCC1(C)C 34a_100000726220_100000730704 [0,1,0,1,0,0|2,0,0]=4 29327 B13R1.1013 C=C(C)CCOC1CCCC1(C)C 7a_100000726220_100000730704 [0,1,0,1,0,0|2,0,0]=4 29328 B13R1.1013 CC(=O)CCCN1CCCC1(C)C 269982a_100000761399_100011215641 [0,1,0,1,0,0|1,0,0]=3 29329 B13R1.1013 CC(=O)CCCN1CCCC1(C)C 34a_100000761399_100000685027 [0,1,0,1,0,0|1,0,0]=3 29330 B13R1.1013 CC(=O)CCCN1CCSC1(C)C 269982a_100011217261_100011215641 [0,1,0,1,0,0|2,0,0]=4 29331 B13R1.1013 CC(=O)CCCN1CCSC1(C)C 34a_100011217261_100000685027 [0,1,0,1,0,0|2,0,0]=4 29332 B13R1.1013 CC(=O)CCCN1COCC1(C)C 269982a_100000043020_100011215641 [0,1,0,1,0,0|2,0,0]=4 29333 B13R1.1013 CC(=O)CCOC1CCCC1(C)C 7a_100000726220_100000053229 [0,1,0,1,0,0|1,0,0]=3 29334 B13R1.1013 CC(=O)CCOC1CCCC1(F)F 34a_100000759926_100119073726 [0,1,0,1,0,0|2,0,0]=4 29335 B13R1.1013 CC(=O)CCSC1CCCC1(F)F 62a_100000053229_100119073726 [0,1,0,1,0,0|2,0,0]=4 29336 B13R1.1013 CC(=O)CCSC1CCCC1(F)F 62a_100119073726_100000053229 [0,1,0,1,0,0|2,0,0]=4 29337 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 1626a_100015204988_100015343762 [0,1,0,1,0,0|2,0,0]=4 29338 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 2230a_100000761399_100000189650 [0,1,0,1,0,0|2,0,0]=4 29339 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 240690a_100015204988_100015343762 [0,1,0,1,0,0|2,0,0]=4 29340 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 269982a_100000761399_100000189650 [0,1,0,1,0,0|2,0,0]=4 29341 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 527a_100015204988_100103153847 [0,1,0,1,0,0|2,0,0]=4 29342 B13R1.1013 CC(=O)OCCN1CCCC1(C)C 269982a_100000761399_100009814007 [0,1,0,1,0,0|2,0,0]=4 29343 B13R1.1013 CC(=O)OCCN1CCCC1(C)C 34a_100000761399_100009814007 [0,1,0,1,0,0|2,0,0]=4 29344 B13R1.1013 CC(=O)OCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100009813279 [0,1,0,1,0,0|2,0,0]=4 29345 B13R1.1013 CC(=O)OCOC1CCCC1(C)C 34a_100000726220_100009813279 [0,1,0,1,0,0|2,0,0]=4 29346 B13R1.1013 CC1(CCCC1NCCC(=O)N)C 269862a_100000740010_100000065263 [0,1,0,1,0,0|2,0,0]=4 29347 B13R1.1013 CC1(CCCC1OCCC(=O)N)C 34a_100000726220_100000731001 [0,1,0,1,0,0|2,0,0]=4 29348 B13R1.1013 CC1(CCCC1OCCC(=O)N)C 7a_100000726220_100000744528 [0,1,0,1,0,0|2,0,0]=4 29349 B13R1.1013 CC1(CCCN1CCCC(=O)N)C 269982a_100000761399_100102525003 [0,1,0,1,0,0|2,0,0]=4 29350 B13R1.1013 CC1(CCCN1CCCC(=O)N)C 34a_100000761399_100102525003 [0,1,0,1,0,0|2,0,0]=4 29351 B13R1.1013 C[C@]1(CCC[C@H]1NCCC(=O)N)O 2230a_100015977457_100000744528 [0,1,0,1,0,0|2,0,0]=4 29352 B13R1.1013 C[C@]1(CCC[C@H]1NCCC(=O)N)O 34a_100015977457_100000731001 [0,1,0,1,0,0|2,0,0]=4 29353 B13R1.1045 CC(=O)CCCCNC1CC1(F)F 34a_100020610826_100009817362 [0,1,0,1,0,0|2,0,0]=4 29354 B13R1.1045 CC(=O)CCCOCC1CC1(C)C 34a_100000728257_100000685027 [0,1,0,1,0,0|1,0,0]=3 29355 B13R1.1045 CC(=O)CCCOCC1CC1(C)C 7a_100000728257_100011215641 [0,1,0,1,0,0|1,0,0]=3 29356 B13R1.1045 CC(=O)CCCOCC1CC1(F)F 34a_100000056500_100000685027 [0,1,0,1,0,0|2,0,0]=4 29357 B13R1.1045 CC(=O)CCCOCC1CC1(F)F 34a_100000759063_100009817841 [0,1,0,1,0,0|2,0,0]=4 29358 B13R1.1045 CC(=O)CCCOCC1CC1(F)F 7a_100000056500_100011215641 [0,1,0,1,0,0|2,0,0]=4 29359 B13R1.1045 CC(=O)CCCOCC1CC1(F)F 7a_100000759063_100009817841 [0,1,0,1,0,0|2,0,0]=4 29360 B13R1.1045 CC(=O)CCCOCC1OC1(C)C 34a_200010283642_100000685027 [0,1,0,1,0,0|2,0,0]=4 29361 B13R1.1045 CC(=O)CCCOCC1OC1(C)C 7a_200010283642_100011215641 [0,1,0,1,0,0|2,0,0]=4 29362 B13R1.1045 CC(=O)CCCSCC1CC1(F)F 62a_100009817841_100011215641 [0,1,0,1,0,0|2,0,0]=4 29363 B13R1.1045 CC(=O)CCCSCC1CC1(F)F 62a_100011215641_100009817841 [0,1,0,1,0,0|2,0,0]=4 29364 B13R1.1045 CC(=O)CCOCCC1CC1(F)F 7a_100009864177_100000053229 [0,1,0,1,0,0|2,0,0]=4 29365 B13R1.1045 CC(=O)NCCOCC1CC1(C)C 7a_100000728257_100000189650 [0,1,0,1,0,0|2,0,0]=4 29366 B13R1.1045 CC(=O)OCCOCC1CC1(C)C 34a_100000728257_100009814007 [0,1,0,1,0,0|2,0,0]=4 29367 B13R1.1045 CC(=O)OCCOCC1CC1(C)C 7a_100000728257_100009814007 [0,1,0,1,0,0|2,0,0]=4 29368 B13R1.1045 CC1(CC1COCCCC(=O)N)C 34a_100000728257_100102525003 [0,1,0,1,0,0|2,0,0]=4 29369 B13R1.1045 CC1(CC1COCCCC(=O)N)C 7a_100000728257_100102525003 [0,1,0,1,0,0|2,0,0]=4 29370 B13R1.1065 CC(C)CCCN1CCC1C(=O)O 269956a_100000021838_100011214892 [0,1,0,1,0,0|2,0,0]=4 29371 B13R1.1065 CC(O)CCCN1CCC1C(=O)O 269956a_100000021838_200000718107 [0,1,0,1,0,0|2,0,0]=4 29372 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 11a_100000697956_100015343762 [0,1,0,1,0,0|1,0,0]=3 29373 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 1626a_100000697956_100015343762 [0,1,0,1,0,0|1,0,0]=3 29374 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 240690a_100000697956_100015343762 [0,1,0,1,0,0|1,0,0]=3 29375 B13R1.1082 CC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100000210206 [0,1,0,1,0,0|2,0,0]=4 29376 B13R1.3575 CC(=O)CCN1CCOCC1(C)C 269982a_100000724681_100000053229 [0,1,0,1,0,0|2,0,0]=4 29377 B13R1.3575 CC(=O)COC1CCCCC1(F)F 34a_100000211253_200009832135 [0,1,0,1,0,0|2,0,0]=4 29378 B13R1.3576 C=C(C)CCN1CCCC1C(C)C 2230a_100000762757_100000730704 [0,1,0,1,0,0|2,0,0]=4 29379 B13R1.3576 C=C(C)CCN1CCCC1C(C)C 269982a_100000762757_100000730704 [0,1,0,1,0,0|2,0,0]=4 29380 B13R1.3576 C=C(C)CCN1CCCC1C(C)C 