0 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.2 C#CCCCCCN(C)C 2230a_100102631434_100012094781 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 C#CCCCCCN(C)C 269982a_100102631434_100012094781 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.2 C#CCCCNCC(=C)C 34a_100000718082_100000748629 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.2 C#CCCCNCC(=O)[O-] 34a_100000718082_100020667443 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.2 C#CCCCOCC(=C)C 34a_100000210245_100000695029 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.2 C#CCCCOCC(=C)C 34a_100000215630_100000748629 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.2 C#CCCCOCC(=C)C 7a_100000215630_100000748629 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.2 C#CCCCSCC(=C)C 62a_100000748629_100011215417 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.2 C#CCCCSCC(=C)C 62a_100011215417_100000211660 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100011215417_100020667443 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100020667443_100011215417 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.2 C#CCCNCCC(=C)C 34a_100000755551_100000730704 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.2 C#CCCOCCC(=C)C 34a_100000764851_100000688953 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.2 C#CCCOCCC(=C)C 34a_100011215631_100000730704 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,0,0,0,0,0|1,0,2]=3 33 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,0,0,0,0,0|1,0,2]=3 34 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.2 C#CCCSCCC(=C)C 62a_100000688953_100000730704 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.2 C#CCCSCCC(=C)C 62a_100000730704_100000688953 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,0,0,0,0,0|1,0,2]=3 41 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,0,0,0,0,0|1,0,2]=3 42 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,0,0,0,0,0|1,0,2]=3 47 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.2 C#CCNCCCS(=O)C 2230a_200000753449_100000038162 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.2 C#CCNCCNC(=O)C 2230a_100000209853_100000038162 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,0,0,0,0,0|1,0,2]=3 53 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,0,0,0,0,0|1,0,2]=3 54 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,0,0,0,0,0|1,0,2]=3 55 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.2 C#CCOCCNC(=O)C 11a_100000700922_100015343762 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.2 C#CCOCCNC(=O)C 1626a_100000700922_100015343762 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.2 C#CCOCCNC(=O)C 240690a_100000700922_100015343762 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.2 C#CCOCCNC(=O)C 34a_100000158858_100000184674 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.2 C#CCOCCNC(=O)C 527a_100000700922_100103153847 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,0,0,0,0,0|1,0,2]=3 63 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.2 C#CCSCCNC(=O)C 62a_100000038162_100000189650 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,0,0,0,0,0|1,0,2]=3 69 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,0,0,0,0,0|1,0,2]=3 70 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,0,0,0,0,0|1,0,2]=3 75 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,0,0,0,0,0|1,0,2]=3 76 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,0,0,0,0,0|2,0,2]=4 77 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,0,0,0,0,0|2,0,2]=4 78 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,0,0,0,0,0|2,0,2]=4 79 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,0,0,0,0,0|2,0,2]=4 80 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,0,0,0,0,0|2,0,2]=4 81 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,0,0,0,0,0|2,0,2]=4 82 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.2 C=C(C)CCOCCON 34a_100000700252_100000730704 [0,0,0,0,0,0|4,0,0]=4 101 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [0,0,0,0,0,0|2,0,2]=4 105 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [0,0,0,0,0,0|2,0,2]=4 107 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.2 C=C(C)CCSCCC#N 62a_100000730704_100011215226 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.2 C=C(C)CCSCCC#N 62a_100011215226_100000730704 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,0,0,0,0,0|2,0,2]=4 111 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,0,0,0,0,0|2,0,2]=4 112 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,0,0,0,0,0|2,0,2]=4 121 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.2 C=C(C)COCC/C=C/C 34a_100016278192_100000748629 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,0,0,0,0,0|2,0,2]=4 128 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,0,0,0,0,0|2,0,2]=4 129 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,0,0,0,0,0|2,0,2]=4 130 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,0,0,0,0,0|3,0,1]=4 139 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,0,0,0,0,0|3,0,1]=4 140 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,0,0,0,0,0|3,0,1]=4 141 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.2 C=C(C)CSCCCC#N 62a_100000687738_100000211660 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.2 C=C(C)CSCCCC#N 62a_100000748629_100000687738 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,0,0,0,0,0|3,0,0]=3 146 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,0,0,0,0,0|3,0,0]=3 147 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,0,0,0,0,0|2,0,2]=4 148 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,0,0,0,0,0|2,0,2]=4 149 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,0,0,0,0,0|3,0,1]=4 152 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.2 C=CCCC=NNC(=O)C 4a_100000189765_100011216789 [0,0,0,0,0,0|2,0,1]=3 158 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,0,0,0,0|0,0,0]=0 159 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,0,0,0,0|0,0,0]=0 160 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,0,0,0,0|0,0,0]=0 161 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,0,0,0,0,0|2,0,0]=2 162 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,0,0,0,0,0|2,0,0]=2 163 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,0,0,0,0,0|1,0,0]=1 164 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,0,0,0,0,0|1,0,0]=1 165 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,0,0,0,0,0|1,0,0]=1 166 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,0,0,0,0,0|1,0,0]=1 167 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,0,0,0,0,0|2,0,1]=3 168 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,0,0,0,0,0|2,0,1]=3 169 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,0,0,0,0,0|2,0,1]=3 170 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,0,0,0,0,0|2,0,1]=3 171 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,0,0,0,0,0|2,0,1]=3 172 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,0,0,0,0,0|2,0,1]=3 173 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,0,0,0,0,0|2,0,1]=3 174 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,0,0,0,0,0|2,0,1]=3 175 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,0,0,0,0,0|2,0,1]=3 176 B9R0.2 C=CCCCNCC(=C)C 2230a_100000700776_100000748629 [0,0,0,0,0,0|2,0,0]=2 177 B9R0.2 C=CCCCNCC(=C)C 34a_100000700776_100000748629 [0,0,0,0,0,0|2,0,0]=2 178 B9R0.2 C=CCCCNCC(=C)F 2230a_100000700776_100009893438 [0,0,0,0,0,0|2,0,1]=3 179 B9R0.2 C=CCCCNCC(=C)F 34a_100000700776_100009893438 [0,0,0,0,0,0|2,0,1]=3 180 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,0,0,0,0,0|2,0,0]=2 181 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,0,0,0,0,0|2,0,0]=2 182 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,0,0,0,0,0|2,0,0]=2 183 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,0,0,0,0,0|2,0,0]=2 184 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,0,0,0,0,0|2,0,0]=2 185 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,0,0,0,0,0|2,0,1]=3 186 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,0,0,0,0,0|2,0,1]=3 187 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,0,0,0,0,0|2,0,1]=3 188 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,0,0,0,0,0|2,0,1]=3 189 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,0,0,0,0,0|2,0,1]=3 190 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [0,0,0,0,0,0|1,0,2]=3 191 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [0,0,0,0,0,0|1,0,2]=3 192 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [0,0,0,0,0,0|1,0,2]=3 193 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [0,0,0,0,0,0|1,0,2]=3 194 B9R0.2 C=CCCCNCC(F)F 2230a_100000700776_100011934356 [0,0,0,0,0,0|3,0,1]=4 195 B9R0.2 C=CCCCNCC(F)F 34a_100000700776_100011934356 [0,0,0,0,0,0|3,0,1]=4 196 B9R0.2 C=CCCCNCC(F)F 34a_100000765723_100000757094 [0,0,0,0,0,0|3,0,1]=4 197 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [0,0,0,0,0,0|1,0,2]=3 198 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [0,0,0,0,0,0|1,0,2]=3 199 B9R0.2 C=CCCCNC[N+](=O)[O-] 34a_100000700776_100000761209 [0,0,0,0,0,0|3,0,0]=3 200 B9R0.2 C=CCCCOCC(=C)C 34a_100000210245_100000757094 [0,0,0,0,0,0|2,0,0]=2 201 B9R0.2 C=CCCCOCC(=C)C 34a_100000758997_100000748629 [0,0,0,0,0,0|2,0,0]=2 202 B9R0.2 C=CCCCOCC(=C)C 7a_100000758997_100000748629 [0,0,0,0,0,0|2,0,0]=2 203 B9R0.2 C=CCCCOCC(=C)F 34a_100000758997_100009893438 [0,0,0,0,0,0|2,0,1]=3 204 B9R0.2 C=CCCCOCC(=C)F 34a_200010262243_100000757094 [0,0,0,0,0,0|2,0,1]=3 205 B9R0.2 C=CCCCOCC(=C)F 7a_100000758997_100000042424 [0,0,0,0,0,0|2,0,1]=3 206 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,0,0,0,0,0|1,0,0]=1 207 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,0,0,0,0,0|2,0,0]=2 208 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,0,0,0,0,0|2,0,0]=2 209 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,0,0,0,0,0|2,0,0]=2 210 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [0,0,0,0,0,0|2,0,1]=3 211 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,0,0,0,0,0|2,0,1]=3 212 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,0,0,0,0,0|2,0,1]=3 213 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,0,0,0,0,0|2,0,1]=3 214 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [0,0,0,0,0,0|2,0,1]=3 215 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [0,0,0,0,0,0|1,0,2]=3 216 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [0,0,0,0,0,0|1,0,2]=3 217 B9R0.2 C=CCCCOCC(F)F 34a_100000743014_100000757094 [0,0,0,0,0,0|3,0,1]=4 218 B9R0.2 C=CCCCOCC(F)F 34a_100000758997_100011934356 [0,0,0,0,0,0|3,0,1]=4 219 B9R0.2 C=CCCCOCC(F)F 7a_100000758997_100011934356 [0,0,0,0,0,0|3,0,1]=4 220 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [0,0,0,0,0,0|2,0,1]=3 221 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [0,0,0,0,0,0|2,0,1]=3 222 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [0,0,0,0,0,0|1,0,2]=3 223 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [0,0,0,0,0,0|1,0,2]=3 224 B9R0.2 C=CCCCOC[N+](=O)[O-] 34a_100000758997_100000761209 [0,0,0,0,0,0|3,0,0]=3 225 B9R0.2 C=CCCCSCC(=C)C 62a_100000748629_100000757094 [0,0,0,0,0,0|2,0,0]=2 226 B9R0.2 C=CCCCSCC(=C)C 62a_100011713584_100000211660 [0,0,0,0,0,0|2,0,0]=2 227 B9R0.2 C=CCCCSCC(=C)F 62a_100000042424_100000757094 [0,0,0,0,0,0|2,0,1]=3 228 B9R0.2 C=CCCCSCC(=C)F 62a_100011713584_100000042424 [0,0,0,0,0,0|2,0,1]=3 229 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,0,0,0,0,0|2,0,0]=2 230 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,0,0,0,0,0|2,0,0]=2 231 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,0,0,0,0,0|2,0,0]=2 232 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,0,0,0,0,0|2,0,0]=2 233 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,0,0,0,0,0|2,0,1]=3 234 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,0,0,0,0,0|2,0,1]=3 235 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,0,0,0,0,0|1,0,2]=3 236 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,0,0,0,0,0|1,0,2]=3 237 B9R0.2 C=CCCCSCC(F)F 62a_100011713584_100011934356 [0,0,0,0,0,0|3,0,1]=4 238 B9R0.2 C=CCCCSCC(F)F 62a_100011934356_100000757094 [0,0,0,0,0,0|3,0,1]=4 239 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,0,0,0,0,0|1,0,2]=3 240 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,0,0,0,0,0|1,0,2]=3 241 B9R0.2 C=CCCCSC[N+](=O)[O-] 62a_100011713584_100000761209 [0,0,0,0,0,0|3,0,0]=3 242 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [0,0,0,0,0,0|2,0,1]=3 243 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [0,0,0,0,0,0|2,0,1]=3 244 B9R0.2 C=CCCNCCC(=C)C 2230a_100015191253_100000730704 [0,0,0,0,0,0|2,0,0]=2 245 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,0,0,0,0,0|2,0,0]=2 246 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,0,0,0,0,0|2,0,1]=3 247 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,0,0,0,0,0|2,0,1]=3 248 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [0,0,0,0,0,0|1,0,2]=3 249 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [0,0,0,0,0,0|1,0,2]=3 250 B9R0.2 C=CCCNCOC(C)C 2230a_100015191253_100000709892 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,0,0,0,0,0|3,0,0]=3 252 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [0,0,0,0,0,0|2,0,1]=3 253 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [0,0,0,0,0,0|2,0,1]=3 254 B9R0.2 C=CCCOCCC(=C)Br 34a_100009813270_100000754431 [0,0,0,0,0,0|2,0,1]=3 255 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,0,0,0,0,0|2,0,0]=2 256 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,0,0,0,0,0|2,0,0]=2 257 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,0,0,0,0,0|1,0,0]=1 258 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,0,0,0,0,0|1,0,0]=1 259 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,0,0,0,0,0|2,0,0]=2 260 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,0,0,0,0,0|2,0,0]=2 261 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,0,0,0,0,0|2,0,0]=2 262 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,0,0,0,0,0|2,0,1]=3 263 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,0,0,0,0,0|2,0,1]=3 264 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,0,0,0,0,0|2,0,1]=3 265 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,0,0,0,0,0|2,0,1]=3 266 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,0,0,0,0,0|1,0,2]=3 267 B9R0.2 C=CCCOCCC(F)F 34a_100103093639_100000754431 [0,0,0,0,0,0|3,0,1]=4 268 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,0,0,0,0,0|2,0,1]=3 269 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,0,0,0,0,0|2,0,0]=2 270 B9R0.2 C=CCCOCOC(C)C 34a_100011205117_100000709892 [0,0,0,0,0,0|3,0,1]=4 271 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [0,0,0,0,0,0|2,0,1]=3 272 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [0,0,0,0,0,0|2,0,1]=3 273 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [0,0,0,0,0,0|2,0,0]=2 274 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [0,0,0,0,0,0|2,0,0]=2 275 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,0,0,0,0,0|1,0,0]=1 276 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,0,0,0,0,0|1,0,0]=1 277 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,0,0,0,0,0|2,0,0]=2 278 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,0,0,0,0,0|2,0,0]=2 279 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,0,0,0,0,0|2,0,1]=3 280 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,0,0,0,0,0|2,0,1]=3 281 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,0,0,0,0,0|1,0,2]=3 282 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,0,0,0,0,0|1,0,2]=3 283 B9R0.2 C=CCCSCCN(C)C 62a_100000754431_100000755713 [0,0,0,0,0,0|3,0,0]=3 284 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,0,0,0,0,0|2,0,0]=2 285 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,0,0,0,0,0|2,0,0]=2 286 B9R0.2 C=CCCSCOC(C)C 62a_100000709892_100000754431 [0,0,0,0,0,0|3,0,1]=4 287 B9R0.2 C=CCCSCOC(C)C 62a_100000754431_100000709892 [0,0,0,0,0,0|3,0,1]=4 288 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [0,0,0,0,0,0|2,0,1]=3 289 B9R0.2 C=CCNCCC=C(F)F 2230a_100020586998_200009816681 [0,0,0,0,0,0|3,0,1]=4 290 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,0,0,0,0,0|2,0,0]=2 291 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,0,0,0,0,0|2,0,1]=3 292 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,0,0,0,0,0|2,0,1]=3 293 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,0,0,0,0,0|2,0,1]=3 294 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [0,0,0,0,0,0|1,0,2]=3 295 B9R0.2 C=CCNCCCS(=O)C 2230a_200000753449_100000210623 [0,0,0,0,0,0|2,0,0]=2 296 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [0,0,0,0,0,0|2,0,0]=2 297 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [0,0,0,0,0,0|2,0,0]=2 298 B9R0.2 C=CCNCCNC(=O)N 2230a_100020586998_200000034859 [0,0,0,0,0,0|3,0,0]=3 299 B9R0.2 C=CCNCCNC(=O)N 34a_100020590234_100015514636 [0,0,0,0,0,0|3,0,0]=3 300 B9R0.2 C=CCNCCOC(C)C 2230a_100000701111_100000210623 [0,0,0,0,0,0|3,0,1]=4 301 B9R0.2 C=CCNCCOC(C)C 2230a_100020586998_100000211751 [0,0,0,0,0,0|3,0,1]=4 302 B9R0.2 C=CCNCCOC(C)C 34a_100000701111_100015514636 [0,0,0,0,0,0|3,0,1]=4 303 B9R0.2 C=CCNCCSC(C)C 2230a_100000731138_100000210623 [0,0,0,0,0,0|3,0,1]=4 304 B9R0.2 C=CCNCCSC(C)C 2230a_100020586998_100000730970 [0,0,0,0,0,0|3,0,1]=4 305 B9R0.2 C=CCNCCSC(C)C 34a_100000731138_100015514636 [0,0,0,0,0,0|3,0,1]=4 306 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [0,0,0,0,0,0|2,0,1]=3 307 B9R0.2 C=CCOCCC=C(F)F 34a_200000210373_200009816681 [0,0,0,0,0,0|3,0,1]=4 308 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,0,0,0,0,0|1,0,0]=1 309 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,0,0,0,0,0|1,0,0]=1 310 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,0,0,0,0,0|1,0,0]=1 311 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,0,0,0,0,0|2,0,0]=2 312 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,0,0,0,0,0|2,0,1]=3 313 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,0,0,0,0,0|2,0,1]=3 314 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,0,0,0,0,0|2,0,1]=3 315 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,0,0,0,0,0|1,0,2]=3 316 B9R0.2 C=CCOCCC[N+](=O)[O-] 34a_200000037920_100015514636 [0,0,0,0,0,0|3,0,0]=3 317 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,0,0,0,0,0|2,0,0]=2 318 B9R0.2 C=CCOCCNC(=O)N 34a_100000181757_100015514636 [0,0,0,0,0,0|3,0,0]=3 319 B9R0.2 C=CCOCCNC(C)C 34a_100000224655_100015514636 [0,0,0,0,0,0|3,0,1]=4 320 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,0,0,0,0,0|2,0,0]=2 321 B9R0.2 C=CCOCCOC(=O)N 34a_200000210373_200011214921 [0,0,0,0,0,0|3,0,0]=3 322 B9R0.2 C=CCOCCOC(=O)N 7a_100000766696_100015514636 [0,0,0,0,0,0|3,0,0]=3 323 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [0,0,0,0,0,0|3,0,1]=4 324 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [0,0,0,0,0,0|3,0,1]=4 325 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [0,0,0,0,0,0|3,0,1]=4 326 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [0,0,0,0,0,0|3,0,1]=4 327 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [0,0,0,0,0,0|3,0,1]=4 328 B9R0.2 C=CCOCCSC(C)C 34a_200000210373_100000730970 [0,0,0,0,0,0|3,0,1]=4 329 B9R0.2 C=CCOCCSC(C)C 34a_200011212901_100015514636 [0,0,0,0,0,0|3,0,1]=4 330 B9R0.2 C=CCOCCSC(C)C 7a_200011212901_100015514636 [0,0,0,0,0,0|3,0,1]=4 331 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [0,0,0,0,0,0|2,0,1]=3 332 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [0,0,0,0,0,0|2,0,1]=3 333 B9R0.2 C=CCSCCC=C(F)F 62a_100000210623_200009816681 [0,0,0,0,0,0|3,0,1]=4 334 B9R0.2 C=CCSCCC=C(F)F 62a_200009816681_100000210623 [0,0,0,0,0,0|3,0,1]=4 335 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,0,0,0,0,0|1,0,0]=1 336 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,0,0,0,0,0|1,0,0]=1 337 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,0,0,0,0,0|2,0,0]=2 338 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,0,0,0,0,0|2,0,0]=2 339 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,0,0,0,0,0|2,0,1]=3 340 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,0,0,0,0,0|2,0,1]=3 341 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [0,0,0,0,0,0|1,0,2]=3 342 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [0,0,0,0,0,0|1,0,2]=3 343 B9R0.2 C=CCSCCCN(C)C 62a_100000210623_100000757444 [0,0,0,0,0,0|3,0,0]=3 344 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [0,0,0,0,0,0|2,0,0]=2 345 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [0,0,0,0,0,0|2,0,0]=2 346 B9R0.2 C=CCSCCNC(=O)N 62a_100000210623_200000034859 [0,0,0,0,0,0|3,0,0]=3 347 B9R0.2 C=CCSCCNC(=O)N 62a_200000034859_100000210623 [0,0,0,0,0,0|3,0,0]=3 348 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,0,0,0,0,0|2,0,0]=2 349 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,0,0,0,0,0|2,0,0]=2 350 B9R0.2 C=CCSCCOC(=O)N 62a_100000210623_200011214921 [0,0,0,0,0,0|3,0,0]=3 351 B9R0.2 C=CCSCCOC(=O)N 62a_200011214921_100000210623 [0,0,0,0,0,0|3,0,0]=3 352 B9R0.2 C=CCSCCOC(C)C 62a_100000210623_100000211751 [0,0,0,0,0,0|3,0,1]=4 353 B9R0.2 C=CCSCCOC(C)C 62a_100000211751_100000210623 [0,0,0,0,0,0|3,0,1]=4 354 B9R0.2 C=CCSCCSC(C)C 62a_100000210623_100000730970 [0,0,0,0,0,0|3,0,1]=4 355 B9R0.2 C=CCSCCSC(C)C 62a_100000730970_100000210623 [0,0,0,0,0,0|3,0,1]=4 356 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [0,0,0,0,0,0|2,0,0]=2 357 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [0,0,0,0,0,0|2,0,0]=2 358 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [0,0,0,0,0,0|2,0,0]=2 359 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [0,0,0,0,0,0|2,0,0]=2 360 B9R0.2 C=COCCCNC(C)C 2230a_100000210767_100000210206 [0,0,0,0,0,0|3,0,1]=4 361 B9R0.2 C=COCCCNC(C)C 34a_100000210767_100000210206 [0,0,0,0,0,0|3,0,1]=4 362 B9R0.2 C=COCCNCC(=O)N 2230a_100000711301_100000039644 [0,0,0,0,0,0|3,0,0]=3 363 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [0,0,0,0,0,0|3,0,0]=3 364 B9R0.2 C=COCCNCC(C)C 2230a_100000210953_100000039644 [0,0,0,0,0,0|3,0,1]=4 365 B9R0.2 C=COCCNCC(C)C 34a_100000210953_100000039644 [0,0,0,0,0,0|3,0,1]=4 366 B9R0.2 C=COCCNCC(C)O 2230a_100000210904_100000039644 [0,0,0,0,0,0|2,0,2]=4 367 B9R0.2 C=COCCNCC(C)O 34a_100000210904_100000039644 [0,0,0,0,0,0|2,0,2]=4 368 B9R0.2 C=COCCOCC(=C)C 34a_100000033082_100000748629 [0,0,0,0,0,0|3,0,0]=3 369 B9R0.2 C=COCCOCC(=C)C 34a_100000210245_100000039644 [0,0,0,0,0,0|3,0,0]=3 370 B9R0.2 C=COCCOCC(=C)F 34a_100000033082_100009893438 [0,0,0,0,0,0|3,0,1]=4 371 B9R0.2 C=COCCOCC(=C)F 34a_200010262243_100000039644 [0,0,0,0,0,0|3,0,1]=4 372 B9R0.2 C=COCCOCC(=O)C 34a_100000211253_100000039644 [0,0,0,0,0,0|2,0,0]=2 373 B9R0.2 C=COCCOCC(=O)N 34a_100000033082_100000187820 [0,0,0,0,0,0|3,0,0]=3 374 B9R0.2 C=COCCOCC(=O)[O-] 34a_100000033082_100020667443 [0,0,0,0,0,0|3,0,0]=3 375 B9R0.2 C=COCCOCC(C)Br 34a_100012180447_100000039644 [0,0,0,0,0,0|3,0,1]=4 376 B9R0.2 C=COCCOCC(C)C 34a_100000033082_100000210624 [0,0,0,0,0,0|3,0,1]=4 377 B9R0.2 C=COCCOCC(C)C 34a_100000210257_100000039644 [0,0,0,0,0,0|3,0,1]=4 378 B9R0.2 C=COCCOCC(C)F 34a_100015925927_100000039644 [0,0,0,0,0,0|3,0,1]=4 379 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,0,0,0,0,0|2,0,2]=4 380 B9R0.2 C=COCCOC[C@@H](C)Cl 34a_100016084084_100000039644 [0,0,0,0,0,0|3,0,1]=4 381 B9R0.2 C=COCCOC[C@@H](C)N 34a_100000737577_100000039644 [0,0,0,0,0,0|3,0,1]=4 382 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,0,0,0,0,0|2,0,2]=4 383 B9R0.2 C=COCCOC[N+](=O)[O-] 34a_100000033082_100000761209 [0,0,0,0,0,0|4,0,0]=4 384 B9R0.2 C=COCCSCC(=C)C 62a_100000039644_100000211660 [0,0,0,0,0,0|3,0,0]=3 385 B9R0.2 C=COCCSCC(=C)C 62a_100000748629_100000039644 [0,0,0,0,0,0|3,0,0]=3 386 B9R0.2 C=COCCSCC(=C)F 62a_100000039644_100000042424 [0,0,0,0,0,0|3,0,1]=4 387 B9R0.2 C=COCCSCC(=C)F 62a_100000042424_100000039644 [0,0,0,0,0,0|3,0,1]=4 388 B9R0.2 C=COCCSCC(=O)N 62a_100000039644_100000747473 [0,0,0,0,0,0|3,0,0]=3 389 B9R0.2 C=COCCSCC(=O)N 62a_100000747473_100000039644 [0,0,0,0,0,0|3,0,0]=3 390 B9R0.2 C=COCCSCC(=O)[O-] 62a_100000039644_100020667443 [0,0,0,0,0,0|3,0,0]=3 391 B9R0.2 C=COCCSCC(=O)[O-] 62a_100020667443_100000039644 [0,0,0,0,0,0|3,0,0]=3 392 B9R0.2 C=COCCSCC(C)C 62a_100000039644_100000210760 [0,0,0,0,0,0|3,0,1]=4 393 B9R0.2 C=COCCSCC(C)C 62a_100000210624_100000039644 [0,0,0,0,0,0|3,0,1]=4 394 B9R0.2 C=COCCSCC(C)O 62a_100000039644_100011218427 [0,0,0,0,0,0|2,0,2]=4 395 B9R0.2 C=COCCSCC(C)O 62a_100011218427_100000039644 [0,0,0,0,0,0|2,0,2]=4 396 B9R0.2 C=COCCSC[C@@H](C)O 62a_100000039644_100009817552 [0,0,0,0,0,0|2,0,2]=4 397 B9R0.2 C=COCCSC[C@@H](C)O 62a_100009817552_100000039644 [0,0,0,0,0,0|2,0,2]=4 398 B9R0.2 C=COCCSC[N+](=O)[O-] 62a_100000039644_100000761209 [0,0,0,0,0,0|4,0,0]=4 399 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [0,0,0,0,0,0|1,0,3]=4 400 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [0,0,0,0,0,0|1,0,3]=4 401 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [0,0,0,0,0,0|1,0,3]=4 402 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [0,0,0,0,0,0|1,0,3]=4 403 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [0,0,0,0,0,0|3,0,1]=4 404 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [0,0,0,0,0,0|3,0,1]=4 405 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,0,0,0,0,0|1,0,1]=2 406 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,0,0,0,0|1,0,1]=2 407 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,0,0,0,0|1,0,1]=2 408 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,0,0,0,0|1,0,1]=2 409 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,0,0,0,0,0|3,0,0]=3 410 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,0,0,0,0|2,0,1]=3 411 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,0,0,0,0|2,0,1]=3 412 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,0,0,0,0,0|2,0,1]=3 413 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,0,0,0,0,0|2,0,1]=3 414 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,0,0,0,0,0|2,0,1]=3 415 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,0,0,0,0,0|2,0,0]=2 416 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,0,0,0,0,0|2,0,0]=2 417 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,0,0,0,0,0|2,0,1]=3 418 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,0,0,0,0,0|2,0,1]=3 419 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,0,0,0,0,0|2,0,1]=3 420 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,0,0,0,0,0|2,0,1]=3 421 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,0,0,0,0,0|2,0,1]=3 422 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,0,0,0,0,0|2,0,1]=3 423 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,0,0,0,0,0|2,0,1]=3 424 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,0,0,0,0,0|2,0,1]=3 425 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,0,0,0,0,0|2,0,0]=2 426 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,0,0,0,0,0|2,0,0]=2 427 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,0,0,0,0,0|2,0,1]=3 428 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,0,0,0,0,0|2,0,1]=3 429 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,0,0,0,0,0|2,0,1]=3 430 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,0,0,0,0,0|2,0,1]=3 431 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,0,0,0,0,0|2,0,1]=3 432 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,0,0,0,0,0|2,0,1]=3 433 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,0,0,0,0,0|2,0,1]=3 434 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,0,0,0,0,0|2,0,1]=3 435 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,0,0,0,0,0|2,0,1]=3 436 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,0,0,0,0,0|2,0,1]=3 437 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,0,0,0,0,0|2,0,1]=3 438 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,0,0,0,0,0|2,0,1]=3 439 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,0,0,0,0,0|2,0,1]=3 440 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,0,0,0,0,0|2,0,1]=3 441 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,0,0,0,0,0|2,0,1]=3 442 B9R0.2 CC(=O)CCSCSC#N 62a_100000053229_100000211825 [0,0,0,0,0,0|3,0,1]=4 443 B9R0.2 CC(=O)CCSCSC#N 62a_100000211825_100000053229 [0,0,0,0,0,0|3,0,1]=4 444 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,0,0,0,0,0|2,0,1]=3 445 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,0,0,0,0,0|2,0,1]=3 446 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,0,0,0,0,0|2,0,1]=3 447 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,0,0,0,0,0|2,0,1]=3 448 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,0,0,0,0,0|2,0,1]=3 449 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,0,0,0,0,0|2,0,1]=3 450 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,0,0,0,0|2,0,1]=3 451 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,0,0,0,0|2,0,1]=3 452 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,0,0,0,0|2,0,1]=3 453 B9R0.2 CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100015343762 [0,0,0,0,0,0|4,0,0]=4 454 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,0,0,0,0,0|3,0,1]=4 455 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,0,0,0,0,0|3,0,1]=4 456 B9R0.2 CC(=O)NCCNCC#N 2230a_100000209853_100011215382 [0,0,0,0,0,0|3,0,1]=4 457 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [0,0,0,0,0,0|3,0,0]=3 458 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,0,0,0,0,0|3,0,1]=4 459 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,0,0,0,0,0|3,0,1]=4 460 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,0,0,0,0,0|3,0,1]=4 461 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,0,0,0,0,0|3,0,0]=3 462 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,0,0,0,0,0|3,0,1]=4 463 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,0,0,0,0,0|3,0,1]=4 464 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,0,0,0,0,0|3,0,1]=4 465 B9R0.2 CC(=O)NCCSCC#N 62a_100000189650_100011215382 [0,0,0,0,0,0|3,0,1]=4 466 B9R0.2 CC(=O)NCCSCC#N 62a_100011215382_100000189650 [0,0,0,0,0,0|3,0,1]=4 467 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [0,0,0,0,0,0|3,0,0]=3 468 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [0,0,0,0,0,0|3,0,0]=3 469 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,0,0,0,0,0|3,0,1]=4 470 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,0,0,0,0,0|3,0,1]=4 471 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,0,0,0,0,0|3,0,1]=4 472 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,0,0,0,0,0|3,0,1]=4 473 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,0,0,0,0,0|3,0,1]=4 474 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,0,0,0,0,0|3,0,1]=4 475 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,0,0,0,0|2,0,1]=3 476 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,0,0,0,0|2,0,1]=3 477 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,0,0,0,0|2,0,1]=3 478 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,0,0,0,0|2,0,1]=3 479 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,0,0,0,0,0|3,0,1]=4 480 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,0,0,0,0,0|3,0,1]=4 481 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,0,0,0,0,0|3,0,1]=4 482 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,0,0,0,0,0|3,0,1]=4 483 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,0,0,0,0,0|3,0,1]=4 484 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,0,0,0,0,0|3,0,1]=4 485 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,0,0,0,0,0|3,0,1]=4 486 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,0,0,0,0,0|3,0,1]=4 487 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,0,0,0,0,0|3,0,1]=4 488 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,0,0,0,0,0|3,0,1]=4 489 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,0,0,0,0,0|3,0,0]=3 490 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,0,0,0,0,0|3,0,0]=3 491 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,0,0,0,0,0|3,0,1]=4 492 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,0,0,0,0,0|3,0,1]=4 493 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,0,0,0,0,0|3,0,1]=4 494 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,0,0,0,0,0|3,0,1]=4 495 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,0,0,0,0,0|3,0,1]=4 496 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,0,0,0,0,0|3,0,1]=4 497 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,0,0,0,0,0|3,0,1]=4 498 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,0,0,0,0,0|3,0,1]=4 499 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,0,0,0,0,0|3,0,1]=4 500 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,0,0,0,0,0|4,0,0]=4 501 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [0,0,0,0,0,0|3,0,1]=4 502 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [0,0,0,0,0,0|3,0,1]=4 503 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,0,0,0,0,0|3,0,1]=4 504 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,0,0,0,0,0|3,0,1]=4 505 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,0,0,0,0,0|3,0,1]=4 506 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,0,0,0,0,0|3,0,1]=4 507 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,0,0,0,0|2,0,1]=3 508 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,0,0,0,0|2,0,1]=3 509 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,0,0,0,0,0|3,0,1]=4 510 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,0,0,0,0,0|3,0,1]=4 511 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,0,0,0,0,0|2,0,2]=4 512 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,0,0,0,0,0|2,0,2]=4 513 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,0,0,0,0,0|2,0,2]=4 514 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,0,0,0,0,0|2,0,2]=4 515 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,0,0,0,0,0|2,0,2]=4 516 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,0,0,0,0,0|2,0,2]=4 517 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,0,0,0,0,0|3,0,1]=4 518 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,0,0,0,0,0|3,0,1]=4 519 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,0,0,0,0,0|3,0,1]=4 520 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,0,0,0,0,0|3,0,1]=4 521 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,0,0,0,0,0|3,0,1]=4 522 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,0,0,0,0,0|3,0,1]=4 523 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,0,0,0,0,0|3,0,1]=4 524 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,0,0,0,0,0|3,0,1]=4 525 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,0,0,0,0,0|3,0,1]=4 526 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,0,0,0,0,0|3,0,1]=4 527 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,0,0,0,0,0|3,0,1]=4 528 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,0,0,0,0,0|3,0,1]=4 529 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,0,0,0,0,0|2,0,2]=4 530 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,0,0,0,0,0|2,0,2]=4 531 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,0,0,0,0,0|2,0,2]=4 532 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,0,0,0,0,0|2,0,2]=4 533 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,0,0,0,0,0|2,0,2]=4 534 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,0,0,0,0,0|1,0,2]=3 535 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,0,0,0,0,0|1,0,2]=3 536 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [0,0,0,0,0,0|2,0,2]=4 537 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [0,0,0,0,0,0|2,0,2]=4 538 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,0,0,0,0,0|1,0,2]=3 539 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,0,0,0,0,0|1,0,2]=3 540 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,0,0,0,0,0|2,0,2]=4 541 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,0,0,0,0,0|2,0,2]=4 542 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,0,0,0,0,0|2,0,2]=4 543 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,0,0,0,0,0|2,0,2]=4 544 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,0,0,0,0,0|0,0,4]=4 545 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,0,0,0,0,0|0,0,4]=4 546 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,0,0,0,0|0,0,4]=4 547 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,0,0,0,0|0,0,4]=4 548 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,0,0,0,0|0,0,4]=4 549 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,0,0,0,0|0,0,4]=4 550 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,0,0,0,0|0,0,2]=2 551 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,0,0,0,0|0,0,2]=2 552 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,0,0,0,0|0,0,2]=2 553 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,0,0,0,0,0|2,0,2]=4 554 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,0,0,0,0,0|2,0,2]=4 555 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,0,0,0,0,0|2,0,2]=4 556 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,0,0,0,0,0|2,0,2]=4 557 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,0,0,0,0,0|2,0,2]=4 558 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,0,0,0,0,0|2,0,2]=4 559 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 560 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 561 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 562 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,0,0,0,0|1,0,2]=3 563 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,0,0,0,0,0|2,0,2]=4 564 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,0,0,0,0,0|2,0,2]=4 565 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,0,0,0,0,0|2,0,2]=4 566 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,0,0,0,0|2,0,2]=4 567 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,0,0,0,0|1,0,2]=3 568 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,0,0,0,0,0|2,0,2]=4 569 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,0,0,0,0,0|2,0,2]=4 570 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,0,0,0,0,0|2,0,2]=4 571 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,0,0,0,0,0|2,0,2]=4 572 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,0,0,0,0,0|2,0,2]=4 573 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,0,0,0,0,0|2,0,2]=4 574 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,0,0,0,0,0|2,0,2]=4 575 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,0,0,0,0|1,0,2]=3 576 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,0,0,0,0,0|2,0,2]=4 577 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,0,0,0,0,0|2,0,2]=4 578 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,0,0,0,0|1,0,2]=3 579 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,0,0,0,0|1,0,2]=3 580 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,0,0,0,0|1,0,2]=3 581 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,0,0,0,0|1,0,2]=3 582 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,0,0,0,0,0|2,0,2]=4 583 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,0,0,0,0,0|2,0,2]=4 584 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,0,0,0,0,0|2,0,2]=4 585 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,0,0,0,0,0|2,0,2]=4 586 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,0,0,0,0|2,0,2]=4 587 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,0,0,0,0|1,0,2]=3 588 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,0,0,0,0|1,0,2]=3 589 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,0,0,0,0,0|2,0,2]=4 590 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,0,0,0,0,0|2,0,2]=4 591 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,0,0,0,0|2,0,2]=4 592 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,0,0,0,0|2,0,2]=4 593 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,0,0,0,0|2,0,2]=4 594 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,0,0,0,0|2,0,2]=4 595 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,0,0,0,0|2,0,2]=4 596 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,0,0,0,0|1,0,2]=3 597 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,0,0,0,0|1,0,2]=3 598 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,0,0,0,0|1,0,2]=3 599 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,0,0,0,0|2,0,2]=4 600 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,0,0,0,0|2,0,2]=4 601 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,0,0,0,0|2,0,2]=4 602 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,0,0,0,0|2,0,2]=4 603 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,0,0,0,0|2,0,2]=4 604 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,0,0,0,0|2,0,2]=4 605 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,0,0,0,0|1,0,2]=3 606 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,0,0,0,0|1,0,2]=3 607 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,0,0,0,0|2,0,2]=4 608 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,0,0,0,0|2,0,2]=4 609 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,0,0,0,0|2,0,2]=4 610 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,0,0,0,0|2,0,2]=4 611 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,0,0,0,0|2,0,2]=4 612 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,0,0,0,0|2,0,2]=4 613 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,0,0,0,0|2,0,2]=4 614 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,0,0,0,0|2,0,2]=4 615 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,0,0,0,0|2,0,2]=4 616 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,0,0,0,0,0|2,0,2]=4 617 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,0,0,0,0|2,0,2]=4 618 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,0,0,0,0|2,0,2]=4 619 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,0,0,0,0|1,0,2]=3 620 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,0,0,0,0,0|2,0,2]=4 621 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,0,0,0,0,0|2,0,2]=4 622 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 623 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 624 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 625 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,0,0,0,0|2,0,2]=4 626 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,0,0,0,0|2,0,2]=4 627 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,0,0,0,0|2,0,2]=4 628 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,0,0,0,0|2,0,2]=4 629 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,0,0,0,0,0|2,0,2]=4 630 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,0,0,0,0,0|2,0,2]=4 631 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,0,0,0,0,0|2,0,2]=4 632 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,0,0,0,0|1,0,2]=3 633 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,0,0,0,0|1,0,2]=3 634 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,0,0,0,0|2,0,2]=4 635 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,0,0,0,0|2,0,2]=4 636 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,0,0,0,0|2,0,2]=4 637 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,0,0,0,0|2,0,2]=4 638 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,0,0,0,0,0|2,0,2]=4 639 B9R0.2 CN(C)CCCCCC#N 2230a_100102631434_100009813376 [0,0,0,0,0,0|3,0,1]=4 640 B9R0.2 CN(C)CCCCCC#N 269982a_100102631434_100009813376 [0,0,0,0,0,0|3,0,1]=4 641 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,0,0,0,0,0|3,0,0]=3 642 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,0,0,0,0,0|3,0,0]=3 643 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,0,0,0,0,0|3,0,1]=4 644 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,0,0,0,0,0|3,0,1]=4 645 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,0,0,0,0,0|3,0,1]=4 646 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,0,0,0,0,0|3,0,1]=4 647 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [0,0,0,0,0,0|4,0,0]=4 648 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,0,0,0,0,0|2,0,1]=3 649 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,0,0,0,0,0|2,0,1]=3 650 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,0,0,0,0,0|2,0,1]=3 651 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,0,0,0,0,0|2,0,2]=4 652 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,0,0,0,0,0|2,0,2]=4 653 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,0,0,0,0,0|2,0,2]=4 654 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,0,0,0,0,0|2,0,2]=4 655 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,0,0,0,0,0|2,0,2]=4 656 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,0,0,0,0|2,0,1]=3 657 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,0,0,0,0|2,0,1]=3 658 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,0,0,0,0|2,0,1]=3 659 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,0,0,0,0|2,0,1]=3 660 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,0,0,0,0|2,0,1]=3 661 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,0,0,0,0|2,0,1]=3 662 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,0,0,0,0|2,0,1]=3 663 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,0,0,0,0,0|3,0,1]=4 664 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,0,0,0,0,0|3,0,1]=4 665 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,0,0,0,0,0|3,0,1]=4 666 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,0,0,0,0|1,0,1]=2 667 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,0,0,0,0,0|2,0,1]=3 668 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,0,0,0,0,0|2,0,1]=3 669 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,0,0,0,0,0|2,0,1]=3 670 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,0,0,0,0|1,0,1]=2 671 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,0,0,0,0,0|2,0,1]=3 672 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,0,0,0,0,0|2,0,2]=4 673 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,0,0,0,0,0|2,0,2]=4 674 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,0,0,0,0,0|2,0,2]=4 675 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,0,0,0,0|2,0,1]=3 676 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,0,0,0,0|2,0,1]=3 677 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,0,0,0,0|2,0,1]=3 678 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,0,0,0,0|2,0,1]=3 679 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,0,0,0,0,0|3,0,1]=4 680 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,0,0,0,0,0|3,0,1]=4 681 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,0,0,0,0,0|3,0,1]=4 682 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,0,0,0,0,0|3,0,1]=4 683 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,0,0,0,0,0|3,0,1]=4 684 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,0,0,0,0,0|2,0,1]=3 685 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,0,0,0,0,0|3,0,1]=4 686 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,0,0,0,0,0|3,0,1]=4 687 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,0,0,0,0,0|3,0,1]=4 688 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,0,0,0,0,0|3,0,1]=4 689 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,0,0,0,0,0|3,0,1]=4 690 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,0,0,0,0,0|3,0,1]=4 691 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,0,0,0,0,0|3,0,1]=4 692 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,0,0,0,0,0|2,0,1]=3 693 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,0,0,0,0,0|2,0,1]=3 694 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,0,0,0,0,0|2,0,1]=3 695 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,0,0,0,0,0|2,0,1]=3 696 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,0,0,0,0,0|3,0,1]=4 697 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,0,0,0,0,0|3,0,1]=4 698 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,0,0,0,0,0|3,0,1]=4 699 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,0,0,0,0,0|2,0,1]=3 700 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,0,0,0,0,0|3,0,1]=4 701 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,0,0,0,0,0|2,0,1]=3 702 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,0,0,0,0,0|2,0,1]=3 703 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,0,0,0,0,0|3,0,1]=4 704 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,0,0,0,0,0|3,0,1]=4 705 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,0,0,0,0,0|3,0,1]=4 706 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,0,0,0,0,0|3,0,1]=4 707 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,0,0,0,0,0|3,0,1]=4 708 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,0,0,0,0,0|3,0,1]=4 709 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,0,0,0,0,0|3,0,1]=4 710 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,0,0,0,0,0|2,0,1]=3 711 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,0,0,0,0,0|2,0,1]=3 712 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,0,0,0,0,0|3,0,1]=4 713 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,0,0,0,0,0|3,0,1]=4 714 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,0,0,0,0,0|3,0,1]=4 715 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,0,0,0,0,0|3,0,1]=4 716 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,0,0,0,0,0|3,0,1]=4 717 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,0,0,0,0,0|3,0,1]=4 718 B9R0.2 CS(=O)CCCNCC#N 2230a_200000753449_100011215382 [0,0,0,0,0,0|3,0,1]=4 719 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [0,0,0,0,0,0|3,0,0]=3 720 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,0,0,0,0,0|3,0,1]=4 721 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,0,0,0,0,0|3,0,1]=4 722 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,0,0,0,0,0|2,0,1]=3 723 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,0,0,0,0,0|2,0,1]=3 724 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,0,0,0,0,0|2,0,2]=4 725 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,0,0,0,0,0|2,0,2]=4 726 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,0,0,0,0|2,0,1]=3 727 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,0,0,0,0|2,0,1]=3 728 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,0,0,0,0|2,0,1]=3 729 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,0,0,0,0|2,0,1]=3 730 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,0,0,0,0,0|3,0,1]=4 731 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,0,0,0,0,0|3,0,1]=4 732 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,0,0,0,0,0|3,0,1]=4 733 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,0,0,0,0,0|3,0,1]=4 734 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,0,0,0,0,0|3,0,1]=4 735 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,0,0,0,0,0|2,0,1]=3 736 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,0,0,0,0,0|2,0,1]=3 737 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,0,0,0,0,0|2,0,1]=3 738 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,0,0,0,0,0|3,0,1]=4 739 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,0,0,0,0,0|3,0,1]=4 740 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,0,0,0,0,0|3,0,1]=4 741 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,0,0,0,0,0|3,0,1]=4 742 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,0,0,0,0,0|3,0,1]=4 743 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,0,0,0,0,0|2,0,1]=3 744 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,0,0,0,0,0|2,0,1]=3 745 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,0,0,0,0,0|3,0,1]=4 746 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,0,0,0,0,0|3,0,1]=4 747 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,0,0,0,0,0|3,0,1]=4 748 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,0,0,0,0,0|3,0,1]=4 749 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,0,0,0,0,0|3,0,1]=4 750 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,0,0,0,0,0|3,0,1]=4 751 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,0,0,0,0,0|3,0,1]=4 752 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,0,0,0,0,0|2,0,1]=3 753 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,0,0,0,0,0|3,0,1]=4 754 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,0,0,0,0,0|3,0,1]=4 755 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,0,0,0,0,0|3,0,1]=4 756 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,0,0,0,0,0|2,0,1]=3 757 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,0,0,0,0,0|2,0,1]=3 758 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,0,0,0,0,0|3,0,1]=4 759 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,0,0,0,0,0|3,0,1]=4 760 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,0,0,0,0,0|3,0,1]=4 761 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,0,0,0,0,0|3,0,1]=4 762 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,0,0,0,0,0|3,0,1]=4 763 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,0,0,0,0,0|3,0,1]=4 764 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,0,0,0,0,0|2,0,2]=4 765 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,0,0,0,0,0|2,0,2]=4 766 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [0,0,0,0,0,0|3,0,1]=4 767 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,0,0,0,0,0|3,0,1]=4 768 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [0,0,0,0,0,0|3,0,1]=4 769 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [0,0,0,0,0,0|3,0,1]=4 770 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100000687738_100020667443 [0,0,0,0,0,0|3,0,1]=4 771 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100020667443_100000687738 [0,0,0,0,0,0|3,0,1]=4 772 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [0,0,0,0,0,0|3,0,1]=4 773 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [0,0,0,0,0,0|3,0,1]=4 774 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [0,0,0,0,0,0|3,0,1]=4 775 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [0,0,0,0,0,0|3,0,1]=4 776 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [0,0,0,0,0,0|3,0,1]=4 777 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,0,0,0,0,0|3,0,1]=4 778 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,0,0,0,0,0|3,0,1]=4 779 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,0,0,0,0,0|3,0,1]=4 780 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,0,0,0,0,0|3,0,0]=3 781 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,0,0,0,0,0|3,0,1]=4 782 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,0,0,0,0,0|3,0,1]=4 783 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,0,0,0,0,0|3,0,1]=4 784 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,0,0,0,0,0|3,0,1]=4 785 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,0,0,0,0,0|3,0,1]=4 786 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,0,0,0,0,0|3,0,0]=3 787 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,0,0,0,0,0|3,0,0]=3 788 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,0,0,0,0,0|3,0,1]=4 789 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,0,0,0,0,0|3,0,1]=4 790 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,0,0,0,0,0|3,0,1]=4 791 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,0,0,0,0,0|3,0,1]=4 792 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,0,0,0,0,0|3,0,1]=4 793 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,0,0,0,0,0|3,0,1]=4 794 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,0,0,0,0,0|3,0,1]=4 795 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,0,0,0,0,0|3,0,1]=4 796 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,0,0,0,0,0|3,0,1]=4 797 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,0,0,0,0,0|3,0,1]=4 798 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,0,0,0,0,0|3,0,1]=4 799 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,0,0,0,0,0|3,0,1]=4 800 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,0,0,0,0,0|3,0,1]=4 801 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,0,0,0,0,0|3,0,1]=4 802 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,0,0,0,0,0|3,0,1]=4 803 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,0,0,0,0,0|3,0,1]=4 804 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,0,0,0,0,0|3,0,1]=4 805 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,0,0,0,0,0|3,0,0]=3 806 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,0,0,0,0,0|3,0,1]=4 807 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,0,0,0,0,0|3,0,1]=4 808 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,0,0,0,0,0|3,0,1]=4 809 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,0,0,0,0,0|3,0,1]=4 810 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,0,0,0,0,0|3,0,1]=4 811 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,0,0,0,0,0|3,0,1]=4 812 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,0,0,0,0,0|3,0,1]=4 813 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,0,0,0,0,0|3,0,1]=4 814 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,0,0,0,0,0|3,0,1]=4 815 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,0,0,0,0,0|3,0,1]=4 816 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,0,0,0,0,0|3,0,0]=3 817 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,0,0,0,0,0|3,0,0]=3 818 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,0,0,0,0,0|3,0,1]=4 819 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,0,0,0,0,0|3,0,1]=4 820 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,0,0,0,0,0|3,0,1]=4 821 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,0,0,0,0,0|3,0,1]=4 822 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [0,0,0,0,0,0|4,0,0]=4 823 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [0,0,0,0,0,0|4,0,0]=4 824 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [0,0,0,0,0,0|4,0,0]=4 825 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [0,0,0,0,0,0|4,0,0]=4 826 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [0,0,0,0,0,0|4,0,0]=4 827 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [0,0,0,0,0,0|4,0,0]=4 828 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [0,0,0,0,0,0|4,0,0]=4 829 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,0,0,0,0,0|3,0,1]=4 830 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,0,0,0,0,0|3,0,1]=4 831 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,0,0,0,0,0|3,0,1]=4 832 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,0,0,0,0,0|3,0,1]=4 833 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,0,0,0,0,0|4,0,0]=4 834 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,0,0,0,0,0|3,0,1]=4 835 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,0,0,0,0,0|3,0,1]=4 836 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,0,0,0,0,0|3,0,1]=4 837 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,0,0,0,0,0|3,0,1]=4 838 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,0,0,0,0,0|3,0,1]=4 839 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,0,0,0,0,0|3,0,1]=4 840 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,0,0,0,0,0|3,0,1]=4 841 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,0,0,0,0,0|3,0,1]=4 842 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,0,0,0,0,0|3,0,1]=4 843 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,0,0,0,0,0|3,0,1]=4 844 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,0,0,0,0,0|3,0,1]=4 845 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,0,0,0,0,0|3,0,0]=3 846 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,0,0,0,0,0|3,0,0]=3 847 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,0,0,0,0,0|3,0,0]=3 848 B9R0.2 O=CCCCSC[N+](=O)[O-] 62a_200011292268_100000761209 [0,0,0,0,0,0|4,0,0]=4 849 B9R0.2 O=CCOCCC[N+](=O)[O-] 34a_200000037920_200009817547 [0,0,0,0,0,0|4,0,0]=4 850 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,0,0,0,0|1,0,1]=2 851 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,0,0,0,0,0|3,0,0]=3 852 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,0,0,0,0,0|2,0,1]=3 853 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,0,0,0,0,0|2,0,1]=3 854 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,0,0,0,0,0|2,0,1]=3 855 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,0,0,0,0,0|2,0,1]=3 856 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,0,0,0,0,0|2,0,1]=3 857 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 858 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,0,0,0,0,0|1,0,2]=4 859 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,0,0,0,0,0|1,0,2]=4 860 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 861 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,0,0,0,0,0|1,0,2]=4 862 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,0,0,0,0,0|1,0,2]=4 863 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 864 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,0,0,0,0,0|1,0,2]=4 865 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,0,0,0,0,0|1,0,2]=4 866 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,0,0,0,0,0|1,0,2]=4 867 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,0,0,0,0,0|1,0,2]=4 868 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,0,0,0,0,0|1,0,2]=4 869 B8R0.4 C#CCCCNCC=C 2230a_100020586998_100000731252 [1,0,0,0,0,0|1,0,2]=4 870 B8R0.4 C#CCCCNCC=C 34a_100000718082_100015514636 [1,0,0,0,0,0|1,0,2]=4 871 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [1,0,0,0,0,0|1,0,2]=4 872 B8R0.4 C#CCCCOCC=C 34a_100000215630_100015514636 [1,0,0,0,0,0|1,0,2]=4 873 B8R0.4 C#CCCCOCC=C 34a_200000210373_100000695029 [1,0,0,0,0,0|1,0,2]=4 874 B8R0.4 C#CCCCOCC=C 7a_100000215630_100015514636 [1,0,0,0,0,0|1,0,2]=4 875 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,0,0,0,0,0|1,0,2]=4 876 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,0,0,0,0,0|1,0,2]=4 877 B8R0.4 C#CCCCSCC=C 62a_100000210623_100011215417 [1,0,0,0,0,0|1,0,2]=4 878 B8R0.4 C#CCCCSCC=C 62a_100011215417_100000210623 [1,0,0,0,0,0|1,0,2]=4 879 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [1,0,0,0,0,0|1,0,2]=4 880 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [1,0,0,0,0,0|1,0,2]=4 881 B8R0.4 C#CCCNCCC=C 2230a_100015191253_100000688953 [1,0,0,0,0,0|1,0,2]=4 882 B8R0.4 C#CCCNCCC=C 34a_100000755551_100000754431 [1,0,0,0,0,0|1,0,2]=4 883 B8R0.4 C#CCCOCCC=C 34a_100011205117_100000688953 [1,0,0,0,0,0|1,0,2]=4 884 B8R0.4 C#CCCOCCC=C 34a_100011215631_100000754431 [1,0,0,0,0,0|1,0,2]=4 885 B8R0.4 C#CCCSCCC=C 62a_100000688953_100000754431 [1,0,0,0,0,0|1,0,2]=4 886 B8R0.4 C#CCCSCCC=C 62a_100000754431_100000688953 [1,0,0,0,0,0|1,0,2]=4 887 B8R0.4 C#CCNCCCC=C 2230a_100000700776_100000038162 [1,0,0,0,0,0|1,0,2]=4 888 B8R0.4 C#CCNCCCC=C 34a_100000212058_100000757094 [1,0,0,0,0,0|1,0,2]=4 889 B8R0.4 C#CCNCCCC=C 34a_100000700776_100000184674 [1,0,0,0,0,0|1,0,2]=4 890 B8R0.4 C#CCOCCCC=C 34a_100000210247_100000757094 [1,0,0,0,0,0|1,0,2]=4 891 B8R0.4 C#CCOCCCC=C 34a_100000758997_100000184674 [1,0,0,0,0,0|1,0,2]=4 892 B8R0.4 C#CCOCCCC=C 7a_100000758997_100000038162 [1,0,0,0,0,0|1,0,2]=4 893 B8R0.4 C#CCSCCCC=C 62a_100000038162_100000757094 [1,0,0,0,0,0|1,0,2]=4 894 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [1,0,0,0,0,0|1,0,2]=4 895 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,0,0,0,0,0|1,0,2]=4 896 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|1,0,0]=2 897 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|1,0,0]=2 898 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|1,0,0]=2 899 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|1,0,0]=2 900 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|1,0,0]=2 901 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|1,0,0]=2 902 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|1,0,0]=2 903 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|1,0,0]=2 904 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|1,0,0]=2 905 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|1,0,0]=2 906 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|1,0,0]=2 907 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|1,0,0]=2 908 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|1,0,1]=3 909 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|1,0,1]=3 910 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|1,0,1]=3 911 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,0,0,0,0,0|2,0,1]=4 912 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|1,0,1]=3 913 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|1,0,1]=3 914 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|1,0,1]=3 915 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,0,0,0,0,0|2,0,1]=4 916 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,0,0,0,0,0|2,0,1]=4 917 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|1,0,1]=3 918 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|1,0,1]=3 919 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,0,0,0,0,0|2,0,1]=4 920 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,0,0,0,0,0|2,0,1]=4 921 B8R0.4 C=CCCCNCC#N 2230a_100000700776_100011215382 [1,0,0,0,0,0|2,0,1]=4 922 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [1,0,0,0,0,0|1,0,1]=3 923 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [1,0,0,0,0,0|1,0,1]=3 924 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [1,0,0,0,0,0|1,0,1]=3 925 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,0,0,0,0,0|1,0,0]=2 926 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,0,0,0,0,0|1,0,0]=2 927 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|1,0,1]=3 928 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|1,0,1]=3 929 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,0,0,0,0,0|2,0,1]=4 930 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,0,0,0,0,0|2,0,1]=4 931 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,0,0,0,0,0|2,0,1]=4 932 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 933 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|1,0,2]=4 934 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 935 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|1,0,2]=4 936 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,0,0,0,0,0|2,0,0]=3 937 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,0,0,0,0,0|2,0,0]=3 938 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,0,0,0,0,0|2,0,0]=3 939 B8R0.4 C=CCCCOCC#N 7a_100000758997_100011215382 [1,0,0,0,0,0|2,0,1]=4 940 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [1,0,0,0,0,0|1,0,1]=3 941 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [1,0,0,0,0,0|1,0,1]=3 942 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [1,0,0,0,0,0|1,0,1]=3 943 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,0,0,0,0,0|1,0,0]=2 944 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,0,0,0,0,0|1,0,0]=2 945 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,0,0,0,0,0|2,0,1]=4 946 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|1,0,1]=3 947 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|1,0,1]=3 948 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|1,0,1]=3 949 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,0,0,0,0,0|2,0,1]=4 950 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,0,0,0,0,0|2,0,1]=4 951 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,0,0,0,0,0|2,0,1]=4 952 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 953 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 954 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,0,0,0,0,0|2,0,0]=3 955 B8R0.4 C=CCCCSCC#N 62a_100011215382_100000757094 [1,0,0,0,0,0|2,0,1]=4 956 B8R0.4 C=CCCCSCC#N 62a_100011713584_100011215382 [1,0,0,0,0,0|2,0,1]=4 957 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [1,0,0,0,0,0|1,0,1]=3 958 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [1,0,0,0,0,0|1,0,1]=3 959 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,0,0,0,0,0|1,0,0]=2 960 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,0,0,0,0,0|1,0,0]=2 961 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|1,0,1]=3 962 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|1,0,1]=3 963 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,0,0,0,0,0|2,0,1]=4 964 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,0,0,0,0,0|2,0,1]=4 965 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|1,0,2]=4 966 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|1,0,2]=4 967 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,0,0,0,0,0|2,0,0]=3 968 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,0,0,0,0,0|2,0,0]=3 969 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,0,0,0,0,0|2,0,0]=3 970 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,0,0,0,0,0|2,0,0]=3 971 B8R0.4 C=CCCNCC#CC 2230a_100000685387_100000754431 [1,0,0,0,0,0|1,0,2]=4 972 B8R0.4 C=CCCNCC#CC 2230a_100015191253_100000748600 [1,0,0,0,0,0|1,0,2]=4 973 B8R0.4 C=CCCNCC#CC 34a_100000685387_100000754431 [1,0,0,0,0,0|1,0,2]=4 974 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [1,0,0,0,0,0|1,0,1]=3 975 B8R0.4 C=CCCNCCC#N 2230a_100015191253_100011215226 [1,0,0,0,0,0|2,0,1]=4 976 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [1,0,0,0,0,0|1,0,1]=3 977 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|1,0,1]=3 978 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|1,0,1]=3 979 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|1,0,1]=3 980 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,0,0,0,0,0|2,0,1]=4 981 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,0,0,0,0,0|2,0,1]=4 982 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,0,0,0,0,0|2,0,1]=4 983 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,0,0,0,0|1,0,2]=4 984 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,0,0,0,0,0|2,0,0]=3 985 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,0,0,0,0,0|2,0,0]=3 986 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,0,0,0,0,0|2,0,0]=3 987 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,0,0,0,0,0|2,0,0]=3 988 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [1,0,0,0,0,0|1,0,1]=3 989 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [1,0,0,0,0,0|1,0,1]=3 990 B8R0.4 C=CCCOCC#CC 34a_100000761923_100000754431 [1,0,0,0,0,0|1,0,2]=4 991 B8R0.4 C=CCCOCC#CC 34a_100011205117_100000748600 [1,0,0,0,0,0|1,0,2]=4 992 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [1,0,0,0,0,0|1,0,1]=3 993 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [1,0,0,0,0,0|1,0,1]=3 994 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,0,0,0,0,0|2,0,1]=4 995 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|1,0,1]=3 996 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|1,0,1]=3 997 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|1,0,1]=3 998 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,0,0,0,0,0|2,0,1]=4 999 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,0,0,0,0,0|2,0,1]=4 1000 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,0,0,0,0,0|2,0,1]=4 1001 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,0,0,0,0,0|2,0,1]=4 1002 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|1,0,2]=4 1003 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,0,0,0,0,0|2,0,0]=3 1004 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,0,0,0,0,0|2,0,0]=3 1005 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [1,0,0,0,0,0|3,0,0]=4 1006 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,0,0,0,0,0|2,0,0]=3 1007 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,0,0,0,0,0|2,0,0]=3 1008 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,0,0,0,0,0|2,0,0]=3 1009 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [1,0,0,0,0,0|1,0,1]=3 1010 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [1,0,0,0,0,0|1,0,1]=3 1011 B8R0.4 C=CCCSCC#CC 62a_100000748600_100000754431 [1,0,0,0,0,0|1,0,2]=4 1012 B8R0.4 C=CCCSCC#CC 62a_100000754431_100000748600 [1,0,0,0,0,0|1,0,2]=4 1013 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [1,0,0,0,0,0|1,0,1]=3 1014 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [1,0,0,0,0,0|1,0,1]=3 1015 B8R0.4 C=CCCSCCC#N 62a_100000754431_100011215226 [1,0,0,0,0,0|2,0,1]=4 1016 B8R0.4 C=CCCSCCC#N 62a_100011215226_100000754431 [1,0,0,0,0,0|2,0,1]=4 1017 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [1,0,0,0,0,0|1,0,1]=3 1018 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|1,0,1]=3 1019 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|1,0,1]=3 1020 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,0,0,0,0,0|2,0,1]=4 1021 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,0,0,0,0,0|2,0,1]=4 1022 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,0,0,0,0,0|1,0,2]=4 1023 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,0,0,0,0,0|1,0,2]=4 1024 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,0,0,0,0,0|2,0,0]=3 1025 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,0,0,0,0,0|2,0,0]=3 1026 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,0,0,0,0,0|2,0,0]=3 1027 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,0,0,0,0,0|2,0,0]=3 1028 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,0,0,0,0,0|2,0,1]=4 1029 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,0,0,0,0,0|2,0,1]=4 1030 B8R0.4 C=CCNCCCC#N 2230a_100020586998_100000687738 [1,0,0,0,0,0|2,0,1]=4 1031 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,0,0,0,0,0|1,0,0]=2 1032 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|1,0,1]=3 1033 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|1,0,1]=3 1034 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,0,0,0,0,0|2,0,1]=4 1035 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|1,0,2]=4 1036 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|1,0,2]=4 1037 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|1,0,2]=4 1038 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,0,0,0,0,0|2,0,0]=3 1039 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,0,0,0,0,0|2,0,0]=3 1040 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,0,0,0,0,0|2,0,0]=3 1041 B8R0.4 C=CCNCCOC=C 2230a_100020586998_100000039644 [1,0,0,0,0,0|2,0,1]=4 1042 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,0,0,0,0,0|2,0,1]=4 1043 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,0,0,0,0,0|2,0,1]=4 1044 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,0,0,0,0,0|2,0,1]=4 1045 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,0,0,0,0,0|2,0,1]=4 1046 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,0,0,0,0,0|2,0,1]=4 1047 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [1,0,0,0,0,0|1,0,1]=3 1048 B8R0.4 C=CCOCCC#CC 34a_100000750427_100015514636 [1,0,0,0,0,0|1,0,2]=4 1049 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,0,0,0,0,0|2,0,1]=4 1050 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|1,0,1]=3 1051 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|1,0,1]=3 1052 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|1,0,1]=3 1053 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,0,0,0,0,0|2,0,1]=4 1054 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,0,0,0,0,0|2,0,1]=4 1055 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,0,0,0,0,0|2,0,1]=4 1056 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,0,0,0,0,0|2,0,1]=4 1057 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,0,0,0,0,0|2,0,1]=4 1058 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,0,0,0,0,0|2,0,1]=4 1059 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,0,0,0,0,0|2,0,1]=4 1060 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|1,0,2]=4 1061 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,0,0,0,0,0|2,0,0]=3 1062 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,0,0,0,0,0|2,0,0]=3 1063 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,0,0,0,0,0|2,0,0]=3 1064 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,0,0,0,0,0|2,0,0]=3 1065 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,0,0,0,0,0|2,0,0]=3 1066 B8R0.4 C=CCOCCOC=C 34a_100000033082_100015514636 [1,0,0,0,0,0|2,0,1]=4 1067 B8R0.4 C=CCOCCOC=C 34a_200000210373_100000039644 [1,0,0,0,0,0|2,0,1]=4 1068 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,0,0,0,0|2,0,1]=4 1069 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,0,0,0,0|2,0,1]=4 1070 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,0,0,0,0|2,0,1]=4 1071 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,0,0,0,0|2,0,1]=4 1072 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,0,0,0,0|2,0,1]=4 1073 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,0,0,0,0|2,0,1]=4 1074 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,0,0,0,0|2,0,1]=4 1075 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,0,0,0,0|2,0,1]=4 1076 B8R0.4 C=CCSCCCC#N 62a_100000210623_100000687738 [1,0,0,0,0,0|2,0,1]=4 1077 B8R0.4 C=CCSCCCC#N 62a_100000687738_100000210623 [1,0,0,0,0,0|2,0,1]=4 1078 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,0,0,0,0,0|1,0,0]=2 1079 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,0,0,0,0,0|1,0,0]=2 1080 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|1,0,1]=3 1081 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|1,0,1]=3 1082 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,0,0,0,0,0|2,0,1]=4 1083 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,0,0,0,0,0|2,0,1]=4 1084 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|1,0,2]=4 1085 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|1,0,2]=4 1086 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,0,0,0,0,0|2,0,0]=3 1087 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,0,0,0,0,0|2,0,0]=3 1088 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [1,0,0,0,0,0|2,0,1]=4 1089 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [1,0,0,0,0,0|2,0,1]=4 1090 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,0,0,0,0,0|2,0,1]=4 1091 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,0,0,0,0,0|2,0,1]=4 1092 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,0,0,0,0,0|2,0,1]=4 1093 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,0,0,0,0,0|2,0,1]=4 1094 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,0,0,0,0,0|2,0,0]=3 1095 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,0,0,0,0,0|2,0,0]=3 1096 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,0,0,0,0,0|2,0,0]=3 1097 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,0,0,0,0,0|2,0,0]=3 1098 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,0,0,0,0,0|2,0,1]=4 1099 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,0,0,0,0,0|2,0,1]=4 1100 B8R0.4 C=COCCOCC=O 34a_100000033082_200009817547 [1,0,0,0,0,0|2,0,0]=3 1101 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|2,0,1]=4 1102 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|2,0,1]=4 1103 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [1,0,0,0,0,0|3,0,0]=4 1104 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [1,0,0,0,0,0|2,0,0]=3 1105 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [1,0,0,0,0,0|2,0,0]=3 1106 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,0,0,0,0|2,0,1]=4 1107 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,0,0,0,0|2,0,1]=4 1108 B8R0.4 C=COCCSCOC 62a_100000039644_100000766300 [1,0,0,0,0,0|3,0,0]=4 1109 B8R0.4 C=COCCSCOC 62a_100000766300_100000039644 [1,0,0,0,0,0|3,0,0]=4 1110 B8R0.4 C=COCCSCSC 62a_100000039644_100011218213 [1,0,0,0,0,0|3,0,0]=4 1111 B8R0.4 C=COCCSCSC 62a_100011218213_100000039644 [1,0,0,0,0,0|3,0,0]=4 1112 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|1,0,2]=4 1113 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|1,0,2]=4 1114 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|1,0,2]=4 1115 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|1,0,2]=4 1116 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|1,0,2]=4 1117 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,2]=4 1118 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,2]=4 1119 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,2]=4 1120 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,2]=4 1121 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,2]=4 1122 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,2]=4 1123 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,2]=4 1124 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,2]=4 1125 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,2]=4 1126 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,2]=4 1127 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,2]=4 1128 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,2]=4 1129 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,2]=4 1130 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,2]=4 1131 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,2]=4 1132 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,2]=4 1133 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,2]=4 1134 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,2]=4 1135 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,2]=4 1136 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 1137 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 1138 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,1]=3 1139 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,1]=3 1140 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1141 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,1]=4 1142 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1143 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1144 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|2,0,1]=4 1145 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1146 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|2,0,1]=4 1147 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|2,0,1]=4 1148 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|2,0,1]=4 1149 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|2,0,1]=4 1150 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|2,0,1]=4 1151 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|2,0,1]=4 1152 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,0,0,0,0|2,0,1]=4 1153 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1154 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1155 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1156 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1157 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1158 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,1]=4 1159 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1160 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1161 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|2,0,1]=4 1162 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|2,0,1]=4 1163 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|2,0,1]=4 1164 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,0,0,0,0,0|2,0,1]=4 1165 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,0,0,0,0|2,0,1]=4 1166 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,0,0,0,0,0|2,0,1]=4 1167 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,0,0,0,0,0|2,0,1]=4 1168 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,0,0,0,0,0|2,0,1]=4 1169 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,0,0,0,0,0|2,0,1]=4 1170 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,0,0,0,0,0|2,0,1]=4 1171 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,0,0,0,0,0|2,0,1]=4 1172 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,1]=3 1173 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,1]=3 1174 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,1]=4 1175 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,1]=4 1176 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1177 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|2,0,1]=4 1178 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,0,0,0,0,0|2,0,1]=4 1179 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,0,0,0,0|2,0,1]=4 1180 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,0,0,0,0|2,0,1]=4 1181 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,0,0,0,0,0|2,0,1]=4 1182 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,0,0,0,0,0|2,0,1]=4 1183 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [1,0,0,0,0,0|2,0,1]=4 1184 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [1,0,0,0,0,0|2,0,1]=4 1185 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [1,0,0,0,0,0|2,0,1]=4 1186 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [1,0,0,0,0,0|2,0,1]=4 1187 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 1188 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,0,0,0,0,0|2,0,1]=4 1189 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,0,0,0,0,0|2,0,1]=4 1190 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,1]=4 1191 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,0,0,0,0,0|2,0,0]=3 1192 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,0,0,0,0,0|2,0,0]=3 1193 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,0,0,0,0,0|2,0,1]=4 1194 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,0,0,0,0,0|2,0,1]=4 1195 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,1]=4 1196 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,1]=4 1197 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,1]=4 1198 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 1199 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,0,0,0,0|2,0,1]=4 1200 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,0,0,0,0|2,0,1]=4 1201 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 1202 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,0,0,0,0|2,0,1]=4 1203 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,0,0,0,0|2,0,1]=4 1204 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,0,0,0,0|2,0,1]=4 1205 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,0,0,0,0,0|2,0,1]=4 1206 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,0,0,0,0,0|2,0,1]=4 1207 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 1208 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,1]=4 1209 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1210 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1211 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1212 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1213 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1214 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1215 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1216 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1217 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1218 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,0,0,0,0,0|2,0,1]=4 1219 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,0,0,0,0,0|2,0,1]=4 1220 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,1]=3 1221 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,1]=3 1222 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,1]=4 1223 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,1]=4 1224 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1225 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|2,0,1]=4 1226 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|0,0,2]=3 1227 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|0,0,2]=3 1228 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|0,0,2]=3 1229 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [1,0,0,0,0,0|1,0,2]=4 1230 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [1,0,0,0,0,0|1,0,2]=4 1231 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [1,0,0,0,0,0|1,0,2]=4 1232 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [1,0,0,0,0,0|1,0,2]=4 1233 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [1,0,0,0,0,0|1,0,2]=4 1234 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [1,0,0,0,0,0|1,0,2]=4 1235 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [1,0,0,0,0,0|1,0,2]=4 1236 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [1,0,0,0,0,0|1,0,2]=4 1237 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [1,0,0,0,0,0|1,0,2]=4 1238 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [1,0,0,0,0,0|1,0,2]=4 1239 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [1,0,0,0,0,0|1,0,2]=4 1240 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,0,0,0,0,0|1,0,2]=4 1241 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [1,0,0,0,0,0|3,0,0]=4 1242 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,0,0,0,0,0|3,0,0]=4 1243 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,0,0,0,0,0|3,0,0]=4 1244 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [1,0,0,0,0,0|3,0,0]=4 1245 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [1,0,0,0,0,0|3,0,0]=4 1246 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|2,0,1]=4 1247 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|2,0,1]=4 1248 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [1,0,0,0,0,0|3,0,0]=4 1249 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [1,0,0,0,0,0|3,0,0]=4 1250 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,0,0,0,0,0|3,0,0]=4 1251 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,0,0,0,0,0|3,0,0]=4 1252 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,0,0,0,0,0|3,0,0]=4 1253 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|2,0,1]=4 1254 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|2,0,1]=4 1255 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [1,0,0,0,0,0|3,0,0]=4 1256 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [1,0,0,0,0,0|3,0,0]=4 1257 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,0,0,0,0,0|3,0,0]=4 1258 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,0,0,0,0,0|3,0,0]=4 1259 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,0,0,0,0,0|2,0,1]=4 1260 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,0,0,0,0,0|2,0,1]=4 1261 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [1,0,0,0,0,0|3,0,0]=4 1262 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [1,0,0,0,0,0|3,0,0]=4 1263 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [1,0,0,0,0,0|3,0,0]=4 1264 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,0,0,0,0,0|2,0,1]=4 1265 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,0,0,0,0,0|2,0,1]=4 1266 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,0,0,0,0,0|2,0,1]=4 1267 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [1,0,0,0,0,0|3,0,0]=4 1268 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [1,0,0,0,0,0|3,0,0]=4 1269 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [1,0,0,0,0,0|3,0,0]=4 1270 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [1,0,0,0,0,0|3,0,0]=4 1271 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,0,0,0,0,0|3,0,0]=4 1272 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,0,0,0,0,0|2,0,1]=4 1273 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,0,0,0,0,0|2,0,1]=4 1274 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [1,0,0,0,0,0|3,0,0]=4 1275 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [1,0,0,0,0,0|3,0,0]=4 1276 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [1,0,0,0,0,0|3,0,0]=4 1277 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [1,0,0,0,0,0|3,0,0]=4 1278 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|0,0,0]=1 1279 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|0,0,0]=1 1280 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|0,0,0]=1 1281 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,0,0,0,0,0|2,0,0]=3 1282 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,0,0,0,0,0|2,0,0]=3 1283 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,0,0,0,0,0|2,0,0]=3 1284 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,0,0,0,0,0|2,0,0]=3 1285 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,0,0,0,0,0|2,0,0]=3 1286 