34a_100000762757_100000730704 [0,1,0,1,0,0|2,0,0]=4 29381 B13R1.3576 CC(=O)CCN1CCCC1C(C)C 269982a_100000762757_100000053229 [0,1,0,1,0,0|1,0,0]=3 29382 B13R1.3576 CC(=O)N1CCC[C@@H]1COC(C)C 34a_100012242843_100000210206 [0,1,0,1,0,0|2,0,0]=4 29383 B13R1.3576 CC(=O)N1CCC[C@@H]1COC(C)C 7a_100012242843_100000210206 [0,1,0,1,0,0|2,0,0]=4 29384 B13R1.3576 CC(=O)OCN1CCCC1C(C)C 269982a_100000762757_100000076356 [0,1,0,1,0,0|2,0,0]=4 29385 B13R1.3576 CC(=O)OCN1CCCC1C(C)C 34a_100000762757_100009813279 [0,1,0,1,0,0|2,0,0]=4 29386 B13R1.3576 CC(C)C1CCCN1CCC(=O)N 2230a_100000762757_100000744528 [0,1,0,1,0,0|2,0,0]=4 29387 B13R1.3576 CC(C)C1CCCN1CCC(=O)N 269982a_100000762757_100000744528 [0,1,0,1,0,0|2,0,0]=4 29388 B13R1.3576 CC(C)C1CCCN1CCC(=O)N 34a_100000762757_100000731001 [0,1,0,1,0,0|2,0,0]=4 29389 B13R1.3576 CC(C)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210312 [0,1,0,1,0,0|2,0,0]=4 29390 B13R1.3576 CC(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210312 [0,1,0,1,0,0|2,0,0]=4 29391 B13R1.3576 CC(O)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100012276601 [0,1,0,1,0,0|2,0,0]=4 29392 B13R1.3576 CC(O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012276601 [0,1,0,1,0,0|2,0,0]=4 29393 B13R1.20 CC(CCO)OC1CCCC(=O)C1 34a_100012613340_100009893172 [0,1,0,1,0,0|2,0,0]=4 29394 B13R1.20 CCCC(C)CN1CCNC(=O)C1 2230a_100000184651_100011216630 [0,1,0,1,0,0|2,0,0]=4 29395 B13R1.20 CCCC(C)CN1CCNC(=O)C1 270004a_100000184651_100000243154 [0,1,0,1,0,0|2,0,0]=4 29396 B13R1.20 CCCC(C)CN1CCOC(=O)C1 2230a_100000131268_100011216630 [0,1,0,1,0,0|2,0,0]=4 29397 B13R1.20 CCCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243154 [0,1,0,1,0,0|2,0,0]=4 29398 B13R1.20 CCCC(C)NC1CCNC(=O)C1 2230a_100016994916_100000766640 [0,1,0,1,0,0|2,0,0]=4 29399 B13R1.20 CCCC(C)NC1CCNC(=O)C1 34a_100016994916_100000766640 [0,1,0,1,0,0|2,0,0]=4 29400 B13R1.20 CCCC(C)OC1C=C(CCC1)C 34a_100011218613_100000766640 [0,1,0,1,0,0|2,0,0]=4 29401 B13R1.20 CCCC(C)OC1CCCC(=O)C1 34a_100012613340_100000766640 [0,1,0,1,0,0|1,0,0]=3 29402 B13R1.20 CCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000766640 [0,1,0,1,0,0|2,0,0]=4 29403 B13R1.20 COCC(C)OC1CCCC(=O)C1 34a_100012613340_100000765312 [0,1,0,1,0,0|2,0,0]=4 29404 B13R1.41 CCCC(C)CNC1CNC(=O)C1 2230a_100000697751_100011216630 [0,1,0,1,0,0|2,0,0]=4 29405 B13R1.41 CCCC(C)COC1CCC(=O)C1 34a_100012614533_100011216630 [0,1,0,1,0,0|1,0,0]=3 29406 B13R1.41 CCCC(C)COC1CNC(=O)C1 34a_100000690082_100011216630 [0,1,0,1,0,0|2,0,0]=4 29407 B13R1.41 CCCC(C)NCC1CNC(=O)C1 2230a_100016993742_100000766640 [0,1,0,1,0,0|2,0,0]=4 29408 B13R1.41 CCCC(C)NCC1CNC(=O)C1 34a_100016993742_100000766640 [0,1,0,1,0,0|2,0,0]=4 29409 B13R1.41 CCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000741246_100015189358 [0,1,0,1,0,0|2,0,0]=4 29410 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000766640 [0,1,0,1,0,0|2,0,0]=4 29411 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000211909 [0,1,0,1,0,0|2,0,0]=4 29412 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000766640 [0,1,0,1,0,0|2,0,0]=4 29413 B13R1.41 CCCC(C)OCC1CCC(=O)N1 34a_100000737831_100000766640 [0,1,0,1,0,0|2,0,0]=4 29414 B13R1.41 CCCC(C)OCC1CNC(=O)C1 34a_100016041077_100000766640 [0,1,0,1,0,0|2,0,0]=4 29415 B13R1.41 CCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000764384_100015189358 [0,1,0,1,0,0|2,0,0]=4 29416 B13R1.41 CCCC(C)SC[C@@H]1CCC(=O)N1 62a_100000766640_100015189358 [0,1,0,1,0,0|2,0,0]=4 29417 B13R1.41 CCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000766640 [0,1,0,1,0,0|2,0,0]=4 29418 B13R1.41 COCC(O)COC1CCC(=O)C1 34a_100012614533_100011215053 [0,1,0,1,0,0|2,0,0]=4 29419 B13R1.164 C=C(C)COC1CCC(CC1C)C 34a_100011539931_100000748629 [0,1,0,1,0,0|2,0,0]=4 29420 B13R1.164 C=C(C)COC1CCC(CC1C)C 7a_100011539931_100000748629 [0,1,0,1,0,0|2,0,0]=4 29421 B13R1.164 CC(=O)CCN1CCN(C[C@@H]1C)C 269982a_100012002466_100000053229 [0,1,0,1,0,0|2,0,0]=4 29422 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 34a_100011539931_100000187820 [0,1,0,1,0,0|2,0,0]=4 29423 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 7a_100011539931_100000187820 [0,1,0,1,0,0|2,0,0]=4 29424 B13R1.164 CC1CCC(C(C1)C)OCC(=O)[O-] 34a_100011539931_100020667443 [0,1,0,1,0,0|2,0,0]=4 29425 B13R1.462 C=C1CC(C1)CNCC(C)CCC 2230a_100102567296_100011216630 [0,1,0,1,0,0|2,0,0]=4 29426 B13R1.462 C=C1CC(C1)CNCC(C)CCC 270004a_100102567296_100000243154 [0,1,0,1,0,0|2,0,0]=4 29427 B13R1.462 C=C1CC(C1)CNCC(C)CCC 34a_100102567296_100011216630 [0,1,0,1,0,0|2,0,0]=4 29428 B13R1.462 C=C1CC(C1)COCC(C)CCC 34a_100011011225_100011216630 [0,1,0,1,0,0|2,0,0]=4 29429 B13R1.462 CCCC(=O)CSCC1CC(=O)C1 62a_100000747444_100009874392 [0,1,0,1,0,0|1,0,1]=4 29430 B13R1.462 CCCC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747444 [0,1,0,1,0,0|1,0,1]=4 29431 B13R1.462 CCCC(C)COCC1CC(=O)C1 34a_100000101936_100011216630 [0,1,0,1,0,0|1,0,0]=3 29432 B13R1.462 CCCC(C)COCC1CC(=O)C1 7a_100000688023_100009874392 [0,1,0,1,0,0|1,0,0]=3 29433 B13R1.462 CCCC(C)CSCC1CC(=O)C1 62a_100009874392_100011216630 [0,1,0,1,0,0|1,0,0]=3 29434 B13R1.462 CCCC(C)CSCC1CC(=O)C1 62a_100011216630_100009874392 [0,1,0,1,0,0|1,0,0]=3 29435 B13R1.462 