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,0,0,0,0,0|2,0,0]=3 1287 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|1,0,0]=2 1288 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|1,0,0]=2 1289 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|1,0,0]=2 1290 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|1,0,0]=2 1291 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,0,0,0,0,0|2,0,1]=4 1292 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,0,0,0,0,0|2,0,1]=4 1293 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,0,0,0,0,0|2,0,1]=4 1294 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,0,0,0,0,0|2,0,1]=4 1295 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,0,0,0,0,0|2,0,1]=4 1296 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,0,0,0,0,0|2,0,1]=4 1297 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,0,0,0,0,0|2,0,1]=4 1298 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,0,0,0,0,0|2,0,1]=4 1299 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,0,0,0,0,0|2,0,1]=4 1300 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [1,0,0,0,0,0|2,0,0]=3 1301 B8R0.7 C=CCCNCC(=C)F 2230a_100015191253_100009893438 [1,0,0,0,0,0|2,0,1]=4 1302 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [1,0,0,0,0,0|2,0,0]=3 1303 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [1,0,0,0,0,0|2,0,0]=3 1304 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|2,0,0]=3 1305 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [1,0,0,0,0,0|2,0,1]=4 1306 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [1,0,0,0,0,0|2,0,1]=4 1307 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [1,0,0,0,0,0|2,0,1]=4 1308 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [1,0,0,0,0,0|2,0,1]=4 1309 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,0,0,0,0,0|1,0,2]=4 1310 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,0,0,0,0,0|1,0,2]=4 1311 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,0,0,0,0,0|1,0,2]=4 1312 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,0,0,0,0,0|1,0,2]=4 1313 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [1,0,0,0,0,0|2,0,0]=3 1314 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [1,0,0,0,0,0|2,0,0]=3 1315 B8R0.7 C=CCCOCC(=C)F 34a_100011205117_100009893438 [1,0,0,0,0,0|2,0,1]=4 1316 B8R0.7 C=CCCOCC(=C)F 34a_200010262243_100000754431 [1,0,0,0,0,0|2,0,1]=4 1317 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [1,0,0,0,0,0|1,0,0]=2 1318 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [1,0,0,0,0,0|2,0,0]=3 1319 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [1,0,0,0,0,0|2,0,0]=3 1320 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [1,0,0,0,0,0|2,0,1]=4 1321 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,0,0,0,0,0|2,0,1]=4 1322 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,0,0,0,0,0|2,0,1]=4 1323 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [1,0,0,0,0,0|2,0,1]=4 1324 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,0,0,0,0,0|1,0,2]=4 1325 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [1,0,0,0,0,0|2,0,1]=4 1326 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [1,0,0,0,0,0|2,0,1]=4 1327 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,0,0,0,0,0|1,0,2]=4 1328 B8R0.7 C=CCCOC[N+](=O)[O-] 34a_100011205117_100000761209 [1,0,0,0,0,0|3,0,0]=4 1329 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [1,0,0,0,0,0|2,0,0]=3 1330 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [1,0,0,0,0,0|2,0,0]=3 1331 B8R0.7 C=CCCSCC(=C)F 62a_100000042424_100000754431 [1,0,0,0,0,0|2,0,1]=4 1332 B8R0.7 C=CCCSCC(=C)F 62a_100000754431_100000042424 [1,0,0,0,0,0|2,0,1]=4 1333 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [1,0,0,0,0,0|2,0,0]=3 1334 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [1,0,0,0,0,0|2,0,0]=3 1335 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [1,0,0,0,0,0|2,0,0]=3 1336 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [1,0,0,0,0,0|2,0,0]=3 1337 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [1,0,0,0,0,0|2,0,1]=4 1338 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [1,0,0,0,0,0|2,0,1]=4 1339 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,0,0,0,0,0|1,0,2]=4 1340 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,0,0,0,0,0|1,0,2]=4 1341 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,0,0,0,0,0|1,0,2]=4 1342 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,0,0,0,0,0|1,0,2]=4 1343 B8R0.7 C=CCCSC[N+](=O)[O-] 62a_100000754431_100000761209 [1,0,0,0,0,0|3,0,0]=4 1344 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [1,0,0,0,0,0|2,0,1]=4 1345 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [1,0,0,0,0,0|2,0,1]=4 1346 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [1,0,0,0,0,0|2,0,0]=3 1347 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [1,0,0,0,0,0|2,0,0]=3 1348 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [1,0,0,0,0,0|2,0,1]=4 1349 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,0,0,0,0,0|1,0,2]=4 1350 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,0,0,0,0,0|1,0,2]=4 1351 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [1,0,0,0,0,0|3,0,0]=4 1352 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [1,0,0,0,0,0|2,0,1]=4 1353 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [1,0,0,0,0,0|2,0,1]=4 1354 B8R0.7 C=CCOCCC(=C)Br 34a_100009813270_100015514636 [1,0,0,0,0,0|2,0,1]=4 1355 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [1,0,0,0,0,0|2,0,0]=3 1356 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [1,0,0,0,0,0|2,0,0]=3 1357 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,0,0,0,0|1,0,0]=2 1358 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,0,0,0,0|1,0,0]=2 1359 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,0,0,0,0|1,0,0]=2 1360 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [1,0,0,0,0,0|2,0,0]=3 1361 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [1,0,0,0,0,0|2,0,0]=3 1362 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [1,0,0,0,0,0|2,0,0]=3 1363 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,0,0,0,0|1,0,0]=2 1364 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [1,0,0,0,0,0|2,0,1]=4 1365 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,0,0,0,0,0|2,0,1]=4 1366 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,0,0,0,0,0|2,0,1]=4 1367 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,0,0,0,0,0|2,0,1]=4 1368 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,0,0,0,0,0|1,0,2]=4 1369 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [1,0,0,0,0,0|2,0,1]=4 1370 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,0,0,0,0,0|2,0,0]=3 1371 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [1,0,0,0,0,0|2,0,1]=4 1372 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [1,0,0,0,0,0|2,0,1]=4 1373 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [1,0,0,0,0,0|2,0,0]=3 1374 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [1,0,0,0,0,0|2,0,0]=3 1375 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,0,0,0,0,0|1,0,0]=2 1376 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,0,0,0,0,0|1,0,0]=2 1377 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [1,0,0,0,0,0|2,0,0]=3 1378 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [1,0,0,0,0,0|2,0,0]=3 1379 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [1,0,0,0,0,0|2,0,1]=4 1380 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [1,0,0,0,0,0|2,0,1]=4 1381 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,0,0,0,0,0|1,0,2]=4 1382 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,0,0,0,0,0|1,0,2]=4 1383 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [1,0,0,0,0,0|3,0,0]=4 1384 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [1,0,0,0,0,0|2,0,0]=3 1385 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [1,0,0,0,0,0|2,0,0]=3 1386 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|1,0,1]=3 1387 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|1,0,0]=2 1388 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,0]=2 1389 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,0]=2 1390 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|1,0,1]=3 1391 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|1,0,1]=3 1392 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [1,0,0,0,0,0|3,0,0]=4 1393 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,0,0,0,0|2,0,0]=3 1394 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,0,0,0,0|2,0,0]=3 1395 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,0,0,0,0|2,0,0]=3 1396 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,0,0,0,0|2,0,0]=3 1397 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [1,0,0,0,0,0|2,0,1]=4 1398 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [1,0,0,0,0,0|2,0,1]=4 1399 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,0,0,0,0|2,0,0]=3 1400 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,0,0,0,0|2,0,0]=3 1401 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|2,0,0]=3 1402 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|2,0,0]=3 1403 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|2,0,0]=3 1404 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|2,0,0]=3 1405 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|2,0,0]=3 1406 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|2,0,0]=3 1407 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [1,0,0,0,0,0|2,0,1]=4 1408 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [1,0,0,0,0,0|2,0,1]=4 1409 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,0,0,0,0|2,0,0]=3 1410 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,0,0,0,0|2,0,0]=3 1411 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|2,0,0]=3 1412 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|2,0,0]=3 1413 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|2,0,0]=3 1414 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|2,0,0]=3 1415 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,0,0,0,0,0|2,0,0]=3 1416 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,0,0,0,0|2,0,0]=3 1417 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|2,0,0]=3 1418 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|2,0,0]=3 1419 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,0,0,0,0|2,0,1]=4 1420 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|2,0,1]=4 1421 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,0,0,0,0,0|3,0,0]=4 1422 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [1,0,0,0,0,0|3,0,0]=4 1423 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [1,0,0,0,0,0|3,0,0]=4 1424 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|2,0,1]=4 1425 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|2,0,1]=4 1426 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,0,0,0,0,0|3,0,0]=4 1427 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,0,0,0,0,0|3,0,0]=4 1428 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,0,0,0,0,0|3,0,0]=4 1429 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,0,0,0,0,0|3,0,0]=4 1430 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,0,0,0,0,0|3,0,0]=4 1431 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,0,0,0,0,0|3,0,0]=4 1432 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,0,0,0,0|3,0,0]=4 1433 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,0,0,0,0|3,0,0]=4 1434 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,0,0,0,0,0|3,0,0]=4 1435 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,0,0,0,0,0|3,0,0]=4 1436 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,0,0,0,0,0|3,0,0]=4 1437 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,0,0,0,0,0|3,0,0]=4 1438 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,0,0,0,0|2,0,1]=4 1439 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,0,0,0,0|2,0,1]=4 1440 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|0,0,3]=4 1441 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,0,0,0,0,0|1,0,2]=4 1442 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|0,0,3]=4 1443 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|0,0,3]=4 1444 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|0,0,3]=4 1445 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|0,0,3]=4 1446 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|0,0,1]=2 1447 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|0,0,1]=2 1448 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|0,0,1]=2 1449 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|2,0,1]=4 1450 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|2,0,1]=4 1451 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|2,0,1]=4 1452 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|2,0,1]=4 1453 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|2,0,1]=4 1454 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|2,0,1]=4 1455 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 1456 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 1457 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 1458 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|1,0,1]=3 1459 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,0,0,0,0|2,0,1]=4 1460 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,0,0,0,0|2,0,1]=4 1461 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,0,0,0,0|2,0,1]=4 1462 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,1]=4 1463 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,0,0,0,0|2,0,1]=4 1464 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|1,0,1]=3 1465 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|1,0,1]=3 1466 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|1,0,1]=3 1467 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,0,0,0,0|2,0,1]=4 1468 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,0,0,0,0|2,0,1]=4 1469 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|1,0,1]=3 1470 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,0,0,0,0|2,0,1]=4 1471 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|1,0,1]=3 1472 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,0,0,0,0|2,0,1]=4 1473 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,0,0,0,0|2,0,1]=4 1474 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|1,0,1]=3 1475 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,0,0,0,0|2,0,1]=4 1476 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,0,0,0,0|2,0,1]=4 1477 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|1,0,1]=3 1478 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|1,0,1]=3 1479 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|1,0,1]=3 1480 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|2,0,1]=4 1481 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|2,0,1]=4 1482 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|2,0,1]=4 1483 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|2,0,1]=4 1484 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|1,0,1]=3 1485 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|1,0,1]=3 1486 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|2,0,1]=4 1487 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|2,0,1]=4 1488 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|2,0,1]=4 1489 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|2,0,1]=4 1490 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|2,0,1]=4 1491 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|2,0,1]=4 1492 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,0,0,0,0|2,0,1]=4 1493 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,0,0,0,0|2,0,1]=4 1494 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|1,0,1]=3 1495 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|1,0,1]=3 1496 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|1,0,1]=3 1497 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|1,0,1]=3 1498 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|2,0,1]=4 1499 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,0,0,0,0|2,0,1]=4 1500 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,0,0,0,0|2,0,1]=4 1501 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,0,0,0,0|2,0,1]=4 1502 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,0,0,0,0|2,0,1]=4 1503 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,0,0,0,0|2,0,1]=4 1504 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|2,0,1]=4 1505 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|1,0,1]=3 1506 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|1,0,1]=3 1507 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|2,0,1]=4 1508 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|2,0,1]=4 1509 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,0,0,0,0|2,0,1]=4 1510 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,0,0,0,0|2,0,1]=4 1511 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,0,0,0,0|2,0,1]=4 1512 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,0,0,0,0|2,0,1]=4 1513 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,0,0,0,0|2,0,1]=4 1514 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,0,0,0,0|2,0,1]=4 1515 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|2,0,1]=4 1516 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|2,0,1]=4 1517 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,0,0,0,0,0|3,0,0]=4 1518 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,0,0,0,0,0|3,0,0]=4 1519 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,0,0,0,0,0|3,0,0]=4 1520 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,0,0,0,0,0|3,0,0]=4 1521 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 1522 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 1523 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 1524 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 1525 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 1526 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 1527 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|1,0,1]=3 1528 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|1,0,1]=3 1529 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|2,0,1]=4 1530 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,0,0,0,0|2,0,1]=4 1531 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|2,0,1]=4 1532 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|2,0,1]=4 1533 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,0,0,0,0|2,0,1]=4 1534 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,0,0,0,0|2,0,1]=4 1535 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,0,0,0,0|2,0,1]=4 1536 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|1,0,1]=3 1537 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|1,0,1]=3 1538 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|2,0,1]=4 1539 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|2,0,1]=4 1540 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|2,0,1]=4 1541 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|2,0,1]=4 1542 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|2,0,1]=4 1543 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|2,0,1]=4 1544 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|2,0,1]=4 1545 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|2,0,1]=4 1546 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,0,0,0,0,0|2,0,1]=4 1547 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,0,0,0,0,0|2,0,1]=4 1548 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,0,0,0,0,0|2,0,1]=4 1549 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|2,0,1]=4 1550 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|2,0,1]=4 1551 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|1,0,1]=3 1552 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|1,0,1]=3 1553 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 1554 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 1555 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 1556 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,0,0,0,0|2,0,1]=4 1557 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|2,0,1]=4 1558 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|2,0,1]=4 1559 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,0,0,0,0|2,0,1]=4 1560 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,0,0,0,0|2,0,1]=4 1561 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,0,0,0,0,0|2,0,1]=4 1562 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,0,0,0,0,0|2,0,1]=4 1563 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|2,0,1]=4 1564 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|2,0,1]=4 1565 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,0,0,0,0,0|3,0,0]=4 1566 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,0,0,0,0,0|3,0,0]=4 1567 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,0,0,0,0,0|3,0,0]=4 1568 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,0,0,0,0,0|3,0,0]=4 1569 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,0,0,0,0|3,0,0]=4 1570 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,0,0,0,0|3,0,0]=4 1571 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [1,0,0,0,0,0|3,0,0]=4 1572 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [1,0,0,0,0,0|3,0,0]=4 1573 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,0,0,0,0,0|3,0,0]=4 1574 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 1575 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 1576 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 1577 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 1578 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [1,0,0,0,0,0|3,0,0]=4 1579 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [1,0,0,0,0,0|3,0,0]=4 1580 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,0,0,0,0,0|3,0,0]=4 1581 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,0,0,0,0,0|3,0,0]=4 1582 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|3,0,0]=4 1583 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|3,0,0]=4 1584 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,0,0,0,0,0|3,0,0]=4 1585 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,0,0,0,0,0|3,0,0]=4 1586 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,0,0,0,0,0|3,0,0]=4 1587 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,0,0,0,0,0|3,0,0]=4 1588 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,0,0,0,0,0|3,0,0]=4 1589 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,0,0,0,0,0|3,0,0]=4 1590 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,0,0,0,0,0|3,0,0]=4 1591 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,0,0,0,0,0|3,0,0]=4 1592 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,0,0,0,0,0|3,0,0]=4 1593 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,0,0,0,0,0|3,0,0]=4 1594 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,0,0,0,0,0|3,0,0]=4 1595 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,0,0,0,0,0|3,0,0]=4 1596 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,0,0,0,0,0|3,0,0]=4 1597 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,0,0,0,0,0|3,0,0]=4 1598 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|3,0,0]=4 1599 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|3,0,0]=4 1600 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,0,0,0,0,0|3,0,0]=4 1601 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,0,0,0,0,0|3,0,0]=4 1602 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,0,0,0,0,0|3,0,0]=4 1603 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,0,0,0,0,0|3,0,0]=4 1604 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,0,0,0,0,0|3,0,0]=4 1605 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,0,0,0,0,0|3,0,0]=4 1606 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,0,0,0,0,0|3,0,0]=4 1607 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,0,0,0,0,0|3,0,0]=4 1608 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,0]=2 1609 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [1,0,0,0,0,0|3,0,0]=4 1610 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|2,0,0]=3 1611 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|2,0,1]=4 1612 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|2,0,1]=4 1613 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|2,0,1]=4 1614 B10R0.3 C#CCC(=O)CCCC(=O)C 1458a_100011220946_100011215641 [0,1,0,0,0,0|0,0,3]=4 1615 B10R0.3 C#CCC(C)OCCC(=O)C 7a_100000685586_100000053229 [0,1,0,0,0,0|1,0,2]=4 1616 B10R0.3 C#CCN(C)CCCC(=O)C 34a_100000225692_100000685027 [0,1,0,0,0,0|1,0,2]=4 1617 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,1,0,0,0,0|1,0,2]=4 1618 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,1,0,0,0,0|0,0,1]=2 1619 B10R0.3 C=CCC(=O)CCCC(=O)N 1458a_100000210193_100102525003 [0,1,0,0,0,0|1,0,1]=3 1620 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,1,0,0,0,0|1,0,2]=4 1621 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,1,0,0,0,0|1,0,2]=4 1622 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,1,0,0,0,0|0,0,3]=4 1623 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,1,0,0,0,0|2,0,1]=4 1624 B10R0.3 C=CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210623 [0,1,0,0,0,0|2,0,1]=4 1625 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,1,0,0,0,0|1,0,1]=3 1626 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,1,0,0,0,0|1,0,1]=3 1627 B10R0.3 C=CCC(=O)CCNC(=O)N 1458a_100000181464_100000210623 [0,1,0,0,0,0|2,0,1]=4 1628 B10R0.3 C=CCC(=O)CCNC(=O)N 1458a_100000210193_200000034859 [0,1,0,0,0,0|2,0,1]=4 1629 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,1,0,0,0,0|1,0,1]=3 1630 B10R0.3 C=CCC(=O)CCOC(=O)N 1458a_100000210193_200011214921 [0,1,0,0,0,0|2,0,1]=4 1631 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,1,0,0,0,0|1,0,1]=3 1632 B10R0.3 C=CCC(=O)COCC(=O)N 1458a_100011219004_100000210623 [0,1,0,0,0,0|2,0,1]=4 1633 B10R0.3 C=CCC(=O)NCCC(=O)N 11a_100000740010_100000210193 [0,1,0,0,0,0|2,0,1]=4 1634 B10R0.3 C=CCC(=O)NCCC(=O)N 240690a_100000740010_100000210193 [0,1,0,0,0,0|2,0,1]=4 1635 B10R0.3 C=CCC(=O)NCCC(=O)N 527a_100000740010_100000210193 [0,1,0,0,0,0|2,0,1]=4 1636 B10R0.3 C=CCC(C)COCC(=C)C 34a_100009832082_100000748629 [0,1,0,0,0,0|2,0,0]=3 1637 B10R0.3 C=CCC(C)COCC(=C)C 7a_100009832082_100000748629 [0,1,0,0,0,0|2,0,0]=3 1638 B10R0.3 C=CCC(C)COCC(=C)F 34a_100009832082_100009893438 [0,1,0,0,0,0|2,0,1]=4 1639 B10R0.3 C=CCC(C)COCC(=C)F 7a_100009832082_100000042424 [0,1,0,0,0,0|2,0,1]=4 1640 B10R0.3 C=CCC(C)COCC(=O)N 34a_100009832082_100000187820 [0,1,0,0,0,0|2,0,0]=3 1641 B10R0.3 C=CCC(C)COCC(=O)N 7a_100009832082_100000187820 [0,1,0,0,0,0|2,0,0]=3 1642 B10R0.3 C=CCC(C)COCC(=O)[O-] 34a_100009832082_100020667443 [0,1,0,0,0,0|2,0,0]=3 1643 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [0,1,0,0,0,0|2,0,1]=4 1644 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [0,1,0,0,0,0|2,0,1]=4 1645 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [0,1,0,0,0,0|1,0,2]=4 1646 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [0,1,0,0,0,0|1,0,2]=4 1647 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [0,1,0,0,0,0|1,0,2]=4 1648 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [0,1,0,0,0,0|1,0,2]=4 1649 B10R0.3 C=CCC(C)COC[N+](=O)[O-] 34a_100009832082_100000761209 [0,1,0,0,0,0|3,0,0]=4 1650 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,1,0,0,0,0|2,0,1]=4 1651 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,1,0,0,0,0|2,0,1]=4 1652 B10R0.3 C=CCN(C)CCCC(=O)C 269982a_100000225617_100011215641 [0,1,0,0,0,0|1,0,0]=2 1653 B10R0.3 C=CCN(C)CCCC(=O)N 269982a_100000225617_100102525003 [0,1,0,0,0,0|2,0,0]=3 1654 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,1,0,0,0,0|2,0,0]=3 1655 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [0,1,0,0,0,0|2,0,1]=4 1656 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [0,1,0,0,0,0|2,0,1]=4 1657 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [0,1,0,0,0,0|1,0,2]=4 1658 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [0,1,0,0,0,0|1,0,2]=4 1659 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225617_100000757444 [0,1,0,0,0,0|3,0,0]=4 1660 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225831_100000210623 [0,1,0,0,0,0|3,0,0]=4 1661 B10R0.3 C=CCN(C)CCNC(=O)C 2230a_100000225617_100000189650 [0,1,0,0,0,0|2,0,0]=3 1662 B10R0.3 C=CCN(C)CCNC(=O)C 269982a_100000225617_100000189650 [0,1,0,0,0,0|2,0,0]=3 1663 B10R0.3 C=CCN(C)CCNC(=O)N 2230a_100000225617_200000034859 [0,1,0,0,0,0|3,0,0]=4 1664 B10R0.3 C=CCN(C)CCNC(=O)N 269982a_100000225617_200000034859 [0,1,0,0,0,0|3,0,0]=4 1665 B10R0.3 C=CCN(C)CCOC(=O)C 269982a_100000225617_100009814007 [0,1,0,0,0,0|2,0,0]=3 1666 B10R0.3 C=CCN(C)CCOC(=O)N 269982a_100000225617_200011214921 [0,1,0,0,0,0|3,0,0]=4 1667 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,1,0,0,0,0|2,0,1]=4 1668 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,1,0,0,0,0|2,0,1]=4 1669 B10R0.3 C=CC[C@@H](C)OCCC(=C)C 34a_100000731007_100000730704 [0,1,0,0,0,0|2,0,0]=3 1670 B10R0.3 C=CC[C@@H](C)OCCC(=C)C 7a_100000731007_100000730704 [0,1,0,0,0,0|2,0,0]=3 1671 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 7a_100000731007_100000053229 [0,1,0,0,0,0|1,0,0]=2 1672 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 34a_100000731007_100000731001 [0,1,0,0,0,0|2,0,0]=3 1673 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 7a_100000731007_100000744528 [0,1,0,0,0,0|2,0,0]=3 1674 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [0,1,0,0,0,0|2,0,1]=4 1675 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [0,1,0,0,0,0|2,0,1]=4 1676 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [0,1,0,0,0,0|1,0,2]=4 1677 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [0,1,0,0,0,0|1,0,2]=4 1678 B10R0.3 C=CC[C@@H](C)OCCN(C)C 7a_100000731007_100000755713 [0,1,0,0,0,0|3,0,0]=4 1679 B10R0.3 C=CC[C@@H](C)OCOC(=O)C 34a_100000731007_100009813279 [0,1,0,0,0,0|2,0,0]=3 1680 B10R0.3 C=CC[C@@H](N)COCC(=C)C 34a_100020615467_100000748629 [0,1,0,0,0,0|2,0,0]=3 1681 B10R0.3 C=CC[C@@H](N)COCC(=C)F 34a_100020615467_100009893438 [0,1,0,0,0,0|2,0,1]=4 1682 B10R0.3 C=CC[C@@H](N)COCC(=O)N 34a_100020615467_100000187820 [0,1,0,0,0,0|2,0,0]=3 1683 B10R0.3 C=CC[C@@H](N)COCC(=O)[O-] 34a_100020615467_100020667443 [0,1,0,0,0,0|2,0,0]=3 1684 B10R0.3 C=CC[C@@H](N)COCC(C)C 34a_100020615467_100000210624 [0,1,0,0,0,0|2,0,1]=4 1685 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [0,1,0,0,0,0|1,0,2]=4 1686 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [0,1,0,0,0,0|1,0,2]=4 1687 B10R0.3 C=CC[C@@H](N)COC[N+](=O)[O-] 34a_100020615467_100000761209 [0,1,0,0,0,0|3,0,0]=4 1688 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,1,0,0,0,0|2,0,1]=4 1689 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,1,0,0,0,0|1,0,2]=4 1690 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,1,0,0,0,0|1,0,2]=4 1691 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,1,0,0,0,0|1,0,2]=4 1692 B10R0.3 CC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215641 [0,1,0,0,0,0|1,0,2]=4 1693 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,0|1,0,2]=4 1694 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,1,0,0,0,0|2,0,1]=4 1695 B10R0.3 CC(=O)CCOC(C)CC#N 7a_100000759926_100009813641 [0,1,0,0,0,0|2,0,1]=4 1696 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,1,0,0,0,0|2,0,1]=4 1697 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,1,0,0,0,0|2,0,1]=4 1698 B10R0.3 CC(=O)CCSC(C)CC#N 62a_100000053229_100009813641 [0,1,0,0,0,0|2,0,1]=4 1699 B10R0.3 CC(=O)CCSC(C)CC#N 62a_100009813641_100000053229 [0,1,0,0,0,0|2,0,1]=4 1700 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,1,0,0,0,0|2,0,1]=4 1701 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,1,0,0,0,0|2,0,1]=4 1702 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,0,0,0,0|0,0,3]=4 1703 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|0,0,3]=4 1704 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,1,0,0,0,0|1,0,2]=4 1705 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,1,0,0,0,0|1,0,2]=4 1706 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,1,0,0,0,0|1,0,2]=4 1707 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,1,0,0,0,0|1,0,2]=4 1708 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,1,0,0,0,0|1,0,2]=4 1709 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,1,0,0,0,0|1,0,2]=4 1710 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,0,0,0,0|1,0,2]=4 1711 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [0,1,0,0,0,0|3,0,0]=4 1712 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,0|1,0,2]=4 1713 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,1,0,0,0,0|2,0,1]=4 1714 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,1,0,0,0,0|2,0,1]=4 1715 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,1,0,0,0,0|2,0,1]=4 1716 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,1,0,0,0,0|2,0,1]=4 1717 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,1,0,0,0,0|2,0,1]=4 1718 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,0|1,0,2]=4 1719 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,0,0,0,0|0,0,2]=3 1720 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,0,0,0,0|0,0,2]=3 1721 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,0,0,0,0|0,0,2]=3 1722 B10R0.4 C#CCCCCNCC(=C)C 2230a_100000706060_100000748629 [0,1,0,0,0,0|1,0,2]=4 1723 B10R0.4 C#CCCCCNCC(=C)C 34a_100000706060_100000748629 [0,1,0,0,0,0|1,0,2]=4 1724 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [0,1,0,0,0,0|1,0,2]=4 1725 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [0,1,0,0,0,0|1,0,2]=4 1726 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [0,1,0,0,0,0|1,0,2]=4 1727 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,1,0,0,0,0|1,0,2]=4 1728 B10R0.4 C#CCCCCNCC(=O)[O-] 34a_100000706060_100020667443 [0,1,0,0,0,0|1,0,2]=4 1729 B10R0.4 C#CCCCCOCC(=C)C 34a_100000210245_100010269958 [0,1,0,0,0,0|1,0,2]=4 1730 B10R0.4 C#CCCCCOCC(=C)C 34a_100000766709_100000748629 [0,1,0,0,0,0|1,0,2]=4 1731 B10R0.4 C#CCCCCOCC(=C)C 7a_100000766709_100000748629 [0,1,0,0,0,0|1,0,2]=4 1732 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,1,0,0,0,0|0,0,2]=3 1733 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,1,0,0,0,0|1,0,2]=4 1734 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,1,0,0,0,0|1,0,2]=4 1735 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,1,0,0,0,0|1,0,2]=4 1736 B10R0.4 C#CCCCCSCC(=C)C 62a_100000748629_100010269958 [0,1,0,0,0,0|1,0,2]=4 1737 B10R0.4 C#CCCCCSCC(=C)C 62a_100010269958_100000211660 [0,1,0,0,0,0|1,0,2]=4 1738 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [0,1,0,0,0,0|1,0,2]=4 1739 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [0,1,0,0,0,0|1,0,2]=4 1740 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100010269958_100020667443 [0,1,0,0,0,0|1,0,2]=4 1741 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100020667443_100010269958 [0,1,0,0,0,0|1,0,2]=4 1742 B10R0.4 C#CCCCNCCC(=C)C 34a_100000718082_100000730704 [0,1,0,0,0,0|1,0,2]=4 1743 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [0,1,0,0,0,0|1,0,2]=4 1744 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [0,1,0,0,0,0|1,0,2]=4 1745 B10R0.4 C#CCCCOCCC(=C)C 34a_100000215630_100000730704 [0,1,0,0,0,0|1,0,2]=4 1746 B10R0.4 C#CCCCOCCC(=C)C 34a_100000764851_100000695029 [0,1,0,0,0,0|1,0,2]=4 1747 B10R0.4 C#CCCCOCCC(=C)C 7a_100000215630_100000730704 [0,1,0,0,0,0|1,0,2]=4 1748 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,1,0,0,0,0|0,0,2]=3 1749 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,1,0,0,0,0|0,0,2]=3 1750 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,1,0,0,0,0|0,0,2]=3 1751 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [0,1,0,0,0,0|1,0,2]=4 1752 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [0,1,0,0,0,0|1,0,2]=4 1753 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [0,1,0,0,0,0|1,0,2]=4 1754 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [0,1,0,0,0,0|1,0,2]=4 1755 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [0,1,0,0,0,0|1,0,2]=4 1756 B10R0.4 C#CCCCSCCC(=C)C 62a_100000730704_100011215417 [0,1,0,0,0,0|1,0,2]=4 1757 B10R0.4 C#CCCCSCCC(=C)C 62a_100011215417_100000730704 [0,1,0,0,0,0|1,0,2]=4 1758 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,1,0,0,0,0|0,0,2]=3 1759 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,1,0,0,0,0|0,0,2]=3 1760 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [0,1,0,0,0,0|1,0,2]=4 1761 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [0,1,0,0,0,0|1,0,2]=4 1762 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [0,1,0,0,0,0|1,0,2]=4 1763 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [0,1,0,0,0,0|1,0,2]=4 1764 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,1,0,0,0,0|0,0,2]=3 1765 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [0,1,0,0,0,0|1,0,2]=4 1766 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [0,1,0,0,0,0|1,0,2]=4 1767 B10R0.4 C#CCCNCCCS(=O)C 2230a_200000753449_100000688953 [0,1,0,0,0,0|1,0,2]=4 1768 B10R0.4 C#CCCNCCNC(=O)C 2230a_100000209853_100000688953 [0,1,0,0,0,0|1,0,2]=4 1769 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,1,0,0,0,0|1,0,2]=4 1770 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,1,0,0,0,0|0,0,2]=3 1771 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,1,0,0,0,0|0,0,2]=3 1772 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,1,0,0,0,0|0,0,2]=3 1773 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [0,1,0,0,0,0|1,0,2]=4 1774 B10R0.4 C#CCCOCCNC(=O)C 34a_100000158858_100000688953 [0,1,0,0,0,0|1,0,2]=4 1775 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,1,0,0,0,0|1,0,2]=4 1776 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,1,0,0,0,0|0,0,2]=3 1777 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,1,0,0,0,0|0,0,2]=3 1778 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [0,1,0,0,0,0|1,0,2]=4 1779 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [0,1,0,0,0,0|1,0,2]=4 1780 B10R0.4 C#CCCSCCNC(=O)C 62a_100000189650_100000688953 [0,1,0,0,0,0|1,0,2]=4 1781 B10R0.4 C#CCCSCCNC(=O)C 62a_100000688953_100000189650 [0,1,0,0,0,0|1,0,2]=4 1782 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,1,0,0,0,0|1,0,2]=4 1783 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,1,0,0,0,0|1,0,2]=4 1784 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,1,0,0,0,0|0,0,2]=3 1785 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [0,1,0,0,0,0|1,0,2]=4 1786 B10R0.4 C#CCNCCCNC(=O)C 34a_100000736810_100000184674 [0,1,0,0,0,0|1,0,2]=4 1787 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [0,1,0,0,0,0|1,0,2]=4 1788 B10R0.4 C#CCNCCCSC(=O)C 34a_100000212058_100000038929 [0,1,0,0,0,0|1,0,2]=4 1789 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,1,0,0,0,0|0,0,2]=3 1790 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [0,1,0,0,0,0|1,0,2]=4 1791 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [0,1,0,0,0,0|1,0,2]=4 1792 B10R0.4 C#CCOCCCNC(=O)C 34a_100000752032_100000184674 [0,1,0,0,0,0|1,0,2]=4 1793 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [0,1,0,0,0,0|1,0,2]=4 1794 B10R0.4 C#CCOCCCSC(=O)C 34a_100000210247_100000038929 [0,1,0,0,0,0|1,0,2]=4 1795 B10R0.4 C#CCOCCOCC(=O)C 34a_100000211253_100010402529 [0,1,0,0,0,0|1,0,2]=4 1796 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,1,0,0,0,0|0,0,2]=3 1797 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [0,1,0,0,0,0|1,0,2]=4 1798 B10R0.4 C#CCSCCCSC(=O)C 62a_100000038162_100000038929 [0,1,0,0,0,0|1,0,2]=4 1799 B10R0.4 C/C=C/CCOCC=C(C)C 34a_100016278192_100000761012 [0,1,0,0,0,0|2,0,1]=4 1800 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,1,0,0,0,0|2,0,0]=3 1801 B10R0.4 C/C=C/CCOCCC(C)C 34a_100016278192_100000210312 [0,1,0,0,0,0|2,0,1]=4 1802 B10R0.4 C/C=C/CCOCCC(C)O 34a_100016278192_100012276601 [0,1,0,0,0,0|1,0,2]=4 1803 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,1,0,0,0,0|2,0,0]=3 1804 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,1,0,0,0,0|2,0,0]=3 1805 B10R0.4 C/C=C/CNCCCC(C)C 34a_200000737386_100102629194 [0,1,0,0,0,0|2,0,1]=4 1806 B10R0.4 C/C=C/CNCCNC(=O)N 34a_100020590234_100102629194 [0,1,0,0,0,0|3,0,0]=4 1807 B10R0.4 C/C=C/COCCC=C(C)C 34a_100016270725_100011217483 [0,1,0,0,0,0|2,0,1]=4 1808 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,0,0,0,0|1,0,0]=2 1809 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,0,0,0,0|1,0,0]=2 1810 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,0,0,0,0|1,0,0]=2 1811 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [0,1,0,0,0,0|2,0,0]=3 1812 B10R0.4 C/C=C/COCCCC(C)C 34a_100000210774_100102629194 [0,1,0,0,0,0|2,0,1]=4 1813 B10R0.4 C/C=C/COCCCC(C)C 34a_100016270725_100011214892 [0,1,0,0,0,0|2,0,1]=4 1814 B10R0.4 C/C=C/COCCCC(C)C 7a_100000210774_100102629194 [0,1,0,0,0,0|2,0,1]=4 1815 B10R0.4 C/C=C/COCCCC(C)O 34a_100016270725_200000718107 [0,1,0,0,0,0|1,0,2]=4 1816 B10R0.4 C/C=C/COCCC[N+](=O)[O-] 34a_200000037920_100102629194 [0,1,0,0,0,0|3,0,0]=4 1817 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,1,0,0,0,0|2,0,0]=3 1818 B10R0.4 C/C=C/COCCNC(=O)N 34a_100000181757_100102629194 [0,1,0,0,0,0|3,0,0]=4 1819 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,1,0,0,0,0|2,0,0]=3 1820 B10R0.4 C/C=C/COCCOC(=O)N 34a_100016270725_200011214921 [0,1,0,0,0,0|3,0,0]=4 1821 B10R0.4 C/C=C/COCCOC(=O)N 7a_100000766696_100102629194 [0,1,0,0,0,0|3,0,0]=4 1822 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100011217483_100102629194 [0,1,0,0,0,0|2,0,1]=4 1823 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100102629194_100011217483 [0,1,0,0,0,0|2,0,1]=4 1824 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,1,0,0,0,0|1,0,0]=2 1825 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,1,0,0,0,0|1,0,0]=2 1826 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,1,0,0,0,0|2,0,0]=3 1827 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,1,0,0,0,0|2,0,0]=3 1828 B10R0.4 C/C=C/CSCCCC(C)C 62a_100011214892_100102629194 [0,1,0,0,0,0|2,0,1]=4 1829 B10R0.4 C/C=C/CSCCCC(C)C 62a_100102629194_100011214892 [0,1,0,0,0,0|2,0,1]=4 1830 B10R0.4 C/C=C/CSCCCC(C)O 62a_100102629194_200000718107 [0,1,0,0,0,0|1,0,2]=4 1831 B10R0.4 C/C=C/CSCCCC(C)O 62a_200000718107_100102629194 [0,1,0,0,0,0|1,0,2]=4 1832 B10R0.4 C/C=C/CSCCCN(C)C 62a_100102629194_100000757444 [0,1,0,0,0,0|3,0,0]=4 1833 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,1,0,0,0,0|2,0,0]=3 1834 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,1,0,0,0,0|2,0,0]=3 1835 B10R0.4 C/C=C/CSCCNC(=O)N 62a_100102629194_200000034859 [0,1,0,0,0,0|3,0,0]=4 1836 B10R0.4 C/C=C/CSCCNC(=O)N 62a_200000034859_100102629194 [0,1,0,0,0,0|3,0,0]=4 1837 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,1,0,0,0,0|2,0,0]=3 1838 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,1,0,0,0,0|2,0,0]=3 1839 B10R0.4 C/C=C/CSCCOC(=O)N 62a_100102629194_200011214921 [0,1,0,0,0,0|3,0,0]=4 1840 B10R0.4 C/C=C/CSCCOC(=O)N 62a_200011214921_100102629194 [0,1,0,0,0,0|3,0,0]=4 1841 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,0,0,0,0|1,0,2]=4 1842 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 1843 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 1844 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,1,0,0,0,0|2,0,1]=4 1845 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,1,0,0,0,0|2,0,1]=4 1846 B10R0.4 C=C(C)CCOCC/C=C/C 34a_100016278192_100000730704 [0,1,0,0,0,0|2,0,0]=3 1847 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,1,0,0,0,0|2,0,1]=4 1848 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,0,0,0,0|1,0,2]=4 1849 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,0,0,0,0|1,0,2]=4 1850 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,0,0,0,0|1,0,2]=4 1851 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,1,0,0,0,0|2,0,1]=4 1852 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,1,0,0,0,0|2,0,1]=4 1853 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,1,0,0,0,0|2,0,1]=4 1854 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,1,0,0,0,0|2,0,1]=4 1855 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,1,0,0,0,0|2,0,1]=4 1856 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,1,0,0,0,0|2,0,1]=4 1857 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,1,0,0,0,0|2,0,1]=4 1858 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,1,0,0,0,0|2,0,1]=4 1859 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,1,0,0,0,0|2,0,1]=4 1860 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,1,0,0,0,0|2,0,1]=4 1861 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,1,0,0,0,0|2,0,1]=4 1862 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,1,0,0,0,0|2,0,1]=4 1863 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,1,0,0,0,0|2,0,1]=4 1864 B10R0.4 C=C(C)CCSCCCC#N 62a_100000687738_100000730704 [0,1,0,0,0,0|2,0,1]=4 1865 B10R0.4 C=C(C)CCSCCCC#N 62a_100000730704_100000687738 [0,1,0,0,0,0|2,0,1]=4 1866 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [0,1,0,0,0,0|2,0,0]=3 1867 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [0,1,0,0,0,0|2,0,0]=3 1868 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,0,0,0,0|1,0,2]=4 1869 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,0,0,0,0|1,0,2]=4 1870 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,1,0,0,0,0|2,0,1]=4 1871 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,1,0,0,0,0|2,0,1]=4 1872 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,1,0,0,0,0|2,0,1]=4 1873 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,1,0,0,0,0|2,0,1]=4 1874 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,1,0,0,0,0|2,0,1]=4 1875 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,1,0,0,0,0|2,0,1]=4 1876 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,0,0,0,0|1,0,2]=4 1877 