COCC(O)CNCC1CC(=O)C1 2230a_100000756049_100009874392 [0,1,0,1,0,0|2,0,0]=4 29436 B13R1.462 COCC(O)COCC1CC(=O)C1 34a_100000101936_100011215053 [0,1,0,1,0,0|2,0,0]=4 29437 B13R1.462 COCC(O)CSCC1CC(=O)C1 62a_100009874392_100011215053 [0,1,0,1,0,0|2,0,0]=4 29438 B13R1.462 COCC(O)CSCC1CC(=O)C1 62a_100011215053_100009874392 [0,1,0,1,0,0|2,0,0]=4 29439 B13R1.467 CCCC(=O)N1CCCC1C(=O)C 1458a_100000743415_200000210301 [0,1,0,1,0,0|1,0,1]=4 29440 B13R1.467 CCCC(=O)N1CCCC1C(=O)[13CH3] 1458a_100000743415_200025704644 [0,1,0,1,0,0|1,0,1]=4 29441 B13R1.467 CCCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210303 [0,1,0,1,0,0|1,0,1]=4 29442 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000766640 [0,1,0,1,0,0|2,0,0]=4 29443 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100000211909 [0,1,0,1,0,0|2,0,0]=4 29444 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000766640 [0,1,0,1,0,0|2,0,0]=4 29445 B13R1.1080 CC(=O)CCCCNC(C)C1CC1 34a_100000700016_100009817362 [0,1,0,1,0,0|1,0,0]=3 29446 B13R1.1080 CC(=O)CCCCOC(C)C1CC1 34a_100000744524_100009817362 [0,1,0,1,0,0|1,0,0]=3 29447 B13R1.1080 CC(=O)CCCCOC(C)C1CC1 7a_100000744524_100000735457 [0,1,0,1,0,0|1,0,0]=3 29448 B13R1.1080 CC(=O)CCCNCC(O)C1CC1 34a_100000751198_100000685027 [0,1,0,1,0,0|1,0,0]=3 29449 B13R1.1080 CC(=O)CCCOCC(=O)C1CC1 34a_100000686663_100000685027 [0,1,0,1,0,0|1,0,1]=4 29450 B13R1.1080 CC(=O)CCCOCC(=O)C1CC1 34a_100000759063_100000746382 [0,1,0,1,0,0|1,0,1]=4 29451 B13R1.1080 CC(=O)CCCOCC(=O)C1CC1 7a_100000759063_100000746382 [0,1,0,1,0,0|1,0,1]=4 29452 B13R1.1080 CC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100000685027 [0,1,0,1,0,0|1,0,0]=3 29453 B13R1.1080 CC(=O)CCCSCC(=O)C1CC1 62a_100000746382_100011215641 [0,1,0,1,0,0|1,0,1]=4 29454 B13R1.1080 CC(=O)CCCSCC(=O)C1CC1 62a_100011215641_100000746382 [0,1,0,1,0,0|1,0,1]=4 29455 B13R1.1080 CC(=O)NCCCNC(C)C1CC1 269862a_100000736810_100000210639 [0,1,0,1,0,0|2,0,0]=4 29456 B13R1.1080 CC(=O)NCCNCC(O)C1CC1 2230a_100000751198_100000189650 [0,1,0,1,0,0|2,0,0]=4 29457 B13R1.1080 CC(=O)OCCCCC(=O)C1CC1 1458a_100000210395_100000033659 [0,1,0,1,0,0|1,0,1]=4 29458 B13R1.1080 CC(=O)OCCCCN(C)C1CC1 269982a_100000226674_100000033659 [0,1,0,1,0,0|2,0,0]=4 29459 B13R1.1080 CC(=O)OCCCNC(C)C1CC1 34a_100000700016_100000042594 [0,1,0,1,0,0|2,0,0]=4 29460 B13R1.1080 CC(=O)OCCCOC(C)C1CC1 34a_100000744524_100000042594 [0,1,0,1,0,0|2,0,0]=4 29461 B13R1.1080 CC(=O)OCCCOC(C)C1CC1 7a_100000744524_100000042594 [0,1,0,1,0,0|2,0,0]=4 29462 B13R1.1080 CC(=O)OCCNCC(O)C1CC1 34a_100000751198_100009814007 [0,1,0,1,0,0|2,0,0]=4 29463 B13R1.1080 CC(=O)OCCOC[C@H](N)C1CC1 34a_100020623730_100009814007 [0,1,0,1,0,0|2,0,0]=4 29464 B13R1.1080 CC(=O)SCCCCC(=O)C1CC1 1458a_100000210395_200010402107 [0,1,0,1,0,0|1,0,1]=4 29465 B13R1.1080 CC(=O)SCCCCN(C)C1CC1 2230a_100000226674_200010402107 [0,1,0,1,0,0|2,0,0]=4 29466 B13R1.1080 CC(=O)SCCCCN(C)C1CC1 269982a_100000226674_200010402107 [0,1,0,1,0,0|2,0,0]=4 29467 B13R1.1080 CC(=O)SCCCNC(C)C1CC1 2230a_100000700016_100000038929 [0,1,0,1,0,0|2,0,0]=4 29468 B13R1.1080 CC(=O)SCCCNC(C)C1CC1 34a_100000700016_100000038929 [0,1,0,1,0,0|2,0,0]=4 29469 B13R1.1080 CC(=O)SCCCOC(C)C1CC1 34a_100000744524_100000038929 [0,1,0,1,0,0|2,0,0]=4 29470 B13R1.1080 CC(=O)SCCCOC(C)C1CC1 7a_100000744524_100000038929 [0,1,0,1,0,0|2,0,0]=4 29471 B13R1.1080 CC(NCCCCC(=O)N)C1CC1 269862a_100000696515_100000210639 [0,1,0,1,0,0|2,0,0]=4 29472 B13R1.1080 CN(CCCCCC(=O)N)C1CC1 2230a_100000226674_100009817443 [0,1,0,1,0,0|2,0,0]=4 29473 B13R1.1080 CN(CCCCCC(=O)N)C1CC1 269982a_100000226674_100009817443 [0,1,0,1,0,0|2,0,0]=4 29474 B13R1.1080 NC(=O)CCCCCC(=O)C1CC1 1458a_100000210395_100009817443 [0,1,0,1,0,0|1,0,1]=4 29475 B13R1.1080 NC(=O)CCCNCC(O)C1CC1 34a_100000751198_100102525003 [0,1,0,1,0,0|2,0,0]=4 29476 B13R1.1080 NC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100102525003 [0,1,0,1,0,0|2,0,0]=4 29477 B13R1.1462 CCCC(C)N1CCCNC(=O)C1 2230a_100015190381_100000766640 [0,1,0,1,0,0|2,0,0]=4 29478 B13R1.1462 CCCC(C)N1CCCNC(=O)C1 270004a_100015190381_100000211909 [0,1,0,1,0,0|2,0,0]=4 29479 B13R1.1474 CCCC(C)CN1CCC1C(=O)O 269956a_100000021838_100011216630 [0,1,0,1,0,0|2,0,0]=4 29480 B13R1.8670 CC(=O)CCCCNC1(CCC1)C 34a_100000692455_100009817362 [0,1,0,1,0,0|1,0,0]=3 29481 B13R1.8670 CC(=O)CCCCOC1(CCC1)C 34a_100000759064_100009817362 [0,1,0,1,0,0|1,0,0]=3 29482 B13R1.8670 CC(=O)CCCCOC1(CCC1)C 7a_100000759064_100000735457 [0,1,0,1,0,0|1,0,0]=3 29483 B13R1.8670 CC(=O)CCCCOC1(CSC1)C 7a_100016018533_100000735457 [0,1,0,1,0,0|2,0,0]=4 29484 B13R1.8670 CC(=O)CCCOCC1(CCC1)C 34a_100000759063_100000726658 [0,1,0,1,0,0|1,0,0]=3 29485 B13R1.8670 CC(=O)CCCOCC1(CCC1)C 7a_100000759063_100000726658 [0,1,0,1,0,0|1,0,0]=3 29486 B13R1.8670 CC(=O)CCCOCC1(COC1)C 34a_100000759063_100009817586 [0,1,0,1,0,0|2,0,0]=4 29487 B13R1.8670 CC(=O)CCCOCC1(COC1)C 7a_100000759063_100009817586 [0,1,0,1,0,0|2,0,0]=4 29488 B13R1.8670 CC(=O)CCCOCC1(CSC1)C 34a_100000732658_100000685027 [0,1,0,1,0,0|2,0,0]=4 29489 B13R1.8670 CC(=O)CCCOCC1(CSC1)C 7a_100000732658_100011215641 [0,1,0,1,0,0|2,0,0]=4 29490 B13R1.8670 CC(=O)CCCSCC1(CCC1)C 62a_100000726658_100011215641 [0,1,0,1,0,0|1,0,0]=3 29491 B13R1.8670 CC(=O)CCCSCC1(CCC1)C 62a_100011215641_100000726658 [0,1,0,1,0,0|1,0,0]=3 29492 B13R1.8670 CC(=O)CCCSCC1(COC1)C 62a_100009817586_100011215641 [0,1,0,1,0,0|2,0,0]=4 29493 B13R1.8670 CC(=O)CCCSCC1(COC1)C 62a_100011215641_100009817586 [0,1,0,1,0,0|2,0,0]=4 29494 B13R1.8670 CC(=O)NCCNCC1(CCC1)C 2230a_100000209853_100000726658 [0,1,0,1,0,0|2,0,0]=4 29495 B13R1.8670 CC(=O)NCCNCC1(CCC1)C 2230a_100000706607_100000189650 [0,1,0,1,0,0|2,0,0]=4 29496 B13R1.8670 CC(=O)NCCNCC1(CCC1)O 2230a_100000752638_100000189650 [0,1,0,1,0,0|2,0,0]=4 29497 B13R1.8670 CC(=O)NCCOCC1(CCC1)C 34a_100000158858_100000726658 [0,1,0,1,0,0|2,0,0]=4 29498 B13R1.8670 CC(=O)NCCSCC1(CCC1)C 62a_100000189650_100000726658 [0,1,0,1,0,0|2,0,0]=4 29499 B13R1.8670 CC(=O)NCCSCC1(CCC1)C 62a_100000726658_100000189650 [0,1,0,1,0,0|2,0,0]=4 29500 B13R1.8670 CC(=O)OCCCNC1(CCC1)C 34a_100000692455_100000042594 [0,1,0,1,0,0|2,0,0]=4 29501 B13R1.8670 CC(=O)OCCCOC1(CCC1)C 34a_100000759064_100000042594 [0,1,0,1,0,0|2,0,0]=4 29502 B13R1.8670 CC(=O)OCCCOC1(CCC1)C 7a_100000759064_100000042594 [0,1,0,1,0,0|2,0,0]=4 29503 B13R1.8670 CC(=O)OCCSCC1(CCC1)C 62a_100000726658_100009814007 [0,1,0,1,0,0|2,0,0]=4 29504 B13R1.8670 CC(=O)OCCSCC1(CCC1)C 62a_100009814007_100000726658 [0,1,0,1,0,0|2,0,0]=4 29505 B13R1.8670 CC(=O)SCCCNC1(CCC1)C 2230a_100000692455_100000038929 [0,1,0,1,0,0|2,0,0]=4 29506 B13R1.8670 CC(=O)SCCCNC1(CCC1)C 34a_100000692455_100000038929 [0,1,0,1,0,0|2,0,0]=4 29507 B13R1.8670 CC(=O)SCCCOC1(CCC1)C 34a_100000759064_100000038929 [0,1,0,1,0,0|2,0,0]=4 29508 B13R1.8670 CC(=O)SCCCOC1(CCC1)C 7a_100000759064_100000038929 [0,1,0,1,0,0|2,0,0]=4 29509 B13R1.8670 CC1(CCC1)CNCCCC(=O)N 34a_100000739312_100000726658 [0,1,0,1,0,0|2,0,0]=4 29510 B13R1.8670 CC1(CCC1)CSCCCC(=O)N 62a_100000726658_100102525003 [0,1,0,1,0,0|2,0,0]=4 29511 B13R1.8670 CC1(CCC1)CSCCCC(=O)N 62a_100102525003_100000726658 [0,1,0,1,0,0|2,0,0]=4 29512 B13R1.8670 CS(=O)CCCNCC1(CCC1)C 2230a_200000753449_100000726658 [0,1,0,1,0,0|2,0,0]=4 29513 B13R2.142 O=C1CC(CN1)NC2CCCC2 2230a_100000697751_100000179811 [0,0,0,2,0,0|2,0,0]=4 29514 B13R2.142 O=C1CC(CN1)OC2CCCC2 34a_100000690082_100000179811 [0,0,0,2,0,0|2,0,0]=4 29515 B13R2.142 O=C1CCC(C1)OC2CCCC2 34a_100012614533_100000179811 [0,0,0,2,0,0|1,0,0]=3 29516 B13R2.142 O=C1CCC(C1)OC2CCOC2 34a_100012614533_100000690089 [0,0,0,2,0,0|2,0,0]=4 29517 B13R2.142 O=C1CC[C@H](N1)CN2CCCC2 2230a_100000188435_100015189358 [0,0,0,2,0,0|2,0,0]=4 29518 B13R2.142 O=C1CC[C@H](N1)CN2CCCC2 269982a_100000188435_100015189358 [0,0,0,2,0,0|2,0,0]=4 29519 B13R2.142 O=C1CN(CN1)CC2CCCC2 2230a_200000708111_100000740388 [0,0,0,2,0,0|2,0,0]=4 29520 B13R2.145 CC1CCN1C[C@@H]2CCC(=O)N2 269982a_100000755817_100015189358 [0,0,0,2,0,0|2,0,0]=4 29521 B13R2.2973 O=C1CC(CN1)CNCC2CC2 2230a_100016993742_100000742324 [0,0,0,2,0,0|2,0,0]=4 29522 B13R2.2973 O=C1CC(CN1)CNCC2CC2 269862a_100016993742_100000741477 [0,0,0,2,0,0|2,0,0]=4 29523 B13R2.2973 O=C1CC(CN1)CNCC2CC2 34a_100016993742_100000742324 [0,0,0,2,0,0|2,0,0]=4 29524 B13R2.2973 O=C1CC(CN1)COCC2CC2 34a_100016041077_100000742324 [0,0,0,2,0,0|2,0,0]=4 29525 B13R2.2973 O=C1CC(CN1)NCCC2CC2 2230a_100000697751_100000694398 [0,0,0,2,0,0|2,0,0]=4 29526 B13R2.2973 O=C1CC(CN1)OCCC2CC2 34a_100000690082_100000694398 [0,0,0,2,0,0|2,0,0]=4 29527 B13R2.2973 O=C1CCC(C1)OCCC2CC2 34a_100012614533_100000694398 [0,0,0,2,0,0|1,0,0]=3 29528 B13R2.2973 O=C1CCC(C1)OCCC2CO2 34a_100012614533_100000732470 [0,0,0,2,0,0|2,0,0]=4 29529 B13R2.2973 O=C1CCC(N1)COCC2CC2 34a_100000737831_100000742324 [0,0,0,2,0,0|2,0,0]=4 29530 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 2230a_100015423886_100000742324 [0,0,0,2,0,0|2,0,0]=4 29531 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 269862a_100015423886_100000741477 [0,0,0,2,0,0|2,0,0]=4 29532 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 34a_100015423886_100000742324 [0,0,0,2,0,0|2,0,0]=4 29533 B13R2.2973 O=C1CC[C@H](N1)CNCC2CC2 2230a_100000735609_100015189358 [0,0,0,2,0,0|2,0,0]=4 29534 B13R2.2973 O=C1CC[C@H](N1)CSCC2CC2 62a_100000756562_100015189358 [0,0,0,2,0,0|2,0,0]=4 29535 B13R2.2973 O=C1CC[C@H](N1)CSCC2CC2 62a_100015189358_100000742324 [0,0,0,2,0,0|2,0,0]=4 29536 B13R2.2974 O=C1CC(CN1)CNC2CCC2 34a_100016993742_100000749161 [0,0,0,2,0,0|2,0,0]=4 29537 B13R2.2974 O=C1CC(CN1)COC2CCC2 34a_100016041077_100000749161 [0,0,0,2,0,0|2,0,0]=4 29538 B13R2.2974 O=C1CC(CN1)NCC2CCC2 2230a_100000697751_100000763275 [0,0,0,2,0,0|2,0,0]=4 29539 B13R2.2974 O=C1CC(CN1)NCC2CCC2 269862a_100000697751_100000753134 [0,0,0,2,0,0|2,0,0]=4 29540 B13R2.2974 O=C1CC(CN1)OCC2CCC2 34a_100000690082_100000763275 [0,0,0,2,0,0|2,0,0]=4 29541 B13R2.2974 O=C1CCC(C1)OCC2CCC2 34a_100012614533_100000763275 [0,0,0,2,0,0|1,0,0]=3 29542 B13R2.2974 O=C1CCC(C1)OCC2CCO2 34a_100012614533_100000103362 [0,0,0,2,0,0|2,0,0]=4 29543 B13R2.2974 O=C1CCC(C1)OCC2COC2 34a_100012614533_100010264016 [0,0,0,2,0,0|2,0,0]=4 29544 B13R2.2974 O=C1CCC(N1)COC2CCC2 34a_100000737831_100000749161 [0,0,0,2,0,0|2,0,0]=4 29545 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 270004a_100015423886_100000241760 [0,0,0,2,0,0|2,0,0]=4 29546 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 34a_100015423886_100000749161 [0,0,0,2,0,0|2,0,0]=4 