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,1,0,0,0,0|2,0,1]=4 1878 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,1,0,0,0,0|2,0,1]=4 1879 B10R0.4 C=C(C)COCCCC=CC 34a_100020645299_100000748629 [0,1,0,0,0,0|2,0,0]=3 1880 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,1,0,0,0,0|2,0,1]=4 1881 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,1,0,0,0,0|2,0,1]=4 1882 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|1,0,2]=4 1883 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|1,0,2]=4 1884 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|1,0,2]=4 1885 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,1,0,0,0,0|2,0,1]=4 1886 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,1,0,0,0,0|2,0,1]=4 1887 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,1,0,0,0,0|2,0,1]=4 1888 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,1,0,0,0,0|2,0,1]=4 1889 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,1,0,0,0,0|2,0,1]=4 1890 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,1,0,0,0,0|2,0,1]=4 1891 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,1,0,0,0,0|2,0,1]=4 1892 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,1,0,0,0,0|2,0,1]=4 1893 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,1,0,0,0,0|2,0,1]=4 1894 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,1,0,0,0,0|2,0,1]=4 1895 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,1,0,0,0,0|2,0,1]=4 1896 B10R0.4 C=C(C)CSCCCCC#N 62a_100000748629_100000211819 [0,1,0,0,0,0|2,0,1]=4 1897 B10R0.4 C=C(C)CSCCCCC#N 62a_100011219923_100000211660 [0,1,0,0,0,0|2,0,1]=4 1898 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [0,1,0,0,0,0|2,0,0]=3 1899 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [0,1,0,0,0,0|2,0,0]=3 1900 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,0,0,0,0|1,0,2]=4 1901 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,0,0,0,0|1,0,2]=4 1902 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,1,0,0,0,0|2,0,1]=4 1903 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,1,0,0,0,0|2,0,1]=4 1904 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,1,0,0,0,0|2,0,1]=4 1905 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,1,0,0,0,0|2,0,1]=4 1906 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,1,0,0,0,0|2,0,1]=4 1907 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,1,0,0,0,0|2,0,1]=4 1908 B10R0.4 C=C(F)COCCCC=CC 34a_100020645299_100009893438 [0,1,0,0,0,0|2,0,1]=4 1909 B10R0.4 C=C(F)CSCCCCC=O 62a_100000042424_100000139335 [0,1,0,0,0,0|2,0,1]=4 1910 B10R0.4 C=C(F)CSCCCCC=O 62a_100000139335_100000042424 [0,1,0,0,0,0|2,0,1]=4 1911 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,0,0,0,0|0,0,0]=1 1912 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,0,0,0,0|0,0,0]=1 1913 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,0,0,0,0|0,0,0]=1 1914 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,1,0,0,0,0|2,0,0]=3 1915 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,1,0,0,0,0|2,0,0]=3 1916 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,1,0,0,0,0|1,0,1]=3 1917 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,1,0,0,0,0|1,0,1]=3 1918 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,1,0,0,0,0|1,0,1]=3 1919 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,1,0,0,0,0|1,0,1]=3 1920 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,1,0,0,0,0|1,0,1]=3 1921 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,1,0,0,0,0|1,0,1]=3 1922 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,1,0,0,0,0|1,0,1]=3 1923 B10R0.4 C=CCCCCNCC(=C)C 2230a_100000703577_100000748629 [0,1,0,0,0,0|1,0,0]=2 1924 B10R0.4 C=CCCCCNCC(=C)C 34a_100000703577_100000748629 [0,1,0,0,0,0|1,0,0]=2 1925 B10R0.4 C=CCCCCNCC(=C)F 2230a_100000703577_100009893438 [0,1,0,0,0,0|1,0,1]=3 1926 B10R0.4 C=CCCCCNCC(=C)F 34a_100000703577_100009893438 [0,1,0,0,0,0|1,0,1]=3 1927 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,1,0,0,0,0|1,0,0]=2 1928 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,1,0,0,0,0|1,0,0]=2 1929 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,1,0,0,0,0|1,0,0]=2 1930 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,1,0,0,0,0|1,0,0]=2 1931 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,1,0,0,0,0|1,0,0]=2 1932 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,1,0,0,0,0|1,0,1]=3 1933 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,1,0,0,0,0|1,0,1]=3 1934 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,1,0,0,0,0|1,0,1]=3 1935 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,1,0,0,0,0|1,0,1]=3 1936 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,1,0,0,0,0|1,0,1]=3 1937 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,1,0,0,0,0|0,0,2]=3 1938 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,1,0,0,0,0|0,0,2]=3 1939 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,1,0,0,0,0|0,0,2]=3 1940 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,1,0,0,0,0|0,0,2]=3 1941 B10R0.4 C=CCCCCNCC(F)F 2230a_100000703577_100011934356 [0,1,0,0,0,0|2,0,1]=4 1942 B10R0.4 C=CCCCCNCC(F)F 34a_100000703577_100011934356 [0,1,0,0,0,0|2,0,1]=4 1943 B10R0.4 C=CCCCCNCC(F)F 34a_100000765723_100011215482 [0,1,0,0,0,0|2,0,1]=4 1944 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,1,0,0,0,0|0,0,2]=3 1945 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,1,0,0,0,0|0,0,2]=3 1946 B10R0.4 C=CCCCCNC[N+](=O)[O-] 34a_100000703577_100000761209 [0,1,0,0,0,0|2,0,0]=3 1947 B10R0.4 C=CCCCCOCC(=C)C 34a_100000210245_100011215482 [0,1,0,0,0,0|1,0,0]=2 1948 B10R0.4 C=CCCCCOCC(=C)C 34a_100000766645_100000748629 [0,1,0,0,0,0|1,0,0]=2 1949 B10R0.4 C=CCCCCOCC(=C)C 7a_100000766645_100000748629 [0,1,0,0,0,0|1,0,0]=2 1950 B10R0.4 C=CCCCCOCC(=C)F 34a_100000766645_100009893438 [0,1,0,0,0,0|1,0,1]=3 1951 B10R0.4 C=CCCCCOCC(=C)F 34a_200010262243_100011215482 [0,1,0,0,0,0|1,0,1]=3 1952 B10R0.4 C=CCCCCOCC(=C)F 7a_100000766645_100000042424 [0,1,0,0,0,0|1,0,1]=3 1953 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,1,0,0,0,0|0,0,0]=1 1954 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,1,0,0,0,0|1,0,0]=2 1955 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,1,0,0,0,0|1,0,0]=2 1956 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,1,0,0,0,0|1,0,0]=2 1957 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,1,0,0,0,0|1,0,1]=3 1958 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,1,0,0,0,0|1,0,1]=3 1959 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,1,0,0,0,0|1,0,1]=3 1960 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,1,0,0,0,0|1,0,1]=3 1961 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,1,0,0,0,0|1,0,1]=3 1962 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,1,0,0,0,0|0,0,2]=3 1963 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,1,0,0,0,0|0,0,2]=3 1964 B10R0.4 C=CCCCCOCC(F)F 34a_100000743014_100011215482 [0,1,0,0,0,0|2,0,1]=4 1965 B10R0.4 C=CCCCCOCC(F)F 34a_100000766645_100011934356 [0,1,0,0,0,0|2,0,1]=4 1966 B10R0.4 C=CCCCCOCC(F)F 7a_100000766645_100011934356 [0,1,0,0,0,0|2,0,1]=4 1967 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,1,0,0,0,0|1,0,1]=3 1968 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,1,0,0,0,0|1,0,1]=3 1969 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,1,0,0,0,0|0,0,2]=3 1970 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,1,0,0,0,0|0,0,2]=3 1971 B10R0.4 C=CCCCCOC[N+](=O)[O-] 34a_100000766645_100000761209 [0,1,0,0,0,0|2,0,0]=3 1972 B10R0.4 C=CCCCCSCC(=C)C 62a_100000748629_100011215482 [0,1,0,0,0,0|1,0,0]=2 1973 B10R0.4 C=CCCCCSCC(=C)C 62a_100011215482_100000211660 [0,1,0,0,0,0|1,0,0]=2 1974 B10R0.4 C=CCCCCSCC(=C)F 62a_100000042424_100011215482 [0,1,0,0,0,0|1,0,1]=3 1975 B10R0.4 C=CCCCCSCC(=C)F 62a_100011215482_100000042424 [0,1,0,0,0,0|1,0,1]=3 1976 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,1,0,0,0,0|1,0,0]=2 1977 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,1,0,0,0,0|1,0,0]=2 1978 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,1,0,0,0,0|1,0,0]=2 1979 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,1,0,0,0,0|1,0,0]=2 1980 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,1,0,0,0,0|1,0,1]=3 1981 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,1,0,0,0,0|1,0,1]=3 1982 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,1,0,0,0,0|0,0,2]=3 1983 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,1,0,0,0,0|0,0,2]=3 1984 B10R0.4 C=CCCCCSCC(F)F 62a_100011215482_100011934356 [0,1,0,0,0,0|2,0,1]=4 1985 B10R0.4 C=CCCCCSCC(F)F 62a_100011934356_100011215482 [0,1,0,0,0,0|2,0,1]=4 1986 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,1,0,0,0,0|0,0,2]=3 1987 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,1,0,0,0,0|0,0,2]=3 1988 B10R0.4 C=CCCCCSC[N+](=O)[O-] 62a_100011215482_100000761209 [0,1,0,0,0,0|2,0,0]=3 1989 B10R0.4 C=CCCCNCC=C(C)C 2230a_100000700776_100000761012 [0,1,0,0,0,0|1,0,1]=3 1990 B10R0.4 C=CCCCNCC=C(C)C 34a_100000700776_100000761012 [0,1,0,0,0,0|1,0,1]=3 1991 B10R0.4 C=CCCCNCC=C(C)C 34a_100000718196_100000757094 [0,1,0,0,0,0|1,0,1]=3 1992 B10R0.4 C=CCCCNCCC(=C)C 2230a_100000700776_100000730704 [0,1,0,0,0,0|1,0,0]=2 1993 B10R0.4 C=CCCCNCCC(=C)C 34a_100000700776_100000730704 [0,1,0,0,0,0|1,0,0]=2 1994 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,1,0,0,0,0|1,0,0]=2 1995 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,1,0,0,0,0|1,0,0]=2 1996 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [0,1,0,0,0,0|1,0,1]=3 1997 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [0,1,0,0,0,0|1,0,1]=3 1998 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [0,1,0,0,0,0|1,0,1]=3 1999 B10R0.4 C=CCCCNCCC(C)O 2230a_100000700776_100012276601 [0,1,0,0,0,0|0,0,2]=3 2000 B10R0.4 C=CCCCNCCC(C)O 2230a_200000755665_100011713584 [0,1,0,0,0,0|0,0,2]=3 2001 B10R0.4 C=CCCCNCCC(C)O 34a_100000700776_100012276601 [0,1,0,0,0,0|0,0,2]=3 2002 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [0,1,0,0,0,0|1,0,0]=2 2003 B10R0.4 C=CCCCNCOC(C)C 2230a_100000700776_100000709892 [0,1,0,0,0,0|2,0,1]=4 2004 B10R0.4 C=CCCCNCOC(C)C 34a_100000700776_100000709892 [0,1,0,0,0,0|2,0,1]=4 2005 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [0,1,0,0,0,0|2,0,0]=3 2006 B10R0.4 C=CCCCOCC=C(C)C 34a_100000753907_100000757094 [0,1,0,0,0,0|1,0,1]=3 2007 B10R0.4 C=CCCCOCC=C(C)C 34a_100000758997_100000761012 [0,1,0,0,0,0|1,0,1]=3 2008 B10R0.4 C=CCCCOCC=C(C)C 7a_100000758997_100000761012 [0,1,0,0,0,0|1,0,1]=3 2009 B10R0.4 C=CCCCOCCC(=C)Br 34a_100009813270_100000757094 [0,1,0,0,0,0|1,0,1]=3 2010 B10R0.4 C=CCCCOCCC(=C)C 34a_100000758997_100000730704 [0,1,0,0,0,0|1,0,0]=2 2011 B10R0.4 C=CCCCOCCC(=C)C 34a_100000764851_100000757094 [0,1,0,0,0,0|1,0,0]=2 2012 B10R0.4 C=CCCCOCCC(=C)C 7a_100000758997_100000730704 [0,1,0,0,0,0|1,0,0]=2 2013 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,1,0,0,0,0|0,0,0]=1 2014 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,1,0,0,0,0|0,0,0]=1 2015 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,1,0,0,0,0|0,0,0]=1 2016 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,1,0,0,0,0|1,0,0]=2 2017 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,1,0,0,0,0|1,0,0]=2 2018 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,1,0,0,0,0|1,0,0]=2 2019 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,1,0,0,0,0|1,0,0]=2 2020 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,1,0,0,0,0|1,0,1]=3 2021 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,1,0,0,0,0|1,0,1]=3 2022 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,1,0,0,0,0|1,0,1]=3 2023 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,1,0,0,0,0|1,0,1]=3 2024 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,1,0,0,0,0|1,0,1]=3 2025 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,1,0,0,0,0|0,0,2]=3 2026 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,1,0,0,0,0|0,0,2]=3 2027 B10R0.4 C=CCCCOCCC(F)F 34a_100103093639_100000757094 [0,1,0,0,0,0|2,0,1]=4 2028 B10R0.4 C=CCCCOCCN(C)C 7a_100000758997_100000755713 [0,1,0,0,0,0|2,0,0]=3 2029 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,1,0,0,0,0|1,0,1]=3 2030 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [0,1,0,0,0,0|1,0,0]=2 2031 B10R0.4 C=CCCCOCOC(C)C 34a_100000758997_100000709892 [0,1,0,0,0,0|2,0,1]=4 2032 B10R0.4 C=CCCCSCC=C(C)C 62a_100000761012_100000757094 [0,1,0,0,0,0|1,0,1]=3 2033 B10R0.4 C=CCCCSCC=C(C)C 62a_100011713584_100000761012 [0,1,0,0,0,0|1,0,1]=3 2034 B10R0.4 C=CCCCSCCC(=C)C 62a_100000730704_100000757094 [0,1,0,0,0,0|1,0,0]=2 2035 B10R0.4 C=CCCCSCCC(=C)C 62a_100011713584_100000730704 [0,1,0,0,0,0|1,0,0]=2 2036 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,1,0,0,0,0|0,0,0]=1 2037 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,1,0,0,0,0|0,0,0]=1 2038 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,1,0,0,0,0|1,0,0]=2 2039 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,1,0,0,0,0|1,0,0]=2 2040 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [0,1,0,0,0,0|1,0,1]=3 2041 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [0,1,0,0,0,0|1,0,1]=3 2042 B10R0.4 C=CCCCSCCC(C)O 62a_100011713584_100012276601 [0,1,0,0,0,0|0,0,2]=3 2043 B10R0.4 C=CCCCSCCC(C)O 62a_100012276601_100000757094 [0,1,0,0,0,0|0,0,2]=3 2044 B10R0.4 C=CCCCSCCN(C)C 62a_100011713584_100000755713 [0,1,0,0,0,0|2,0,0]=3 2045 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [0,1,0,0,0,0|1,0,0]=2 2046 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [0,1,0,0,0,0|1,0,0]=2 2047 B10R0.4 C=CCCCSCOC(C)C 62a_100000709892_100000757094 [0,1,0,0,0,0|2,0,1]=4 2048 B10R0.4 C=CCCCSCOC(C)C 62a_100011713584_100000709892 [0,1,0,0,0,0|2,0,1]=4 2049 B10R0.4 C=CCCNCCC=C(C)C 2230a_100015191253_100011217483 [0,1,0,0,0,0|1,0,1]=3 2050 B10R0.4 C=CCCNCCC=C(F)F 2230a_100015191253_200009816681 [0,1,0,0,0,0|2,0,1]=4 2051 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,1,0,0,0,0|1,0,0]=2 2052 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [0,1,0,0,0,0|1,0,1]=3 2053 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [0,1,0,0,0,0|1,0,1]=3 2054 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [0,1,0,0,0,0|1,0,1]=3 2055 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [0,1,0,0,0,0|0,0,2]=3 2056 B10R0.4 C=CCCNCCCS(=O)C 2230a_200000753449_100000754431 [0,1,0,0,0,0|1,0,0]=2 2057 B10R0.4 C=CCCNCCNC(=O)C 2230a_100000209853_100000754431 [0,1,0,0,0,0|1,0,0]=2 2058 B10R0.4 C=CCCNCCNC(=O)C 2230a_100015191253_100000189650 [0,1,0,0,0,0|1,0,0]=2 2059 B10R0.4 C=CCCNCCNC(=O)N 2230a_100015191253_200000034859 [0,1,0,0,0,0|2,0,0]=3 2060 B10R0.4 C=CCCNCCNC(=O)N 34a_100020590234_100000754431 [0,1,0,0,0,0|2,0,0]=3 2061 B10R0.4 C=CCCNCCOC(C)C 2230a_100000701111_100000754431 [0,1,0,0,0,0|2,0,1]=4 2062 B10R0.4 C=CCCNCCOC(C)C 2230a_100015191253_100000211751 [0,1,0,0,0,0|2,0,1]=4 2063 B10R0.4 C=CCCNCCOC(C)C 34a_100000701111_100000754431 [0,1,0,0,0,0|2,0,1]=4 2064 B10R0.4 C=CCCNCCSC(C)C 2230a_100000731138_100000754431 [0,1,0,0,0,0|2,0,1]=4 2065 B10R0.4 C=CCCNCCSC(C)C 2230a_100015191253_100000730970 [0,1,0,0,0,0|2,0,1]=4 2066 B10R0.4 C=CCCNCCSC(C)C 34a_100000731138_100000754431 [0,1,0,0,0,0|2,0,1]=4 2067 B10R0.4 C=CCCOCCC=C(C)C 34a_100011205117_100011217483 [0,1,0,0,0,0|1,0,1]=3 2068 B10R0.4 C=CCCOCCC=C(F)F 34a_100011205117_200009816681 [0,1,0,0,0,0|2,0,1]=4 2069 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,1,0,0,0,0|0,0,0]=1 2070 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,1,0,0,0,0|0,0,0]=1 2071 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,1,0,0,0,0|0,0,0]=1 2072 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,1,0,0,0,0|1,0,0]=2 2073 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [0,1,0,0,0,0|1,0,1]=3 2074 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [0,1,0,0,0,0|1,0,1]=3 2075 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [0,1,0,0,0,0|1,0,1]=3 2076 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [0,1,0,0,0,0|0,0,2]=3 2077 B10R0.4 C=CCCOCCC[N+](=O)[O-] 34a_200000037920_100000754431 [0,1,0,0,0,0|2,0,0]=3 2078 B10R0.4 C=CCCOCCNC(=O)C 34a_100000158858_100000754431 [0,1,0,0,0,0|1,0,0]=2 2079 B10R0.4 C=CCCOCCNC(=O)N 34a_100000181757_100000754431 [0,1,0,0,0,0|2,0,0]=3 2080 B10R0.4 C=CCCOCCNC(C)C 34a_100000224655_100000754431 [0,1,0,0,0,0|2,0,1]=4 2081 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,1,0,0,0,0|1,0,0]=2 2082 B10R0.4 C=CCCOCCOC(=O)N 34a_100011205117_200011214921 [0,1,0,0,0,0|2,0,0]=3 2083 B10R0.4 C=CCCOCCOC(=O)N 7a_100000766696_100000754431 [0,1,0,0,0,0|2,0,0]=3 2084 B10R0.4 C=CCCOCCOC(C)C 34a_100000211219_100000754431 [0,1,0,0,0,0|2,0,1]=4 2085 B10R0.4 C=CCCOCCOC(C)C 34a_100011205117_100000211751 [0,1,0,0,0,0|2,0,1]=4 2086 B10R0.4 C=CCCOCCOC(C)C 7a_100000211219_100000754431 [0,1,0,0,0,0|2,0,1]=4 2087 B10R0.4 C=CCCOCCSC(C)C 34a_100011205117_100000730970 [0,1,0,0,0,0|2,0,1]=4 2088 B10R0.4 C=CCCOCCSC(C)C 34a_200011212901_100000754431 [0,1,0,0,0,0|2,0,1]=4 2089 B10R0.4 C=CCCOCCSC(C)C 7a_200011212901_100000754431 [0,1,0,0,0,0|2,0,1]=4 2090 B10R0.4 C=CCCSCCC=C(C)C 62a_100000754431_100011217483 [0,1,0,0,0,0|1,0,1]=3 2091 B10R0.4 C=CCCSCCC=C(C)C 62a_100011217483_100000754431 [0,1,0,0,0,0|1,0,1]=3 2092 B10R0.4 C=CCCSCCC=C(F)F 62a_100000754431_200009816681 [0,1,0,0,0,0|2,0,1]=4 2093 B10R0.4 C=CCCSCCC=C(F)F 62a_200009816681_100000754431 [0,1,0,0,0,0|2,0,1]=4 2094 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,1,0,0,0,0|0,0,0]=1 2095 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,1,0,0,0,0|0,0,0]=1 2096 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,1,0,0,0,0|1,0,0]=2 2097 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,1,0,0,0,0|1,0,0]=2 2098 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [0,1,0,0,0,0|1,0,1]=3 2099 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [0,1,0,0,0,0|1,0,1]=3 2100 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [0,1,0,0,0,0|0,0,2]=3 2101 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [0,1,0,0,0,0|0,0,2]=3 2102 B10R0.4 C=CCCSCCCN(C)C 62a_100000754431_100000757444 [0,1,0,0,0,0|2,0,0]=3 2103 B10R0.4 C=CCCSCCNC(=O)C 62a_100000189650_100000754431 [0,1,0,0,0,0|1,0,0]=2 2104 B10R0.4 C=CCCSCCNC(=O)C 62a_100000754431_100000189650 [0,1,0,0,0,0|1,0,0]=2 2105 B10R0.4 C=CCCSCCNC(=O)N 62a_100000754431_200000034859 [0,1,0,0,0,0|2,0,0]=3 2106 B10R0.4 C=CCCSCCNC(=O)N 62a_200000034859_100000754431 [0,1,0,0,0,0|2,0,0]=3 2107 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,1,0,0,0,0|1,0,0]=2 2108 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,1,0,0,0,0|1,0,0]=2 2109 B10R0.4 C=CCCSCCOC(=O)N 62a_100000754431_200011214921 [0,1,0,0,0,0|2,0,0]=3 2110 B10R0.4 C=CCCSCCOC(=O)N 62a_200011214921_100000754431 [0,1,0,0,0,0|2,0,0]=3 2111 B10R0.4 C=CCCSCCOC(C)C 62a_100000211751_100000754431 [0,1,0,0,0,0|2,0,1]=4 2112 B10R0.4 C=CCCSCCOC(C)C 62a_100000754431_100000211751 [0,1,0,0,0,0|2,0,1]=4 2113 B10R0.4 C=CCCSCCSC(C)C 62a_100000730970_100000754431 [0,1,0,0,0,0|2,0,1]=4 2114 B10R0.4 C=CCCSCCSC(C)C 62a_100000754431_100000730970 [0,1,0,0,0,0|2,0,1]=4 2115 B10R0.4 C=CCNCCCCB(O)O 2230a_100020586998_200009817182 [0,1,0,0,0,0|2,0,1]=4 2116 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,1,0,0,0,0|1,0,0]=2 2117 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [0,1,0,0,0,0|1,0,1]=3 2118 B10R0.4 C=CCNCCCNC(=O)C 34a_100000736810_100015514636 [0,1,0,0,0,0|1,0,0]=2 2119 B10R0.4 C=CCNCCCOC(=S)C 2230a_100020586998_200135323944 [0,1,0,0,0,0|1,1,0]=3 2120 B10R0.4 C=CCNCCCOC(C)C 2230a_100000737246_100000210623 [0,1,0,0,0,0|2,0,1]=4 2121 B10R0.4 C=CCNCCCOC(C)C 34a_100000737246_100015514636 [0,1,0,0,0,0|2,0,1]=4 2122 B10R0.4 C=CCNCCCSC(=O)C 2230a_100020586998_100000038929 [0,1,0,0,0,0|1,0,0]=2 2123 B10R0.4 C=CCNCCOCC(=O)N 2230a_100020586998_100000076697 [0,1,0,0,0,0|2,0,0]=3 2124 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [0,1,0,0,0,0|2,0,0]=3 2125 B10R0.4 C=CCOCCCCB(O)O 34a_200000210373_200009817182 [0,1,0,0,0,0|2,0,1]=4 2126 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,1,0,0,0,0|0,0,0]=1 2127 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,1,0,0,0,0|1,0,0]=2 2128 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,1,0,0,0,0|1,0,0]=2 2129 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [0,1,0,0,0,0|1,0,1]=3 2130 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [0,1,0,0,0,0|1,0,1]=3 2131 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [0,1,0,0,0,0|1,0,1]=3 2132 B10R0.4 C=CCOCCCC[N+](=O)[O-] 34a_200015379883_100015514636 [0,1,0,0,0,0|2,0,0]=3 2133 B10R0.4 C=CCOCCCC[N+](=O)[O-] 7a_200015379883_100015514636 [0,1,0,0,0,0|2,0,0]=3 2134 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [0,1,0,0,0,0|1,0,0]=2 2135 B10R0.4 C=CCOCCCNC(C)C 34a_100000182298_100015514636 [0,1,0,0,0,0|2,0,1]=4 2136 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,1,0,0,0,0|1,0,0]=2 2137 B10R0.4 C=CCOCCCOC(=S)C 34a_200000210373_200135323944 [0,1,0,0,0,0|1,1,0]=3 2138 B10R0.4 C=CCOCCCSC(=O)C 34a_200000210373_100000038929 [0,1,0,0,0,0|1,0,0]=2 2139 B10R0.4 C=CCOCCNCC(C)C 34a_100015185251_100015514636 [0,1,0,0,0,0|2,0,1]=4 2140 B10R0.4 C=CCOCCOCC(=C)C 34a_100000037705_100000748629 [0,1,0,0,0,0|2,0,0]=3 2141 B10R0.4 C=CCOCCOCC(=C)C 7a_100000037705_100000748629 [0,1,0,0,0,0|2,0,0]=3 2142 B10R0.4 C=CCOCCOCC(=C)F 34a_100000037705_100009893438 [0,1,0,0,0,0|2,0,1]=4 2143 B10R0.4 C=CCOCCOCC(=C)F 7a_100000037705_100000042424 [0,1,0,0,0,0|2,0,1]=4 2144 B10R0.4 C=CCOCCOCC(=O)N 34a_100000037705_100000187820 [0,1,0,0,0,0|2,0,0]=3 2145 B10R0.4 C=CCOCCOCC(=O)N 34a_200000210373_100000076697 [0,1,0,0,0,0|2,0,0]=3 2146 B10R0.4 C=CCOCCOCC(=O)N 7a_100000037705_100000187820 [0,1,0,0,0,0|2,0,0]=3 2147 B10R0.4 C=CCOCCOCC(=O)[O-] 34a_100000037705_100020667443 [0,1,0,0,0,0|2,0,0]=3 2148 B10R0.4 C=CCOCCOCC(C)C 34a_100000037705_100000210624 [0,1,0,0,0,0|2,0,1]=4 2149 B10R0.4 C=CCOCCOCC(C)C 34a_100000703358_100015514636 [0,1,0,0,0,0|2,0,1]=4 2150 B10R0.4 C=CCOCCOCC(C)C 7a_100000037705_100000210760 [0,1,0,0,0,0|2,0,1]=4 2151 B10R0.4 C=CCOCCOCC(C)C 7a_100000703358_100015514636 [0,1,0,0,0,0|2,0,1]=4 2152 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [0,1,0,0,0,0|1,0,2]=4 2153 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [0,1,0,0,0,0|1,0,2]=4 2154 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [0,1,0,0,0,0|1,0,2]=4 2155 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [0,1,0,0,0,0|1,0,2]=4 2156 B10R0.4 C=CCOCCOC[N+](=O)[O-] 34a_100000037705_100000761209 [0,1,0,0,0,0|3,0,0]=4 2157 B10R0.4 C=CCOCCSCC(C)C 34a_200000230437_100015514636 [0,1,0,0,0,0|2,0,1]=4 2158 B10R0.4 C=CCOCCSCC(C)C 7a_200000230437_100015514636 [0,1,0,0,0,0|2,0,1]=4 2159 B10R0.4 C=CCSCCCCB(O)O 62a_100000210623_200009817182 [0,1,0,0,0,0|2,0,1]=4 2160 B10R0.4 C=CCSCCCCB(O)O 62a_200009817182_100000210623 [0,1,0,0,0,0|2,0,1]=4 2161 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,1,0,0,0,0|0,0,0]=1 2162 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,1,0,0,0,0|0,0,0]=1 2163 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [0,1,0,0,0,0|1,0,1]=3 2164 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [0,1,0,0,0,0|1,0,1]=3 2165 B10R0.4 C=CCSCCCCN(C)C 62a_100000210623_100000690147 [0,1,0,0,0,0|2,0,0]=3 2166 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,1,0,0,0,0|1,0,0]=2 2167 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,1,0,0,0,0|1,0,0]=2 2168 B10R0.4 C=CCSCCCOC(=S)C 62a_100000210623_200135323944 [0,1,0,0,0,0|1,1,0]=3 2169 B10R0.4 C=CCSCCCOC(=S)C 62a_200135323944_100000210623 [0,1,0,0,0,0|1,1,0]=3 2170 B10R0.4 C=CCSCCCSC(=O)C 62a_100000038929_100000210623 [0,1,0,0,0,0|1,0,0]=2 2171 B10R0.4 C=CCSCCCSC(=O)C 62a_100000210623_100000038929 [0,1,0,0,0,0|1,0,0]=2 2172 B10R0.4 C=CCSCCOCC(=O)N 62a_100000076697_100000210623 [0,1,0,0,0,0|2,0,0]=3 2173 B10R0.4 C=CCSCCOCC(=O)N 62a_100000210623_100000076697 [0,1,0,0,0,0|2,0,0]=3 2174 B10R0.4 C=COCCCCOC(C)C 34a_100000031558_100000210206 [0,1,0,0,0,0|2,0,1]=4 2175 B10R0.4 C=COCCCCOC(C)C 7a_100000031558_100000210206 [0,1,0,0,0,0|2,0,1]=4 2176 B10R0.4 C=COCCCNCC(=C)C 2230a_100000210767_100000748629 [0,1,0,0,0,0|2,0,0]=3 2177 B10R0.4 C=COCCCNCC(=C)C 34a_100000210767_100000748629 [0,1,0,0,0,0|2,0,0]=3 2178 B10R0.4 C=COCCCNCC(=C)F 2230a_100000210767_100009893438 [0,1,0,0,0,0|2,0,1]=4 2179 B10R0.4 C=COCCCNCC(=C)F 34a_100000210767_100009893438 [0,1,0,0,0,0|2,0,1]=4 2180 B10R0.4 C=COCCCNCC(=O)N 2230a_100000210767_100000747473 [0,1,0,0,0,0|2,0,0]=3 2181 B10R0.4 C=COCCCNCC(=O)N 34a_100000210767_100000187820 [0,1,0,0,0,0|2,0,0]=3 2182 B10R0.4 C=COCCCNCC(=O)[O-] 34a_100000210767_100020667443 [0,1,0,0,0,0|2,0,0]=3 2183 B10R0.4 C=COCCCNCC(C)C 2230a_100000210767_100000210760 [0,1,0,0,0,0|2,0,1]=4 2184 B10R0.4 C=COCCCNCC(C)C 270004a_100000210767_100000210432 [0,1,0,0,0,0|2,0,1]=4 2185 B10R0.4 C=COCCCNCC(C)C 34a_100000210767_100000210624 [0,1,0,0,0,0|2,0,1]=4 2186 B10R0.4 C=COCCCNCC(C)O 2230a_100000210767_100011218427 [0,1,0,0,0,0|1,0,2]=4 2187 B10R0.4 C=COCCCNCC(C)O 34a_100000210767_100011218427 [0,1,0,0,0,0|1,0,2]=4 2188 B10R0.4 C=COCCCNC[C@@H](C)O 2230a_100000210767_100009817552 [0,1,0,0,0,0|1,0,2]=4 2189 B10R0.4 C=COCCCNC[C@@H](C)O 34a_100000210767_100009817552 [0,1,0,0,0,0|1,0,2]=4 2190 B10R0.4 C=COCCCNC[N+](=O)[O-] 34a_100000210767_100000761209 [0,1,0,0,0,0|3,0,0]=4 2191 B10R0.4 C=COCCNCC=C(C)C 34a_100000718196_100000039644 [0,1,0,0,0,0|2,0,1]=4 2192 B10R0.4 C=COCCNCCC(C)O 2230a_200000755665_100000039644 [0,1,0,0,0,0|1,0,2]=4 2193 B10R0.4 C=COCCNOCC(=O)O 269956a_100000106656_100000039644 [0,1,0,0,0,0|3,0,0]=4 2194 B10R0.4 C=COCCOCC=C(C)C 34a_100000033082_100000761012 [0,1,0,0,0,0|2,0,1]=4 2195 B10R0.4 C=COCCOCC=C(C)C 34a_100000753907_100000039644 [0,1,0,0,0,0|2,0,1]=4 2196 B10R0.4 C=COCCOCCC(=C)Br 34a_100009813270_100000039644 [0,1,0,0,0,0|2,0,1]=4 2197 B10R0.4 C=COCCOCCC(=C)C 34a_100000033082_100000730704 [0,1,0,0,0,0|2,0,0]=3 2198 B10R0.4 C=COCCOCCC(=C)C 34a_100000764851_100000039644 [0,1,0,0,0,0|2,0,0]=3 2199 B10R0.4 C=COCCOCCC(=O)C 34a_100000759926_100000039644 [0,1,0,0,0,0|1,0,0]=2 2200 B10R0.4 C=COCCOCCC(=O)C 7a_100000759926_100000039644 [0,1,0,0,0,0|1,0,0]=2 2201 B10R0.4 C=COCCOCCC(=O)N 34a_100000033082_100000731001 [0,1,0,0,0,0|2,0,0]=3 2202 B10R0.4 C=COCCOCCC(=O)N 34a_100000757172_100000039644 [0,1,0,0,0,0|2,0,0]=3 2203 B10R0.4 C=COCCOCCC(=O)N 7a_100000757172_100000039644 [0,1,0,0,0,0|2,0,0]=3 2204 B10R0.4 C=COCCOCCC(C)Br 34a_100009893172_100000039644 [0,1,0,0,0,0|2,0,1]=4 2205 B10R0.4 C=COCCOCCC(C)C 34a_100000033082_100000210312 [0,1,0,0,0,0|2,0,1]=4 2206 B10R0.4 C=COCCOCCC(C)C 34a_100000210254_100000039644 [0,1,0,0,0,0|2,0,1]=4 2207 B10R0.4 C=COCCOCCC(C)C 7a_100000210254_100000039644 [0,1,0,0,0,0|2,0,1]=4 2208 B10R0.4 C=COCCOCCC(C)O 34a_100000033082_100012276601 [0,1,0,0,0,0|1,0,2]=4 2209 B10R0.4 C=COCCOCC[C@@H](C)N 34a_100000706166_100000039644 [0,1,0,0,0,0|2,0,1]=4 2210 B10R0.4 C=COCCOCOC(=O)C 34a_100000033082_100009813279 [0,1,0,0,0,0|2,0,0]=3 2211 B10R0.4 C=COCCSCC=C(C)C 62a_100000039644_100000761012 [0,1,0,0,0,0|2,0,1]=4 2212 B10R0.4 C=COCCSCC=C(C)C 62a_100000761012_100000039644 [0,1,0,0,0,0|2,0,1]=4 2213 B10R0.4 C=COCCSCCC(=C)C 62a_100000039644_100000730704 [0,1,0,0,0,0|2,0,0]=3 2214 B10R0.4 C=COCCSCCC(=C)C 62a_100000730704_100000039644 [0,1,0,0,0,0|2,0,0]=3 2215 B10R0.4 C=COCCSCCC(=O)C 62a_100000039644_100000053229 [0,1,0,0,0,0|1,0,0]=2 2216 B10R0.4 C=COCCSCCC(=O)C 62a_100000053229_100000039644 [0,1,0,0,0,0|1,0,0]=2 2217 B10R0.4 C=COCCSCCC(=O)N 62a_100000039644_100000744528 [0,1,0,0,0,0|2,0,0]=3 2218 B10R0.4 C=COCCSCCC(=O)N 62a_100000744528_100000039644 [0,1,0,0,0,0|2,0,0]=3 2219 B10R0.4 C=COCCSCCC(C)C 62a_100000039644_100000210312 [0,1,0,0,0,0|2,0,1]=4 2220 B10R0.4 C=COCCSCCC(C)C 62a_100000210312_100000039644 [0,1,0,0,0,0|2,0,1]=4 2221 B10R0.4 C=COCCSCCC(C)O 62a_100000039644_100012276601 [0,1,0,0,0,0|1,0,2]=4 2222 B10R0.4 C=COCCSCCC(C)O 62a_100012276601_100000039644 [0,1,0,0,0,0|1,0,2]=4 2223 B10R0.4 C=COCCSCCN(C)C 62a_100000039644_100000755713 [0,1,0,0,0,0|3,0,0]=4 2224 B10R0.4 C=COCCSCOC(=O)C 62a_100000039644_100000076356 [0,1,0,0,0,0|2,0,0]=3 2225 B10R0.4 C=COCCSCOC(=O)C 62a_100000076356_100000039644 [0,1,0,0,0,0|2,0,0]=3 2226 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,1,0,0,0,0|0,0,3]=4 2227 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,1,0,0,0,0|0,0,3]=4 2228 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,1,0,0,0,0|0,0,3]=4 2229 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,1,0,0,0,0|0,0,3]=4 2230 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,1,0,0,0,0|0,0,3]=4 2231 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,1,0,0,0,0|0,0,3]=4 2232 B10R0.4 CC(=CCSCCCC=O)C 62a_100000761012_200011292268 [0,1,0,0,0,0|2,0,1]=4 2233 B10R0.4 CC(=CCSCCCC=O)C 62a_200011292268_100000761012 [0,1,0,0,0,0|2,0,1]=4 2234 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,0,0,0,0|0,0,2]=3 2235 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|0,0,2]=3 2236 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|0,0,2]=3 2237 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,1,0,0,0,0|2,0,0]=3 2238 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,0,0,0,0|1,0,1]=3 2239 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|1,0,1]=3 2240 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,0,0,0,0|1,0,1]=3 2241 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,0,0,0,0|1,0,1]=3 2242 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,1,0,0,0,0|1,0,1]=3 2243 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,1,0,0,0,0|1,0,1]=3 2244 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,1,0,0,0,0|1,0,0]=2 2245 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,1,0,0,0,0|1,0,0]=2 2246 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,0,0,0,0|1,0,1]=3 2247 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,0,0,0,0|1,0,1]=3 2248 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|1,0,1]=3 2249 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|1,0,1]=3 2250 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|1,0,1]=3 2251 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,1,0,0,0,0|1,0,1]=3 2252 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|1,0,1]=3 2253 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|1,0,1]=3 2254 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|1,0,1]=3 2255 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|1,0,1]=3 2256 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|1,0,1]=3 2257 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|1,0,1]=3 2258 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|1,0,1]=3 2259 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|1,0,1]=3 2260 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,1,0,0,0,0|2,0,0]=3 2261 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,1,0,0,0,0|1,0,1]=3 2262 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,1,0,0,0,0|1,0,1]=3 2263 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|1,0,1]=3 2264 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|1,0,1]=3 2265 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|1,0,1]=3 2266 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|1,0,1]=3 2267 B10R0.4 CC(=O)CCCSCSC#N 62a_100000211825_100011215641 [0,1,0,0,0,0|2,0,1]=4 2268 B10R0.4 CC(=O)CCCSCSC#N 62a_100011215641_100000211825 [0,1,0,0,0,0|2,0,1]=4 2269 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,1,0,0,0,0|1,0,1]=3 2270 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,1,0,0,0,0|1,0,0]=2 2271 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,0,0,0,0|1,0,1]=3 2272 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,0,0,0,0|1,0,1]=3 2273 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,0,0,0,0|1,0,1]=3 2274 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,0,0,0,0|1,0,1]=3 2275 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,0,0,0,0|1,0,1]=3 2276 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,0,0,0,0|1,0,1]=3 2277 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,1,0,0,0,0|1,0,1]=3 2278 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,1,0,0,0,0|1,0,1]=3 2279 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,1,0,0,0,0|1,0,0]=2 2280 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,1,0,0,0,0|1,0,0]=2 2281 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,0,0,0,0|1,0,1]=3 2282 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,0,0,0,0|1,0,1]=3 2283 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,0,0,0,0|1,0,1]=3 2284 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,0,0,0,0|1,0,1]=3 2285 B10R0.4 CC(=O)CCSCCSC#N 62a_100000034367_100000053229 [0,1,0,0,0,0|2,0,1]=4 2286 B10R0.4 CC(=O)CCSCCSC#N 62a_100000053229_100000034367 [0,1,0,0,0,0|2,0,1]=4 2287 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|1,0,1]=3 2288 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|1,0,1]=3 2289 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,1,0,0,0,0|2,0,1]=4 2290 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,1,0,0,0,0|2,0,1]=4 2291 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,1,0,0,0,0|1,0,1]=3 2292 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,1,0,0,0,0|1,0,1]=3 2293 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,1,0,0,0,0|1,0,1]=3 2294 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,1,0,0,0,0|1,0,1]=3 2295 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|1,0,1]=3 2296 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|1,0,1]=3 2297 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,0,0,0,0|1,0,1]=3 2298 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,0,0,0,0|1,0,1]=3 2299 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 11a_100000101370_100015343762 [0,1,0,0,0,0|3,0,0]=4 2300 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 240690a_100000101370_100015343762 [0,1,0,0,0,0|3,0,0]=4 2301 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,1,0,0,0,0|2,0,1]=4 2302 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,1,0,0,0,0|2,0,0]=3 2303 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,1,0,0,0,0|2,0,1]=4 2304 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,1,0,0,0,0|2,0,1]=4 2305 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,1,0,0,0,0|2,0,0]=3 2306 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,1,0,0,0,0|2,0,1]=4 2307 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,1,0,0,0,0|2,0,1]=4 2308 B10R0.4 CC(=O)NCCNCCC#N 2230a_100000209853_100011215226 [0,1,0,0,0,0|2,0,1]=4 2309 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,1,0,0,0,0|2,0,1]=4 2310 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,1,0,0,0,0|2,0,1]=4 2311 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,1,0,0,0,0|2,0,1]=4 2312 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,1,0,0,0,0|2,0,1]=4 2313 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,0,0,0,0|2,0,1]=4 2314 B10R0.4 CC(=O)NCCSCCC#N 62a_100000189650_100011215226 [0,1,0,0,0,0|2,0,1]=4 2315 B10R0.4 CC(=O)NCCSCCC#N 62a_100011215226_100000189650 [0,1,0,0,0,0|2,0,1]=4 2316 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,1,0,0,0,0|2,0,1]=4 2317 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,1,0,0,0,0|2,0,1]=4 2318 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,1,0,0,0,0|2,0,1]=4 2319 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,1,0,0,0,0|2,0,1]=4 2320 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,0,0,0,0|1,0,1]=3 2321 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,0,0,0,0|1,0,1]=3 2322 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,1,0,0,0,0|2,0,1]=4 2323 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,1,0,0,0,0|2,0,1]=4 2324 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,1,0,0,0,0|2,0,1]=4 2325 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,1,0,0,0,0|2,0,1]=4 2326 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,1,0,0,0,0|2,0,1]=4 2327 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,1,0,0,0,0|2,0,1]=4 2328 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,1,0,0,0,0|2,0,1]=4 2329 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,1,0,0,0,0|2,0,1]=4 2330 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [0,1,0,0,0,0|2,0,1]=4 2331 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [0,1,0,0,0,0|2,0,1]=4 2332 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,1,0,0,0,0|2,0,0]=3 2333 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,1,0,0,0,0|2,0,0]=3 2334 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,1,0,0,0,0|2,0,1]=4 2335 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,1,0,0,0,0|2,0,1]=4 2336 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,1,0,0,0,0|2,0,1]=4 2337 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,1,0,0,0,0|2,0,1]=4 2338 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,1,0,0,0,0|2,0,1]=4 2339 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,1,0,0,0,0|2,0,1]=4 2340 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,1,0,0,0,0|2,0,1]=4 2341 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,1,0,0,0,0|2,0,1]=4 2342 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,1,0,0,0,0|2,0,1]=4 2343 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,1,0,0,0,0|3,0,0]=4 2344 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,1,0,0,0,0|2,0,1]=4 2345 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,1,0,0,0,0|2,0,1]=4 2346 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,1,0,0,0,0|2,0,1]=4 2347 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,1,0,0,0,0|2,0,1]=4 2348 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,1,0,0,0,0|2,0,1]=4 2349 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,1,0,0,0,0|2,0,1]=4 2350 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,1,0,0,0,0|2,0,1]=4 2351 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,1,0,0,0,0|2,0,1]=4 2352 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,1,0,0,0,0|2,0,1]=4 2353 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,1,0,0,0,0|2,0,1]=4 2354 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,1,0,0,0,0|2,0,1]=4 2355 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,1,0,0,0,0|2,0,1]=4 2356 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,1,0,0,0,0|2,0,1]=4 2357 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,1,0,0,0,0|2,0,1]=4 2358 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [0,1,0,0,0,0|2,0,1]=4 2359 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [0,1,0,0,0,0|2,0,1]=4 2360 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,1,0,0,0,0|2,0,0]=3 2361 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,1,0,0,0,0|2,0,0]=3 2362 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,1,0,0,0,0|2,0,1]=4 2363 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,1,0,0,0,0|2,0,1]=4 2364 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,1,0,0,0,0|2,0,1]=4 2365 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,1,0,0,0,0|2,0,1]=4 2366 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,1,0,0,0,0|2,0,1]=4 2367 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,1,0,0,0,0|2,0,1]=4 2368 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,1,0,0,0,0|2,0,1]=4 2369 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,1,0,0,0,0|2,0,1]=4 2370 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,1,0,0,0,0|2,0,1]=4 2371 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,1,0,0,0,0|2,0,1]=4 2372 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,1,0,0,0,0|2,0,1]=4 2373 B10R0.4 CC(=O)SCCCSCC#N 62a_100000038929_100011215382 [0,1,0,0,0,0|2,0,1]=4 2374 B10R0.4 CC(=O)SCCCSCC#N 62a_100011215382_100000038929 [0,1,0,0,0,0|2,0,1]=4 2375 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [0,1,0,0,0,0|2,0,0]=3 2376 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [0,1,0,0,0,0|2,0,0]=3 2377 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,1,0,0,0,0|2,0,1]=4 2378 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,1,0,0,0,0|2,0,1]=4 2379 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,1,0,0,0,0|2,0,1]=4 2380 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,1,0,0,0,0|2,0,1]=4 2381 B10R0.4 CC(=S)OCCCSCC=O 62a_200015260668_200135323944 [0,1,0,0,0,0|2,1,0]=4 2382 B10R0.4 CC(=S)OCCCSCC=O 62a_200135323944_200015260668 [0,1,0,0,0,0|2,1,0]=4 2383 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,1,0,0,0,0|2,0,1]=4 2384 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,1,0,0,0,0|2,0,1]=4 2385 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,1,0,0,0,0|2,0,1]=4 2386 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,1,0,0,0,0|2,0,1]=4 2387 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,1,0,0,0,0|2,0,1]=4 2388 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,1,0,0,0,0|2,0,1]=4 2389 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,1,0,0,0,0|2,0,1]=4 2390 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,1,0,0,0,0|2,0,1]=4 2391 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,1,0,0,0,0|2,0,1]=4 2392 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,1,0,0,0,0|2,0,1]=4 2393 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,1,0,0,0,0|2,0,1]=4 2394 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,1,0,0,0,0|2,0,1]=4 2395 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,1,0,0,0,0|2,0,1]=4 2396 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,1,0,0,0,0|1,0,2]=4 2397 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,1,0,0,0,0|1,0,2]=4 2398 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,1,0,0,0,0|1,0,2]=4 2399 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,1,0,0,0,0|1,0,2]=4 2400 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,1,0,0,0,0|1,0,2]=4 2401 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,1,0,0,0,0|1,0,2]=4 2402 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,0,0,0,0|1,0,2]=4 2403 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 2404 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 2405 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,1,0,0,0,0|1,0,2]=4 2406 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,1,0,0,0,0|1,0,2]=4 2407 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,1,0,0,0,0|2,0,0]=3 2408 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,1,0,0,0,0|2,0,0]=3 2409 B10R0.4 CC=CCCCOCC(C)C 34a_100020645299_100000210624 [0,1,0,0,0,0|2,0,1]=4 2410 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,1,0,0,0,0|1,0,2]=4 2411 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,1,0,0,0,0|1,0,2]=4 2412 B10R0.4 CC=CCCCOC[N+](=O)[O-] 34a_100020645299_100000761209 [0,1,0,0,0,0|3,0,0]=4 2413 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,1,0,0,0,0|2,0,0]=3 2414 B10R0.4 CC=CCNCCCC(C)C 2230a_200000737386_100000070051 [0,1,0,0,0,0|2,0,1]=4 2415 B10R0.4 CC=CCNCCCC(C)C 34a_200000737386_100000070051 [0,1,0,0,0,0|2,0,1]=4 2416 B10R0.4 CC=CCNCCCS(=O)C 2230a_200000753449_100000070051 [0,1,0,0,0,0|2,0,0]=3 2417 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,1,0,0,0,0|2,0,0]=3 2418 B10R0.4 CC=CCNCCNC(=O)N 34a_100020590234_100000070051 [0,1,0,0,0,0|3,0,0]=4 2419 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,0,0,0,0|1,0,0]=2 2420 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,0,0,0,0|1,0,0]=2 2421 B10R0.4 CC=CCOCCCC(C)C 34a_100000210774_100000070051 [0,1,0,0,0,0|2,0,1]=4 2422 B10R0.4 CC=CCOCCCC(C)C 7a_100000210774_100000070051 [0,1,0,0,0,0|2,0,1]=4 2423 B10R0.4 CC=CCOCCC[N+](=O)[O-] 34a_200000037920_100000070051 [0,1,0,0,0,0|3,0,0]=4 2424 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,1,0,0,0,0|2,0,0]=3 2425 B10R0.4 CC=CCOCCNC(=O)N 34a_100000181757_100000070051 [0,1,0,0,0,0|3,0,0]=4 2426 B10R0.4 CC=CCOCCOC(=O)N 7a_100000766696_100000070051 [0,1,0,0,0,0|3,0,0]=4 2427 B10R0.4 CC=CCSCCC=C(C)C 62a_100000070051_100011217483 [0,1,0,0,0,0|2,0,1]=4 2428 B10R0.4 CC=CCSCCC=C(C)C 62a_100011217483_100000070051 [0,1,0,0,0,0|2,0,1]=4 2429 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,1,0,0,0,0|1,0,0]=2 2430 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,1,0,0,0,0|1,0,0]=2 2431 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,1,0,0,0,0|2,0,0]=3 2432 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,1,0,0,0,0|2,0,0]=3 2433 B10R0.4 CC=CCSCCCC(C)C 62a_100000070051_100011214892 [0,1,0,0,0,0|2,0,1]=4 2434 B10R0.4 CC=CCSCCCC(C)C 62a_100011214892_100000070051 [0,1,0,0,0,0|2,0,1]=4 2435 B10R0.4 CC=CCSCCCC(C)O 62a_100000070051_200000718107 [0,1,0,0,0,0|1,0,2]=4 2436 B10R0.4 CC=CCSCCCC(C)O 62a_200000718107_100000070051 [0,1,0,0,0,0|1,0,2]=4 2437 B10R0.4 CC=CCSCCCN(C)C 62a_100000070051_100000757444 [0,1,0,0,0,0|3,0,0]=4 2438 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,1,0,0,0,0|2,0,0]=3 2439 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,1,0,0,0,0|2,0,0]=3 2440 B10R0.4 CC=CCSCCNC(=O)N 62a_100000070051_200000034859 [0,1,0,0,0,0|3,0,0]=4 2441 B10R0.4 CC=CCSCCNC(=O)N 62a_200000034859_100000070051 [0,1,0,0,0,0|3,0,0]=4 2442 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,1,0,0,0,0|2,0,0]=3 2443 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,1,0,0,0,0|2,0,0]=3 2444 B10R0.4 CC=CCSCCOC(=O)N 62a_100000070051_200011214921 [0,1,0,0,0,0|3,0,0]=4 2445 B10R0.4 CC=CCSCCOC(=O)N 62a_200011214921_100000070051 [0,1,0,0,0,0|3,0,0]=4 2446 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|0,0,3]=4 2447 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|0,0,3]=4 2448 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,0,0,0,0|0,0,3]=4 2449 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|0,0,3]=4 2450 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|0,0,3]=4 2451 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|0,0,2]=3 2452 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|0,0,2]=3 2453 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|0,0,2]=3 2454 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|0,0,2]=3 2455 