29547 B13R2.2974 O=C1CC[C@H](N1)CNC2CCC2 2230a_100000749019_100015189358 [0,0,0,2,0,0|2,0,0]=4 29548 B13R2.2974 O=C1CC[C@H](N1)CSC2CCC2 62a_100015189358_100000749161 [0,0,0,2,0,0|2,0,0]=4 29549 B13R2.13 O=C1CN(CCN1)C2CCCC2 2230a_100000184651_100000179811 [0,0,0,2,0,0|2,0,0]=4 29550 B13R2.13 O=C1CN(CCN1)C2CCCC2 270004a_100000184651_100000210133 [0,0,0,2,0,0|2,0,0]=4 29551 B13R2.13 O=C1CN(CCO1)C2CCCC2 2230a_100000131268_100000179811 [0,0,0,2,0,0|2,0,0]=4 29552 B13R2.13 O=C1CN(CCO1)C2CCCC2 270004a_100000131268_100000210133 [0,0,0,2,0,0|2,0,0]=4 29553 B13R2.3021 CC1=CC(CCC1)OC2CCC2 34a_100011218613_100000749161 [0,0,0,2,0,0|2,0,0]=4 29554 B13R2.3021 O=C1CC(CCN1)NC2CCC2 34a_100016994916_100000749161 [0,0,0,2,0,0|2,0,0]=4 29555 B13R2.3021 O=C1CCCC(C1)OC2CCC2 34a_100012613340_100000749161 [0,0,0,2,0,0|1,0,0]=3 29556 B13R2.3021 O=C1CCCC(C1)OC2COC2 34a_100012613340_100009818527 [0,0,0,2,0,0|2,0,0]=4 29557 B13R2.3021 O=C1CN(CCN1)CC2CCC2 2230a_100000184651_100000763275 [0,0,0,2,0,0|2,0,0]=4 29558 B13R2.3021 O=C1CN(CCO1)CC2CCC2 2230a_100000131268_100000763275 [0,0,0,2,0,0|2,0,0]=4 29559 B13R2.3021 O=C1C[C@@H](CCN1)OC2CCC2 34a_100015189427_100000749161 [0,0,0,2,0,0|2,0,0]=4 29560 B13R2.5331 CC1=CC(CCC1)OCC2CC2 34a_100011218613_100000742324 [0,0,0,2,0,0|2,0,0]=4 29561 B13R2.5331 O=C1CC(CCN1)COC2CC2 34a_100009886756_100000211595 [0,0,0,2,0,0|2,0,0]=4 29562 B13R2.5331 O=C1CC(CCN1)NCC2CC2 2230a_100016994916_100000742324 [0,0,0,2,0,0|2,0,0]=4 29563 B13R2.5331 O=C1CC(CCN1)NCC2CC2 269862a_100016994916_100000741477 [0,0,0,2,0,0|2,0,0]=4 29564 B13R2.5331 O=C1CC(CCN1)NCC2CC2 34a_100016994916_100000742324 [0,0,0,2,0,0|2,0,0]=4 29565 B13R2.5331 O=C1CCCC(C1)OCC2CC2 34a_100012613340_100000742324 [0,0,0,2,0,0|1,0,0]=3 29566 B13R2.5331 O=C1CCCC(C1)OCC2CO2 34a_100012613340_102125554688 [0,0,0,2,0,0|2,0,0]=4 29567 B13R2.5331 O=C1CCCC(N1)COC2CC2 34a_200000102386_100000211595 [0,0,0,2,0,0|2,0,0]=4 29568 B13R2.5331 O=C1CN(CCN1)CCC2CC2 2230a_100000184651_100000694398 [0,0,0,2,0,0|2,0,0]=4 29569 B13R2.5331 O=C1CN(CCO1)CCC2CC2 2230a_100000131268_100000694398 [0,0,0,2,0,0|2,0,0]=4 29570 B13R2.5331 O=C1C[C@@H](CCN1)OCC2CC2 34a_100015189427_100000742324 [0,0,0,2,0,0|2,0,0]=4 29571 B13R2.31 C=C1CC(C1)NC2CCCCC2 270004a_100132301982_100000210434 [0,0,0,2,0,0|2,0,0]=4 29572 B13R2.31 O=C1CC(C1)CN2CCCOC2 2230a_100000131196_100009874392 [0,0,0,2,0,0|2,0,0]=4 29573 B13R2.31 O=C1CC(C1)CN2CCCOC2 269982a_100000131196_100009874392 [0,0,0,2,0,0|2,0,0]=4 29574 B13R2.31 O=C1CC(C1)CN2CCOCC2 2230a_100015191051_100009874392 [0,0,0,2,0,0|2,0,0]=4 29575 B13R2.31 O=C1CC(C1)CN2CCOCC2 269982a_100015191051_100009874392 [0,0,0,2,0,0|2,0,0]=4 29576 B13R2.31 O=C1CC(C1)CN2CCSCC2 2230a_100000737611_100009874392 [0,0,0,2,0,0|2,0,0]=4 29577 B13R2.31 O=C1CC(C1)CN2CCSCC2 269982a_100000737611_100009874392 [0,0,0,2,0,0|2,0,0]=4 29578 B13R2.31 O=C1CC(C1)SC2CCCCC2 62a_100009894365_100000210327 [0,0,0,2,0,0|1,0,0]=3 29579 B13R2.31 O=C1CC(C1)SC2CCCOC2 62a_100009894365_100000693364 [0,0,0,2,0,0|2,0,0]=4 29580 B13R2.31 O=C1CC(C1)SC2CCOCC2 62a_100009894365_100011324220 [0,0,0,2,0,0|2,0,0]=4 29581 B13R2.31 O=C1CC(C1)SC2CCSCC2 62a_100009894365_100000069128 [0,0,0,2,0,0|2,0,0]=4 29582 B13R2.216 CC1CCCCN1C2CC(=O)C2 269982a_100000211376_100009894365 [0,0,0,2,0,0|1,0,0]=3 29583 B13R2.216 C[C@H]1COCCN1C2CC(=O)C2 269982a_100009815349_100009894365 [0,0,0,2,0,0|2,0,0]=4 29584 B13R2.241 C=C1CC(C1)CNC2CCCC2 2230a_100102567296_100000179811 [0,0,0,2,0,0|2,0,0]=4 29585 B13R2.241 C=C1CC(C1)CNC2CCCC2 270004a_100102567296_100000210133 [0,0,0,2,0,0|2,0,0]=4 29586 B13R2.241 C=C1CC(C1)CNC2CCCC2 34a_100102567296_100000179811 [0,0,0,2,0,0|2,0,0]=4 29587 B13R2.241 C=C1CC(C1)COC2CCCC2 34a_100011011225_100000179811 [0,0,0,2,0,0|2,0,0]=4 29588 B13R2.241 C=C1CC(C1)NCC2CCCC2 2230a_100132301982_100000740388 [0,0,0,2,0,0|2,0,0]=4 29589 B13R2.241 C=C1CC(C1)NCC2CCCC2 269862a_100132301982_100000746403 [0,0,0,2,0,0|2,0,0]=4 29590 B13R2.241 O=C1CC(C1)CNC2CCCC2 2230a_100000211070_100009874392 [0,0,0,2,0,0|1,0,0]=3 29591 B13R2.241 O=C1CC(C1)CN[C@@H]2CCOC2 2230a_200015188469_100009874392 [0,0,0,2,0,0|2,0,0]=4 29592 B13R2.241 O=C1CC(C1)CN[C@H]2CCOC2 2230a_100015188467_100009874392 [0,0,0,2,0,0|2,0,0]=4 29593 B13R2.241 O=C1CC(C1)COC2CCCC2 34a_100000101936_100000179811 [0,0,0,2,0,0|1,0,0]=3 29594 B13R2.241 O=C1CC(C1)COC2CCCC2 7a_100000210269_100009874392 [0,0,0,2,0,0|1,0,0]=3 29595 B13R2.241 O=C1CC(C1)COC2CCOC2 34a_100000101936_100000690089 [0,0,0,2,0,0|2,0,0]=4 29596 B13R2.241 O=C1CC(C1)COC2CCSC2 7a_100011232664_100009874392 [0,0,0,2,0,0|2,0,0]=4 29597 B13R2.241 O=C1CC(C1)CSC2CCCC2 62a_100009874392_100000179811 [0,0,0,2,0,0|1,0,0]=3 29598 B13R2.241 O=C1CC(C1)CSC2CCCC2 62a_100011217020_100009874392 [0,0,0,2,0,0|1,0,0]=3 29599 B13R2.241 O=C1CC(C1)CSC2CCOC2 62a_100009874392_100000690089 [0,0,0,2,0,0|2,0,0]=4 29600 B13R2.241 O=C1CC(C1)SCC2CCCC2 62a_100009894365_100000740388 [0,0,0,2,0,0|1,0,0]=3 29601 B13R2.241 O=C1CC(C1)SCC2CCCO2 62a_100009894365_100000203698 [0,0,0,2,0,0|2,0,0]=4 29602 B13R2.241 O=C1CC(C1)SCC2CCOC2 62a_100009894365_100000702531 [0,0,0,2,0,0|2,0,0]=4 29603 B13R2.361 C=C1CC(C1)NC2CCCC2C 269862a_100132301982_100000752053 [0,0,0,2,0,0|2,0,0]=4 29604 B13R2.361 CC1SCCN1CC2CC(=O)C2 2230a_200011216479_100009874392 [0,0,0,2,0,0|2,0,0]=4 29605 B13R2.361 CC1SCCN1CC2CC(=O)C2 269982a_200011216479_100009874392 [0,0,0,2,0,0|2,0,0]=4 29606 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 2230a_100015189458_100009874392 [0,0,0,2,0,0|1,0,0]=3 29607 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 269982a_100015189458_100009874392 [0,0,0,2,0,0|1,0,0]=3 29608 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 2230a_100020605311_100009874392 [0,0,0,2,0,0|1,0,0]=3 29609 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 269982a_100020605311_100009874392 [0,0,0,2,0,0|1,0,0]=3 29610 B13R2.361 O=C1CC(C1)S[C@@H]2CCC[C@H]2O 62a_100009894365_200016002552 [0,0,0,2,0,0|2,0,0]=4 29611 B13R2.399 CC1CC1COCC2CC(=O)C2 7a_100000744939_100009874392 [0,0,0,2,0,0|1,0,0]=3 29612 B13R2.2357 CCC1CCCN1C2CC(=O)C2 269982a_100000754278_100009894365 [0,0,0,2,0,0|1,0,0]=3 29613 B13R2.2357 O=C1CC(C1)N2CCC[C@@H]2CO 269982a_100000745186_100009894365 [0,0,0,2,0,0|2,0,0]=4 29614 B13R2.2404 COCC1CCN1C2CC(=O)C2 269982a_100015195929_100009894365 [0,0,0,2,0,0|2,0,0]=4 29615 B13R2.5283 O=C1CC(C1)N2CCCCCC2 269982a_100000185865_100009894365 [0,0,0,2,0,0|1,0,0]=3 29616 B13R2.5283 O=C1CC(C1)N2CCCOCC2 269982a_100000685342_100009894365 [0,0,0,2,0,0|2,0,0]=4 29617 B13R2.5292 C=C1CC(C1)CNCCC2CC2 2230a_100102567296_100000694398 [0,0,0,2,0,0|2,0,0]=4 29618 B13R2.5292 C=C1CC(C1)CNCCC2CC2 34a_100102567296_100000694398 [0,0,0,2,0,0|2,0,0]=4 29619 B13R2.5292 C=C1CC(C1)COCCC2CC2 34a_100011011225_100000694398 [0,0,0,2,0,0|2,0,0]=4 29620 B13R2.5292 O=C1CC(C1)COCCC2CC2 34a_100000101936_100000694398 [0,0,0,2,0,0|1,0,0]=3 29621 B13R2.5292 O=C1CC(C1)COCCC2CC2 7a_100000754188_100009874392 [0,0,0,2,0,0|1,0,0]=3 29622 B13R2.5292 O=C1CC(C1)COCCC2CO2 34a_100000101936_100000732470 [0,0,0,2,0,0|2,0,0]=4 29623 B13R2.5292 O=C1CC(C1)CSCCC2CC2 62a_100000764125_100009874392 [0,0,0,2,0,0|1,0,0]=3 29624 B13R2.5292 O=C1CC(C1)CSCCC2CC2 62a_100009874392_100000764125 [0,0,0,2,0,0|1,0,0]=3 29625 B13R2.5292 O=C1CC(C1)CSCCC2CO2 62a_100000732470_100009874392 [0,0,0,2,0,0|2,0,0]=4 29626 B13R2.5292 O=C1CC(C1)CSCCC2CO2 62a_100009874392_100000732470 [0,0,0,2,0,0|2,0,0]=4 29627 B13R2.5292 O=C1CC(C1)SCCCC2CO2 62a_100009894365_100000733510 [0,0,0,2,0,0|2,0,0]=4 29628 B13R2.5303 C=C1CC(C1)CNCC2CCC2 2230a_100102567296_100000763275 [0,0,0,2,0,0|2,0,0]=4 29629 B13R2.5303 C=C1CC(C1)CNCC2CCC2 269862a_100102567296_100000753134 [0,0,0,2,0,0|2,0,0]=4 29630 B13R2.5303 C=C1CC(C1)CNCC2CCC2 34a_100102567296_100000763275 [0,0,0,2,0,0|2,0,0]=4 29631 B13R2.5303 C=C1CC(C1)COCC2CCC2 34a_100011011225_100000763275 [0,0,0,2,0,0|2,0,0]=4 29632 B13R2.5303 O=C1CC(C1)CNCC2CCC2 2230a_100000738700_100009874392 [0,0,0,2,0,0|1,0,0]=3 29633 B13R2.5303 O=C1CC(C1)CNCC2COC2 2230a_100015281925_100009874392 [0,0,0,2,0,0|2,0,0]=4 29634 B13R2.5303 O=C1CC(C1)CNC[C@@H]2CCO2 2230a_100020831831_100009874392 [0,0,0,2,0,0|2,0,0]=4 29635 B13R2.5303 O=C1CC(C1)COCC2CCC2 34a_100000101936_100000763275 [0,0,0,2,0,0|1,0,0]=3 29636 B13R2.5303 O=C1CC(C1)COCC2CCO2 34a_100000101936_100000103362 [0,0,0,2,0,0|2,0,0]=4 29637 B13R2.5303 O=C1CC(C1)COCC2COC2 34a_100000101936_100010264016 [0,0,0,2,0,0|2,0,0]=4 29638 B13R2.5303 O=C1CC(C1)CSCC2CCC2 62a_100000763275_100009874392 [0,0,0,2,0,0|1,0,0]=3 29639 B13R2.5303 O=C1CC(C1)CSCC2CCC2 62a_100009874392_100000763275 [0,0,0,2,0,0|1,0,0]=3 29640 B13R2.5303 O=C1CC(C1)CSCC2CCO2 62a_100000103362_100009874392 [0,0,0,2,0,0|2,0,0]=4 29641 B13R2.5303 O=C1CC(C1)CSCC2CCO2 62a_100009874392_100000103362 [0,0,0,2,0,0|2,0,0]=4 29642 B13R2.5303 O=C1CC(C1)CSCC2COC2 62a_100009874392_100010264016 [0,0,0,2,0,0|2,0,0]=4 29643 B13R2.5303 O=C1CC(C1)CSCC2COC2 62a_100010264016_100009874392 [0,0,0,2,0,0|2,0,0]=4 29644 B13R2.1287 C=C(C)CN1CC2CCC1CC2 2230a_100000750499_100000748629 [0,0,0,2,0,0|2,0,0]=4 29645 B13R2.1287 C=C(C)CN1CC2CCC1CC2 269982a_100000750499_100000748629 [0,0,0,2,0,0|2,0,0]=4 29646 B13R2.1287 C=C(C)CN1CC2CCC1CC2 34a_100000750499_100000748629 [0,0,0,2,0,0|2,0,0]=4 29647 B13R2.1287 CC(=O)N[C@H]1CN2CCC1CC2 240690a_100016987387_100015343762 [0,0,0,2,0,0|2,0,0]=4 29648 B13R2.1287 NC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000747473 [0,0,0,2,0,0|2,0,0]=4 29649 B13R2.1287 NC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000187820 [0,0,0,2,0,0|2,0,0]=4 29650 B13R2.1287 NC(=O)CN1CC2CCC1CC2 34a_100000750499_100000187820 [0,0,0,2,0,0|2,0,0]=4 29651 B13R2.1287 O=C([O-])CN1CC2CCC1CC2 269982a_100000750499_100020667443 [0,0,0,2,0,0|2,0,0]=4 29652 B13R2.1287 O=C([O-])CN1CC2CCC1CC2 34a_100000750499_100020667443 [0,0,0,2,0,0|2,0,0]=4 29653 B13R2.430 CC(=O)N1CCN2CCC[C@@H]2C1 240690a_100000008389_100015343762 [0,0,0,2,0,0|2,0,0]=4 29654 B13R2.430 CC(=O)N1CCN2CCC[C@@H]2C1 527a_100000008389_100103153847 [0,0,0,2,0,0|2,0,0]=4 29655 B13R2.1264 C=C(C)CCN1C2CCC1CC2 2230a_100000735658_100000730704 [0,0,0,2,0,0|2,0,0]=4 29656 B13R2.1264 C=C(C)CCN1C2CCC1CC2 269982a_100000735658_100000730704 [0,0,0,2,0,0|2,0,0]=4 29657 B13R2.1264 C=C(C)CCN1C2CCC1CC2 34a_100000735658_100000730704 [0,0,0,2,0,0|2,0,0]=4 29658 B13R2.1264 C=C(C)COC1C2CCC1CC2 34a_100000210245_100009813300 [0,0,0,2,0,0|2,0,0]=4 29659 B13R2.1264 C=C(C)CSC1C2CCC1CC2 