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|0,0,2]=3 2456 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|0,0,2]=3 2457 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|0,0,2]=3 2458 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,0,0,0,0|1,0,2]=4 2459 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,0,0,0,0|1,0,2]=4 2460 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|1,0,2]=4 2461 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|0,0,2]=3 2462 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 2463 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 2464 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|1,0,2]=4 2465 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,0,0,0,0|1,0,2]=4 2466 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,0,0,0,0|1,0,2]=4 2467 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,0,0,0,0|1,0,2]=4 2468 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,0,0,0,0|1,0,2]=4 2469 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|1,0,2]=4 2470 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|0,0,2]=3 2471 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|0,0,2]=3 2472 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|0,0,2]=3 2473 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|1,0,2]=4 2474 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|1,0,2]=4 2475 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|1,0,2]=4 2476 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|1,0,2]=4 2477 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|1,0,2]=4 2478 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|0,0,2]=3 2479 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|0,0,2]=3 2480 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|1,0,2]=4 2481 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|1,0,2]=4 2482 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|1,0,2]=4 2483 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|1,0,2]=4 2484 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|0,0,2]=3 2485 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|1,0,2]=4 2486 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|1,0,2]=4 2487 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,0,0,0,0|1,0,2]=4 2488 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|1,0,2]=4 2489 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|1,0,2]=4 2490 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|1,0,2]=4 2491 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|1,0,2]=4 2492 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|0,0,2]=3 2493 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|0,0,2]=3 2494 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|0,0,2]=3 2495 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|0,0,2]=3 2496 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 2497 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 2498 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|1,0,2]=4 2499 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|1,0,2]=4 2500 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|1,0,2]=4 2501 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|1,0,2]=4 2502 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|1,0,2]=4 2503 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|0,0,2]=3 2504 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|0,0,2]=3 2505 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|1,0,2]=4 2506 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|1,0,2]=4 2507 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 2508 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 2509 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 2510 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|1,0,2]=4 2511 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|1,0,2]=4 2512 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|1,0,2]=4 2513 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|1,0,2]=4 2514 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|1,0,2]=4 2515 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,0,0,0,0|1,0,2]=4 2516 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|1,0,2]=4 2517 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|0,0,2]=3 2518 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,0,0,0,0|1,0,2]=4 2519 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,0,0,0,0|1,0,2]=4 2520 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|1,0,2]=4 2521 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|1,0,2]=4 2522 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|1,0,2]=4 2523 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|1,0,2]=4 2524 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|1,0,2]=4 2525 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|1,0,2]=4 2526 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|1,0,2]=4 2527 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|0,0,2]=3 2528 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|0,0,2]=3 2529 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|1,0,2]=4 2530 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|1,0,2]=4 2531 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|1,0,2]=4 2532 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|1,0,2]=4 2533 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,0,0,0,0|1,0,2]=4 2534 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|1,0,2]=4 2535 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|1,0,2]=4 2536 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|1,0,2]=4 2537 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,0,0,0,0|1,0,2]=4 2538 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,0,0,0,0|1,0,2]=4 2539 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,0,0,0,0|1,0,2]=4 2540 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,0,0,0,0|1,0,2]=4 2541 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|1,0,2]=4 2542 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|1,0,2]=4 2543 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|1,0,2]=4 2544 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|1,0,2]=4 2545 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|1,0,2]=4 2546 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|1,0,2]=4 2547 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|1,0,2]=4 2548 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|1,0,2]=4 2549 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|1,0,2]=4 2550 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|1,0,2]=4 2551 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|1,0,2]=4 2552 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|1,0,2]=4 2553 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|1,0,2]=4 2554 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,0,0,0,0|1,0,2]=4 2555 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,0,0,0,0|1,0,2]=4 2556 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|1,0,2]=4 2557 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|1,0,2]=4 2558 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|1,0,2]=4 2559 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|1,0,2]=4 2560 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|1,0,2]=4 2561 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|1,0,2]=4 2562 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|1,0,2]=4 2563 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|1,0,2]=4 2564 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|1,0,2]=4 2565 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [0,1,0,0,0,0|3,0,0]=4 2566 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [0,1,0,0,0,0|3,0,0]=4 2567 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,0,0,0,0|1,0,1]=3 2568 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,0,0,0,0|1,0,1]=3 2569 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,0,0,0,0|1,0,1]=3 2570 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,0,0,0,0|1,0,1]=3 2571 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,0,0,0,0|1,0,1]=3 2572 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,1,0,0,0,0|2,0,1]=4 2573 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,1,0,0,0,0|2,0,1]=4 2574 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,1,0,0,0,0|2,0,1]=4 2575 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,1,0,0,0,0|2,0,1]=4 2576 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,1,0,0,0,0|2,0,1]=4 2577 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|0,0,2]=3 2578 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,0,0,0,0|1,0,1]=3 2579 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,0,0,0,0|1,0,1]=3 2580 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,0,0,0,0|1,0,1]=3 2581 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,0,0,0,0|1,0,1]=3 2582 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,0,0,0,0|1,0,1]=3 2583 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,1,0,0,0,0|2,0,1]=4 2584 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,0,0,0,0|2,0,1]=4 2585 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,0,0,0,0|1,0,1]=3 2586 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,1,0,0,0,0|2,0,1]=4 2587 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,1,0,0,0,0|2,0,1]=4 2588 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,1,0,0,0,0|2,0,1]=4 2589 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,1,0,0,0,0|2,0,1]=4 2590 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,1,0,0,0,0|2,0,1]=4 2591 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,1,0,0,0,0|2,0,1]=4 2592 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,1,0,0,0,0|2,0,1]=4 2593 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,1,0,0,0,0|2,0,1]=4 2594 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,0,0,0,0|1,0,1]=3 2595 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,0,0,0,0|1,0,1]=3 2596 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,1,0,0,0,0|2,0,1]=4 2597 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,1,0,0,0,0|2,0,1]=4 2598 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,1,0,0,0,0|2,0,1]=4 2599 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,1,0,0,0,0|2,0,1]=4 2600 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,0,0,0,0|1,0,1]=3 2601 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,0,0,0,0|1,0,1]=3 2602 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,1,0,0,0,0|2,0,1]=4 2603 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,1,0,0,0,0|2,0,1]=4 2604 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,1,0,0,0,0|2,0,1]=4 2605 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,1,0,0,0,0|2,0,1]=4 2606 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,1,0,0,0,0|2,0,1]=4 2607 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,1,0,0,0,0|2,0,1]=4 2608 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,1,0,0,0,0|2,0,1]=4 2609 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,1,0,0,0,0|2,0,1]=4 2610 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,0,0,0,0|1,0,1]=3 2611 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,0,0,0,0|1,0,1]=3 2612 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,0,0,0,0|1,0,1]=3 2613 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,0,0,0,0|1,0,1]=3 2614 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,1,0,0,0,0|2,0,1]=4 2615 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 2616 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 2617 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 2618 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,1,0,0,0,0|2,0,1]=4 2619 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,1,0,0,0,0|2,0,1]=4 2620 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,1,0,0,0,0|2,0,1]=4 2621 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,1,0,0,0,0|2,0,1]=4 2622 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,0,0,0,0|1,0,1]=3 2623 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,0,0,0,0|1,0,1]=3 2624 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,1,0,0,0,0|2,0,1]=4 2625 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,1,0,0,0,0|2,0,1]=4 2626 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,1,0,0,0,0|2,0,1]=4 2627 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,1,0,0,0,0|2,0,1]=4 2628 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,1,0,0,0,0|2,0,1]=4 2629 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,1,0,0,0,0|2,0,1]=4 2630 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,0,0,0,0|1,0,1]=3 2631 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,0,0,0,0|1,0,1]=3 2632 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,1,0,0,0,0|2,0,1]=4 2633 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,1,0,0,0,0|2,0,1]=4 2634 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,1,0,0,0,0|2,0,1]=4 2635 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,1,0,0,0,0|2,0,1]=4 2636 B10R0.4 CS(=O)CCCNCCC#N 2230a_200000753449_100011215226 [0,1,0,0,0,0|2,0,1]=4 2637 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,1,0,0,0,0|2,0,1]=4 2638 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,0,0,0,0|2,0,1]=4 2639 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,0,0,0,0|1,0,1]=3 2640 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,0,0,0,0|1,0,1]=3 2641 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,1,0,0,0,0|2,0,1]=4 2642 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,1,0,0,0,0|2,0,1]=4 2643 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,1,0,0,0,0|2,0,1]=4 2644 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,1,0,0,0,0|2,0,1]=4 2645 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,0,0,0,0|1,0,1]=3 2646 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,1,0,0,0,0|2,0,1]=4 2647 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,1,0,0,0,0|2,0,1]=4 2648 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,1,0,0,0,0|2,0,1]=4 2649 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,1,0,0,0,0|2,0,1]=4 2650 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,1,0,0,0,0|2,0,1]=4 2651 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,1,0,0,0,0|2,0,1]=4 2652 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,1,0,0,0,0|2,0,1]=4 2653 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,0,0,0,0|1,0,1]=3 2654 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,0,0,0,0|1,0,1]=3 2655 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,0,0,0,0|1,0,1]=3 2656 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,0,0,0,0|1,0,1]=3 2657 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,1,0,0,0,0|2,0,1]=4 2658 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,1,0,0,0,0|2,0,1]=4 2659 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,1,0,0,0,0|2,0,1]=4 2660 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,1,0,0,0,0|2,0,1]=4 2661 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,1,0,0,0,0|2,0,1]=4 2662 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,1,0,0,0,0|2,0,1]=4 2663 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,1,0,0,0,0|2,0,1]=4 2664 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,1,0,0,0,0|2,0,1]=4 2665 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,0,0,0,0|1,0,1]=3 2666 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,0,0,0,0|1,0,1]=3 2667 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,1,0,0,0,0|2,0,1]=4 2668 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,1,0,0,0,0|2,0,1]=4 2669 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,1,0,0,0,0|2,0,1]=4 2670 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,1,0,0,0,0|2,0,1]=4 2671 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,1,0,0,0,0|2,0,1]=4 2672 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,1,0,0,0,0|2,0,1]=4 2673 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,1,0,0,0,0|2,0,1]=4 2674 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,1,0,0,0,0|2,0,1]=4 2675 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,1,0,0,0,0|2,0,1]=4 2676 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,1,0,0,0,0|2,0,1]=4 2677 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,0,0,0,0|1,0,1]=3 2678 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,0,0,0,0|1,0,1]=3 2679 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,1,0,0,0,0|2,0,1]=4 2680 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,1,0,0,0,0|2,0,1]=4 2681 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,1,0,0,0,0|2,0,1]=4 2682 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,1,0,0,0,0|2,0,1]=4 2683 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,1,0,0,0,0|1,0,2]=4 2684 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,1,0,0,0,0|1,0,2]=4 2685 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [0,1,0,0,0,0|2,0,1]=4 2686 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,1,0,0,0,0|2,0,1]=4 2687 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [0,1,0,0,0,0|2,0,1]=4 2688 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [0,1,0,0,0,0|2,0,1]=4 2689 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100011219923_100020667443 [0,1,0,0,0,0|2,0,1]=4 2690 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100020667443_100000211819 [0,1,0,0,0,0|2,0,1]=4 2691 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [0,1,0,0,0,0|2,0,1]=4 2692 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [0,1,0,0,0,0|2,0,1]=4 2693 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [0,1,0,0,0,0|2,0,1]=4 2694 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [0,1,0,0,0,0|2,0,1]=4 2695 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [0,1,0,0,0,0|2,0,1]=4 2696 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [0,1,0,0,0,0|2,0,1]=4 2697 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,1,0,0,0,0|2,0,1]=4 2698 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,1,0,0,0,0|2,0,1]=4 2699 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,1,0,0,0,0|2,0,1]=4 2700 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,1,0,0,0,0|2,0,1]=4 2701 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [0,1,0,0,0,0|2,0,0]=3 2702 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,1,0,0,0,0|2,0,1]=4 2703 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,0,0,0,0|2,0,1]=4 2704 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,1,0,0,0,0|2,0,0]=3 2705 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,1,0,0,0,0|2,0,0]=3 2706 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,1,0,0,0,0|2,0,1]=4 2707 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,1,0,0,0,0|2,0,1]=4 2708 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,0,0,0,0|2,0,1]=4 2709 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,0,0,0,0|2,0,1]=4 2710 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,1,0,0,0,0|2,0,1]=4 2711 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,1,0,0,0,0|2,0,1]=4 2712 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,1,0,0,0,0|2,0,1]=4 2713 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,1,0,0,0,0|2,0,1]=4 2714 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,1,0,0,0,0|2,0,1]=4 2715 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,1,0,0,0,0|2,0,1]=4 2716 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,1,0,0,0,0|2,0,1]=4 2717 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,1,0,0,0,0|2,0,1]=4 2718 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,1,0,0,0,0|2,0,1]=4 2719 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,1,0,0,0,0|2,0,1]=4 2720 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,1,0,0,0,0|2,0,1]=4 2721 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,1,0,0,0,0|2,0,1]=4 2722 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,1,0,0,0,0|2,0,0]=3 2723 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,1,0,0,0,0|2,0,1]=4 2724 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,1,0,0,0,0|2,0,1]=4 2725 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,1,0,0,0,0|2,0,1]=4 2726 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,1,0,0,0,0|2,0,1]=4 2727 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,1,0,0,0,0|2,0,1]=4 2728 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,1,0,0,0,0|2,0,1]=4 2729 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,1,0,0,0,0|2,0,1]=4 2730 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,1,0,0,0,0|2,0,1]=4 2731 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,0,0,0,0|2,0,1]=4 2732 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,0,0,0,0|2,0,1]=4 2733 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [0,1,0,0,0,0|2,0,0]=3 2734 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [0,1,0,0,0,0|2,0,0]=3 2735 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,1,0,0,0,0|2,0,1]=4 2736 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,1,0,0,0,0|2,0,1]=4 2737 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,1,0,0,0,0|2,0,1]=4 2738 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,1,0,0,0,0|2,0,1]=4 2739 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,1,0,0,0,0|2,0,0]=3 2740 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,1,0,0,0,0|2,0,1]=4 2741 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,0,0,0,0|2,0,1]=4 2742 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,0,0,0,0|2,0,1]=4 2743 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,1]=4 2744 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,1,0,0,0,0|2,0,1]=4 2745 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,1,0,0,0,0|2,0,1]=4 2746 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,1,0,0,0,0|2,0,1]=4 2747 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,1,0,0,0,0|2,0,1]=4 2748 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,1,0,0,0,0|2,0,1]=4 2749 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,1,0,0,0,0|2,0,1]=4 2750 B10R0.4 NC(=O)COCCSCC=O 62a_100000076697_200015260668 [0,1,0,0,0,0|3,0,0]=4 2751 B10R0.4 NC(=O)COCCSCC=O 62a_200015260668_100000076697 [0,1,0,0,0,0|3,0,0]=4 2752 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [0,1,0,0,0,0|2,0,0]=3 2753 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [0,1,0,0,0,0|2,0,0]=3 2754 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,1,0,0,0,0|2,0,1]=4 2755 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,1,0,0,0,0|2,0,1]=4 2756 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,0,0,0,0|2,0,1]=4 2757 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,0,0,0,0|2,0,1]=4 2758 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,1]=4 2759 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,1,0,0,0,0|2,0,1]=4 2760 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,1,0,0,0,0|2,0,1]=4 2761 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,1,0,0,0,0|2,0,1]=4 2762 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [0,1,0,0,0,0|3,0,0]=4 2763 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,0,0,0,0|2,0,1]=4 2764 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,0,0,0,0|2,0,1]=4 2765 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,1,0,0,0,0|2,0,1]=4 2766 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,0,0,0,0|2,0,1]=4 2767 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,1,0,0,0,0|2,0,1]=4 2768 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,1,0,0,0,0|2,0,1]=4 2769 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,1,0,0,0,0|2,0,1]=4 2770 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,1,0,0,0,0|2,0,1]=4 2771 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,1,0,0,0,0|2,0,1]=4 2772 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,0,0,0,0|2,0,1]=4 2773 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,0,0,0,0|2,0,1]=4 2774 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,1,0,0,0,0|2,0,0]=3 2775 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [0,1,0,0,0,0|2,0,0]=3 2776 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [0,1,0,0,0,0|2,0,0]=3 2777 B10R0.4 O=CCCCCSC[N+](=O)[O-] 62a_100000139335_100000761209 [0,1,0,0,0,0|3,0,0]=4 2778 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [0,1,0,0,0,0|3,0,0]=4 2779 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [0,1,0,0,0,0|3,0,0]=4 2780 B10R0.4 O=CCOCCCC[N+](=O)[O-] 34a_200015379883_200009817547 [0,1,0,0,0,0|3,0,0]=4 2781 B10R0.4 O=CCOCCCC[N+](=O)[O-] 7a_200015379883_200015260668 [0,1,0,0,0,0|3,0,0]=4 2782 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|0,0,2]=3 2783 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,1,0,0,0,0|2,0,0]=3 2784 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,1,0,0,0,0|2,0,1]=4 2785 B10R0.6 C=C(C)CN(C)CCCC=O 2230a_100000225649_200011292268 [0,1,0,0,0,0|3,0,0]=4 2786 B10R0.6 C=C(C)CN(C)CCCC=O 269982a_100000225649_200011292268 [0,1,0,0,0,0|3,0,0]=4 2787 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,1,0,0,0,0|1,0,2]=4 2788 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,1,0,0,0,0|1,0,2]=4 2789 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,1,0,0,0,0|1,0,2]=4 2790 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,1,0,0,0,0|1,0,1]=3 2791 B10R0.6 C=CCCCC(=O)CC(=C)F 1458a_100000766728_100009893438 [0,1,0,0,0,0|1,0,2]=4 2792 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100000766728_100000187820 [0,1,0,0,0,0|1,0,1]=3 2793 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100134613110_100000757094 [0,1,0,0,0,0|1,0,1]=3 2794 B10R0.6 C=CCCCC(=O)CC(=O)[O-] 1458a_100000766728_100020667443 [0,1,0,0,0,0|1,0,1]=3 2795 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,1,0,0,0,0|1,0,2]=4 2796 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,1,0,0,0,0|1,0,2]=4 2797 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,1,0,0,0,0|0,0,3]=4 2798 B10R0.6 C=CCCCC(=O)CN(C)C 1458a_100000750896_100000757094 [0,1,0,0,0,0|2,0,1]=4 2799 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,1,0,0,0,0|0,0,3]=4 2800 B10R0.6 C=CCCCC(=O)C[N+](=O)[O-] 1458a_100000766728_100000761209 [0,1,0,0,0,0|2,0,1]=4 2801 B10R0.6 C=CCCCC(=O)C[S+](C)C 1458a_200159257847_100000757094 [0,1,0,0,0,0|2,0,1]=4 2802 B10R0.6 C=CCCCN(C)CC(=C)C 2230a_100000225649_100011713584 [0,1,0,0,0,0|2,0,0]=3 2803 B10R0.6 C=CCCCN(C)CC(=C)C 269982a_100000225649_100000757094 [0,1,0,0,0,0|2,0,0]=3 2804 B10R0.6 C=CCCCN(C)CC(=O)N 2230a_100000739694_100011713584 [0,1,0,0,0,0|2,0,0]=3 2805 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,1,0,0,0,0|2,0,0]=3 2806 B10R0.6 C=CCCCN(C)CC(C)C 2230a_100000747067_100011713584 [0,1,0,0,0,0|2,0,1]=4 2807 B10R0.6 C=CCCCN(C)CC(C)C 269982a_100000747067_100000757094 [0,1,0,0,0,0|2,0,1]=4 2808 B10R0.6 C=CCCCN(C)CC(C)O 2230a_100000227577_100011713584 [0,1,0,0,0,0|1,0,2]=4 2809 B10R0.6 C=CCCCN(C)CC(C)O 269982a_100000227577_100000757094 [0,1,0,0,0,0|1,0,2]=4 2810 B10R0.6 C=CCCNC(=O)CC(=O)N 240690a_100015191253_100134613110 [0,1,0,0,0,0|2,0,1]=4 2811 B10R0.6 C=CCCNC(=O)CC(=O)N 527a_100015191253_100134613110 [0,1,0,0,0,0|2,0,1]=4 2812 B10R0.6 C=CCCNC(C)CC(C)C 2230a_100000692259_100000754431 [0,1,0,0,0,0|2,0,1]=4 2813 B10R0.6 C=CCCNC(C)CC(C)C 2230a_100015191253_100000731052 [0,1,0,0,0,0|2,0,1]=4 2814 B10R0.6 C=CCCOC(C)C=C(C)C 34a_100000717055_100000754431 [0,1,0,0,0,0|2,0,1]=4 2815 B10R0.6 C=CCCOC(C)CC(C)C 34a_100000211805_100000754431 [0,1,0,0,0,0|2,0,1]=4 2816 B10R0.6 C=CCCOC(C)CC(C)C 34a_100011205117_100000731052 [0,1,0,0,0,0|2,0,1]=4 2817 B10R0.6 C=CCCOC(C)CC(C)C 7a_100000211805_100000754431 [0,1,0,0,0,0|2,0,1]=4 2818 B10R0.6 C=CCCSC(C)CC(C)C 62a_100000731052_100000754431 [0,1,0,0,0,0|2,0,1]=4 2819 B10R0.6 C=CCCSC(C)CC(C)C 62a_100000754431_100000731052 [0,1,0,0,0,0|2,0,1]=4 2820 B10R0.6 C=CCCSC(C)CN(C)C 62a_100000754431_100020606517 [0,1,0,0,0,0|3,0,0]=4 2821 B10R0.6 C=CCCSC(C)CN(C)C 62a_100020606517_100000754431 [0,1,0,0,0,0|3,0,0]=4 2822 B10R0.6 C=CCCSC(C)OC(=O)C 62a_100000754431_100009818208 [0,1,0,0,0,0|2,0,0]=3 2823 B10R0.6 C=CCCSC(C)OC(=O)C 62a_100009818208_100000754431 [0,1,0,0,0,0|2,0,0]=3 2824 B10R0.6 C=CCNCC(C)CN(C)C 2230a_100020586998_100015348159 [0,1,0,0,0,0|3,0,0]=4 2825 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [0,1,0,0,0,0|2,0,0]=3 2826 B10R0.6 C=CCOC[C@@H](N)CC(C)C 34a_100011830311_100015514636 [0,1,0,0,0,0|2,0,1]=4 2827 B10R0.6 C=CCSCC(=O)CC(=C)C 1458a_100000230395_100000748629 [0,1,0,0,0,0|2,0,1]=4 2828 B10R0.6 C=CCSCC(=O)CC(=O)N 1458a_100000230395_100000187820 [0,1,0,0,0,0|2,0,1]=4 2829 B10R0.6 C=CCSCC(=O)CC(=O)[O-] 1458a_100000230395_100020667443 [0,1,0,0,0,0|2,0,1]=4 2830 B10R0.6 C=CCSCC(=O)NC(=O)C 62a_100000210623_100000183797 [0,1,0,0,0,0|2,0,1]=4 2831 B10R0.6 C=CCSCC(C)CN(C)C 62a_100000210623_100015348159 [0,1,0,0,0,0|3,0,0]=4 2832 B10R0.6 C=CCSCC(C)CN(C)C 62a_100015348159_100000210623 [0,1,0,0,0,0|3,0,0]=4 2833 B10R0.6 C=COCCC(=O)CC(=O)N 1458a_100134613110_100000039644 [0,1,0,0,0,0|2,0,1]=4 2834 B10R0.6 C=COCCN(C)CC(=C)C 2230a_100000225649_100000039644 [0,1,0,0,0,0|3,0,0]=4 2835 B10R0.6 C=COCCN(C)CC(=C)C 269982a_100000225649_100000039644 [0,1,0,0,0,0|3,0,0]=4 2836 B10R0.6 C=COCCN(C)CC(=O)N 2230a_100000739694_100000039644 [0,1,0,0,0,0|3,0,0]=4 2837 B10R0.6 C=COCCN(C)CC(=O)O 269956a_100000746989_100000039644 [0,1,0,0,0,0|3,0,0]=4 2838 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,0|0,0,3]=4 2839 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 2840 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 2841 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 2842 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,0|1,0,2]=4 2843 B10R0.6 CN(CCCC=O)CC(=O)N 2230a_100000739694_200011292268 [0,1,0,0,0,0|3,0,0]=4 2844 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [0,1,0,0,0,0|3,0,0]=4 2845 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [0,1,0,0,0,0|3,0,0]=4 2846 B10R0.22 C=CCCCCNC(C)(C)C 2230a_100000715429_100011215482 [0,1,0,0,0,0|2,0,1]=4 2847 B10R0.22 C=CCCCCNC(C)(C)C 34a_100000703577_100000210625 [0,1,0,0,0,0|2,0,1]=4 2848 B10R0.22 C=CCCCCNS(=O)(=O)C 40a_100000703577_100000738038 [0,1,0,0,0,0|2,0,0]=3 2849 B10R0.22 C=CCCCCOC(C)(C)C 34a_100000766645_100000210625 [0,1,0,0,0,0|2,0,1]=4 2850 B10R0.22 C=CCCCCOC(C)(C)C 34a_100015890283_100011215482 [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.22 C=CCCCCOC(C)(C)C 7a_100015890283_100011215482 [0,1,0,0,0,0|2,0,1]=4 2852 B10R0.22 C=CCCCCSC(C)(C)C 62a_100000211941_100011215482 [0,1,0,0,0,0|2,0,1]=4 2853 B10R0.22 C=CCCCCSC(C)(C)C 62a_100011215482_100000211941 [0,1,0,0,0,0|2,0,1]=4 2854 B10R0.22 C=CCCCNCC(C)(C)C 2230a_100000743828_100011713584 [0,1,0,0,0,0|2,0,1]=4 2855 B10R0.22 C=CCCCNCC(C)(C)C 270004a_100000700776_100011204126 [0,1,0,0,0,0|2,0,1]=4 2856 B10R0.22 C=CCCCNCC(C)(C)C 34a_100000700776_100011219605 [0,1,0,0,0,0|2,0,1]=4 2857 B10R0.22 C=CCCCNCC(C)(C)F 2230a_100020643315_100011713584 [0,1,0,0,0,0|2,0,1]=4 2858 B10R0.22 C=CCCCNCC(C)(C)F 34a_100000700776_100011997219 [0,1,0,0,0,0|2,0,1]=4 2859 B10R0.22 C=CCCCNCC(C)(C)O 2230a_100000751335_100011713584 [0,1,0,0,0,0|1,0,2]=4 2860 B10R0.22 C=CCCCNCC(C)(C)O 34a_100000700776_100000764493 [0,1,0,0,0,0|1,0,2]=4 2861 B10R0.22 C=CCCCNCS(=O)(=O)[O-] 34a_100000700776_100009817235 [0,1,0,0,0,0|3,0,0]=4 2862 B10R0.22 C=CCCCNC[Si](C)(C)C 2230a_100000700776_100000037933 [0,1,0,0,0,0|2,1,0]=4 2863 B10R0.22 C=CCCCOCC(C)(C)C 34a_100000758997_100011219605 [0,1,0,0,0,0|2,0,1]=4 2864 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000716592_100000757094 [0,1,0,0,0,0|2,0,1]=4 2865 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000758997_100011997219 [0,1,0,0,0,0|2,0,1]=4 2866 B10R0.22 C=CCCCOCC(C)(C)O 34a_100000758997_100000764493 [0,1,0,0,0,0|1,0,2]=4 2867 B10R0.22 C=CCCCOCC(C)(C)O 7a_100000758997_100000764493 [0,1,0,0,0,0|1,0,2]=4 2868 B10R0.22 C=CCCCOCC(C)(F)F 34a_100000068830_100000757094 [0,1,0,0,0,0|2,0,1]=4 2869 B10R0.22 C=CCCCOCS(=O)(=O)[O-] 34a_100000758997_100009817235 [0,1,0,0,0,0|3,0,0]=4 2870 B10R0.22 C=CCCCOC[Si](C)(C)C 7a_100000758997_100000233785 [0,1,0,0,0,0|2,1,0]=4 2871 B10R0.22 C=CCCCSCC(C)(C)C 62a_100011219605_100000757094 [0,1,0,0,0,0|2,0,1]=4 2872 B10R0.22 C=CCCCSCC(C)(C)C 62a_100011713584_100011219605 [0,1,0,0,0,0|2,0,1]=4 2873 B10R0.22 C=CCCCSCC(C)(C)F 62a_100011713584_100011997219 [0,1,0,0,0,0|2,0,1]=4 2874 B10R0.22 C=CCCCSCC(C)(C)F 62a_100011997219_100000757094 [0,1,0,0,0,0|2,0,1]=4 2875 B10R0.22 C=CCCCSCC(C)(C)O 62a_100000764493_100000757094 [0,1,0,0,0,0|1,0,2]=4 2876 B10R0.22 C=CCCCSCC(C)(C)O 62a_100011713584_100000764493 [0,1,0,0,0,0|1,0,2]=4 2877 B10R0.22 C=CCCCSCS(=O)(=O)N 62a_100000741382_100000757094 [0,1,0,0,0,0|3,0,0]=4 2878 B10R0.22 C=CCCCSCS(=O)(=O)N 62a_100011713584_100000741382 [0,1,0,0,0,0|3,0,0]=4 2879 B10R0.22 C=CCCCSCS(=O)(=O)[O-] 62a_100009817235_100000757094 [0,1,0,0,0,0|3,0,0]=4 2880 B10R0.22 C=CCCCSCS(=O)(=O)[O-] 62a_100011713584_100009817235 [0,1,0,0,0,0|3,0,0]=4 2881 B10R0.22 C=CCCCSC[N+](C)(C)C 62a_100011713584_200000036245 [0,1,0,0,0,0|3,0,0]=4 2882 B10R0.22 C=CCCCSC[N+](C)(C)C 62a_200000036245_100000757094 [0,1,0,0,0,0|3,0,0]=4 2883 B10R0.22 C=CCCCSC[Si](C)(C)C 62a_100000037933_100000757094 [0,1,0,0,0,0|2,1,0]=4 2884 B10R0.22 C=CCCCSC[Si](C)(C)C 62a_100011713584_100000037933 [0,1,0,0,0,0|2,1,0]=4 2885 B10R0.22 C=CCCNCCC(C)(C)C 2230a_100000738805_100000754431 [0,1,0,0,0,0|2,0,1]=4 2886 B10R0.22 C=CCCNCCC(C)(C)C 2230a_100015191253_100000755188 [0,1,0,0,0,0|2,0,1]=4 2887 B10R0.22 C=CCCNCCC(C)(C)F 2230a_100016253952_100000754431 [0,1,0,0,0,0|2,0,1]=4 2888 B10R0.22 C=CCCNCCC(C)(C)O 2230a_100015191253_100000702414 [0,1,0,0,0,0|1,0,2]=4 2889 B10R0.22 C=CCCNCCS(=O)(=O)C 2230a_100000740961_100000754431 [0,1,0,0,0,0|2,0,0]=3 2890 B10R0.22 C=CCCNCCS(=O)(=O)C 2230a_100015191253_100000731031 [0,1,0,0,0,0|2,0,0]=3 2891 B10R0.22 C=CCCNCCS(=O)(=O)C 34a_100000740961_100000754431 [0,1,0,0,0,0|2,0,0]=3 2892 B10R0.22 C=CCCNCCS(=O)(=O)N 2230a_100000738205_100000754431 [0,1,0,0,0,0|3,0,0]=4 2893 B10R0.22 C=CCCNCCS(=O)(=O)N 34a_100000738205_100000754431 [0,1,0,0,0,0|3,0,0]=4 2894 B10R0.22 C=CCCNCCS(=O)(=O)[O-] 2230a_100015191253_100000737633 [0,1,0,0,0,0|3,0,0]=4 2895 B10R0.22 C=CCCNCC[Si](C)(C)C 2230a_100015191253_200000733723 [0,1,0,0,0,0|2,1,0]=4 2896 B10R0.22 C=CCCOCCC(C)(C)C 34a_100011205117_100000755188 [0,1,0,0,0,0|2,0,1]=4 2897 B10R0.22 C=CCCOCCC(C)(C)C 7a_100000765024_100000754431 [0,1,0,0,0,0|2,0,1]=4 2898 B10R0.22 C=CCCOCCC(C)(C)O 34a_100011205117_100000702414 [0,1,0,0,0,0|1,0,2]=4 2899 B10R0.22 C=CCCOCCS(=O)(=O)C 34a_100000211924_100000754431 [0,1,0,0,0,0|2,0,0]=3 2900 B10R0.22 C=CCCOCCS(=O)(=O)C 34a_100011205117_100000731031 [0,1,0,0,0,0|2,0,0]=3 2901 B10R0.22 C=CCCOCCS(=O)(=O)C 7a_100000211924_100000754431 [0,1,0,0,0,0|2,0,0]=3 2902 B10R0.22 C=CCCOCCS(=O)(=O)N 34a_100012334274_100000754431 [0,1,0,0,0,0|3,0,0]=4 2903 B10R0.22 C=CCCOCCS(=O)(=O)[O-] 34a_100011205117_100000762736 [0,1,0,0,0,0|3,0,0]=4 2904 B10R0.22 C=CCCOCC[N+](C)(C)C 34a_100011205117_100000085578 [0,1,0,0,0,0|3,0,0]=4 2905 B10R0.22 C=CCCOCC[N+](C)(C)C 7a_200020618287_100000754431 [0,1,0,0,0,0|3,0,0]=4 2906 B10R0.22 C=CCCOCC[Si](C)(C)C 34a_100011205117_200000733723 [0,1,0,0,0,0|2,1,0]=4 2907 B10R0.22 C=CCCOCC[Si](C)(C)C 7a_100000039746_100000754431 [0,1,0,0,0,0|2,1,0]=4 2908 B10R0.22 C=CCCSCCC(C)(C)C 62a_100000754431_100000755188 [0,1,0,0,0,0|2,0,1]=4 2909 B10R0.22 C=CCCSCCC(C)(C)C 62a_100000755188_100000754431 [0,1,0,0,0,0|2,0,1]=4 2910 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000702414_100000754431 [0,1,0,0,0,0|1,0,2]=4 2911 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000754431_100000702414 [0,1,0,0,0,0|1,0,2]=4 2912 B10R0.22 C=CCCSCCS(=O)(=O)C 62a_100000731031_100000754431 [0,1,0,0,0,0|2,0,0]=3 2913 B10R0.22 C=CCCSCCS(=O)(=O)C 62a_100000754431_100000230027 [0,1,0,0,0,0|2,0,0]=3 2914 B10R0.22 C=CCCSCCS(=O)(=O)[O-] 62a_100000754431_100000762736 [0,1,0,0,0,0|3,0,0]=4 2915 B10R0.22 C=CCCSCCS(=O)(=O)[O-] 62a_100000762736_100000754431 [0,1,0,0,0,0|3,0,0]=4 2916 B10R0.22 C=CCCSCC[N+](C)(C)C 62a_100000085578_100000754431 [0,1,0,0,0,0|3,0,0]=4 2917 B10R0.22 C=CCCSCC[N+](C)(C)C 62a_100000754431_100000085578 [0,1,0,0,0,0|3,0,0]=4 2918 B10R0.22 C=CCCSCC[Si](C)(C)C 62a_100000754431_200000733723 [0,1,0,0,0,0|2,1,0]=4 2919 B10R0.22 C=CCCSCC[Si](C)(C)C 62a_200000733723_100000754431 [0,1,0,0,0,0|2,1,0]=4 2920 B10R0.22 C=CCNCCCC(C)(C)O 2230a_100020586998_100009888830 [0,1,0,0,0,0|1,0,2]=4 2921 B10R0.22 C=CCNCCCS(=O)(=O)C 2230a_100000742409_100000210623 [0,1,0,0,0,0|2,0,0]=3 2922 B10R0.22 C=CCNCCCS(=O)(=O)C 2230a_100020586998_100000754308 [0,1,0,0,0,0|2,0,0]=3 2923 B10R0.22 C=CCNCCCS(=O)(=O)C 34a_100000742409_100015514636 [0,1,0,0,0,0|2,0,0]=3 2924 B10R0.22 C=CCNCCCS(=O)(=O)N 2230a_100020586998_100000750626 [0,1,0,0,0,0|3,0,0]=4 2925 B10R0.22 C=CCNCCC[N+](C)(C)C 2230a_100020586998_100016990835 [0,1,0,0,0,0|3,0,0]=4 2926 B10R0.22 C=CCNCCC[Si](C)(C)C 2230a_100020586998_100011219597 [0,1,0,0,0,0|2,1,0]=4 2927 B10R0.22 C=CCNCCNS(=O)(=O)C 2230a_100020586998_100000754112 [0,1,0,0,0,0|3,0,0]=4 2928 B10R0.22 C=CCNCCNS(=O)(=O)C 34a_100000752411_100015514636 [0,1,0,0,0,0|3,0,0]=4 2929 B10R0.22 C=CCNCCOS(=O)(=O)C 2230a_100020586998_200000036756 [0,1,0,0,0,0|3,0,0]=4 2930 B10R0.22 C=CCOCCCC(C)(C)O 34a_200000210373_100009888830 [0,1,0,0,0,0|1,0,2]=4 2931 B10R0.22 C=CCOCCCS(=O)(=O)C 34a_100000689940_100015514636 [0,1,0,0,0,0|2,0,0]=3 2932 B10R0.22 C=CCOCCCS(=O)(=O)C 34a_200000210373_100000754308 [0,1,0,0,0,0|2,0,0]=3 2933 B10R0.22 C=CCOCCCS(=O)(=O)C 7a_100000689940_100015514636 [0,1,0,0,0,0|2,0,0]=3 2934 B10R0.22 C=CCOCCCS(=O)(=O)N 34a_200000210373_100000750626 [0,1,0,0,0,0|3,0,0]=4 2935 B10R0.22 C=CCOCCCS(=O)(=O)[O-] 34a_200000210373_100009813499 [0,1,0,0,0,0|3,0,0]=4 2936 B10R0.22 C=CCOCCC[N+](C)(C)C 34a_200000210373_100016990835 [0,1,0,0,0,0|3,0,0]=4 2937 B10R0.22 C=CCOCCC[Si](C)(C)C 34a_200000210373_100011219597 [0,1,0,0,0,0|2,1,0]=4 2938 B10R0.22 C=CCOCCC[Si](C)(C)C 7a_200011215415_100015514636 [0,1,0,0,0,0|2,1,0]=4 2939 B10R0.22 C=CCOCCOS(=O)(=O)C 34a_200000210373_200000036756 [0,1,0,0,0,0|3,0,0]=4 2940 B10R0.22 C=CCSCCCC(C)(C)O 62a_100000210623_100009888830 [0,1,0,0,0,0|1,0,2]=4 2941 B10R0.22 C=CCSCCCC(C)(C)O 62a_100009888830_100000210623 [0,1,0,0,0,0|1,0,2]=4 2942 B10R0.22 C=CCSCCCS(=O)(=O)C 62a_100000210623_100000754308 [0,1,0,0,0,0|2,0,0]=3 2943 B10R0.22 C=CCSCCCS(=O)(=O)C 62a_100000754308_100000210623 [0,1,0,0,0,0|2,0,0]=3 2944 B10R0.22 C=CCSCCCS(=O)(=O)N 62a_100000210623_100000750626 [0,1,0,0,0,0|3,0,0]=4 2945 B10R0.22 C=CCSCCCS(=O)(=O)N 62a_100000750626_100000210623 [0,1,0,0,0,0|3,0,0]=4 2946 B10R0.22 C=CCSCCCS(=O)(=O)[O-] 62a_100000210623_100009813499 [0,1,0,0,0,0|3,0,0]=4 2947 B10R0.22 C=CCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210623 [0,1,0,0,0,0|3,0,0]=4 2948 B10R0.22 C=CCSCCC[N+](C)(C)C 62a_100000210623_100016990835 [0,1,0,0,0,0|3,0,0]=4 2949 B10R0.22 C=CCSCCC[N+](C)(C)C 62a_100016990835_100000210623 [0,1,0,0,0,0|3,0,0]=4 2950 B10R0.22 C=CCSCCC[Si](C)(C)C 62a_100000210623_100011219597 [0,1,0,0,0,0|2,1,0]=4 2951 B10R0.22 C=CCSCCC[Si](C)(C)C 62a_100011219597_100000210623 [0,1,0,0,0,0|2,1,0]=4 2952 B10R0.22 C=CCSCCNS(=O)(=O)C 62a_100000210623_100000754112 [0,1,0,0,0,0|3,0,0]=4 2953 B10R0.22 C=CCSCCNS(=O)(=O)C 62a_100000754112_100000210623 [0,1,0,0,0,0|3,0,0]=4 2954 B10R0.22 C=CCSCCOS(=O)(=O)C 62a_100000210623_200000036756 [0,1,0,0,0,0|3,0,0]=4 2955 B10R0.22 C=CCSCCOS(=O)(=O)C 62a_200000036756_100000210623 [0,1,0,0,0,0|3,0,0]=4 2956 B10R0.22 CS(=O)(=O)CCCNCC=O 2230a_100000742409_200015260668 [0,1,0,0,0,0|3,0,0]=4 2957 B10R0.22 CS(=O)(=O)CCCNCC=O 34a_100000742409_200009817547 [0,1,0,0,0,0|3,0,0]=4 2958 B10R0.22 CS(=O)(=O)CCCOCC=O 34a_100000689940_200009817547 [0,1,0,0,0,0|3,0,0]=4 2959 B10R0.22 CS(=O)(=O)CCCOCC=O 7a_100000689940_200015260668 [0,1,0,0,0,0|3,0,0]=4 2960 B10R0.22 CS(=O)(=O)CCCSCC=O 62a_100000754308_200015260668 [0,1,0,0,0,0|3,0,0]=4 2961 B10R0.22 CS(=O)(=O)CCCSCC=O 62a_200015260668_100000754308 [0,1,0,0,0,0|3,0,0]=4 2962 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,1,0,0,0,0|0,0,3]=4 2963 B10R0.55 C#CC(C)NCCCC(=O)C 34a_100000707721_100000685027 [0,1,0,0,0,0|1,0,2]=4 2964 B10R0.55 C#CC(C)OCCCC(=O)C 34a_100000759063_200000035995 [0,1,0,0,0,0|1,0,2]=4 2965 B10R0.55 C#CC(C)SCCCC(=O)C 62a_200000035995_100011215641 [0,1,0,0,0,0|1,0,2]=4 2966 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 34a_100009815206_100000685027 [0,1,0,0,0,0|1,0,2]=4 2967 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 7a_100009815206_100011215641 [0,1,0,0,0,0|1,0,2]=4 2968 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,1,0,0,0,0|0,0,1]=2 2969 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,1,0,0,0,0|1,0,2]=4 2970 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,1,0,0,0,0|1,0,1]=3 2971 B10R0.55 C=CC(=O)CCCOC(=S)C 1458a_100000185746_200135323944 [0,1,0,0,0,0|1,1,1]=4 2972 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,1,0,0,0,0|1,0,1]=3 2973 B10R0.55 C=CC(=O)CCOCC(=O)N 1458a_100000185746_100000076697 [0,1,0,0,0,0|2,0,1]=4 2974 B10R0.55 C=CC(=O)NCCCC(=O)N 240690a_100000739312_200121576911 [0,1,0,0,0,0|2,0,1]=4 2975 B10R0.55 C=CC(=O)NCCCS(=O)C 240690a_200000753449_200121576911 [0,1,0,0,0,0|2,0,1]=4 2976 B10R0.55 C=CC(=O)NCCNC(=O)C 11a_114873766552_100015343762 [0,1,0,0,0,0|2,0,1]=4 2977 B10R0.55 C=CC(=O)NCCNC(=O)C 1626a_114873766552_100015343762 [0,1,0,0,0,0|2,0,1]=4 2978 B10R0.55 C=CC(=O)NCCNC(=O)C 240690a_100000209853_200121576911 [0,1,0,0,0,0|2,0,1]=4 2979 B10R0.55 C=CC(=O)NCCNC(=O)C 527a_114873766552_100103153847 [0,1,0,0,0,0|2,0,1]=4 2980 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [0,1,0,0,0,0|2,0,1]=4 2981 B10R0.55 C=CC(=O)NCCSC(=O)C 240690a_100020647217_200121576911 [0,1,0,0,0,0|2,0,1]=4 2982 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [0,1,0,0,0,0|2,0,1]=4 2983 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [0,1,0,0,0,0|2,0,1]=4 2984 B10R0.55 C=CC(C)COCCC(=C)C 34a_100011215527_100000730704 [0,1,0,0,0,0|2,0,0]=3 2985 B10R0.55 C=CC(C)COCCC(=C)C 7a_100011215527_100000730704 [0,1,0,0,0,0|2,0,0]=3 2986 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,1,0,0,0,0|1,0,0]=2 2987 B10R0.55 C=CC(C)COCCC(=O)N 34a_100011215527_100000731001 [0,1,0,0,0,0|2,0,0]=3 2988 B10R0.55 C=CC(C)COCCC(=O)N 7a_100011215527_100000744528 [0,1,0,0,0,0|2,0,0]=3 2989 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [0,1,0,0,0,0|2,0,1]=4 2990 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [0,1,0,0,0,0|2,0,1]=4 2991 B10R0.55 C=CC(C)COCCC(C)O 34a_100011215527_100012276601 [0,1,0,0,0,0|1,0,2]=4 2992 B10R0.55 C=CC(C)COCCC(C)O 7a_100011215527_100012276601 [0,1,0,0,0,0|1,0,2]=4 2993 B10R0.55 C=CC(C)COCCN(C)C 7a_100011215527_100000755713 [0,1,0,0,0,0|3,0,0]=4 2994 B10R0.55 C=CC(C)COCOC(=O)C 34a_100011215527_100009813279 [0,1,0,0,0,0|2,0,0]=3 2995 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [0,1,0,0,0,0|2,0,1]=4 2996 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,1,0,0,0,0|1,0,0]=2 2997 B10R0.55 C=CC(C)OCCCC(=O)N 34a_100000695699_100102525003 [0,1,0,0,0,0|2,0,0]=3 2998 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [0,1,0,0,0,0|2,0,1]=4 2999 B10R0.55 C=CC(C)OCCCC(C)O 34a_100000695699_200000718107 [0,1,0,0,0,0|1,0,2]=4 3000 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,1,0,0,0,0|2,0,0]=3 3001 B10R0.55 C=CC(C)OCCOC(=O)N 34a_100000695699_200011214921 [0,1,0,0,0,0|3,0,0]=4 3002 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [0,1,0,0,0,0|2,0,1]=4 3003 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,1,0,0,0,0|1,0,0]=2 3004 B10R0.55 C=CC(C)SCCCC(=O)N 62a_100011215867_100102525003 [0,1,0,0,0,0|2,0,0]=3 3005 B10R0.55 C=CC(C)SCCCC(C)C 62a_100011215867_100011214892 [0,1,0,0,0,0|2,0,1]=4 3006 B10R0.55 C=CC(C)SCCCC(C)O 62a_100011215867_200000718107 [0,1,0,0,0,0|1,0,2]=4 3007 B10R0.55 C=CC(C)SCCCN(C)C 62a_100011215867_100000757444 [0,1,0,0,0,0|3,0,0]=4 3008 B10R0.55 C=CC(C)SCCNC(=O)C 62a_100011215867_100000189650 [0,1,0,0,0,0|2,0,0]=3 3009 B10R0.55 C=CC(C)SCCNC(=O)N 62a_100011215867_200000034859 [0,1,0,0,0,0|3,0,0]=4 3010 B10R0.55 C=CC(C)SCCOC(=O)C 62a_100011215867_100009814007 [0,1,0,0,0,0|2,0,0]=3 3011 B10R0.55 C=CC(C)SCCOC(=O)N 62a_100011215867_200011214921 [0,1,0,0,0,0|3,0,0]=4 3012 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [0,1,0,0,0,0|2,0,1]=4 3013 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,1,0,0,0,0|1,0,2]=4 3014 B10R0.55 C=CC(O)CNOCC(=O)O 269956a_100000106656_100000730141 [0,1,0,0,0,0|3,0,0]=4 3015 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [0,1,0,0,0,0|2,0,1]=4 3016 B10R0.55 C=CC(O)COCCC(=C)Br 34a_100009813270_100000730141 [0,1,0,0,0,0|2,0,1]=4 3017 B10R0.55 C=CC(O)COCCC(=C)C 34a_100000764851_100000730141 [0,1,0,0,0,0|2,0,0]=3 3018 B10R0.55 C=CC(O)COCCC(=O)C 34a_100000759926_100000730141 [0,1,0,0,0,0|1,0,0]=2 3019 B10R0.55 C=CC(O)COCCC(=O)C 7a_100000759926_100000730141 [0,1,0,0,0,0|1,0,0]=2 3020 B10R0.55 C=CC(O)COCCC(=O)N 34a_100000757172_100000730141 [0,1,0,0,0,0|2,0,0]=3 3021 B10R0.55 C=CC(O)COCCC(=O)N 7a_100000757172_100000730141 [0,1,0,0,0,0|2,0,0]=3 3022 B10R0.55 C=CC(O)COCCC(C)Br 34a_100009893172_100000730141 [0,1,0,0,0,0|2,0,1]=4 3023 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [0,1,0,0,0,0|2,0,1]=4 3024 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [0,1,0,0,0,0|2,0,1]=4 3025 B10R0.55 C=CC(O)COCC[C@@H](C)N 34a_100000706166_100000730141 [0,1,0,0,0,0|2,0,1]=4 3026 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [0,1,0,0,0,0|2,0,1]=4 3027 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [0,1,0,0,0,0|2,0,1]=4 3028 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730141_100000730704 [0,1,0,0,0,0|2,0,0]=3 3029 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730704_100000730141 [0,1,0,0,0,0|2,0,0]=3 3030 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000053229_100000730141 [0,1,0,0,0,0|1,0,0]=2 3031 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000730141_100000053229 [0,1,0,0,0,0|1,0,0]=2 3032 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000730141_100000744528 [0,1,0,0,0,0|2,0,0]=3 3033 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000744528_100000730141 [0,1,0,0,0,0|2,0,0]=3 3034 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [0,1,0,0,0,0|2,0,1]=4 3035 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [0,1,0,0,0,0|2,0,1]=4 3036 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [0,1,0,0,0,0|1,0,2]=4 3037 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [0,1,0,0,0,0|1,0,2]=4 3038 B10R0.55 C=CC(O)CSCCN(C)C 62a_100000730141_100000755713 [0,1,0,0,0,0|3,0,0]=4 3039 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000076356_100000730141 [0,1,0,0,0,0|2,0,0]=3 3040 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000730141_100000076356 [0,1,0,0,0,0|2,0,0]=3 3041 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [0,1,0,0,0,0|2,0,1]=4 3042 B10R0.55 C=C[C@H](N)COCCC(=C)C 34a_100016989147_100000730704 [0,1,0,0,0,0|2,0,0]=3 3043 B10R0.55 C=C[C@H](N)COCCC(=O)N 34a_100016989147_100000731001 [0,1,0,0,0,0|2,0,0]=3 3044 B10R0.55 C=C[C@H](N)COCCC(C)C 34a_100016989147_100000210312 [0,1,0,0,0,0|2,0,1]=4 3045 B10R0.55 C=C[C@H](N)COCCC(C)O 34a_100016989147_100012276601 [0,1,0,0,0,0|1,0,2]=4 3046 B10R0.55 C=C[C@H](N)COCOC(=O)C 34a_100016989147_100009813279 [0,1,0,0,0,0|2,0,0]=3 3047 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,0|1,0,2]=4 3048 B10R0.55 CC(=O)CCCOC(C)C#N 34a_100011218135_100000685027 [0,1,0,0,0,0|2,0,1]=4 3049 B10R0.55 CC(=O)CCCOC(C)C#N 7a_100000759063_100000703298 [0,1,0,0,0,0|2,0,1]=4 3050 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,1,0,0,0,0|2,0,1]=4 3051 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,1,0,0,0,0|2,0,1]=4 3052 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,1,0,0,0,0|2,0,1]=4 3053 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,1,0,0,0,0|2,0,1]=4 3054 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,1,0,0,0,0|2,0,1]=4 3055 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100000703298_100011215641 [0,1,0,0,0,0|2,0,1]=4 3056 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100011215641_100000703298 [0,1,0,0,0,0|2,0,1]=4 3057 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,1,0,0,0,0|2,0,1]=4 3058 B10R0.55 CC(=O)CCCSC(F)C#N 62a_100011215641_200000117898 [0,1,0,0,0,0|2,0,1]=4 3059 B10R0.55 CC(=O)CCCSC(F)C#N 62a_200000117898_100011215641 [0,1,0,0,0,0|2,0,1]=4 3060 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,1,0,0,0,0|2,0,1]=4 3061 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,1,0,0,0,0|2,0,1]=4 3062 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,1,0,0,0,0|2,0,1]=4 3063 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,1,0,0,0,0|2,0,1]=4 3064 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,1,0,0,0,0|2,0,1]=4 3065 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,1,0,0,0,0|2,0,1]=4 3066 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,1,0,0,0,0|2,0,1]=4 3067 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,1,0,0,0,0|2,0,1]=4 3068 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,1,0,0,0,0|2,0,1]=4 3069 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,1,0,0,0,0|2,0,1]=4 3070 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,1,0,0,0,0|2,0,1]=4 3071 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,1,0,0,0,0|2,0,1]=4 3072 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,1,0,0,0,0|2,0,1]=4 3073 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,1,0,0,0,0|2,0,1]=4 3074 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,1,0,0,0,0|2,0,1]=4 3075 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,1,0,0,0,0|2,0,1]=4 3076 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,1,0,0,0,0|2,0,1]=4 3077 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,1,0,0,0,0|2,0,1]=4 3078 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,1,0,0,0,0|0,0,3]=4 3079 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,1,0,0,0,0|1,0,2]=4 3080 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,1,0,0,0,0|1,0,2]=4 3081 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,1,0,0,0,0|1,0,2]=4 3082 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,1,0,0,0,0|1,0,2]=4 3083 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,0,0,0,0|1,0,2]=4 3084 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,0,0,0,0|1,0,2]=4 3085 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,0,0,0,0|1,0,2]=4 3086 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,0,0,0,0|1,0,2]=4 3087 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,0,0,0,0|1,0,2]=4 3088 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,0,0,0,0|1,0,2]=4 3089 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,0,0,0,0|1,0,2]=4 3090 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,0,0,0,0|1,0,2]=4 3091 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,0,0,0,0|1,0,2]=4 3092 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,0,0,0,0|1,0,2]=4 3093 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,1,0,0,0,0|1,0,2]=4 3094 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,1,0,0,0,0|1,0,2]=4 3095 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,1,0,0,0,0|1,0,2]=4 3096 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,1,0,0,0,0|1,0,2]=4 3097 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,1,0,0,0,0|1,0,2]=4 3098 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,1,0,0,0,0|1,0,2]=4 3099 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,1,0,0,0,0|1,0,2]=4 3100 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,1,0,0,0,0|1,0,2]=4 3101 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,1,0,0,0,0|2,0,1]=4 3102 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,1,0,0,0,0|2,0,1]=4 3103 B10R0.74 C#C/C(=C\COCCC=C)/C 34a_100016990848_100000754431 [0,1,0,0,0,0|2,0,1]=4 3104 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,1,0,0,0,0|1,0,2]=4 3105 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,1,0,0,0,0|0,0,1]=2 3106 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,0,0,0,0|0,0,3]=4 3107 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,1,0,0,0,0|1,0,2]=4 3108 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,1,0,0,0,0|1,0,2]=4 3109 B10R0.74 C#CC(C)NCCCCC=C 2230a_100000707721_100011215482 [0,1,0,0,0,0|2,0,1]=4 3110 B10R0.74 C#CC(C)NCCCCC=C 34a_100000703577_200000035995 [0,1,0,0,0,0|2,0,1]=4 3111 B10R0.74 C#CC(C)NCCCCC=C 34a_100000707721_100011215482 [0,1,0,0,0,0|2,0,1]=4 3112 B10R0.74 C#CC(C)OCCCCC=C 34a_100000766645_200000035995 [0,1,0,0,0,0|2,0,1]=4 3113 B10R0.74 C#CC(C)SCCCCC=C 62a_200000035995_100011215482 [0,1,0,0,0,0|2,0,1]=4 3114 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,1,0,0,0,0|0,0,3]=4 3115 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,1,0,0,0,0|0,0,3]=4 3116 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,1,0,0,0,0|0,0,2]=3 3117 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,1,0,0,0,0|0,0,2]=3 3118 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,1,0,0,0,0|0,0,2]=3 3119 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,1,0,0,0,0|0,0,2]=3 3120 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,1,0,0,0,0|0,0,2]=3 3121 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,1,0,0,0,0|0,0,2]=3 3122 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,1,0,0,0,0|0,0,2]=3 3123 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,1,0,0,0,0|0,0,2]=3 3124 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,1,0,0,0,0|1,0,2]=4 3125 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,1,0,0,0,0|1,0,2]=4 3126 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,1,0,0,0,0|1,0,2]=4 3127 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,1,0,0,0,0|1,0,2]=4 3128 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,1,0,0,0,0|1,0,2]=4 3129 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,1,0,0,0,0|1,0,2]=4 3130 B10R0.74 C#CCCCCNC(=O)NC 2708a_100000706060_106832991635 [0,1,0,0,0,0|1,0,2]=4 3131 B10R0.74 C#CCCCCNC(=O)NC 2708a_100102657272_100000706060 [0,1,0,0,0,0|1,0,2]=4 3132 B10R0.74 C#CCCCCNC(=O)NC 273464a_100000706060_100102657272 [0,1,0,0,0,0|1,0,2]=4 3133 B10R0.74 C#CCCCCNC(=O)NC 273464a_100102657272_100000706060 [0,1,0,0,0,0|1,0,2]=4 3134 B10R0.74 C#CCCCCNC(=O)NC 512a_100000706060_100102657272 [0,1,0,0,0,0|1,0,2]=4 3135 B10R0.74 C#CCCCCNC(=O)NC 512a_106832991638_100000706060 [0,1,0,0,0,0|1,0,2]=4 3136 B10R0.74 C#CCCCNCC(=O)NC 2230a_100000693194_100000731252 [0,1,0,0,0,0|1,0,2]=4 3137 B10R0.74 C#CCCCNCC(=O)NC 34a_100000718082_100000183359 [0,1,0,0,0,0|1,0,2]=4 3138 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,1,0,0,0,0|1,0,2]=4 3139 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,1,0,0,0,0|1,0,2]=4 3140 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,1,0,0,0,0|1,0,2]=4 3141 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,1,0,0,0,0|1,0,2]=4 3142 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,1,0,0,0,0|1,0,2]=4 3143 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,1,0,0,0,0|1,0,2]=4 3144 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,1,0,0,0,0|1,0,2]=4 3145 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,1,0,0,0,0|1,0,2]=4 3146 B10R0.74 C#CCCCSCC(=O)CC 62a_100000747405_100011215417 [0,1,0,0,0,0|1,0,2]=4 3147 B10R0.74 C#CCCCSCC(=O)CC 62a_100011215417_100000747405 [0,1,0,0,0,0|1,0,2]=4 3148 B10R0.74 C#CCCCSCC(=O)NC 62a_100000183359_100011215417 [0,1,0,0,0,0|1,0,2]=4 3149 B10R0.74 C#CCCCSCC(=O)NC 62a_100011215417_100000183359 [0,1,0,0,0,0|1,0,2]=4 3150 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,1,0,0,0,0|1,0,2]=4 3151 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,1,0,0,0,0|1,0,2]=4 3152 B10R0.74 C#CCCNCCC(=O)NC 2230a_100000738227_100000688953 [0,1,0,0,0,0|1,0,2]=4 3153 B10R0.74 C#CCCNCCC(=O)NC 34a_100000738227_100000688953 [0,1,0,0,0,0|1,0,2]=4 3154 B10R0.74 C#CCCNCCC(=O)NC 34a_100000755551_100012179268 [0,1,0,0,0,0|1,0,2]=4 3155 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,1,0,0,0,0|1,0,2]=4 3156 B10R0.74 C#CCCOCCC(=O)NC 34a_100000754576_100000688953 [0,1,0,0,0,0|1,0,2]=4 3157 B10R0.74 C#CCCOCCC(=O)NC 34a_100011215631_100012179268 [0,1,0,0,0,0|1,0,2]=4 3158 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,1,0,0,0,0|1,0,2]=4 3159 B10R0.74 C#CCCSCCC(=O)NC 62a_100000688953_100000737683 [0,1,0,0,0,0|1,0,2]=4 3160 B10R0.74 C#CCCSCCC(=O)NC 62a_100000737683_100000688953 [0,1,0,0,0,0|1,0,2]=4 3161 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,1,0,0,0,0|1,0,2]=4 3162 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,1,0,0,0,0|1,0,2]=4 3163 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,1,0,0,0,0|1,0,2]=4 3164 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,1,0,0,0,0|1,0,2]=4 3165 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,1,0,0,0,0|1,0,2]=4 3166 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,1,0,0,0,0|1,0,2]=4 3167 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,1,0,0,0,0|1,0,2]=4 3168 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,1,0,0,0,0|1,0,2]=4 3169 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,1,0,0,0,0|1,0,2]=4 3170 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,1,0,0,0,0|1,0,2]=4 3171 B10R0.74 C#C[C@@H](C)OCCCCC=C 34a_100009815206_100011215482 [0,1,0,0,0,0|2,0,1]=4 3172 B10R0.74 C#C[C@@H](C)OCCCCC=C 7a_100009815206_100011215482 [0,1,0,0,0,0|2,0,1]=4 3173 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,1,0,0,0,0|1,0,2]=4 3174 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,1,0,0,0,0|1,0,2]=4 3175 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,1,0,0,0,0|1,0,2]=4 3176 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,1,0,0,0,0|1,0,2]=4 3177 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,1,0,0,0,0|1,0,2]=4 3178 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,1,0,0,0,0|1,0,2]=4 3179 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,1,0,0,0,0|1,0,2]=4 3180 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,1,0,0,0,0|1,0,2]=4 3181 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,1,0,0,0,0|1,0,2]=4 3182 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,1,0,0,0,0|1,0,2]=4 3183 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,1,0,0,0,0|1,0,2]=4 3184 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,0,0,0,0|0,0,3]=4 3185 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,1,0,0,0,0|1,0,2]=4 3186 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,0,0,0,0|1,0,2]=4 3187 B10R0.74 C=CCCC=NNC(=O)CC 4a_100000183195_100011216789 [0,1,0,0,0,0|2,0,1]=4 3188 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,1,0,0,0,0|0,0,1]=2 3189 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,1,0,0,0,0|0,0,0]=1 3190 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,1,0,0,0,0|0,0,0]=1 3191 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,1,0,0,0,0|0,0,0]=1 3192 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,0,0,0,0|0,0,0]=1 3193 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,1,0,0,0,0|0,0,0]=1 3194 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,1,0,0,0,0|0,0,0]=1 3195 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,1,0,0,0,0|0,0,0]=1 3196 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,1,0,0,0,0|0,0,0]=1 3197 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,1,0,0,0,0|2,0,0]=3 3198 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,1,0,0,0,0|2,0,0]=3 3199 B10R0.74 C=CCCCCNC(=O)C=C 1626a_100000703577_100000185746 [0,1,0,0,0,0|1,0,1]=3 3200 B10R0.74 C=CCCCCNC(=O)C=C 240690a_100000703577_200121576911 [0,1,0,0,0,0|1,0,1]=3 3201 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,1,0,0,0,0|1,0,0]=2 3202 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,1,0,0,0,0|1,0,0]=2 3203 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,1,0,0,0,0|1,0,0]=2 3204 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,1,0,0,0,0|1,0,0]=2 3205 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,1,0,0,0,0|1,0,0]=2 3206 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,1,0,0,0,0|1,0,0]=2 3207 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,1,0,0,0,0|1,0,0]=2 3208 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,1,0,0,0,0|1,0,0]=2 3209 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,1,0,0,0,0|1,0,0]=2 3210 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,1,0,0,0,0|1,0,0]=2 3211 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,1,0,0,0,0|1,0,0]=2 3212 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,1,0,0,0,0|1,0,0]=2 3213 B10R0.74 C=CCCCCNC(C)C#N 2230a_100000703577_100000184139 [0,1,0,0,0,0|2,0,1]=4 3214 B10R0.74 C=CCCCCNC(C)C#N 2230a_100000737613_100011215482 [0,1,0,0,0,0|2,0,1]=4 3215 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,1,0,0,0,0|2,0,1]=4 3216 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,1,0,0,0,0|2,0,1]=4 3217 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,1,0,0,0,0|2,0,1]=4 3218 B10R0.74 C=CCCCCNC(C)CO 2230a_100000703577_100012180447 [0,1,0,0,0,0|1,0,2]=4 3219 B10R0.74 C=CCCCCNC(C)CO 34a_100000703577_100012180447 [0,1,0,0,0,0|1,0,2]=4 3220 B10R0.74 C=CCCCCN[C@H](C)CO 2230a_100000737577_100011215482 [0,1,0,0,0,0|1,0,2]=4 3221 B10R0.74 C=CCCCCOC(C)C#N 34a_100011218135_100011215482 [0,1,0,0,0,0|2,0,1]=4 3222 B10R0.74 C=CCCCCOC(C)C#N 7a_100000766645_100000703298 [0,1,0,0,0,0|2,0,1]=4 3223 B10R0.74 C=CCCCCOC(C)C=C 34a_100000695699_100011215482 [0,1,0,0,0,0|2,0,1]=4 3224 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,1,0,0,0,0|2,0,1]=4 3225 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,1,0,0,0,0|2,0,1]=4 3226 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,1,0,0,0,0|2,0,1]=4 3227 B10R0.74 C=CCCCCOC(C)CF 34a_100016041109_100011215482 [0,1,0,0,0,0|2,0,1]=4 3228 B10R0.74 C=CCCCCOC(C)CF 7a_100016041109_100011215482 [0,1,0,0,0,0|2,0,1]=4 3229 B10R0.74 C=CCCCCOC(C)CN 34a_100000210904_100011215482 [0,1,0,0,0,0|2,0,1]=4 3230 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,1,0,0,0,0|1,0,2]=4 3231 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,1,0,0,0,0|1,0,2]=4 3232 B10R0.74 C=CCCCCSC(C)C#N 62a_100000703298_100011215482 [0,1,0,0,0,0|2,0,1]=4 3233 B10R0.74 C=CCCCCSC(C)C#N 62a_100011215482_100000703298 [0,1,0,0,0,0|2,0,1]=4 3234 B10R0.74 C=CCCCCSC(C)C=C 62a_100011215867_100011215482 [0,1,0,0,0,0|2,0,1]=4 3235 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,1,0,0,0,0|2,0,1]=4 3236 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,1,0,0,0,0|2,0,1]=4 3237 B10R0.74 C=CCCCCSC(C)CO 62a_100012180447_100011215482 [0,1,0,0,0,0|1,0,2]=4 3238 B10R0.74 C=CCCCCSC(C)OC 62a_100009879195_100011215482 [0,1,0,0,0,0|1,0,2]=4 3239 B10R0.74 C=CCCCCSC(C)OC 62a_100011215482_100009879195 [0,1,0,0,0,0|1,0,2]=4 3240 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100011215482_100016084084 [0,1,0,0,0,0|1,0,2]=4 3241 B10R0.74 C=CCCCCS[C@H](C)CO 62a_100016084084_100011215482 [0,1,0,0,0,0|1,0,2]=4 3242 B10R0.74 C=CCCCNCC(=C)C#N 2230a_100000700776_100000694840 [0,1,0,0,0,0|2,0,1]=4 3243 B10R0.74 C=CCCCNCC(=C)C#N 34a_100000700776_100000694840 [0,1,0,0,0,0|2,0,1]=4 3244 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,1,0,0,0,0|1,0,0]=2 3245 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,1,0,0,0,0|1,0,0]=2 3246 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,1,0,0,0,0|1,0,0]=2 3247 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,1,0,0,0,0|1,0,0]=2 3248 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,1,0,0,0,0|1,0,0]=2 3249 B10R0.74 C=CCCCNCC(C)CC 2230a_100000700776_100000748023 [0,1,0,0,0,0|2,0,1]=4 3250 B10R0.74 C=CCCCNCC(C)CC 2230a_100020588543_100011713584 [0,1,0,0,0,0|2,0,1]=4 3251 B10R0.74 C=CCCCNCC(C)CC 270004a_100000700776_100000243153 [0,1,0,0,0,0|2,0,1]=4 3252 B10R0.74 C=CCCCNCC(C)CC 34a_100000700776_100000748023 [0,1,0,0,0,0|2,0,1]=4 3253 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,1,0,0,0,0|1,0,2]=4 3254 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,1,0,0,0,0|1,0,2]=4 3255 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,1,0,0,0,0|1,0,2]=4 3256 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,1,0,0,0,0|1,0,2]=4 3257 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,1,0,0,0,0|1,0,2]=4 3258 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,1,0,0,0,0|1,0,2]=4 3259 B10R0.74 C=CCCCNC[C@@H](C)CC 2230a_100000700776_100009816398 [0,1,0,0,0,0|2,0,1]=4 3260 B10R0.74 C=CCCCNC[C@@H](C)CC 34a_100000700776_100009816398 [0,1,0,0,0,0|2,0,1]=4 3261 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,1,0,0,0,0|1,0,2]=4 3262 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,1,0,0,0,0|1,0,2]=4 3263 B10R0.74 C=CCCCNC[C@@H](C)OC 2230a_100020591295_100011713584 [0,1,0,0,0,0|1,0,2]=4 3264 B10R0.74 C=CCCCNC[C@@H](F)CO 34a_100015665980_100000757094 [0,1,0,0,0,0|2,0,1]=4 3265 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,1,0,0,0,0|1,0,2]=4 3266 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,1,0,0,0,0|1,0,2]=4 3267 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,1,0,0,0,0|1,0,2]=4 3268 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,1,0,0,0,0|1,0,2]=4 3269 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,1,0,0,0,0|1,0,2]=4 3270 B10R0.74 C=CCCCOCC(=C)C#N 34a_100000758997_100000694840 [0,1,0,0,0,0|2,0,1]=4 3271 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,1,0,0,0,0|1,0,0]=2 3272 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,1,0,0,0,0|1,0,0]=2 3273 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,1,0,0,0,0|1,0,0]=2 3274 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,1,0,0,0,0|1,0,0]=2 3275 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,1,0,0,0,0|1,0,0]=2 3276 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,1,0,0,0,0|1,0,0]=2 3277 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,1,0,0,0,0|1,0,0]=2 3278 B10R0.74 C=CCCCOCC(C)C=C 34a_100011215527_100000757094 [0,1,0,0,0,0|2,0,1]=4 3279 B10R0.74 C=CCCCOCC(C)C=C 7a_100011215527_100000757094 [0,1,0,0,0,0|2,0,1]=4 3280 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,1,0,0,0,0|2,0,1]=4 3281 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,1,0,0,0,0|2,0,1]=4 3282 B10R0.74 C=CCCCOCC(C)CN 34a_100000744482_100000757094 [0,1,0,0,0,0|2,0,1]=4 3283 B10R0.74 C=CCCCOCC(C)OC 34a_100000690652_100000757094 [0,1,0,0,0,0|1,0,2]=4 3284 B10R0.74 C=CCCCOCC(Cl)CCl 34a_100000033668_100000757094 [0,1,0,0,0,0|2,0,1]=4 3285 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,1,0,0,0,0|1,0,2]=4 3286 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,1,0,0,0,0|1,0,2]=4 3287 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,1,0,0,0,0|1,0,2]=4 3288 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,1,0,0,0,0|1,0,2]=4 3289 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,1,0,0,0,0|2,0,1]=4 3290 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,1,0,0,0,0|2,0,1]=4 3291 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,1,0,0,0,0|2,0,1]=4 3292 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 3293 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,1,0,0,0,0|1,0,2]=4 3294 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,1,0,0,0,0|1,0,2]=4 3295 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,1,0,0,0,0|1,0,2]=4 3296 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,1,0,0,0,0|1,0,2]=4 3297 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,1,0,0,0,0|1,0,2]=4 3298 B10R0.74 C=CCCCOC[C@H](F)CN 34a_100015665980_100000757094 [0,1,0,0,0,0|2,0,1]=4 3299 B10R0.74 C=CCCCSCC(=C)C#N 62a_100011713584_100000694840 [0,1,0,0,0,0|2,0,1]=4 3300 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,1,0,0,0,0|1,0,0]=2 3301 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,1,0,0,0,0|1,0,0]=2 3302 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,1,0,0,0,0|1,0,0]=2 3303 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,1,0,0,0,0|1,0,0]=2 3304 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,1,0,0,0,0|1,0,0]=2 3305 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,1,0,0,0,0|1,0,0]=2 3306 B10R0.74 C=CCCCSCC(C)CC 62a_100000748023_100000757094 [0,1,0,0,0,0|2,0,1]=4 3307 B10R0.74 C=CCCCSCC(C)CC 62a_100011713584_100000748023 [0,1,0,0,0,0|2,0,1]=4 3308 B10R0.74 C=CCCCSCC(O)CC 62a_100011218378_100000757094 [0,1,0,0,0,0|1,0,2]=4 3309 B10R0.74 C=CCCCSCC(O)CC 62a_100011713584_100011218378 [0,1,0,0,0,0|1,0,2]=4 3310 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,1,0,0,0,0|1,0,2]=4 3311 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,1,0,0,0,0|1,0,2]=4 3312 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100009816398_100000757094 [0,1,0,0,0,0|2,0,1]=4 3313 B10R0.74 C=CCCCSC[C@@H](C)CC 62a_100011713584_100009816398 [0,1,0,0,0,0|2,0,1]=4 3314 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100000059175_100000757094 [0,1,0,0,0,0|1,0,2]=4 3315 B10R0.74 C=CCCCSC[C@@H](C)CO 62a_100011713584_100000059175 [0,1,0,0,0,0|1,0,2]=4 3316 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100011713584_100015614560 [0,1,0,0,0,0|1,0,2]=4 3317 B10R0.74 C=CCCCSC[C@@H](O)CF 62a_100015614560_100000757094 [0,1,0,0,0,0|1,0,2]=4 3318 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,1,0,0,0,0|1,0,2]=4 3319 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,1,0,0,0,0|1,0,2]=4 3320 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,1,0,0,0,0|1,0,0]=2 3321 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,1,0,0,0,0|1,0,0]=2 3322 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,1,0,0,0,0|1,0,0]=2 3323 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,1,0,0,0,0|1,0,0]=2 3324 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [0,1,0,0,0,0|2,0,1]=4 3325 B10R0.74 C=CCCNCCC(C)CO 2230a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 3326 B10R0.74 C=CCCNCCC(C)CO 34a_106354213184_100000754431 [0,1,0,0,0,0|1,0,2]=4 3327 B10R0.74 C=CCCOCCC(=NO)N 34a_100000749954_100000754431 [0,1,0,0,0,0|2,0,1]=4 3328 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,1,0,0,0,0|1,0,0]=2 3329 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,1,0,0,0,0|1,0,0]=2 3330 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,1,0,0,0,0|1,0,0]=2 3331 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [0,1,0,0,0,0|2,0,1]=4 3332 B10R0.74 C=CCCOCCC(C)OC 7a_100000764861_100000754431 [0,1,0,0,0,0|1,0,2]=4 3333 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,1,0,0,0,0|1,0,0]=2 3334 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,1,0,0,0,0|1,0,0]=2 3335 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,1,0,0,0,0|1,0,0]=2 3336 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,1,0,0,0,0|1,0,0]=2 3337 B10R0.74 C=CCCSCOC(=O)OC 62a_100000754431_100000139417 [0,1,0,0,0,0|2,0,0]=3 3338 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [0,1,0,0,0,0|1,0,2]=4 3339 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,1,0,0,0,0|1,0,0]=2 3340 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,1,0,0,0,0|1,0,0]=2 3341 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,1,0,0,0,0|1,0,0]=2 3342 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,1,0,0,0,0|1,0,0]=2 3343 B10R0.74 C=CCNCCCN(C)CC 2230a_100020586998_100015186262 [0,1,0,0,0,0|3,0,0]=4 3344 B10R0.74 C=CCNCCNC(=O)C=C 2230a_114873766552_100000210623 [0,1,0,0,0,0|2,0,1]=4 3345 B10R0.74 C=CCNCCNC(=O)CC 34a_100132302217_100015514636 [0,1,0,0,0,0|2,0,0]=3 3346 B10R0.74 C=CCNCCNC(=O)NC 34a_100015205895_100015514636 [0,1,0,0,0,0|2,0,0]=3 3347 B10R0.74 C=CCNCCOC(=O)C=C 2230a_100020586998_100009813456 [0,1,0,0,0,0|2,0,1]=4 3348 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,1,0,0,0,0|1,0,2]=4 3349 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,1,0,0,0,0|1,0,0]=2 3350 B10R0.74 C=CCOCCCC(=O)NN 34a_100000211488_100015514636 [0,1,0,0,0,0|2,0,0]=3 3351 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,1,0,0,0,0|1,0,0]=2 3352 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [0,1,0,0,0,0|2,0,1]=4 3353 B10R0.74 C=CCOCCC[C@@H](C)CN 34a_100160569302_100015514636 [0,1,0,0,0,0|2,0,1]=4 3354 B10R0.74 C=CCOCCNC(=O)C=C 34a_100011304386_100015514636 [0,1,0,0,0,0|2,0,1]=4 3355 B10R0.74 C=CCOCCNC(=O)CC 34a_200000158885_100015514636 [0,1,0,0,0,0|2,0,0]=3 3356 B10R0.74 C=CCOCCNC(=O)CC 7a_200000158885_100015514636 [0,1,0,0,0,0|2,0,0]=3 3357 B10R0.74 C=CCOCCNC(=O)OC 34a_100000757965_100015514636 [0,1,0,0,0,0|2,0,0]=3 3358 B10R0.74 C=CCOCCOC(=O)C=C 34a_200000210373_100009813456 [0,1,0,0,0,0|2,0,1]=4 3359 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,1,0,0,0,0|2,0,0]=3 3360 B10R0.74 C=CCOCCOC(=O)NC 34a_200000210373_200011997002 [0,1,0,0,0,0|2,0,0]=3 3361 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,1,0,0,0,0|2,0,0]=3 3362 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,1,0,0,0,0|1,0,2]=4 3363 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [0,1,0,0,0,0|1,0,2]=4 3364 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,1,0,0,0,0|1,0,0]=2 3365 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,1,0,0,0,0|1,0,0]=2 3366 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,1,0,0,0,0|1,0,0]=2 3367 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,1,0,0,0,0|1,0,0]=2 3368 B10R0.74 C=CCSCCCN(C)CC 62a_100000210623_100015186262 [0,1,0,0,0,0|3,0,0]=4 3369 B10R0.74 C=CCSCCOC(=O)C=C 62a_100000210623_100009813456 [0,1,0,0,0,0|2,0,1]=4 3370 B10R0.74 C=CCSCCOC(=O)C=C 62a_100009813456_100000210623 [0,1,0,0,0,0|2,0,1]=4 3371 B10R0.74 C=CCSCCOC(=O)NC 62a_100000210623_200011997002 [0,1,0,0,0,0|2,0,0]=3 3372 B10R0.74 C=CCSCCOC(=O)NC 62a_200011997002_100000210623 [0,1,0,0,0,0|2,0,0]=3 3373 B10R0.74 C=COCCCNC(=O)C=C 1626a_100000210767_100000185746 [0,1,0,0,0,0|2,0,1]=4 3374 B10R0.74 C=COCCCNC(=O)C=C 240690a_100000210767_200121576911 [0,1,0,0,0,0|2,0,1]=4 3375 B10R0.74 C=COCCCNC(=O)CC 11a_100000210767_100000210414 [0,1,0,0,0,0|2,0,0]=3 3376 B10R0.74 C=COCCCNC(=O)CC 1626a_100000210767_100000210414 [0,1,0,0,0,0|2,0,0]=3 3377 B10R0.74 C=COCCCNC(=O)CC 240690a_100000210767_100000210414 [0,1,0,0,0,0|2,0,0]=3 3378 B10R0.74 C=COCCCNC(=O)CC 527a_100000210767_100000210414 [0,1,0,0,0,0|2,0,0]=3 3379 B10R0.74 C=COCCCNC(=O)CO 240690a_100000210767_100000210174 [0,1,0,0,0,0|2,0,0]=3 3380 B10R0.74 C=COCCCNC(=O)CO 527a_100000210767_100000210174 [0,1,0,0,0,0|2,0,0]=3 3381 B10R0.74 C=COCCCNC(=O)NC 2708a_100000210767_106832991635 [0,1,0,0,0,0|2,0,0]=3 3382 B10R0.74 C=COCCCNC(=O)NC 2708a_100102657272_100000210767 [0,1,0,0,0,0|2,0,0]=3 3383 B10R0.74 C=COCCCNC(=O)NC 273464a_100000210767_100102657272 [0,1,0,0,0,0|2,0,0]=3 3384 B10R0.74 C=COCCCNC(=O)NC 273464a_100102657272_100000210767 [0,1,0,0,0,0|2,0,0]=3 3385 B10R0.74 C=COCCCNC(=O)NC 512a_100000210767_100102657272 [0,1,0,0,0,0|2,0,0]=3 3386 B10R0.74 C=COCCCNC(=O)NC 512a_106832991638_100000210767 [0,1,0,0,0,0|2,0,0]=3 3387 B10R0.74 C=COCCNCC(=O)NC 2230a_100000693194_100000039644 [0,1,0,0,0,0|2,0,0]=3 3388 B10R0.74 C=COCCOCC(=O)CC 34a_100000725409_100000039644 [0,1,0,0,0,0|2,0,0]=3 3389 B10R0.74 C=COCCOCC(=O)NC 34a_100000033082_100000183359 [0,1,0,0,0,0|2,0,0]=3 3390 B10R0.74 C=COCCOCC(=O)NC 34a_100000750040_100000039644 [0,1,0,0,0,0|2,0,0]=3 3391 B10R0.74 C=COCCOCC(=O)OC 34a_100000033082_100000747449 [0,1,0,0,0,0|2,0,0]=3 3392 B10R0.74 C=COCCSCC(=O)CC 62a_100000039644_100000747405 [0,1,0,0,0,0|2,0,0]=3 3393 B10R0.74 C=COCCSCC(=O)CC 62a_100000747405_100000039644 [0,1,0,0,0,0|2,0,0]=3 3394 B10R0.74 C=COCCSCC(=O)NC 62a_100000039644_100000183359 [0,1,0,0,0,0|2,0,0]=3 3395 B10R0.74 C=COCCSCC(=O)NC 62a_100000183359_100000039644 [0,1,0,0,0,0|2,0,0]=3 3396 B10R0.74 C=COCCSCC(=O)OC 62a_100000039644_100000747449 [0,1,0,0,0,0|2,0,0]=3 3397 B10R0.74 C=COCCSCC(=O)OC 62a_100000747449_100000039644 [0,1,0,0,0,0|2,0,0]=3 3398 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,1,0,0,0,0|1,0,2]=4 3399 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,1,0,0,0,0|1,0,2]=4 3400 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,1,0,0,0,0|1,0,2]=4 3401 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,1,0,0,0,0|1,0,2]=4 3402 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,1,0,0,0,0|1,0,2]=4 3403 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,1,0,0,0,0|1,0,2]=4 3404 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,1,0,0,0,0|1,0,2]=4 3405 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,1,0,0,0,0|1,0,1]=3 3406 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|1,0,1]=3 3407 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|1,0,1]=3 3408 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|1,0,1]=3 3409 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|1,0,1]=3 3410 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [0,1,0,0,0,0|3,0,0]=4 3411 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,1,0,0,0,0|2,0,1]=4 3412 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,1,0,0,0,0|2,0,1]=4 3413 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,1,0,0,0,0|2,0,1]=4 3414 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,1,0,0,0,0|2,0,1]=4 3415 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,1,0,0,0,0|2,0,1]=4 3416 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,1,0,0,0,0|2,0,1]=4 3417 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,1,0,0,0,0|2,0,1]=4 3418 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,1,0,0,0,0|2,0,1]=4 3419 B10R0.74 CCC(=O)CSCCCC#N 62a_100000687738_100000747405 [0,1,0,0,0,0|2,0,1]=4 3420 B10R0.74 CCC(=O)CSCCCC#N 62a_100000747405_100000687738 [0,1,0,0,0,0|2,0,1]=4 3421 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,1,0,0,0,0|2,0,0]=3 3422 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,1,0,0,0,0|2,0,0]=3 3423 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,1,0,0,0,0|2,0,1]=4 3424 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,1,0,0,0,0|2,0,1]=4 3425 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,1,0,0,0,0|2,0,1]=4 3426 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,1,0,0,0,0|2,0,1]=4 3427 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,1,0,0,0,0|2,0,1]=4 3428 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,1,0,0,0,0|2,0,1]=4 3429 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 3430 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 3431 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 3432 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 3433 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,1,0,0,0,0|2,0,1]=4 3434 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,1,0,0,0,0|3,0,0]=4 3435 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,1,0,0,0,0|3,0,0]=4 3436 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,1,0,0,0,0|3,0,0]=4 3437 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,1,0,0,0,0|3,0,0]=4 3438 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|0,0,2]=3 3439 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|0,0,2]=3 3440 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|0,0,2]=3 3441 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,2]=3 3442 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|0,0,2]=3 3443 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|0,0,2]=3 3444 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|0,0,2]=3 3445 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|0,0,2]=3 3446 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 3447 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 3448 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 3449 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 3450 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 3451 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 3452 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,0,0,0,0|1,0,2]=4 3453 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,0,0,0,0|1,0,2]=4 3454 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,0,0,0,0|1,0,2]=4 3455 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,0,0,0,0|1,0,2]=4 3456 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,0,0,0,0|1,0,2]=4 3457 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,0,0,0,0|1,0,2]=4 3458 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,1,0,0,0,0|1,0,2]=4 3459 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,1,0,0,0,0|1,0,2]=4 3460 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,1,0,0,0,0|1,0,2]=4 3461 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|1,0,2]=4 3462 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|1,0,2]=4 3463 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,1,0,0,0,0|1,0,2]=4 3464 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,1,0,0,0,0|1,0,2]=4 3465 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,1,0,0,0,0|1,0,2]=4 3466 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,1,0,0,0,0|1,0,2]=4 3467 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,1,0,0,0,0|1,0,2]=4 3468 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|1,0,2]=4 3469 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|1,0,2]=4 3470 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,1,0,0,0,0|1,0,2]=4 3471 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,1,0,0,0,0|1,0,2]=4 3472 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,1,0,0,0,0|1,0,2]=4 3473 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,1,0,0,0,0|1,0,2]=4 3474 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,1,0,0,0,0|1,0,2]=4 3475 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,1,0,0,0,0|1,0,2]=4 3476 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,1,0,0,0,0|1,0,2]=4 3477 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,1,0,0,0,0|1,0,2]=4 3478 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,0,0,0,0|1,0,2]=4 3479 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,0,0,0,0|1,0,2]=4 3480 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|1,0,2]=4 3481 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|1,0,2]=4 3482 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,1,0,0,0,0|1,0,2]=4 3483 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,1,0,0,0,0|1,0,2]=4 3484 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,1,0,0,0,0|1,0,2]=4 3485 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,0,0,0,0|1,0,2]=4 3486 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,0,0,0,0|1,0,2]=4 3487 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,1,0,0,0,0|1,0,2]=4 3488 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,1,0,0,0,0|1,0,2]=4 3489 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,0,0,0,0|1,0,2]=4 3490 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,0,0,0,0|1,0,2]=4 3491 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,0,0,0,0|1,0,2]=4 3492 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,0,0,0,0|1,0,2]=4 3493 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,0,0,0,0|1,0,2]=4 3494 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,0,0,0,0|1,0,2]=4 3495 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,0,0,0,0|1,0,2]=4 3496 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,0,0,0,0|1,0,2]=4 3497 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,0,0,0,0|1,0,2]=4 3498 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,0,0,0,0|1,0,2]=4 3499 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,1,0,0,0,0|3,0,0]=4 3500 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,1,0,0,0,0|3,0,0]=4 3501 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,1,0,0,0,0|1,0,2]=4 3502 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,1,0,0,0,0|1,0,2]=4 3503 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,1,0,0,0,0|1,0,2]=4 3504 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,1,0,0,0,0|1,0,2]=4 3505 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,1,0,0,0,0|1,0,2]=4 3506 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,1,0,0,0,0|1,0,2]=4 3507 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,0,0,0,0|1,0,1]=3 3508 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,1,0,0,0,0|1,0,1]=3 3509 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,1,0,0,0,0|1,0,1]=3 3510 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,1,0,0,0,0|1,0,1]=3 3511 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,1,0,0,0,0|1,0,1]=3 3512 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,1,0,0,0,0|3,0,0]=4 3513 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,1,0,0,0,0|3,0,0]=4 3514 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,1,0,0,0,0|3,0,0]=4 3515 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,1,0,0,0,0|2,0,1]=4 3516 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,1,0,0,0,0|2,0,0]=3 3517 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,1,0,0,0,0|2,0,0]=3 3518 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,1,0,0,0,0|2,0,1]=4 3519 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,1,0,0,0,0|2,0,1]=4 3520 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,1,0,0,0,0|2,0,1]=4 3521 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,1,0,0,0,0|2,0,1]=4 3522 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,1,0,0,0,0|2,0,1]=4 3523 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,1,0,0,0,0|2,0,1]=4 3524 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,1,0,0,0,0|2,0,1]=4 3525 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,1,0,0,0,0|2,0,1]=4 3526 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,1,0,0,0,0|2,0,1]=4 3527 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,1,0,0,0,0|2,0,1]=4 3528 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,1,0,0,0,0|2,0,1]=4 3529 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,1,0,0,0,0|2,0,1]=4 3530 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,1,0,0,0,0|2,0,1]=4 3531 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,1,0,0,0,0|2,0,1]=4 3532 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,1,0,0,0,0|2,0,0]=3 3533 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,1,0,0,0,0|2,0,0]=3 3534 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,1,0,0,0,0|2,0,1]=4 3535 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,1,0,0,0,0|2,0,1]=4 3536 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,1,0,0,0,0|2,0,1]=4 3537 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,1,0,0,0,0|2,0,1]=4 3538 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,1,0,0,0,0|2,0,1]=4 3539 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,1,0,0,0,0|2,0,1]=4 3540 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,1,0,0,0,0|2,0,1]=4 3541 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,1,0,0,0,0|2,0,1]=4 3542 B10R0.74 CNC(=O)CCNCCC#N 2230a_100000738227_100011215226 [0,1,0,0,0,0|2,0,1]=4 3543 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,1,0,0,0,0|2,0,1]=4 3544 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,1,0,0,0,0|2,0,1]=4 3545 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,1,0,0,0,0|2,0,1]=4 3546 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,1,0,0,0,0|2,0,1]=4 3547 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,1,0,0,0,0|2,0,1]=4 3548 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,1,0,0,0,0|2,0,1]=4 3549 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,1,0,0,0,0|2,0,1]=4 3550 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,1,0,0,0,0|2,0,1]=4 3551 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,1,0,0,0,0|2,0,1]=4 3552 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,1,0,0,0,0|2,0,1]=4 3553 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,1,0,0,0,0|2,0,1]=4 3554 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,1,0,0,0,0|2,0,1]=4 3555 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,1,0,0,0,0|2,0,1]=4 3556 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,1,0,0,0,0|2,0,1]=4 3557 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,1,0,0,0,0|2,0,1]=4 3558 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,1,0,0,0,0|2,0,1]=4 3559 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,1,0,0,0,0|2,0,1]=4 3560 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,1,0,0,0,0|2,0,1]=4 3561 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,1,0,0,0,0|2,0,1]=4 3562 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,1,0,0,0,0|2,0,1]=4 3563 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,1,0,0,0,0|2,0,1]=4 3564 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,1,0,0,0,0|2,0,1]=4 3565 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,1,0,0,0,0|2,0,1]=4 3566 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,1,0,0,0,0|2,0,1]=4 3567 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,1,0,0,0,0|3,0,0]=4 3568 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,1,0,0,0,0|2,0,1]=4 3569 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,1,0,0,0,0|2,0,1]=4 3570 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,1,0,0,0,0|2,0,1]=4 3571 B10R0.74 CNC(=O)CCSCCC#N 62a_100000737683_100011215226 [0,1,0,0,0,0|2,0,1]=4 3572 B10R0.74 CNC(=O)CCSCCC#N 62a_100011215226_100000737683 [0,1,0,0,0,0|2,0,1]=4 3573 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,1,0,0,0,0|2,0,1]=4 3574 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,1,0,0,0,0|2,0,1]=4 3575 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,1,0,0,0,0|2,0,1]=4 3576 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,1,0,0,0,0|2,0,1]=4 3577 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,1,0,0,0,0|2,0,1]=4 3578 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,1,0,0,0,0|2,0,1]=4 3579 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,1,0,0,0,0|2,0,1]=4 3580 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,1,0,0,0,0|2,0,1]=4 3581 B10R0.74 CNC(=O)CNCCCC#N 2230a_100000693194_100000687738 [0,1,0,0,0,0|2,0,1]=4 3582 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,1,0,0,0,0|2,0,0]=3 3583 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,1,0,0,0,0|2,0,1]=4 3584 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,1,0,0,0,0|2,0,1]=4 3585 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,1,0,0,0,0|2,0,1]=4 3586 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,1,0,0,0,0|2,0,1]=4 3587 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,1,0,0,0,0|2,0,1]=4 3588 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,1,0,0,0,0|2,0,1]=4 3589 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,1,0,0,0,0|2,0,1]=4 3590 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,1,0,0,0,0|2,0,1]=4 3591 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,1,0,0,0,0|2,0,1]=4 3592 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,1,0,0,0,0|2,0,1]=4 3593 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,1,0,0,0,0|2,0,1]=4 3594 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,1,0,0,0,0|2,0,1]=4 3595 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,1,0,0,0,0|2,0,1]=4 3596 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,1,0,0,0,0|2,0,1]=4 3597 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,1,0,0,0,0|2,0,1]=4 3598 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,1,0,0,0,0|2,0,1]=4 3599 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,1,0,0,0,0|2,0,1]=4 3600 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,1,0,0,0,0|2,0,1]=4 3601 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,1,0,0,0,0|2,0,1]=4 3602 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,1,0,0,0,0|2,0,1]=4 3603 B10R0.74 CNC(=O)CSCCCC#N 62a_100000183359_100000687738 [0,1,0,0,0,0|2,0,1]=4 3604 B10R0.74 CNC(=O)CSCCCC#N 62a_100000687738_100000183359 [0,1,0,0,0,0|2,0,1]=4 3605 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,1,0,0,0,0|2,0,0]=3 3606 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,1,0,0,0,0|2,0,0]=3 3607 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,1,0,0,0,0|2,0,1]=4 3608 