62a_100000748629_100009813300 [0,0,0,2,0,0|2,0,0]=4 29660 B13R2.1264 C=C(C)CSC1C2CCC1CC2 62a_100009813300_100000211660 [0,0,0,2,0,0|2,0,0]=4 29661 B13R2.1264 CC(=O)CCN1C2CCC1CC2 269982a_100000735658_100000053229 [0,0,0,2,0,0|1,0,0]=3 29662 B13R2.1264 CC(=O)COC1C2CCC1CC2 34a_100000211253_100009813300 [0,0,0,2,0,0|1,0,0]=3 29663 B13R2.1264 CC(=O)OCN1C2CCC1CC2 269982a_100000735658_100000076356 [0,0,0,2,0,0|2,0,0]=4 29664 B13R2.1264 CC(=O)OCN1C2CCC1CC2 34a_100000735658_100009813279 [0,0,0,2,0,0|2,0,0]=4 29665 B13R2.1264 NC(=O)CCN1C2CCC1CC2 2230a_100000735658_100000744528 [0,0,0,2,0,0|2,0,0]=4 29666 B13R2.1264 NC(=O)CCN1C2CCC1CC2 269982a_100000735658_100000744528 [0,0,0,2,0,0|2,0,0]=4 29667 B13R2.1264 NC(=O)CCN1C2CCC1CC2 34a_100000735658_100000731001 [0,0,0,2,0,0|2,0,0]=4 29668 B13R2.1264 NC(=O)CSC1C2CCC1CC2 62a_100000747473_100009813300 [0,0,0,2,0,0|2,0,0]=4 29669 B13R2.1264 NC(=O)CSC1C2CCC1CC2 62a_100009813300_100000747473 [0,0,0,2,0,0|2,0,0]=4 29670 B13R2.1264 O=C(O)CNC1C2CCC1CC2 269956a_100016091260_100009813300 [0,0,0,2,0,0|2,0,0]=4 29671 B13R2.1264 O=C([O-])CSC1C2CCC1CC2 62a_100009813300_100020667443 [0,0,0,2,0,0|2,0,0]=4 29672 B13R2.1264 O=C([O-])CSC1C2CCC1CC2 62a_100020667443_100009813300 [0,0,0,2,0,0|2,0,0]=4 29673 B13R2.1466 CCN1C[C@H]2C[C@@H]1CN2C(=O)C 11a_200016994038_100015343762 [0,0,0,2,0,0|2,0,0]=4 29674 B13R2.1466 CCN1C[C@H]2C[C@@H]1CN2C(=O)C 1626a_200016994038_100015343762 [0,0,0,2,0,0|2,0,0]=4 29675 B13R2.1466 CCN1C[C@H]2C[C@@H]1CN2C(=O)C 240690a_200016994038_100015343762 [0,0,0,2,0,0|2,0,0]=4 29676 B13R2.1466 CCN1C[C@H]2C[C@@H]1CN2C(=O)C 527a_200016994038_100103153847 [0,0,0,2,0,0|2,0,0]=4 29677 B13R2.2334 CN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_200000210301 [0,0,0,2,0,0|2,0,0]=4 29678 B13R2.2334 [13CH3]N1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_200025704644 [0,0,0,2,0,0|2,0,0]=4 29679 B13R2.3156 C=C(C)CCN1CCCC12CC2 2230a_100020620911_100000730704 [0,0,0,2,0,0|2,0,0]=4 29680 B13R2.3156 C=C(C)CCN1CCCC12CC2 269982a_100020620911_100000730704 [0,0,0,2,0,0|2,0,0]=4 29681 B13R2.3156 C=C(C)CCN1CCCC12CC2 34a_100020620911_100000730704 [0,0,0,2,0,0|2,0,0]=4 29682 B13R2.3156 CC(=O)CCN1CCCC12CC2 269982a_100020620911_100000053229 [0,0,0,2,0,0|1,0,0]=3 29683 B13R2.3156 CC(=O)OCN1CCCC12CC2 269982a_100020620911_100000076356 [0,0,0,2,0,0|2,0,0]=4 29684 B13R2.3156 CC(=O)OCN1CCCC12CC2 34a_100020620911_100009813279 [0,0,0,2,0,0|2,0,0]=4 29685 B13R2.3156 NC(=O)CCN1CCCC12CC2 2230a_100020620911_100000744528 [0,0,0,2,0,0|2,0,0]=4 29686 B13R2.3156 NC(=O)CCN1CCCC12CC2 269982a_100020620911_100000744528 [0,0,0,2,0,0|2,0,0]=4 29687 B13R2.3156 NC(=O)CCN1CCCC12CC2 34a_100020620911_100000731001 [0,0,0,2,0,0|2,0,0]=4 29688 B13R2.5551 C=C(C)CCN1CC2CCC1C2 2230a_100000743476_100000730704 [0,0,0,2,0,0|2,0,0]=4 29689 B13R2.5551 C=C(C)CCN1CC2CCC1C2 269982a_100000743476_100000730704 [0,0,0,2,0,0|2,0,0]=4 29690 B13R2.5551 C=C(C)CCN1CC2CCC1C2 34a_100000743476_100000730704 [0,0,0,2,0,0|2,0,0]=4 29691 B13R2.5551 C=C(C)CNC1CC2CCC1C2 2230a_100000758229_100000748629 [0,0,0,2,0,0|2,0,0]=4 29692 B13R2.5551 C=C(C)CNC1CC2CCC1C2 34a_100000758229_100000748629 [0,0,0,2,0,0|2,0,0]=4 29693 B13R2.5551 C=C(C)COC1CC2CCC1C2 34a_100000210245_100000727232 [0,0,0,2,0,0|2,0,0]=4 29694 B13R2.5551 C=C(C)COC1CC2CCC1C2 34a_100000211339_100000748629 [0,0,0,2,0,0|2,0,0]=4 29695 B13R2.5551 C=C(C)CSC1CC2CCC1C2 62a_100000727232_100000211660 [0,0,0,2,0,0|2,0,0]=4 29696 B13R2.5551 C=C(C)CSC1CC2CCC1C2 62a_100000748629_100000727232 [0,0,0,2,0,0|2,0,0]=4 29697 B13R2.5551 CC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000053229 [0,0,0,2,0,0|1,0,0]=3 29698 B13R2.5551 CC(=O)CCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000053229 [0,0,0,2,0,0|2,0,0]=4 29699 B13R2.5551 CC(=O)COC1CC2CCC1C2 34a_100000211253_100000727232 [0,0,0,2,0,0|1,0,0]=3 29700 B13R2.5551 CC(=O)OCN1CC2CCC1C2 269982a_100000743476_100000076356 [0,0,0,2,0,0|2,0,0]=4 29701 B13R2.5551 CC(=O)OCN1CC2CCC1C2 34a_100000743476_100009813279 [0,0,0,2,0,0|2,0,0]=4 29702 B13R2.5551 NC(=O)CCN1CC2CCC1C2 2230a_100000743476_100000744528 [0,0,0,2,0,0|2,0,0]=4 29703 B13R2.5551 NC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000744528 [0,0,0,2,0,0|2,0,0]=4 29704 B13R2.5551 NC(=O)CCN1CC2CCC1C2 34a_100000743476_100000731001 [0,0,0,2,0,0|2,0,0]=4 29705 B13R2.5551 NC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000747473 [0,0,0,2,0,0|2,0,0]=4 29706 B13R2.5551 NC(=O)CNC1CC2CCC1C2 34a_100000758229_100000187820 [0,0,0,2,0,0|2,0,0]=4 29707 B13R2.5551 NC(=O)COC1CC2CCC1C2 34a_100000211339_100000187820 [0,0,0,2,0,0|2,0,0]=4 29708 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000727232_100000747473 [0,0,0,2,0,0|2,0,0]=4 29709 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000747473_100000727232 [0,0,0,2,0,0|2,0,0]=4 29710 B13R2.5551 O=C(O)CNC1CC2CCC1C2 269956a_100016091260_100000727232 [0,0,0,2,0,0|2,0,0]=4 29711 B13R2.5551 O=C([O-])CNC1CC2CCC1C2 34a_100000758229_100020667443 [0,0,0,2,0,0|2,0,0]=4 29712 B13R2.5551 O=C([O-])COC1CC2CCC1C2 34a_100000211339_100020667443 [0,0,0,2,0,0|2,0,0]=4 29713 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100000727232_100020667443 [0,0,0,2,0,0|2,0,0]=4 29714 