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,1,0,0,0,0|2,0,1]=4 3609 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,1,0,0,0,0|2,0,1]=4 3610 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,1,0,0,0,0|2,0,1]=4 3611 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,1,0,0,0,0|2,0,1]=4 3612 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,1,0,0,0,0|2,0,1]=4 3613 B10R0.74 CNC(=O)NCCCCC#N 2708a_100000751965_106832991635 [0,1,0,0,0,0|2,0,1]=4 3614 B10R0.74 CNC(=O)NCCCCC#N 2708a_100102657272_100000751965 [0,1,0,0,0,0|2,0,1]=4 3615 B10R0.74 CNC(=O)NCCCCC#N 273464a_100000751965_100102657272 [0,1,0,0,0,0|2,0,1]=4 3616 B10R0.74 CNC(=O)NCCCCC#N 273464a_100102657272_100000751965 [0,1,0,0,0,0|2,0,1]=4 3617 B10R0.74 CNC(=O)NCCCCC#N 512a_100000751965_100102657272 [0,1,0,0,0,0|2,0,1]=4 3618 B10R0.74 CNC(=O)NCCCCC#N 512a_106832991638_100000751965 [0,1,0,0,0,0|2,0,1]=4 3619 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,1,0,0,0,0|2,0,1]=4 3620 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,1,0,0,0,0|2,0,1]=4 3621 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,1,0,0,0,0|2,0,1]=4 3622 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,1,0,0,0,0|2,0,1]=4 3623 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,1,0,0,0,0|2,0,1]=4 3624 B10R0.74 CNC(=O)NCCNCC=O 34a_100015205895_200009817547 [0,1,0,0,0,0|3,0,0]=4 3625 B10R0.74 CNC(=O)OCCSCC=O 62a_200011997002_200015260668 [0,1,0,0,0,0|3,0,0]=4 3626 B10R0.74 CNC(=O)OCCSCC=O 62a_200015260668_200011997002 [0,1,0,0,0,0|3,0,0]=4 3627 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,1,0,0,0,0|1,0,1]=3 3628 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,1,0,0,0,0|1,0,1]=3 3629 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,1,0,0,0,0|1,0,1]=3 3630 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,1,0,0,0,0|2,0,1]=4 3631 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,1,0,0,0,0|2,0,1]=4 3632 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,1,0,0,0,0|1,0,1]=3 3633 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,1,0,0,0,0|1,0,1]=3 3634 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,1,0,0,0,0|1,0,1]=3 3635 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,1,0,0,0,0|1,0,1]=3 3636 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,1,0,0,0,0|1,0,1]=3 3637 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,1,0,0,0,0|1,0,1]=3 3638 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,1,0,0,0,0|2,0,1]=4 3639 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,1,0,0,0,0|2,0,1]=4 3640 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,1,0,0,0,0|2,0,1]=4 3641 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,1,0,0,0,0|2,0,1]=4 3642 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,1,0,0,0,0|2,0,1]=4 3643 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,1,0,0,0,0|2,0,1]=4 3644 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,1,0,0,0,0|2,0,1]=4 3645 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,1,0,0,0,0|2,0,1]=4 3646 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,1,0,0,0,0|2,0,1]=4 3647 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,1,0,0,0,0|2,0,1]=4 3648 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,1,0,0,0,0|2,0,1]=4 3649 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,1,0,0,0,0|2,0,0]=3 3650 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,1,0,0,0,0|2,0,0]=3 3651 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,1,0,0,0,0|2,0,1]=4 3652 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,1,0,0,0,0|2,0,1]=4 3653 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,1,0,0,0,0|2,0,1]=4 3654 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,1,0,0,0,0|2,0,1]=4 3655 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,1,0,0,0,0|2,0,1]=4 3656 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,1,0,0,0,0|2,0,1]=4 3657 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,1,0,0,0,0|2,0,1]=4 3658 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,1,0,0,0,0|2,0,1]=4 3659 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,1,0,0,0,0|2,0,1]=4 3660 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,1,0,0,0,0|2,0,1]=4 3661 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,1,0,0,0,0|2,0,1]=4 3662 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,1,0,0,0,0|2,0,1]=4 3663 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,1,0,0,0,0|2,0,1]=4 3664 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,1,0,0,0,0|3,0,0]=4 3665 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,1,0,0,0,0|2,0,1]=4 3666 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,1,0,0,0,0|2,0,1]=4 3667 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,1,0,0,0,0|2,0,1]=4 3668 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,1,0,0,0,0|2,0,1]=4 3669 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,1,0,0,0,0|2,0,1]=4 3670 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,1,0,0,0,0|2,0,1]=4 3671 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,1,0,0,0,0|2,0,1]=4 3672 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,1,0,0,0,0|2,0,1]=4 3673 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,1,0,0,0,0|2,0,1]=4 3674 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,1,0,0,0,0|2,0,1]=4 3675 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 3676 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 3677 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,1,0,0,0,0|2,0,1]=4 3678 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,1,0,0,0,0|2,0,1]=4 3679 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 3680 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 3681 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,1,0,0,0,0|2,0,1]=4 3682 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,1,0,0,0,0|2,0,1]=4 3683 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,1,0,0,0,0|2,0,1]=4 3684 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 3685 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,1,0,0,0,0|2,0,1]=4 3686 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,1,0,0,0,0|2,0,1]=4 3687 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,1,0,0,0,0|2,0,1]=4 3688 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,1,0,0,0,0|2,0,1]=4 3689 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,1,0,0,0,0|2,0,0]=3 3690 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,1,0,0,0,0|2,0,0]=3 3691 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,1,0,0,0,0|2,0,1]=4 3692 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,1,0,0,0,0|2,0,1]=4 3693 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 3694 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,0,0,0,0|2,0,1]=4 3695 B10R0.74 COC(=O)NCCOCC=O 34a_100000757965_200009817547 [0,1,0,0,0,0|3,0,0]=4 3696 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,1,0,0,0,0|3,0,0]=4 3697 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,1,0,0,0,0|1,0,1]=3 3698 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,1,0,0,0,0|1,0,1]=3 3699 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,1,0,0,0,0|1,0,1]=3 3700 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,1,0,0,0,0|1,0,1]=3 3701 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,1,0,0,0,0|2,0,1]=4 3702 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,1,0,0,0,0|2,0,1]=4 3703 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,1,0,0,0,0|2,0,1]=4 3704 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,1,0,0,0,0|2,0,1]=4 3705 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,1,0,0,0,0|2,0,1]=4 3706 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,1,0,0,0,0|2,0,1]=4 3707 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,1,0,0,0,0|2,0,1]=4 3708 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,1,0,0,0,0|2,0,1]=4 3709 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,1,0,0,0,0|2,0,1]=4 3710 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,1,0,0,0,0|2,0,1]=4 3711 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,1,0,0,0,0|2,0,1]=4 3712 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,1,0,0,0,0|2,0,1]=4 3713 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,1,0,0,0,0|1,0,1]=3 3714 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,1,0,0,0,0|2,0,1]=4 3715 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,1,0,0,0,0|2,0,1]=4 3716 B10R0.74 NNC(=O)CCCOCC=O 34a_100000211488_200009817547 [0,1,0,0,0,0|3,0,0]=4 3717 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,0,0,0,0|1,0,1]=3 3718 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,0,0,0,0|1,0,1]=3 3719 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|1,0,1]=3 3720 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,0,0,0,0|2,0,1]=4 3721 B10R0.74 [N-]=[N+]=NCCCCC(=O)CF 1458a_100000070148_100015361967 [0,1,0,0,0,0|3,0,0]=4 3722 B10R0.75 C#CCCCOC(C)C(=O)C 34a_100000212229_100000695029 [0,1,0,0,0,0|1,0,2]=4 3723 B10R0.75 C#CCCCOC(C)C(=O)C 7a_100000215630_100000179758 [0,1,0,0,0,0|1,0,2]=4 3724 B10R0.75 C#CCCCSC(C)C(=O)C 62a_100009814033_100011215417 [0,1,0,0,0,0|1,0,2]=4 3725 B10R0.75 C#CCCCSC(C)C(=O)C 62a_100011215417_100009814033 [0,1,0,0,0,0|1,0,2]=4 3726 B10R0.75 C#CCCOCC(C)C(=O)C 34a_100000032740_100000688953 [0,1,0,0,0,0|1,0,2]=4 3727 B10R0.75 C#CCCOCC(C)C(=O)C 7a_100000032740_100000688953 [0,1,0,0,0,0|1,0,2]=4 3728 B10R0.75 C/C=C/COCC(C)C(=O)C 34a_100000032740_100102629194 [0,1,0,0,0,0|1,0,2]=4 3729 B10R0.75 C/C=C/COCC(C)C(=O)C 7a_100000032740_100102629194 [0,1,0,0,0,0|1,0,2]=4 3730 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,1,0,0,0,0|1,0,1]=3 3731 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,1,0,0,0,0|1,0,2]=4 3732 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,1,0,0,0,0|1,0,2]=4 3733 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,1,0,0,0,0|1,0,2]=4 3734 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [0,1,0,0,0,0|2,0,1]=4 3735 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [0,1,0,0,0,0|2,0,1]=4 3736 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [0,1,0,0,0,0|2,0,1]=4 3737 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [0,1,0,0,0,0|2,0,1]=4 3738 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,1,0,0,0,0|0,0,3]=4 3739 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,1,0,0,0,0|0,0,3]=4 3740 B10R0.75 C=CCCCCN(C)C(=O)C 11a_100012000471_100015343762 [0,1,0,0,0,0|1,0,0]=2 3741 B10R0.75 C=CCCCCN(C)C(=O)C 1626a_100012000471_100015343762 [0,1,0,0,0,0|1,0,0]=2 3742 B10R0.75 C=CCCCCN(C)C(=O)C 240690a_100012000471_100015343762 [0,1,0,0,0,0|1,0,0]=2 3743 B10R0.75 C=CCCCCN(C)C(=O)C 527a_100012000471_100103153847 [0,1,0,0,0,0|1,0,0]=2 3744 B10R0.75 C=CCCCCN(C)C(C)C 2230a_100012000471_100000210206 [0,1,0,0,0,0|2,0,1]=4 3745 B10R0.75 C=CCCCCN(C)C(C)C 269982a_100012000471_100000210206 [0,1,0,0,0,0|2,0,1]=4 3746 B10R0.75 C=CCCCCN(C)C(C)C 269982a_200000211004_100011215482 [0,1,0,0,0,0|2,0,1]=4 3747 B10R0.75 C=CCCCNC(=O)C(=C)C 11a_100000700776_100000185857 [0,1,0,0,0,0|2,0,1]=4 3748 B10R0.75 C=CCCCNC(=O)C(=C)C 1626a_100000700776_100000185857 [0,1,0,0,0,0|2,0,1]=4 3749 B10R0.75 C=CCCCNC(=O)C(=O)N 240690a_100000700776_100011215815 [0,1,0,0,0,0|2,0,1]=4 3750 B10R0.75 C=CCCCNC(C)C(=C)C 269862a_100000700776_100011216138 [0,1,0,0,0,0|2,0,0]=3 3751 B10R0.75 C=CCCCNC(C)C(=O)C 2230a_100000700776_100009814033 [0,1,0,0,0,0|1,0,0]=2 3752 B10R0.75 C=CCCCNC(C)C(=O)N 2230a_100000700776_100000702099 [0,1,0,0,0,0|2,0,0]=3 3753 B10R0.75 C=CCCCNC(C)C(=O)N 34a_100000700776_100000702099 [0,1,0,0,0,0|2,0,0]=3 3754 B10R0.75 C=CCCCNC(C)C(C)C 2230a_100000211541_100011713584 [0,1,0,0,0,0|2,0,1]=4 3755 B10R0.75 C=CCCCNC(F)C(=O)N 2230a_100000700776_100009813875 [0,1,0,0,0,0|2,0,0]=3 3756 B10R0.75 C=CCCCNC(F)C(=O)N 34a_100000700776_100009813875 [0,1,0,0,0,0|2,0,0]=3 3757 B10R0.75 C=CCCCNC(F)C(=O)[O-] 34a_100000700776_100020610796 [0,1,0,0,0,0|2,0,0]=3 3758 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,1,0,0,0,0|2,0,0]=3 3759 B10R0.75 C=CCCCN[C@H](C)C(=O)N 2230a_100000119354_100011713584 [0,1,0,0,0,0|2,0,0]=3 3760 B10R0.75 C=CCCCN[C@H](C)C(=O)N 34a_100000119354_100000757094 [0,1,0,0,0,0|2,0,0]=3 3761 B10R0.75 C=CCCCOC(C)C(=O)C 34a_100000212229_100000757094 [0,1,0,0,0,0|1,0,0]=2 3762 B10R0.75 C=CCCCOC(C)C(=O)C 7a_100000758997_100000179758 [0,1,0,0,0,0|1,0,0]=2 3763 B10R0.75 C=CCCCOC(C)C(=O)N 34a_100000758997_100000702099 [0,1,0,0,0,0|2,0,0]=3 3764 B10R0.75 C=CCCCOC(C)C(=O)N 7a_100000758997_100000702099 [0,1,0,0,0,0|2,0,0]=3 3765 B10R0.75 C=CCCCOC(C)C(C)C 7a_100000748068_100000757094 [0,1,0,0,0,0|2,0,1]=4 3766 B10R0.75 C=CCCCOC(F)C(=O)N 34a_100000758997_100009813875 [0,1,0,0,0,0|2,0,0]=3 3767 B10R0.75 C=CCCCOC(F)C(=O)N 7a_100000758997_100009813875 [0,1,0,0,0,0|2,0,0]=3 3768 B10R0.75 C=CCCCOC(F)C(=O)[O-] 34a_100000758997_100020610796 [0,1,0,0,0,0|2,0,0]=3 3769 B10R0.75 C=CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757094 [0,1,0,0,0,0|2,0,0]=3 3770 B10R0.75 C=CCCCO[C@H](C)C(=O)N 34a_100000731257_100000757094 [0,1,0,0,0,0|2,0,0]=3 3771 B10R0.75 C=CCCCO[C@H](C)C(=O)N 7a_100000731257_100000757094 [0,1,0,0,0,0|2,0,0]=3 3772 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100009814033_100000757094 [0,1,0,0,0,0|1,0,0]=2 3773 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100011713584_100009814033 [0,1,0,0,0,0|1,0,0]=2 3774 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100000702099_100000757094 [0,1,0,0,0,0|2,0,0]=3 3775 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100011713584_100000702099 [0,1,0,0,0,0|2,0,0]=3 3776 B10R0.75 C=CCCCSC(F)C(=O)N 62a_100009813875_100000757094 [0,1,0,0,0,0|2,0,0]=3 3777 B10R0.75 C=CCCCSC(F)C(=O)N 62a_100011713584_100009813875 [0,1,0,0,0,0|2,0,0]=3 3778 B10R0.75 C=CCCCSC(F)C(=O)[O-] 62a_100011713584_100020610796 [0,1,0,0,0,0|2,0,0]=3 3779 B10R0.75 C=CCCCSC(F)C(=O)[O-] 62a_100020610796_100000757094 [0,1,0,0,0,0|2,0,0]=3 3780 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,1,0,0,0,0|2,0,0]=3 3781 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,1,0,0,0,0|2,0,0]=3 3782 B10R0.75 C=CCCNCC(O)C(C)C 2230a_100000759067_100000754431 [0,1,0,0,0,0|2,0,1]=4 3783 B10R0.75 C=CCCNCC(O)C(C)C 34a_100000759067_100000754431 [0,1,0,0,0,0|2,0,1]=4 3784 B10R0.75 C=CCCOCC(=O)C(=O)C 34a_100011205117_100011261029 [0,1,0,0,0,0|1,0,1]=3 3785 B10R0.75 C=CCCOCC(C)C(=O)C 34a_100000032740_100000754431 [0,1,0,0,0,0|1,0,0]=2 3786 B10R0.75 C=CCCOCC(C)C(=O)C 7a_100000032740_100000754431 [0,1,0,0,0,0|1,0,0]=2 3787 B10R0.75 C=CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000754431 [0,1,0,0,0,0|3,0,0]=4 3788 B10R0.75 C=CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000754431 [0,1,0,0,0,0|3,0,0]=4 3789 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,1,0,0,0,0|2,0,0]=3 3790 B10R0.75 C=CCCOC[C@H](N)C(C)C 34a_100011830312_100000754431 [0,1,0,0,0,0|2,0,1]=4 3791 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100000754431_100011261029 [0,1,0,0,0,0|1,0,1]=3 3792 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100011261029_100000754431 [0,1,0,0,0,0|1,0,1]=3 3793 B10R0.75 C=CCOCCC(N)C(C)C 34a_100161115045_100015514636 [0,1,0,0,0,0|2,0,1]=4 3794 B10R0.75 C=COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000039644 [0,1,0,0,0,0|3,0,0]=4 3795 B10R0.75 C=COCCN[C@H](C)C(=O)N 2230a_100000119354_100000039644 [0,1,0,0,0,0|3,0,0]=4 3796 B10R0.75 C=COCCN[C@H](C)C(=O)N 34a_100000119354_100000039644 [0,1,0,0,0,0|3,0,0]=4 3797 B10R0.75 C=COCCOC(C)C(=O)C 34a_100000212229_100000039644 [0,1,0,0,0,0|2,0,0]=3 3798 B10R0.75 C=COCCOC(C)C(=O)N 34a_100000033082_100000702099 [0,1,0,0,0,0|3,0,0]=4 3799 B10R0.75 C=COCCOC(F)C(=O)N 34a_100000033082_100009813875 [0,1,0,0,0,0|3,0,0]=4 3800 B10R0.75 C=COCCOC(F)C(=O)[O-] 34a_100000033082_100020610796 [0,1,0,0,0,0|3,0,0]=4 3801 B10R0.75 C=COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000039644 [0,1,0,0,0,0|3,0,0]=4 3802 B10R0.75 C=COCCO[C@H](C)C(=O)N 34a_100000731257_100000039644 [0,1,0,0,0,0|3,0,0]=4 3803 B10R0.75 C=COCCO[C@H](C)C(=O)N 7a_100000731257_100000039644 [0,1,0,0,0,0|3,0,0]=4 3804 B10R0.75 C=COCCSC(C)C(=O)C 62a_100000039644_100009814033 [0,1,0,0,0,0|2,0,0]=3 3805 B10R0.75 C=COCCSC(C)C(=O)C 62a_100009814033_100000039644 [0,1,0,0,0,0|2,0,0]=3 3806 B10R0.75 C=COCCSC(C)C(=O)N 62a_100000039644_100000702099 [0,1,0,0,0,0|3,0,0]=4 3807 B10R0.75 C=COCCSC(C)C(=O)N 62a_100000702099_100000039644 [0,1,0,0,0,0|3,0,0]=4 3808 B10R0.75 C=COCCSC(F)C(=O)N 62a_100000039644_100009813875 [0,1,0,0,0,0|3,0,0]=4 3809 B10R0.75 C=COCCSC(F)C(=O)N 62a_100009813875_100000039644 [0,1,0,0,0,0|3,0,0]=4 3810 B10R0.75 C=COCCSC(F)C(=O)[O-] 62a_100000039644_100020610796 [0,1,0,0,0,0|3,0,0]=4 3811 B10R0.75 C=COCCSC(F)C(=O)[O-] 62a_100020610796_100000039644 [0,1,0,0,0,0|3,0,0]=4 3812 B10R0.75 CC(=O)C(C)COCCC#N 7a_100000032740_100000184422 [0,1,0,0,0,0|2,0,1]=4 3813 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,1,0,0,0,0|2,0,1]=4 3814 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,1,0,0,0,0|2,0,1]=4 3815 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,1,0,0,0,0|2,0,1]=4 3816 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,1,0,0,0,0|2,0,1]=4 3817 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,1,0,0,0,0|2,0,1]=4 3818 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,1,0,0,0,0|2,0,1]=4 3819 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,1,0,0,0,0|2,0,1]=4 3820 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,1,0,0,0,0|2,0,1]=4 3821 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,1,0,0,0,0|2,0,1]=4 3822 B10R0.75 CC(=O)C(C)SCCCC#N 62a_100000687738_100009814033 [0,1,0,0,0,0|2,0,1]=4 3823 B10R0.75 CC(=O)C(C)SCCCC#N 62a_100009814033_100000687738 [0,1,0,0,0,0|2,0,1]=4 3824 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [0,1,0,0,0,0|2,0,0]=3 3825 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [0,1,0,0,0,0|2,0,0]=3 3826 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,1,0,0,0,0|2,0,1]=4 3827 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,1,0,0,0,0|2,0,1]=4 3828 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,1,0,0,0,0|2,0,1]=4 3829 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,1,0,0,0,0|2,0,1]=4 3830 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,1,0,0,0,0|2,0,1]=4 3831 B10R0.75 CC(SCCCC=O)C(=O)N 62a_100000702099_200011292268 [0,1,0,0,0,0|3,0,0]=4 3832 B10R0.75 CC(SCCCC=O)C(=O)N 62a_200011292268_100000702099 [0,1,0,0,0,0|3,0,0]=4 3833 B10R0.75 CC=CCOCC(C)C(=O)C 34a_100000032740_100000070051 [0,1,0,0,0,0|1,0,2]=4 3834 B10R0.75 CC=CCOCC(C)C(=O)C 7a_100000032740_100000070051 [0,1,0,0,0,0|1,0,2]=4 3835 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|0,0,2]=3 3836 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|0,0,2]=3 3837 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|0,0,2]=3 3838 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 3839 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 3840 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 3841 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,0,0,0,0|1,0,2]=4 3842 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,0,0,0,0|1,0,2]=4 3843 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,0,0,0,0|1,0,2]=4 3844 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,0,0,0,0|1,0,2]=4 3845 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,0,0,0,0|1,0,2]=4 3846 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,0,0,0,0|1,0,2]=4 3847 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,0,0,0,0|1,0,2]=4 3848 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,0,0,0,0|1,0,2]=4 3849 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,1,0,0,0,0|2,0,1]=4 3850 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,1,0,0,0,0|2,0,1]=4 3851 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,1,0,0,0,0|2,0,1]=4 3852 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,1,0,0,0,0|2,0,1]=4 3853 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,1,0,0,0,0|2,0,1]=4 3854 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,1,0,0,0,0|2,0,1]=4 3855 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,1,0,0,0,0|2,0,1]=4 3856 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,1,0,0,0,0|2,0,1]=4 3857 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,1,0,0,0,0|2,0,1]=4 3858 B10R0.75 C[C@@H](NCCCC=O)C(=O)N 2230a_100000119354_200011292268 [0,1,0,0,0,0|3,0,0]=4 3859 B10R0.75 C[C@@H](OCCCC=O)C(=O)N 7a_100000731257_200011292268 [0,1,0,0,0,0|3,0,0]=4 3860 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,1,0,0,0,0|3,0,0]=4 3861 B10R0.75 C[C@H](OCCCC=O)C(=O)[O-] 7a_217856618621_200011292268 [0,1,0,0,0,0|3,0,0]=4 3862 B10R0.75 NC(=O)C(F)SCCCC=O 62a_100009813875_200011292268 [0,1,0,0,0,0|3,0,0]=4 3863 B10R0.75 NC(=O)C(F)SCCCC=O 62a_200011292268_100009813875 [0,1,0,0,0,0|3,0,0]=4 3864 B10R0.75 O=CCCCSC(F)C(=O)[O-] 62a_100020610796_200011292268 [0,1,0,0,0,0|3,0,0]=4 3865 B10R0.75 O=CCCCSC(F)C(=O)[O-] 62a_200011292268_100020610796 [0,1,0,0,0,0|3,0,0]=4 3866 B10R0.78 C=CCCC(=NNC(=O)C)C 4a_100000189765_100000762624 [0,1,0,0,0,0|2,0,1]=4 3867 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100000749702_100000761012 [0,1,0,0,0,0|1,0,2]=4 3868 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100011220947_100000754431 [0,1,0,0,0,0|1,0,2]=4 3869 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_100000749702_100000730704 [0,1,0,0,0,0|1,0,1]=3 3870 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_200000688413_100000754431 [0,1,0,0,0,0|1,0,1]=3 3871 B10R0.78 C=CCCC(=O)CCC(=O)N 1458a_100011215257_100000754431 [0,1,0,0,0,0|1,0,1]=3 3872 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [0,1,0,0,0,0|1,0,2]=4 3873 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [0,1,0,0,0,0|1,0,2]=4 3874 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [0,1,0,0,0,0|0,0,3]=4 3875 B10R0.78 C=CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000754431 [0,1,0,0,0,0|2,0,1]=4 3876 B10R0.78 C=CCCC(=O)CC[S+](C)C 1458a_100009452791_100000754431 [0,1,0,0,0,0|2,0,1]=4 3877 B10R0.78 C=CCCC(=O)CNC(=O)C 1458a_100000194580_100000754431 [0,1,0,0,0,0|1,0,1]=3 3878 B10R0.78 C=CCCC(=O)CNC(=O)N 1458a_100000184981_100000754431 [0,1,0,0,0,0|2,0,1]=4 3879 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,1,0,0,0,0|1,0,1]=3 3880 B10R0.78 C=CCCC(=O)CSC(=O)C 1458a_100000049016_100000754431 [0,1,0,0,0,0|1,0,1]=3 3881 B10R0.78 C=CCCC(=O)NCC(=C)C 11a_100000765925_100000749702 [0,1,0,0,0,0|2,0,1]=4 3882 B10R0.78 C=CCCC(=O)NCC(=C)C 1626a_100000765925_100000749702 [0,1,0,0,0,0|2,0,1]=4 3883 B10R0.78 C=CCCC(=O)NCC(=C)C 240690a_100000765925_100000749702 [0,1,0,0,0,0|2,0,1]=4 3884 B10R0.78 C=CCCC(=O)NCC(=C)C 527a_100000765925_100000749702 [0,1,0,0,0,0|2,0,1]=4 3885 B10R0.78 C=CCCC(=O)NCC(=O)N 11a_100000711301_100000749702 [0,1,0,0,0,0|2,0,1]=4 3886 B10R0.78 C=CCCC(=O)NCC(=O)N 240690a_100000711301_100000749702 [0,1,0,0,0,0|2,0,1]=4 3887 B10R0.78 C=CCCC(=O)NCC(=O)N 527a_100000711301_100000749702 [0,1,0,0,0,0|2,0,1]=4 3888 B10R0.78 C=CCCC(=O)NNC(=O)C 22a_100000189765_100000749702 [0,1,0,0,0,0|2,0,1]=4 3889 B10R0.78 C=CCCC(C)NCC(C)C 270004a_100000210953_100000762624 [0,1,0,0,0,0|2,0,1]=4 3890 B10R0.78 C=CCCC(C)NCC(C)O 270004a_100000210904_100000762624 [0,1,0,0,0,0|1,0,2]=4 3891 B10R0.78 C=CCCC(C)OCC(=C)C 34a_100000765329_100000748629 [0,1,0,0,0,0|2,0,0]=3 3892 B10R0.78 C=CCCC(C)OCC(=C)C 7a_100000765329_100000748629 [0,1,0,0,0,0|2,0,0]=3 3893 B10R0.78 C=CCCC(C)OCC(=C)F 34a_100000765329_100009893438 [0,1,0,0,0,0|2,0,1]=4 3894 B10R0.78 C=CCCC(C)OCC(=C)F 7a_100000765329_100000042424 [0,1,0,0,0,0|2,0,1]=4 3895 B10R0.78 C=CCCC(C)OCC(=O)N 34a_100000765329_100000187820 [0,1,0,0,0,0|2,0,0]=3 3896 B10R0.78 C=CCCC(C)OCC(=O)N 7a_100000765329_100000187820 [0,1,0,0,0,0|2,0,0]=3 3897 B10R0.78 C=CCCC(C)OCC(=O)[O-] 34a_100000765329_100020667443 [0,1,0,0,0,0|2,0,0]=3 3898 B10R0.78 C=CCCC(C)OCC(C)C 34a_100000765329_100000210624 [0,1,0,0,0,0|2,0,1]=4 3899 B10R0.78 C=CCCC(C)OCC(C)C 7a_100000765329_100000210760 [0,1,0,0,0,0|2,0,1]=4 3900 B10R0.78 C=CCCC(C)OCC(C)O 34a_100000765329_100011218427 [0,1,0,0,0,0|1,0,2]=4 3901 B10R0.78 C=CCCC(C)OCC(C)O 7a_100000765329_100011218427 [0,1,0,0,0,0|1,0,2]=4 3902 B10R0.78 C=CCCC(C)OC[C@@H](C)O 34a_100000765329_100009817552 [0,1,0,0,0,0|1,0,2]=4 3903 B10R0.78 C=CCCC(C)OC[C@@H](C)O 7a_100000765329_100009817552 [0,1,0,0,0,0|1,0,2]=4 3904 B10R0.78 C=CCCC(C)OC[N+](=O)[O-] 34a_100000765329_100000761209 [0,1,0,0,0,0|3,0,0]=4 3905 B10R0.78 C=CCCN(C)CC=C(C)C 2230a_100020639649_100000761012 [0,1,0,0,0,0|2,0,1]=4 3906 B10R0.78 C=CCCN(C)CC=C(C)C 269982a_100020639649_100000761012 [0,1,0,0,0,0|2,0,1]=4 3907 B10R0.78 C=CCCN(C)CCC(=C)C 2230a_100020639649_100000730704 [0,1,0,0,0,0|2,0,0]=3 3908 B10R0.78 C=CCCN(C)CCC(=C)C 269982a_100020639649_100000730704 [0,1,0,0,0,0|2,0,0]=3 3909 B10R0.78 C=CCCN(C)CCC(=O)C 269982a_100020639649_100000053229 [0,1,0,0,0,0|1,0,0]=2 3910 B10R0.78 C=CCCN(C)CCC(=O)N 2230a_100000730477_100000754431 [0,1,0,0,0,0|2,0,0]=3 3911 B10R0.78 C=CCCN(C)CCC(=O)N 2230a_100020639649_100000744528 [0,1,0,0,0,0|2,0,0]=3 3912 B10R0.78 C=CCCN(C)CCC(=O)N 269982a_100020639649_100000744528 [0,1,0,0,0,0|2,0,0]=3 3913 B10R0.78 C=CCCN(C)CCC(C)C 2230a_100000742789_100000754431 [0,1,0,0,0,0|2,0,1]=4 3914 B10R0.78 C=CCCN(C)CCC(C)C 2230a_100020639649_100000210312 [0,1,0,0,0,0|2,0,1]=4 3915 B10R0.78 C=CCCN(C)CCC(C)C 269982a_100000742789_100000754431 [0,1,0,0,0,0|2,0,1]=4 3916 B10R0.78 C=CCCN(C)CCC(C)C 269982a_100020639649_100000210312 [0,1,0,0,0,0|2,0,1]=4 3917 B10R0.78 C=CCCN(C)CCC(C)O 2230a_100020639649_100012276601 [0,1,0,0,0,0|1,0,2]=4 3918 B10R0.78 C=CCCN(C)CCC(C)O 269982a_100020639649_100012276601 [0,1,0,0,0,0|1,0,2]=4 3919 B10R0.78 C=CCCN(C)CCN(C)C 269982a_100000225618_100000754431 [0,1,0,0,0,0|3,0,0]=4 3920 B10R0.78 C=CCCN(C)CCN(C)C 269982a_100020639649_100000755713 [0,1,0,0,0,0|3,0,0]=4 3921 B10R0.78 C=CCCN(C)COC(=O)C 269982a_100020639649_100000076356 [0,1,0,0,0,0|2,0,0]=3 3922 B10R0.78 C=CCNC(=O)CCC(=C)C 1626a_100020586998_200000688413 [0,1,0,0,0,0|2,0,1]=4 3923 B10R0.78 C=CCNC(=O)CCC(=C)C 240690a_100020586998_200000688413 [0,1,0,0,0,0|2,0,1]=4 3924 B10R0.78 C=CCNC(=O)CCC(=C)C 527a_100020586998_200000688413 [0,1,0,0,0,0|2,0,1]=4 3925 B10R0.78 C=CCNC(=O)CCC(=O)N 240690a_100020586998_100011215257 [0,1,0,0,0,0|2,0,1]=4 3926 B10R0.78 C=CCNC(=O)CCC(=O)N 527a_100020586998_100011215257 [0,1,0,0,0,0|2,0,1]=4 3927 B10R0.78 C=CCNC(=O)CNC(=O)C 1626a_100020586998_100000194580 [0,1,0,0,0,0|2,0,1]=4 3928 B10R0.78 C=CCNC(=O)CNC(=O)C 240690a_100020586998_100000194580 [0,1,0,0,0,0|2,0,1]=4 3929 B10R0.78 C=CCNC(=O)CNC(=O)C 527a_100020586998_100000194580 [0,1,0,0,0,0|2,0,1]=4 3930 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,1,0,0,0,0|2,0,1]=4 3931 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,1,0,0,0,0|2,0,1]=4 3932 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,1,0,0,0,0|2,0,1]=4 3933 B10R0.78 C=CCNC(=O)CSC(=O)C 1626a_100020586998_100000049016 [0,1,0,0,0,0|2,0,1]=4 3934 B10R0.78 C=CCNC(=O)CSC(=O)C 240690a_100020586998_100000049016 [0,1,0,0,0,0|2,0,1]=4 3935 B10R0.78 C=CCNC(C)CCC(=C)C 270004a_100020586998_100011215600 [0,1,0,0,0,0|2,0,0]=3 3936 B10R0.78 C=CCNC(C)CCC(C)C 2230a_100020586998_100011261404 [0,1,0,0,0,0|2,0,1]=4 3937 B10R0.78 C=CCNC(C)CCC(C)C 2230a_100138410893_100000210623 [0,1,0,0,0,0|2,0,1]=4 3938 B10R0.78 C=CCNC(C)CCC(C)C 270004a_100020586998_100000210476 [0,1,0,0,0,0|2,0,1]=4 3939 B10R0.78 C=CCNC(C)COC(=O)C 270004a_100020586998_100000000629 [0,1,0,0,0,0|2,0,0]=3 3940 B10R0.78 C=CCOC(=O)NCC(=O)C 1458a_100000216761_200000210301 [0,1,0,0,0,0|2,0,1]=4 3941 B10R0.78 C=CCOC(=O)NCC(=O)[13CH3] 1458a_100000216761_200025704644 [0,1,0,0,0,0|2,0,1]=4 3942 B10R0.78 C=CCOC(C)CCC(C)C 34a_100011215350_100015514636 [0,1,0,0,0,0|2,0,1]=4 3943 B10R0.78 C=CCOC(C)CCC(C)C 34a_200000210373_100011261404 [0,1,0,0,0,0|2,0,1]=4 3944 B10R0.78 C=CCOC(C)CCC(C)C 7a_100011215350_100015514636 [0,1,0,0,0,0|2,0,1]=4 3945 B10R0.78 C=CCSC(C)CCC(C)C 62a_100000210623_100011261404 [0,1,0,0,0,0|2,0,1]=4 3946 B10R0.78 C=CCSC(C)CCC(C)C 62a_100011261404_100000210623 [0,1,0,0,0,0|2,0,1]=4 3947 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,1,0,0,0,0|2,0,1]=4 3948 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,1,0,0,0,0|2,0,1]=4 3949 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,1,0,0,0,0|2,0,1]=4 3950 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,0,0,0,0|0,0,2]=3 3951 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,0,0,0,0|0,0,2]=3 3952 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,1,0,0,0,0|1,0,2]=4 3953 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,1,0,0,0,0|1,0,2]=4 3954 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,1,0,0,0,0|2,0,1]=4 3955 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,1,0,0,0,0|2,0,1]=4 3956 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,1,0,0,0,0|2,0,1]=4 3957 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [0,1,0,0,0,0|2,0,1]=4 3958 B10R0.97 C=C(Br)CCOCC=C(C)C 34a_100009813270_100000761012 [0,1,0,0,0,0|2,0,1]=4 3959 B10R0.97 C=C(Br)CCOCCC(=O)N 34a_100009813270_100000731001 [0,1,0,0,0,0|2,0,0]=3 3960 B10R0.97 C=C(Br)CCOCCC(C)C 34a_100009813270_100000210312 [0,1,0,0,0,0|2,0,1]=4 3961 B10R0.97 C=C(Br)CCOCCC(C)O 34a_100009813270_100012276601 [0,1,0,0,0,0|1,0,2]=4 3962 B10R0.97 C=C(Br)CCOCOC(=O)C 34a_100009813270_100009813279 [0,1,0,0,0,0|2,0,0]=3 3963 B10R0.97 C=C(C)CCNCC=C(C)C 34a_100000718196_100000730704 [0,1,0,0,0,0|2,0,1]=4 3964 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,1,0,0,0,0|1,0,2]=4 3965 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,1,0,0,0,0|3,0,0]=4 3966 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000753907_100000730704 [0,1,0,0,0,0|2,0,1]=4 3967 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000764851_100000761012 [0,1,0,0,0,0|2,0,1]=4 3968 B10R0.97 C=C(C)CCOCCC(=C)Br 34a_100009813270_100000730704 [0,1,0,0,0,0|2,0,0]=3 3969 B10R0.97 C=C(C)CCOCCC(=C)C 34a_100000764851_100000730704 [0,1,0,0,0,0|2,0,0]=3 3970 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,1,0,0,0,0|1,0,0]=2 3971 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,1,0,0,0,0|1,0,0]=2 3972 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,1,0,0,0,0|2,0,0]=3 3973 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,1,0,0,0,0|2,0,0]=3 3974 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,1,0,0,0,0|2,0,0]=3 3975 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,1,0,0,0,0|2,0,1]=4 3976 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,1,0,0,0,0|2,0,1]=4 3977 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,1,0,0,0,0|2,0,1]=4 3978 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,1,0,0,0,0|2,0,1]=4 3979 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,1,0,0,0,0|1,0,2]=4 3980 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,1,0,0,0,0|2,0,1]=4 3981 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [0,1,0,0,0,0|2,0,0]=3 3982 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000730704_100000761012 [0,1,0,0,0,0|2,0,1]=4 3983 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000761012_100000730704 [0,1,0,0,0,0|2,0,1]=4 3984 B10R0.97 C=C(C)CCSCCC(=C)C 62a_100000730704_100000730704 [0,1,0,0,0,0|2,0,0]=3 3985 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,1,0,0,0,0|1,0,0]=2 3986 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,1,0,0,0,0|1,0,0]=2 3987 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,1,0,0,0,0|2,0,0]=3 3988 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,1,0,0,0,0|2,0,0]=3 3989 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,1,0,0,0,0|2,0,1]=4 3990 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,1,0,0,0,0|2,0,1]=4 3991 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,1,0,0,0,0|1,0,2]=4 3992 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,1,0,0,0,0|1,0,2]=4 3993 B10R0.97 C=C(C)CCSCCN(C)C 62a_100000730704_100000755713 [0,1,0,0,0,0|3,0,0]=4 3994 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,1,0,0,0,0|2,0,0]=3 3995 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,1,0,0,0,0|2,0,0]=3 3996 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [0,1,0,0,0,0|2,0,0]=3 3997 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,1,0,0,0,0|2,0,1]=4 3998 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,1,0,0,0,0|2,0,1]=4 3999 B10R0.97 C=C(C)CNCCCS(=O)C 2230a_200000753449_100000748629 [0,1,0,0,0,0|2,0,0]=3 4000 B10R0.97 C=C(C)CNCCNC(=O)C 2230a_100000209853_100000748629 [0,1,0,0,0,0|2,0,0]=3 4001 B10R0.97 C=C(C)CNCCNC(=O)N 34a_100020590234_100000748629 [0,1,0,0,0,0|3,0,0]=4 4002 B10R0.97 C=C(C)COCCC=C(C)C 34a_100000210245_100011217483 [0,1,0,0,0,0|2,0,1]=4 4003 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,1,0,0,0,0|1,0,0]=2 4004 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,1,0,0,0,0|1,0,0]=2 4005 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,1,0,0,0,0|1,0,0]=2 4006 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [0,1,0,0,0,0|2,0,0]=3 4007 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,1,0,0,0,0|2,0,1]=4 4008 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,1,0,0,0,0|2,0,1]=4 4009 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,1,0,0,0,0|2,0,1]=4 4010 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,1,0,0,0,0|1,0,2]=4 4011 B10R0.97 C=C(C)COCCC[N+](=O)[O-] 34a_200000037920_100000748629 [0,1,0,0,0,0|3,0,0]=4 4012 B10R0.97 C=C(C)COCCNC(=O)C 34a_100000158858_100000748629 [0,1,0,0,0,0|2,0,0]=3 4013 B10R0.97 C=C(C)COCCNC(=O)N 34a_100000181757_100000748629 [0,1,0,0,0,0|3,0,0]=4 4014 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,1,0,0,0,0|2,0,0]=3 4015 B10R0.97 C=C(C)COCCOC(=O)N 34a_100000210245_200011214921 [0,1,0,0,0,0|3,0,0]=4 4016 B10R0.97 C=C(C)COCCOC(=O)N 7a_100000766696_100000748629 [0,1,0,0,0,0|3,0,0]=4 4017 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100000748629_100011217483 [0,1,0,0,0,0|2,0,1]=4 4018 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100011217483_100000211660 [0,1,0,0,0,0|2,0,1]=4 4019 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,1,0,0,0,0|1,0,0]=2 4020 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,1,0,0,0,0|1,0,0]=2 4021 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [0,1,0,0,0,0|2,0,0]=3 4022 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [0,1,0,0,0,0|2,0,0]=3 4023 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,1,0,0,0,0|2,0,1]=4 4024 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,1,0,0,0,0|2,0,1]=4 4025 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,1,0,0,0,0|1,0,2]=4 4026 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,1,0,0,0,0|1,0,2]=4 4027 B10R0.97 C=C(C)CSCCCN(C)C 62a_100000748629_100000757444 [0,1,0,0,0,0|3,0,0]=4 4028 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000189650_100000211660 [0,1,0,0,0,0|2,0,0]=3 4029 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000748629_100000189650 [0,1,0,0,0,0|2,0,0]=3 4030 B10R0.97 C=C(C)CSCCNC(=O)N 62a_100000748629_200000034859 [0,1,0,0,0,0|3,0,0]=4 4031 B10R0.97 C=C(C)CSCCNC(=O)N 62a_200000034859_100000211660 [0,1,0,0,0,0|3,0,0]=4 4032 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,1,0,0,0,0|2,0,0]=3 4033 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,1,0,0,0,0|2,0,0]=3 4034 B10R0.97 C=C(C)CSCCOC(=O)N 62a_100000748629_200011214921 [0,1,0,0,0,0|3,0,0]=4 4035 B10R0.97 C=C(C)CSCCOC(=O)N 62a_200011214921_100000211660 [0,1,0,0,0,0|3,0,0]=4 4036 B10R0.97 C=C(F)CNCCCC(=O)N 34a_100000739312_100009893438 [0,1,0,0,0,0|2,0,0]=3 4037 B10R0.97 C=C(F)CNCCCC(C)C 2230a_200000737386_100009893438 [0,1,0,0,0,0|2,0,1]=4 4038 B10R0.97 C=C(F)CNCCCC(C)C 34a_200000737386_100009893438 [0,1,0,0,0,0|2,0,1]=4 4039 B10R0.97 C=C(F)CNCCCS(=O)C 2230a_200000753449_100009893438 [0,1,0,0,0,0|2,0,0]=3 4040 B10R0.97 C=C(F)CNCCNC(=O)C 2230a_100000209853_100009893438 [0,1,0,0,0,0|2,0,0]=3 4041 B10R0.97 C=C(F)CNCCNC(=O)N 34a_100020590234_100009893438 [0,1,0,0,0,0|3,0,0]=4 4042 B10R0.97 C=C(F)COCCC=C(C)C 34a_200010262243_100011217483 [0,1,0,0,0,0|2,0,1]=4 4043 B10R0.97 C=C(F)COCCCC(=O)C 34a_100000759063_100009893438 [0,1,0,0,0,0|1,0,0]=2 4044 B10R0.97 C=C(F)COCCCC(=O)C 34a_200010262243_100000685027 [0,1,0,0,0,0|1,0,0]=2 4045 B10R0.97 C=C(F)COCCCC(=O)C 7a_100000759063_100000042424 [0,1,0,0,0,0|1,0,0]=2 4046 B10R0.97 C=C(F)COCCCC(=O)N 34a_200010262243_100102525003 [0,1,0,0,0,0|2,0,0]=3 4047 B10R0.97 C=C(F)COCCCC(C)C 34a_100000210774_100009893438 [0,1,0,0,0,0|2,0,1]=4 4048 B10R0.97 C=C(F)COCCCC(C)C 34a_200010262243_100011214892 [0,1,0,0,0,0|2,0,1]=4 4049 B10R0.97 C=C(F)COCCCC(C)C 7a_100000210774_100000042424 [0,1,0,0,0,0|2,0,1]=4 4050 B10R0.97 C=C(F)COCCCC(C)O 34a_200010262243_200000718107 [0,1,0,0,0,0|1,0,2]=4 4051 B10R0.97 C=C(F)COCCC[N+](=O)[O-] 34a_200000037920_100009893438 [0,1,0,0,0,0|3,0,0]=4 4052 B10R0.97 C=C(F)COCCNC(=O)C 34a_100000158858_100009893438 [0,1,0,0,0,0|2,0,0]=3 4053 B10R0.97 C=C(F)COCCNC(=O)N 34a_100000181757_100009893438 [0,1,0,0,0,0|3,0,0]=4 4054 B10R0.97 C=C(F)COCCOC(=O)C 34a_200010262243_100009814007 [0,1,0,0,0,0|2,0,0]=3 4055 B10R0.97 C=C(F)COCCOC(=O)N 34a_200010262243_200011214921 [0,1,0,0,0,0|3,0,0]=4 4056 B10R0.97 C=C(F)COCCOC(=O)N 7a_100000766696_100000042424 [0,1,0,0,0,0|3,0,0]=4 4057 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100000042424_100011217483 [0,1,0,0,0,0|2,0,1]=4 4058 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100011217483_100000042424 [0,1,0,0,0,0|2,0,1]=4 4059 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100000042424_100011215641 [0,1,0,0,0,0|1,0,0]=2 4060 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100011215641_100000042424 [0,1,0,0,0,0|1,0,0]=2 4061 B10R0.97 C=C(F)CSCCCC(=O)N 62a_100000042424_100102525003 [0,1,0,0,0,0|2,0,0]=3 4062 B10R0.97 C=C(F)CSCCCC(=O)N 62a_100102525003_100000042424 [0,1,0,0,0,0|2,0,0]=3 4063 B10R0.97 C=C(F)CSCCCC(C)C 62a_100000042424_100011214892 [0,1,0,0,0,0|2,0,1]=4 4064 B10R0.97 C=C(F)CSCCCC(C)C 62a_100011214892_100000042424 [0,1,0,0,0,0|2,0,1]=4 4065 B10R0.97 C=C(F)CSCCCC(C)O 62a_100000042424_200000718107 [0,1,0,0,0,0|1,0,2]=4 4066 B10R0.97 C=C(F)CSCCCC(C)O 62a_200000718107_100000042424 [0,1,0,0,0,0|1,0,2]=4 4067 B10R0.97 C=C(F)CSCCCN(C)C 62a_100000042424_100000757444 [0,1,0,0,0,0|3,0,0]=4 4068 B10R0.97 C=C(F)CSCCNC(=O)C 62a_100000042424_100000189650 [0,1,0,0,0,0|2,0,0]=3 4069 B10R0.97 C=C(F)CSCCNC(=O)C 62a_100000189650_100000042424 [0,1,0,0,0,0|2,0,0]=3 4070 B10R0.97 C=C(F)CSCCNC(=O)N 62a_100000042424_200000034859 [0,1,0,0,0,0|3,0,0]=4 4071 B10R0.97 C=C(F)CSCCNC(=O)N 62a_200000034859_100000042424 [0,1,0,0,0,0|3,0,0]=4 4072 B10R0.97 C=C(F)CSCCOC(=O)C 62a_100000042424_100009814007 [0,1,0,0,0,0|2,0,0]=3 4073 B10R0.97 C=C(F)CSCCOC(=O)C 62a_100009814007_100000042424 [0,1,0,0,0,0|2,0,0]=3 4074 B10R0.97 C=C(F)CSCCOC(=O)N 62a_100000042424_200011214921 [0,1,0,0,0,0|3,0,0]=4 4075 B10R0.97 C=C(F)CSCCOC(=O)N 62a_200011214921_100000042424 [0,1,0,0,0,0|3,0,0]=4 4076 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,1,0,0,0,0|2,0,0]=3 4077 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,1,0,0,0,0|1,0,0]=2 4078 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,0,0,0,0|0,0,2]=3 4079 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,0,0,0,0|0,0,2]=3 4080 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,1,0,0,0,0|2,0,0]=3 4081 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,1,0,0,0,0|1,0,2]=4 4082 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,1,0,0,0,0|1,0,1]=3 4083 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,1,0,0,0,0|1,0,2]=4 4084 B10R0.97 CC(=O)CCCCO[N+](=O)[O-] 1458a_100000070787_100015694321 [0,1,0,0,0,0|3,0,0]=4 4085 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,1,0,0,0,0|1,0,1]=3 4086 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,1,0,0,0,0|1,0,2]=4 4087 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,1,0,0,0,0|1,0,2]=4 4088 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,1,0,0,0,0|2,0,0]=3 4089 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,1,0,0,0,0|1,0,2]=4 4090 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,1,0,0,0,0|1,0,2]=4 4091 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [0,1,0,0,0,0|2,0,1]=4 4092 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,1,0,0,0,0|1,0,1]=3 4093 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,1,0,0,0,0|2,0,0]=3 4094 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,1,0,0,0,0|2,0,0]=3 4095 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,1,0,0,0,0|2,0,0]=3 4096 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,1,0,0,0,0|1,0,2]=4 4097 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,1,0,0,0,0|1,0,2]=4 4098 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,1,0,0,0,0|1,0,2]=4 4099 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,1,0,0,0,0|1,0,2]=4 4100 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,1,0,0,0,0|1,0,2]=4 4101 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,1,0,0,0,0|1,0,2]=4 4102 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,1,0,0,0,0|1,0,2]=4 4103 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [0,1,0,0,0,0|2,0,1]=4 4104 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [0,1,0,0,0,0|2,0,1]=4 4105 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [0,1,0,0,0,0|2,0,1]=4 4106 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,1,0,0,0,0|1,0,2]=4 4107 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,1,0,0,0,0|1,0,2]=4 4108 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,1,0,0,0,0|1,0,2]=4 4109 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,1,0,0,0,0|1,0,2]=4 4110 B10R0.97 CC(=O)CCCOC[N+](=O)[O-] 34a_100000759063_100000761209 [0,1,0,0,0,0|3,0,0]=4 4111 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,1,0,0,0,0|2,0,0]=3 4112 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,1,0,0,0,0|2,0,0]=3 4113 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,1,0,0,0,0|2,0,0]=3 4114 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,1,0,0,0,0|2,0,0]=3 4115 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,1,0,0,0,0|1,0,2]=4 4116 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,1,0,0,0,0|1,0,2]=4 4117 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,1,0,0,0,0|1,0,2]=4 4118 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,1,0,0,0,0|1,0,2]=4 4119 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [0,1,0,0,0,0|2,0,1]=4 4120 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [0,1,0,0,0,0|2,0,1]=4 4121 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,1,0,0,0,0|1,0,2]=4 4122 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,1,0,0,0,0|1,0,2]=4 4123 B10R0.97 CC(=O)CCCSC[N+](=O)[O-] 62a_100011215641_100000761209 [0,1,0,0,0,0|3,0,0]=4 4124 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,1,0,0,0,0|3,0,0]=4 4125 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,1,0,0,0,0|1,0,2]=4 4126 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,1,0,0,0,0|1,0,2]=4 4127 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,1,0,0,0,0|1,0,1]=3 4128 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,1,0,0,0,0|2,0,0]=3 4129 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,1,0,0,0,0|2,0,0]=3 4130 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,1,0,0,0,0|2,0,0]=3 4131 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,1,0,0,0,0|1,0,2]=4 4132 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,1,0,0,0,0|1,0,2]=4 4133 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,1,0,0,0,0|1,0,2]=4 4134 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,1,0,0,0,0|1,0,2]=4 4135 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,1,0,0,0,0|1,0,2]=4 4136 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,1,0,0,0,0|2,0,1]=4 4137 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,1,0,0,0,0|2,0,1]=4 4138 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,1,0,0,0,0|1,0,2]=4 4139 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,1,0,0,0,0|1,0,2]=4 4140 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,1,0,0,0,0|1,0,1]=3 4141 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,1,0,0,0,0|2,0,0]=3 4142 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,1,0,0,0,0|2,0,0]=3 4143 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,1,0,0,0,0|1,0,2]=4 4144 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,1,0,0,0,0|1,0,2]=4 4145 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,1,0,0,0,0|1,0,2]=4 4146 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,1,0,0,0,0|1,0,2]=4 4147 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,1,0,0,0,0|2,0,1]=4 4148 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,1,0,0,0,0|2,0,1]=4 4149 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,1,0,0,0,0|2,0,1]=4 4150 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,1,0,0,0,0|1,0,2]=4 4151 B10R0.97 CC(=O)COCCC=C(F)F 34a_100000211253_200009816681 [0,1,0,0,0,0|2,0,1]=4 4152 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,1,0,0,0,0|2,0,0]=3 4153 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,1,0,0,0,0|1,0,2]=4 4154 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,1,0,0,0,0|1,0,2]=4 4155 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,1,0,0,0,0|2,0,1]=4 4156 B10R0.97 CC(=O)COCCOC(=O)N 34a_100000211253_200011214921 [0,1,0,0,0,0|3,0,0]=4 4157 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,1,0,0,0,0|2,0,0]=3 4158 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,1,0,0,0,0|2,0,0]=3 4159 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,1,0,0,0,0|2,0,0]=3 4160 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,1,0,0,0,0|2,0,0]=3 4161 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,1,0,0,0,0|2,0,1]=4 4162 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [0,1,0,0,0,0|2,0,1]=4 4163 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [0,1,0,0,0,0|2,0,1]=4 4164 