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100020667443_100000727232 [0,0,0,2,0,0|2,0,0]=4 29715 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100015343762 [0,0,0,2,0,0|1,0,0]=3 29716 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100015343762 [0,0,0,2,0,0|1,0,0]=3 29717 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100015343762 [0,0,0,2,0,0|1,0,0]=3 29718 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100103153847 [0,0,0,2,0,0|1,0,0]=3 29719 B13R2.543 C=C(C)CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000748629 [0,0,0,2,0,0|2,0,0]=4 29720 B13R2.543 C=C(C)CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000748629 [0,0,0,2,0,0|2,0,0]=4 29721 B13R2.543 C=C(C)CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000748629 [0,0,0,2,0,0|2,0,0]=4 29722 B13R2.543 NC(=O)CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000747473 [0,0,0,2,0,0|2,0,0]=4 29723 B13R2.543 NC(=O)CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000187820 [0,0,0,2,0,0|2,0,0]=4 29724 B13R2.543 NC(=O)CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000187820 [0,0,0,2,0,0|2,0,0]=4 29725 B13R2.543 O=C([O-])CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100020667443 [0,0,0,2,0,0|2,0,0]=4 29726 B13R2.543 O=C([O-])CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100020667443 [0,0,0,2,0,0|2,0,0]=4 29727 B13R2.13806 C=C(C)CCOC1CCC2C1C2 34a_200012295571_100000730704 [0,0,0,2,0,0|2,0,0]=4 29728 B13R2.13806 CC(=O)OCOC1CCC2C1C2 34a_200012295571_100009813279 [0,0,0,2,0,0|2,0,0]=4 29729 B13R2.13806 NC(=O)CCNC1CCC2C1C2 269862a_100000740010_100000692480 [0,0,0,2,0,0|2,0,0]=4 29730 B13R2.13806 NC(=O)CCOC1CCC2C1C2 34a_200012295571_100000731001 [0,0,0,2,0,0|2,0,0]=4 29731 B13R2.5565 CC(=O)CCCN1CC2CC2C1 269982a_100000741873_100011215641 [0,0,0,2,0,0|1,0,0]=3 29732 B13R2.5565 CC(=O)CCCN1CC2CC2C1 34a_100000741873_100000685027 [0,0,0,2,0,0|1,0,0]=3 29733 B13R2.5565 CC(=O)NCCN1CC2CC2C1 2230a_100000741873_100000189650 [0,0,0,2,0,0|2,0,0]=4 29734 B13R2.5565 CC(=O)NCCN1CC2CC2C1 269982a_100000741873_100000189650 [0,0,0,2,0,0|2,0,0]=4 29735 B13R2.5565 CC(=O)OCCN1CC2CC2C1 269982a_100000741873_100009814007 [0,0,0,2,0,0|2,0,0]=4 29736 B13R2.5565 CC(=O)OCCN1CC2CC2C1 34a_100000741873_100009814007 [0,0,0,2,0,0|2,0,0]=4 29737 B13R2.5565 NC(=O)CCCN1CC2CC2C1 269982a_100000741873_100102525003 [0,0,0,2,0,0|2,0,0]=4 29738 B13R2.5565 NC(=O)CCCN1CC2CC2C1 34a_100000741873_100102525003 [0,0,0,2,0,0|2,0,0]=4 29739 B13R2.5852 CC(=O)CCN1CCC12COC2 269982a_100015204706_100000053229 [0,0,0,2,0,0|2,0,0]=4 29740 B13R2.5559 CC(=O)N1CCN2CCC1CC2 240690a_100000027273_100015343762 [0,0,0,2,0,0|2,0,0]=4 29741 B13R2.5559 CC(=O)N1CCN2CCC1CC2 527a_100000027273_100103153847 [0,0,0,2,0,0|2,0,0]=4 29742 B13R2.432 CC(=O)C1CCN1C2CCCC2 1458a_100000043100_200000210301 [0,0,0,2,0,0|1,0,0]=3 29743 B13R2.432 O=C(O)C1CCN1C2CCCC2 269956a_100000021838_100000179811 [0,0,0,2,0,0|2,0,0]=4 29744 B13R2.432 [13CH3]C(=O)C1CCN1C2CCCC2 1458a_100000043100_200025704644 [0,0,0,2,0,0|1,0,0]=3 29745 B13R2.5602 NC(=O)[C@@H]1CCCN1C2CCC2 270004a_100000003125_100000241760 [0,0,0,2,0,0|2,0,0]=4 29746 B13R2.5602 O=C(O)[C@@H]1CCCN1C2CCC2 269956a_100000743916_100000749161 [0,0,0,2,0,0|2,0,0]=4 29747 B13R2.11169 O=C1CN(CCCN1)C2CCC2 270004a_100015190381_100000241760 [0,0,0,2,0,0|2,0,0]=4 29748 B13R2.13743 O=C(O)C1CCN1CC2CCC2 269956a_100000021838_100000763275 [0,0,0,2,0,0|2,0,0]=4 29749 B13R2.5514 NC(=O)C1CCCCN1C2CC2 269982a_100000181395_100000211595 [0,0,0,2,0,0|2,0,0]=4 29750 B13R2.5514 NC(=O)C1CCCCN1C2CC2 34a_100000181395_100000211595 [0,0,0,2,0,0|2,0,0]=4 29751 B13R2.5514 O=C(O)[C@H]1CCCCN1C2CC2 269956a_100000763471_100000211595 [0,0,0,2,0,0|2,0,0]=4 29752 B13R2.13663 CC(=O)C12CCCCN1CCC2 1458a_200020892223_200000210301 [0,0,0,2,0,0|1,0,0]=3 29753 B13R2.13663 [13CH3]C(=O)C12CCCCN1CCC2 1458a_200020892223_200025704644 [0,0,0,2,0,0|1,0,0]=3 29754 B13R2.5604 C=C(C)CN1CCCC1C2CC2 2230a_200000757794_100000748629 [0,0,0,2,0,0|2,0,0]=4 29755 B13R2.5604 C=C(C)CN1CCCC1C2CC2 269982a_200000757794_100000748629 [0,0,0,2,0,0|2,0,0]=4 29756 B13R2.5604 C=C(C)CN1CCCC1C2CC2 34a_200000757794_100000748629 [0,0,0,2,0,0|2,0,0]=4 29757 B13R2.5604 NC(=O)CN1CCCC1C2CC2 2230a_200000757794_100000747473 [0,0,0,2,0,0|2,0,0]=4 29758 B13R2.5604 NC(=O)CN1CCCC1C2CC2 269982a_200000757794_100000187820 [0,0,0,2,0,0|2,0,0]=4 29759 B13R2.5604 NC(=O)CN1CCCC1C2CC2 34a_200000757794_100000187820 [0,0,0,2,0,0|2,0,0]=4 29760 B13R2.5604 O=C([O-])CN1CCCC1C2CC2 269982a_200000757794_100020667443 [0,0,0,2,0,0|2,0,0]=4 29761 B13R2.5604 O=C([O-])CN1CCCC1C2CC2 34a_200000757794_100020667443 [0,0,0,2,0,0|2,0,0]=4 29762 B13R2.14125 CC(=O)CC12CCCN1CCC2 1458a_100000070827_200000210301 [0,0,0,2,0,0|1,0,0]=3 29763 B13R2.14125 [13CH3]C(=O)CC12CCCN1CCC2 1458a_100000070827_200025704644 [0,0,0,2,0,0|1,0,0]=3 29764 B13R2.10288 O=C1CN(CCCN1)CC2CC2 2230a_100015190381_100000742324 [0,0,0,2,0,0|2,0,0]=4 29765 B13R2.5574 NC(=O)[C@@H]1CCCN1CC2CC2 2230a_100000003125_100000742324 [0,0,0,2,0,0|2,0,0]=4 29766 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 269956a_100000743916_100000742324 [0,0,0,2,0,0|2,0,0]=4 29767 B13R2.5563 O=C(O)C1CCN1CCC2CC2 269956a_100000021838_100000694398 [0,0,0,2,0,0|2,0,0]=4