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [0,1,0,0,0,0|2,0,1]=4 4165 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [0,1,0,0,0,0|3,0,0]=4 4166 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [0,1,0,0,0,0|3,0,0]=4 4167 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,1,0,0,0,0|3,0,0]=4 4168 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [0,1,0,0,0,0|3,0,0]=4 4169 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [0,1,0,0,0,0|3,0,0]=4 4170 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [0,1,0,0,0,0|3,0,0]=4 4171 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [0,1,0,0,0,0|3,0,0]=4 4172 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [0,1,0,0,0,0|3,0,0]=4 4173 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [0,1,0,0,0,0|3,0,0]=4 4174 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,1,0,0,0,0|2,0,1]=4 4175 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,1,0,0,0,0|3,0,0]=4 4176 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100000747473_100009814007 [0,1,0,0,0,0|3,0,0]=4 4177 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100009814007_100000747473 [0,1,0,0,0,0|3,0,0]=4 4178 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100009814007_100020667443 [0,1,0,0,0,0|3,0,0]=4 4179 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009814007 [0,1,0,0,0,0|3,0,0]=4 4180 B10R0.97 CC(=O)OCOCCC(=O)N 34a_100000757172_100009813279 [0,1,0,0,0,0|3,0,0]=4 4181 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [0,1,0,0,0,0|3,0,0]=4 4182 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [0,1,0,0,0,0|3,0,0]=4 4183 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,1,0,0,0,0|2,0,1]=4 4184 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,1,0,0,0,0|2,0,1]=4 4185 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,0,0,0,0|0,0,2]=3 4186 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,1,0,0,0,0|2,0,1]=4 4187 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,1,0,0,0,0|2,0,1]=4 4188 B10R0.97 CS(=O)CCCNCC(=O)N 2230a_200000753449_100000747473 [0,1,0,0,0,0|3,0,0]=4 4189 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [0,1,0,0,0,0|3,0,0]=4 4190 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,1,0,0,0,0|3,0,0]=4 4191 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [0,1,0,0,0,0|3,0,0]=4 4192 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [0,1,0,0,0,0|3,0,0]=4 4193 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [0,1,0,0,0,0|3,0,0]=4 4194 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [0,1,0,0,0,0|3,0,0]=4 4195 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [0,1,0,0,0,0|3,0,0]=4 4196 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [0,1,0,0,0,0|3,0,0]=4 4197 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [0,1,0,0,0,0|3,0,0]=4 4198 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [0,1,0,0,0,0|3,0,0]=4 4199 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,1,0,0,0,0|2,0,0]=3 4200 B10R1.10 C=CCN1CCC=C(C1)C 2230a_100000725631_100000210623 [0,0,0,1,0,0|2,0,1]=4 4201 B10R1.10 C=CCN1CCC=C(C1)C 269982a_100000725631_100000210623 [0,0,0,1,0,0|2,0,1]=4 4202 B10R1.10 C=CCN1CCC=C(C1)C 34a_100000725631_100015514636 [0,0,0,1,0,0|2,0,1]=4 4203 B10R1.10 C=CCN1CCCC(C1)F 2230a_100000697950_100000210623 [0,0,0,1,0,0|2,0,1]=4 4204 B10R1.10 C=CCN1CCCC(C1)F 269982a_100000697950_100000210623 [0,0,0,1,0,0|2,0,1]=4 4205 B10R1.10 C=CCN1CCCC(C1)F 34a_100000697950_100015514636 [0,0,0,1,0,0|2,0,1]=4 4206 B10R1.10 C=CCN1CCCC(C1)O 2230a_100000211013_100000210623 [0,0,0,1,0,0|1,0,2]=4 4207 B10R1.10 C=CCN1CCCC(C1)O 269982a_100000211013_100000210623 [0,0,0,1,0,0|1,0,2]=4 4208 B10R1.10 C=CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210623 [0,0,0,1,0,0|2,0,1]=4 4209 B10R1.10 C=CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210623 [0,0,0,1,0,0|2,0,1]=4 4210 B10R1.10 C=CCN1CCC[C@@H](C1)C 34a_100000717927_100015514636 [0,0,0,1,0,0|2,0,1]=4 4211 B10R1.10 C=CCN1CCNC(=O)C1 2230a_100000184651_100000210623 [0,0,0,1,0,0|2,0,0]=3 4212 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [0,0,0,1,0,0|2,0,0]=3 4213 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,1,0,0|1,0,2]=4 4214 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,0,0,1,0,0|2,0,1]=4 4215 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,0,0,1,0,0|2,0,1]=4 4216 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,0,0,1,0,0|2,0,1]=4 4217 B10R1.10 O=CCN1CCNC(=O)C1 2230a_100000184651_200015260668 [0,0,0,1,0,0|3,0,0]=4 4218 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [0,0,0,1,0,0|3,0,0]=4 4219 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,0,0,1,0,0|2,0,1]=4 4220 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,0,0,1,0,0|2,0,1]=4 4221 B10R1.16 C#CCOC1CCC(=O)C1 34a_100012614533_100000184674 [0,0,0,1,0,0|1,0,2]=4 4222 B10R1.16 C=CCCN1CCC(C1)O 2230a_100011215560_100000754431 [0,0,0,1,0,0|1,0,2]=4 4223 B10R1.16 C=CCCN1CCC(C1)O 269982a_100011215560_100000754431 [0,0,0,1,0,0|1,0,2]=4 4224 B10R1.16 C=CCCN1CC[C@@H](C1)F 2230a_100015203821_100000754431 [0,0,0,1,0,0|2,0,1]=4 4225 B10R1.16 C=CCCN1CC[C@@H](C1)F 269982a_100015203821_100000754431 [0,0,0,1,0,0|2,0,1]=4 4226 B10R1.16 C=CCCN1CC[C@@H](C1)F 34a_100015203821_100000754431 [0,0,0,1,0,0|2,0,1]=4 4227 B10R1.16 C=CCCN1CC[C@H](C1)C 2230a_100016987628_100000754431 [0,0,0,1,0,0|2,0,1]=4 4228 B10R1.16 C=CCCN1CC[C@H](C1)C 269982a_100016987628_100000754431 [0,0,0,1,0,0|2,0,1]=4 4229 B10R1.16 C=CCCN1CC[C@H](C1)C 34a_100016987628_100000754431 [0,0,0,1,0,0|2,0,1]=4 4230 B10R1.16 C=CCCN1CNC(=O)C1 2230a_200000708111_100000754431 [0,0,0,1,0,0|2,0,0]=3 4231 B10R1.16 C=CCNC1CCC(C1)C 270004a_100020586998_100011215218 [0,0,0,1,0,0|2,0,1]=4 4232 B10R1.16 C=CCNC1CCC(C1)O 270004a_100020586998_100012614533 [0,0,0,1,0,0|1,0,2]=4 4233 B10R1.16 C=CCNC1CNC(=O)C1 2230a_100000697751_100000210623 [0,0,0,1,0,0|2,0,0]=3 4234 B10R1.16 C=CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210623 [0,0,0,1,0,0|1,0,2]=4 4235 B10R1.16 C=CCOC1CCC(=O)C1 34a_100012614533_100015514636 [0,0,0,1,0,0|1,0,0]=2 4236 B10R1.16 C=CCOC1CCC(C1)C 34a_100000698185_100015514636 [0,0,0,1,0,0|2,0,1]=4 4237 B10R1.16 C=CCOC1CNC(=O)C1 34a_100000690082_100015514636 [0,0,0,1,0,0|2,0,0]=3 4238 B10R1.16 C=CCOC1COC(=O)O1 34a_200000210373_100000032252 [0,0,0,1,0,0|3,0,0]=4 4239 B10R1.16 C=CCSC1CCN(C1)C 62a_100000210623_200012183744 [0,0,0,1,0,0|3,0,0]=4 4240 B10R1.16 C=CCSC1COC(=O)O1 62a_100000210623_100000032252 [0,0,0,1,0,0|3,0,0]=4 4241 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,0,0,1,0,0|1,0,2]=4 4242 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,0,0,1,0,0|2,0,1]=4 4243 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,0,0,1,0,0|2,0,1]=4 4244 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,0,0,1,0,0|2,0,1]=4 4245 B10R1.16 O=CCNC1CNC(=O)C1 2230a_100000697751_200015260668 [0,0,0,1,0,0|3,0,0]=4 4246 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,0,0,1,0,0|2,0,0]=3 4247 B10R1.16 O=CCOC1CNC(=O)C1 34a_100000690082_200009817547 [0,0,0,1,0,0|3,0,0]=4 4248 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,1,0,0|0,0,2]=3 4249 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,0|0,0,2]=3 4250 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,0|0,0,2]=3 4251 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,1,0,0|1,0,1]=3 4252 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,1,0,0|1,0,1]=3 4253 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,1,0,0|1,0,1]=3 4254 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,1,0,0|1,0,1]=3 4255 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,1,0,0|1,0,2]=4 4256 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,1,0,0|1,0,2]=4 4257 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,1,0,0|1,0,2]=4 4258 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 4259 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 4260 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 4261 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,0|1,0,2]=4 4262 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 4263 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 4264 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 4265 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,1,0,0|2,0,1]=4 4266 B10R1.18 CC(C)NC1C=CCCC1 2230a_100138425928_100000751183 [0,0,0,1,0,0|2,0,1]=4 4267 B10R1.18 CC(C)OC1C=CCCC1 34a_100011215024_100000210206 [0,0,0,1,0,0|2,0,1]=4 4268 B10R1.18 CC(C)SC1C=CCCC1 62a_100000210206_100000751183 [0,0,0,1,0,0|2,0,1]=4 4269 B10R1.18 CC(C)SC1C=CCCC1 62a_100000751183_100000210206 [0,0,0,1,0,0|2,0,1]=4 4270 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,1,0,0|0,0,2]=3 4271 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,0|0,0,2]=3 4272 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,1,0,0|1,0,1]=3 4273 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,1,0,0|1,0,1]=3 4274 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,1,0,0|1,0,2]=4 4275 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,1,0,0|1,0,2]=4 4276 B10R1.24 C#CCCSC1CC(=O)C1 62a_100009894365_100000688953 [0,0,0,1,0,0|1,0,2]=4 4277 B10R1.24 C#CCOCC1CC(=O)C1 34a_100000101936_100000184674 [0,0,0,1,0,0|1,0,2]=4 4278 B10R1.24 C#CCSCC1CC(=O)C1 62a_100000038162_100009874392 [0,0,0,1,0,0|1,0,2]=4 4279 B10R1.24 C/C=C/CSC1CC(=O)C1 62a_100009894365_100102629194 [0,0,0,1,0,0|1,0,2]=4 4280 B10R1.24 C=C1CC(C1)CNCC=O 2230a_100102567296_200015260668 [0,0,0,1,0,0|3,0,0]=4 4281 B10R1.24 C=C1CC(C1)CNCC=O 34a_100102567296_200009817547 [0,0,0,1,0,0|3,0,0]=4 4282 B10R1.24 C=C1CC(C1)COCC=O 34a_100011011225_200009817547 [0,0,0,1,0,0|3,0,0]=4 4283 B10R1.24 C=CCCCN1CC(C1)C 2230a_100000702820_100011713584 [0,0,0,1,0,0|2,0,1]=4 4284 B10R1.24 C=CCCCN1CC(C1)C 269982a_100000702820_100000757094 [0,0,0,1,0,0|2,0,1]=4 4285 B10R1.24 C=CCCCN1CC(C1)C 34a_100000702820_100000757094 [0,0,0,1,0,0|2,0,1]=4 4286 B10R1.24 C=CCCCN1CC(C1)F 2230a_100000690557_100011713584 [0,0,0,1,0,0|2,0,1]=4 4287 B10R1.24 C=CCCCN1CC(C1)F 269982a_100000690557_100000757094 [0,0,0,1,0,0|2,0,1]=4 4288 B10R1.24 C=CCCCN1CC(C1)F 34a_100000690557_100000757094 [0,0,0,1,0,0|2,0,1]=4 4289 B10R1.24 C=CCCCN1CC(C1)O 269982a_100000749847_100000757094 [0,0,0,1,0,0|1,0,2]=4 4290 B10R1.24 C=CCCNC1CC(=C)C1 2230a_100132301982_100000754431 [0,0,0,1,0,0|2,0,0]=3 4291 B10R1.24 C=CCCNC1CC(C1)F 2230a_100016993743_100000754431 [0,0,0,1,0,0|2,0,1]=4 4292 B10R1.24 C=CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000754431 [0,0,0,1,0,0|1,0,2]=4 4293 B10R1.24 C=CCCSC1CC(=O)C1 62a_100009894365_100000754431 [0,0,0,1,0,0|1,0,0]=2 4294 B10R1.24 C=CCNCC1CC(=C)C1 2230a_100102567296_100000210623 [0,0,0,1,0,0|2,0,0]=3 4295 B10R1.24 C=CCNCC1CC(=C)C1 34a_100102567296_100015514636 [0,0,0,1,0,0|2,0,0]=3 4296 B10R1.24 C=CCNCC1CC(=O)C1 2230a_100020586998_100009874392 [0,0,0,1,0,0|1,0,0]=2 4297 B10R1.24 C=CCNCC1CC(C1)O 2230a_100016992100_100000210623 [0,0,0,1,0,0|1,0,2]=4 4298 B10R1.24 C=CCOCC1CC(=C)C1 34a_100011011225_100015514636 [0,0,0,1,0,0|2,0,0]=3 4299 B10R1.24 C=CCOCC1CC(=O)C1 34a_100000101936_100015514636 [0,0,0,1,0,0|1,0,0]=2 4300 B10R1.24 C=CCOCC1CC(C1)Cl 34a_100009874164_100015514636 [0,0,0,1,0,0|2,0,1]=4 4301 B10R1.24 C=CCSCC1CC(=O)C1 62a_100000210623_100009874392 [0,0,0,1,0,0|1,0,0]=2 4302 B10R1.24 C=CCSCC1CC(=O)C1 62a_100009874392_100000210623 [0,0,0,1,0,0|1,0,0]=2 4303 B10R1.24 CC=CCSC1CC(=O)C1 62a_100009894365_100000070051 [0,0,0,1,0,0|1,0,2]=4 4304 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,0,0,1,0,0|1,0,2]=4 4305 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,0,0,1,0,0|1,0,2]=4 4306 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,0,0,1,0,0|1,0,2]=4 4307 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,0,0,1,0,0|1,0,2]=4 4308 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [0,0,0,1,0,0|2,0,1]=4 4309 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [0,0,0,1,0,0|2,0,1]=4 4310 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [0,0,0,1,0,0|2,0,1]=4 4311 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [0,0,0,1,0,0|2,0,1]=4 4312 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [0,0,0,1,0,0|2,0,1]=4 4313 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [0,0,0,1,0,0|2,0,1]=4 4314 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [0,0,0,1,0,0|2,0,1]=4 4315 B10R1.24 N#CCCSC1CC(=O)C1 62a_100009894365_100011215226 [0,0,0,1,0,0|2,0,1]=4 4316 B10R1.24 N#CCSCC1CC(=O)C1 62a_100009874392_100011215382 [0,0,0,1,0,0|2,0,1]=4 4317 B10R1.24 N#CCSCC1CC(=O)C1 62a_100011215382_100009874392 [0,0,0,1,0,0|2,0,1]=4 4318 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,0,0,1,0,0|2,0,1]=4 4319 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [0,0,0,1,0,0|2,0,1]=4 4320 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,0,0,1,0,0|2,0,1]=4 4321 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [0,0,0,1,0,0|2,0,1]=4 4322 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [0,0,0,1,0,0|2,0,1]=4 4323 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,0,0,1,0,0|2,0,1]=4 4324 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,0,0,1,0,0|2,0,1]=4 4325 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [0,0,0,1,0,0|2,0,1]=4 4326 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,0,0,1,0,0|2,0,1]=4 4327 B10R1.24 O=CCOCC1CC(=O)C1 34a_100000101936_200009817547 [0,0,0,1,0,0|2,0,0]=3 4328 B10R1.24 O=CCSCC1CC(=O)C1 62a_100009874392_200015260668 [0,0,0,1,0,0|2,0,0]=3 4329 B10R1.24 O=CCSCC1CC(=O)C1 62a_200015260668_100009874392 [0,0,0,1,0,0|2,0,0]=3 4330 B10R1.39 CC(=O)N1CCCC1C#N 11a_100000701862_100015343762 [0,0,0,1,0,0|2,0,1]=4 4331 B10R1.39 CC(=O)N1CCCC1C#N 1626a_100000701862_100015343762 [0,0,0,1,0,0|2,0,1]=4 4332 B10R1.39 CC(=O)N1CCCC1C#N 240690a_100000701862_100015343762 [0,0,0,1,0,0|2,0,1]=4 4333 B10R1.39 CC(=O)N1CCCC1C#N 527a_100000701862_100103153847 [0,0,0,1,0,0|2,0,1]=4 4334 B10R1.39 CC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100015343762 [0,0,0,1,0,0|2,0,1]=4 4335 B10R1.39 CC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100103153847 [0,0,0,1,0,0|2,0,1]=4 4336 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,0,0,1,0,0|2,0,1]=4 4337 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,0,0,1,0,0|2,0,1]=4 4338 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 4339 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 4340 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 4341 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,0,1,0,0|1,0,2]=4 4342 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,0,1,0,0|1,0,2]=4 4343 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,0,1,0,0|1,0,2]=4 4344 B10R1.56 C=CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011713584 [0,0,0,1,0,0|2,0,1]=4 4345 B10R1.56 C=CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011713584 [0,0,0,1,0,0|2,0,1]=4 4346 B10R1.56 C=CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000757094 [0,0,0,1,0,0|2,0,1]=4 4347 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [0,0,0,1,0,0|2,0,1]=4 4348 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [0,0,0,1,0,0|2,0,1]=4 4349 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,0,1,0,0|1,0,0]=2 4350 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,0|0,0,2]=3 4351 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,0,1,0,0|1,0,1]=3 4352 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,0,0,1,0,0|2,0,0]=3 4353 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,0,0,1,0,0|2,0,0]=3 4354 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,0,0,1,0,0|2,0,0]=3 4355 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 4356 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 4357 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 4358 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,0|1,0,2]=4 4359 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,0,1,0,0|1,0,1]=3 4360 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,0|0,0,2]=3 4361 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,0,0,1,0,0|3,0,0]=4 4362 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,0,0,1,0,0|2,0,1]=4 4363 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,0,0,1,0,0|2,0,1]=4 4364 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,0,0,1,0,0|2,0,1]=4 4365 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,0,1,0,0|2,0,1]=4 4366 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,0,1,0,0|1,0,1]=3 4367 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,0,1,0,0|1,0,1]=3 4368 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,0,0,1,0,0|2,0,0]=3 4369 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,0,0,1,0,0|2,0,1]=4 4370 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,0,0,1,0,0|2,0,1]=4 4371 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,0,0,1,0,0|2,0,1]=4 4372 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,0,1,0,0|2,0,1]=4 4373 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,0,0,1,0,0|2,0,0]=3 4374 B10R1.64 CC(=O)CN1CCN=C1N 1458a_100000032790_200000210301 [0,0,0,1,0,0|3,0,0]=4 4375 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,0|3,0,0]=4 4376 B10R1.64 CC(=O)CN1CSCC1=O 1458a_100000008433_200000210301 [0,0,0,1,0,0|3,0,0]=4 4377 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,0,0,1,0,0|3,0,0]=4 4378 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,0,0,1,0,0|3,0,0]=4 4379 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,0,0,1,0,0|3,0,0]=4 4380 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,0,0,1,0,0|3,0,0]=4 4381 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,0,0,1,0,0|3,0,0]=4 4382 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,0,0,1,0,0|3,0,0]=4 4383 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,0,0,1,0,0|3,0,0]=4 4384 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,0,0,1,0,0|3,0,0]=4 4385 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,0,0,1,0,0|2,0,1]=4 4386 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,0,0,1,0,0|2,0,1]=4 4387 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,0,0,1,0,0|2,0,0]=3 4388 B10R1.64 [13CH3]C(=O)CN1CCN=C1N 1458a_100000032790_200025704644 [0,0,0,1,0,0|3,0,0]=4 4389 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,0|3,0,0]=4 4390 B10R1.64 [13CH3]C(=O)CN1CSCC1=O 1458a_100000008433_200025704644 [0,0,0,1,0,0|3,0,0]=4 4391 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,1,0,0|0,0,2]=3 4392 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,1,0,0|0,0,2]=3 4393 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,1,0,0|1,0,1]=3 4394 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,1,0,0|2,0,1]=4 4395 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,1,0,0|2,0,1]=4 4396 B10R1.66 CC(=O)CCN1CC=CC1 269982a_100015195280_100000053229 [0,0,0,1,0,0|1,0,2]=4 4397 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,0,0,1,0,0|1,0,2]=4 4398 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,0,0,1,0,0|1,0,2]=4 4399 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,0,0,1,0,0|1,0,2]=4 4400 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,1,0,0|2,0,1]=4 4401 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [0,0,0,1,0,0|2,0,1]=4 4402 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,1,0,0|1,0,2]=4 4403 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,1,0,0|1,0,2]=4 4404 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,1,0,0|1,0,2]=4 4405 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,1,0,0|1,0,2]=4 4406 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,1,0,0|1,0,2]=4 4407 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,1,0,0|1,0,2]=4 4408 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,1,0,0|1,0,2]=4 4409 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,1,0,0|1,0,2]=4 4410 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,1,0,0|2,0,1]=4 4411 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,1,0,0|2,0,1]=4 4412 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [0,0,0,1,0,0|2,0,1]=4 4413 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [0,0,0,1,0,0|2,0,1]=4 4414 B10R1.66 CC(=O)CCn1ccnn1 1458a_100000741450_200000210301 [0,0,0,1,0,0|3,0,0]=4 4415 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,1,0,0|1,0,2]=4 4416 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,1,0,0|1,0,2]=4 4417 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,0,0,1,0,0|2,0,1]=4 4418 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 4419 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 4420 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 4421 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,1,0,0|1,0,2]=4 4422 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,0,0,1,0,0|2,0,1]=4 4423 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,0,0,1,0,0|2,0,1]=4 4424 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,0,0,1,0,0|2,0,1]=4 4425 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,0,0,1,0,0|2,0,1]=4 4426 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 4427 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 4428 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 4429 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,1,0,0|2,0,1]=4 4430 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,1,0,0|2,0,1]=4 4431 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,1,0,0|0,0,2]=3 4432 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,1,0,0|1,0,1]=3 4433 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,1,0,0|2,0,1]=4 4434 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,0,0,1,0,0|1,0,2]=4 4435 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,1,0,0|2,0,1]=4 4436 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,1,0,0|1,0,2]=4 4437 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,1,0,0|1,0,2]=4 4438 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,1,0,0|1,0,2]=4 4439 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,1,0,0|1,0,2]=4 4440 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,1,0,0|1,0,2]=4 4441 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,1,0,0|1,0,2]=4 4442 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,1,0,0|2,0,1]=4 4443 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [0,0,0,1,0,0|2,0,1]=4 4444 B10R1.66 [13CH3]C(=O)CCn1ccnn1 1458a_100000741450_200025704644 [0,0,0,1,0,0|3,0,0]=4 4445 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,1,0,0|1,0,2]=4 4446 B10R1.86 C=CCN1CCC1C(=O)O 269956a_100000021838_100000210623 [0,0,0,1,0,0|2,0,0]=3 4447 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,0,0,1,0,0|2,0,1]=4 4448 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,0,0,1,0,0|2,0,1]=4 4449 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,0,0,1,0,0|2,0,1]=4 4450 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,0,0,1,0,0|2,0,1]=4 4451 B10R1.86 O=CCN1CCC1C(=O)O 269956a_100000021838_200015260668 [0,0,0,1,0,0|3,0,0]=4 4452 B10R1.117 C=C(C)COC1CCC1=O 34a_100000210245_100009892977 [0,0,0,1,0,0|3,0,0]=4 4453 B10R1.117 C=C(C)CSC1CCC1=O 62a_100000748629_100009892977 [0,0,0,1,0,0|3,0,0]=4 4454 B10R1.117 C=C(C)CSC1CCC1=O 62a_100009892977_100000211660 [0,0,0,1,0,0|3,0,0]=4 4455 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,0|1,0,0]=2 4456 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,0,0,1,0,0|1,0,2]=4 4457 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,0,0,1,0,0|2,0,0]=3 4458 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,0,0,1,0,0|3,0,0]=4 4459 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,0,0,1,0,0|3,0,0]=4 4460 B10R1.117 NC(=O)CSC1CCC1=O 62a_100000747473_100009892977 [0,0,0,1,0,0|3,0,0]=4 4461 B10R1.117 NC(=O)CSC1CCC1=O 62a_100009892977_100000747473 [0,0,0,1,0,0|3,0,0]=4 4462 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,0|3,0,0]=4 4463 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100009892977_100020667443 [0,0,0,1,0,0|3,0,0]=4 4464 B10R1.117 O=C([O-])CSC1CCC1=O 62a_100020667443_100009892977 [0,0,0,1,0,0|3,0,0]=4 4465 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,0,1,0,0|1,0,2]=4 4466 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,0,1,0,0|1,0,2]=4 4467 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,0,1,0,0|1,0,2]=4 4468 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,0,0,1,0,0|1,0,2]=4 4469 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,0,0,1,0,0|1,0,2]=4 4470 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,0,0,1,0,0|2,0,1]=4 4471 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,0,0,1,0,0|2,0,1]=4 4472 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,0,0,1,0,0|2,0,1]=4 4473 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,0,0,1,0,0|2,0,1]=4 4474 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,0,0,1,0,0|1,0,2]=4 4475 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,0,0,1,0,0|1,0,2]=4 4476 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,0,0,1,0,0|2,0,1]=4 4477 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,0,0,1,0,0|2,0,1]=4 4478 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,0,0,1,0,0|2,0,1]=4 4479 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,0,0,1,0,0|2,0,1]=4 4480 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,0,0,1,0,0|2,0,1]=4 4481 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,0,0,1,0,0|2,0,1]=4 4482 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,0,0,1,0,0|1,0,2]=4 4483 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,0,0,1,0,0|2,0,1]=4 4484 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,0,1,0,0|1,0,2]=4 4485 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,0,0,1,0,0|1,0,2]=4 4486 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,0,0,1,0,0|2,0,1]=4 4487 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,0,0,1,0,0|2,0,1]=4 4488 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,0,0,1,0,0|2,0,1]=4 4489 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,0,0,1,0,0|1,0,2]=4 4490 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,0,0,1,0,0|2,0,1]=4 4491 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,0,0,1,0,0|1,0,2]=4 4492 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,0,0,1,0,0|2,0,1]=4 4493 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,0,0,1,0,0|2,0,1]=4 4494 B10R1.133 C=CCN1CCCC1(C)C 2230a_100000761399_100000210623 [0,0,0,1,0,0|2,0,1]=4 4495 B10R1.133 C=CCN1CCCC1(C)C 269982a_100000761399_100000210623 [0,0,0,1,0,0|2,0,1]=4 4496 B10R1.133 C=CCN1CCCC1(C)C 34a_100000761399_100015514636 [0,0,0,1,0,0|2,0,1]=4 4497 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [0,0,0,1,0,0|2,0,1]=4 4498 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [0,0,0,1,0,0|2,0,1]=4 4499 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,0,0,1,0,0|2,0,1]=4 4500 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [0,0,0,1,0,0|2,0,1]=4 4501 B10R1.177 C=CCCCNCC1CC1 2230a_100000700776_100000742324 [0,0,0,1,0,0|2,0,1]=4 4502 B10R1.177 C=CCCCNCC1CC1 2230a_100000735609_100011713584 [0,0,0,1,0,0|2,0,1]=4 4503 B10R1.177 C=CCCCNCC1CC1 269862a_100000700776_100000741477 [0,0,0,1,0,0|2,0,1]=4 4504 B10R1.177 C=CCCCNCC1CC1 34a_100000700776_100000742324 [0,0,0,1,0,0|2,0,1]=4 4505 B10R1.177 C=CCCCNCC1CC1 34a_100000735609_100000757094 [0,0,0,1,0,0|2,0,1]=4 4506 B10R1.177 C=CCCCNCC1CO1 2230a_100000700776_100011216344 [0,0,0,1,0,0|1,0,2]=4 4507 B10R1.177 C=CCCCNCC1CO1 34a_100000700776_102125554688 [0,0,0,1,0,0|1,0,2]=4 4508 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,0,0,1,0,0|2,0,1]=4 4509 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,0,0,1,0,0|2,0,1]=4 4510 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,0,0,1,0,0|2,0,1]=4 4511 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,0,0,1,0,0|1,0,2]=4 4512 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,0,0,1,0,0|1,0,2]=4 4513 B10R1.177 C=CCCCOCC1CS1 7a_100000758997_100000031435 [0,0,0,1,0,0|1,1,1]=4 4514 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,0,0,1,0,0|1,0,2]=4 4515 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,0,0,1,0,0|1,0,2]=4 4516 B10R1.177 C=CCCCSCC1CC1 62a_100000756562_100000757094 [0,0,0,1,0,0|2,0,1]=4 4517 B10R1.177 C=CCCCSCC1CC1 62a_100011713584_100000742324 [0,0,0,1,0,0|2,0,1]=4 4518 B10R1.177 C=CCCCSCC1CO1 62a_100011713584_102125554688 [0,0,0,1,0,0|1,0,2]=4 4519 B10R1.177 C=CCCCSCC1CO1 62a_102125554688_100000757094 [0,0,0,1,0,0|1,0,2]=4 4520 B10R1.177 C=CCCCSCC1CS1 62a_100000031435_100000757094 [0,0,0,1,0,0|1,1,1]=4 4521 B10R1.177 C=CCCCSCC1CS1 62a_100011713584_100000031435 [0,0,0,1,0,0|1,1,1]=4 4522 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100000745022_100000757094 [0,0,0,1,0,0|1,0,2]=4 4523 B10R1.177 C=CCCCSC[C@@H]1CO1 62a_100011713584_100000745022 [0,0,0,1,0,0|1,0,2]=4 4524 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [0,0,0,1,0,0|2,0,1]=4 4525 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [0,0,0,1,0,0|2,0,1]=4 4526 B10R1.177 C=CCCNCCC1CO1 2230a_100015191253_100000732470 [0,0,0,1,0,0|1,0,2]=4 4527 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [0,0,0,1,0,0|2,0,1]=4 4528 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [0,0,0,1,0,0|2,0,1]=4 4529 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [0,0,0,1,0,0|2,0,1]=4 4530 B10R1.177 C=CCCOCCC1CO1 34a_100011205117_100000732470 [0,0,0,1,0,0|1,0,2]=4 4531 B10R1.177 C=CCCOCC[C@@H]1CO1 34a_100009820653_100000754431 [0,0,0,1,0,0|1,0,2]=4 4532 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [0,0,0,1,0,0|2,0,1]=4 4533 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [0,0,0,1,0,0|2,0,1]=4 4534 B10R1.177 C=CCCSCCC1CO1 62a_100000732470_100000754431 [0,0,0,1,0,0|1,0,2]=4 4535 B10R1.177 C=CCCSCCC1CO1 62a_100000754431_100000732470 [0,0,0,1,0,0|1,0,2]=4 4536 B10R1.177 C=CCNCCCC1CO1 2230a_100020586998_100000733510 [0,0,0,1,0,0|1,0,2]=4 4537 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,0,0,1,0,0|1,0,2]=4 4538 B10R1.177 C=CCSCCCC1CO1 62a_100000210623_100000733510 [0,0,0,1,0,0|1,0,2]=4 4539 B10R1.177 C=CCSCCCC1CO1 62a_100000733510_100000210623 [0,0,0,1,0,0|1,0,2]=4 4540 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|0,0,2]=3 4541 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|0,0,2]=3 4542 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 4543 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 4544 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 4545 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|1,0,2]=4 4546 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|0,0,2]=3 4547 B10R1.375 C=CCOCC1CC1(C)C 34a_100000728257_100015514636 [0,0,0,1,0,0|2,0,1]=4 4548 B10R1.375 C=CCOCC1CC1(C)C 7a_100000728257_100015514636 [0,0,0,1,0,0|2,0,1]=4 4549 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|1,0,0]=3 4550 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|1,0,0]=3 4551 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|1,0,0]=3 4552 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|1,0,0]=3 4553 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|1,0,0]=3 4554 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|1,0,0]=3 4555 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|1,0,0]=3 4556 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|1,0,0]=3 4557 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|1,0,0]=3 4558 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|1,0,0]=3 4559 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|1,0,0]=3 4560 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|1,0,0]=3 4561 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|1,0,0]=3 4562 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|1,0,0]=3 4563 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|1,0,0]=3 4564 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|1,0,0]=3 4565 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|1,0,0]=3 4566 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|1,0,0]=3 4567 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|1,0,0]=3 4568 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [2,0,0,0,0,0|2,0,0]=4 4569 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|1,0,0]=3 4570 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|1,0,0]=3 4571 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|1,0,0]=3 4572 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [2,0,0,0,0,0|2,0,0]=4 4573 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [2,0,0,0,0,0|2,0,0]=4 4574 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|1,0,0]=3 4575 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|1,0,0]=3 4576 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [2,0,0,0,0,0|2,0,0]=4 4577 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [2,0,0,0,0,0|2,0,0]=4 4578 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [2,0,0,0,0,0|1,0,1]=4 4579 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [2,0,0,0,0,0|1,0,1]=4 4580 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [2,0,0,0,0,0|1,0,0]=3 4581 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|1,0,0]=3 4582 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [2,0,0,0,0,0|2,0,0]=4 4583 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [2,0,0,0,0,0|2,0,0]=4 4584 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [2,0,0,0,0,0|1,0,1]=4 4585 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [2,0,0,0,0,0|1,0,1]=4 4586 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [2,0,0,0,0,0|1,0,1]=4 4587 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [2,0,0,0,0,0|2,0,0]=4 4588 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [2,0,0,0,0,0|2,0,0]=4 4589 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [2,0,0,0,0,0|1,0,1]=4 4590 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [2,0,0,0,0,0|1,0,1]=4 4591 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [2,0,0,0,0,0|1,0,0]=3 4592 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [2,0,0,0,0,0|2,0,0]=4 4593 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|1,0,0]=3 4594 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|1,0,0]=3 4595 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [2,0,0,0,0,0|2,0,0]=4 4596 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [2,0,0,0,0,0|2,0,0]=4 4597 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [2,0,0,0,0,0|1,0,1]=4 4598 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [2,0,0,0,0,0|2,0,0]=4 4599 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [2,0,0,0,0,0|1,0,1]=4 4600 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [2,0,0,0,0,0|1,0,1]=4 4601 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [2,0,0,0,0,0|1,0,0]=3 4602 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [2,0,0,0,0,0|1,0,0]=3 4603 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|1,0,0]=3 4604 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|1,0,0]=3 4605 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [2,0,0,0,0,0|2,0,0]=4 4606 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [2,0,0,0,0,0|2,0,0]=4 4607 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [2,0,0,0,0,0|1,0,1]=4 4608 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [2,0,0,0,0,0|1,0,1]=4 4609 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [2,0,0,0,0,0|2,0,0]=4 4610 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [2,0,0,0,0,0|2,0,0]=4 4611 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [2,0,0,0,0,0|2,0,0]=4 4612 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [2,0,0,0,0,0|2,0,0]=4 4613 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [2,0,0,0,0,0|1,0,1]=4 4614 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|1,0,0]=3 4615 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|1,0,0]=3 4616 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|1,0,0]=3 4617 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [2,0,0,0,0,0|2,0,0]=4 4618 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [2,0,0,0,0,0|2,0,0]=4 4619 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [2,0,0,0,0,0|2,0,0]=4 4620 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [2,0,0,0,0,0|1,0,1]=4 4621 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [2,0,0,0,0,0|2,0,0]=4 4622 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [2,0,0,0,0,0|2,0,0]=4 4623 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [2,0,0,0,0,0|2,0,0]=4 4624 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [2,0,0,0,0,0|2,0,0]=4 4625 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [2,0,0,0,0,0|1,0,1]=4 4626 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [2,0,0,0,0,0|1,0,1]=4 4627 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [2,0,0,0,0,0|1,0,1]=4 4628 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [2,0,0,0,0,0|2,0,0]=4 4629 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|1,0,0]=3 4630 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|1,0,0]=3 4631 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|1,0,0]=3 4632 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [2,0,0,0,0,0|2,0,0]=4 4633 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [2,0,0,0,0,0|2,0,0]=4 4634 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [2,0,0,0,0,0|2,0,0]=4 4635 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [2,0,0,0,0,0|2,0,0]=4 4636 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [2,0,0,0,0,0|1,0,1]=4 4637 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [2,0,0,0,0,0|2,0,0]=4 4638 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [2,0,0,0,0,0|2,0,0]=4 4639 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [2,0,0,0,0,0|2,0,0]=4 4640 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [2,0,0,0,0,0|2,0,0]=4 4641 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [2,0,0,0,0,0|2,0,0]=4 4642 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [2,0,0,0,0,0|2,0,0]=4 4643 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [2,0,0,0,0,0|2,0,0]=4 4644 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [2,0,0,0,0,0|2,0,0]=4 4645 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [2,0,0,0,0,0|2,0,0]=4 4646 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [2,0,0,0,0,0|1,0,1]=4 4647 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [2,0,0,0,0,0|1,0,1]=4 4648 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [2,0,0,0,0,0|1,0,1]=4 4649 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [2,0,0,0,0,0|1,0,1]=4 4650 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|1,0,0]=3 4651 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|1,0,0]=3 4652 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [2,0,0,0,0,0|2,0,0]=4 4653 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [2,0,0,0,0,0|2,0,0]=4 4654 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [2,0,0,0,0,0|1,0,1]=4 4655 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [2,0,0,0,0,0|1,0,1]=4 4656 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [2,0,0,0,0,0|2,0,0]=4 4657 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [2,0,0,0,0,0|2,0,0]=4 4658 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [2,0,0,0,0,0|2,0,0]=4 4659 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [2,0,0,0,0,0|2,0,0]=4 4660 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [2,0,0,0,0,0|2,0,0]=4 4661 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [2,0,0,0,0,0|2,0,0]=4 4662 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [2,0,0,0,0,0|2,0,0]=4 4663 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [2,0,0,0,0,0|2,0,0]=4 4664 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [2,0,0,0,0,0|2,0,0]=4 4665 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [2,0,0,0,0,0|2,0,0]=4 4666 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [2,0,0,0,0,0|2,0,0]=4 4667 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [2,0,0,0,0,0|2,0,0]=4 4668 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [2,0,0,0,0,0|2,0,0]=4 4669 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [2,0,0,0,0,0|2,0,0]=4 4670 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [2,0,0,0,0,0|2,0,0]=4 4671 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,1]=4 4672 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 4673 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,1]=4 4674 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 4675 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,1]=4 4676 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 4677 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,1]=4 4678 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 4679 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 4680 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 4681 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,1]=4 4682 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,1]=4 4683 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,1]=4 4684 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,1]=4 4685 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,1]=4 4686 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,1]=4 4687 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,1]=4 4688 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,1]=4 4689 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,1]=4 4690 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,1]=4 4691 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,1]=4 4692 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,1]=4 4693 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,1]=4 4694 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 4695 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 4696 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 4697 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 4698 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 4699 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 4700 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 4701 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 4702 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|2,0,0]=4 4703 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 4704 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 4705 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 4706 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4707 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4708 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 4709 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 4710 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 4711 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 4712 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|2,0,0]=4 4713 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,1]=4 4714 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,1]=4 4715 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 4716 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 4717 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4718 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|2,0,0]=4 4719 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 4720 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 4721 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 4722 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 4723 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 4724 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 4725 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 4726 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 4727 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 4728 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 4729 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 4730 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 4731 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 4732 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 4733 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 4734 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 4735 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4736 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4737 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 4738 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 4739 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 4740 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,1]=4 4741 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,1]=4 4742 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 4743 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 4744 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4745 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|2,0,0]=4 4746 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [2,0,0,0,0,0|0,0,2]=4 4747 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [2,0,0,0,0,0|0,0,2]=4 4748 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [2,0,0,0,0,0|0,0,2]=4 4749 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [2,0,0,0,0,0|2,0,0]=4 4750 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|2,0,0]=4 4751 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|2,0,0]=4 4752 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [2,0,0,0,0,0|2,0,0]=4 4753 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [2,0,0,0,0,0|2,0,0]=4 4754 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [2,0,0,0,0,0|2,0,0]=4 4755 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [2,0,0,0,0,0|2,0,0]=4 4756 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [2,0,0,0,0,0|2,0,0]=4 4757 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [2,0,0,0,0,0|2,0,0]=4 4758 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|0,0,0]=2 4759 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|0,0,0]=2 4760 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|0,0,0]=2 4761 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [2,0,0,0,0,0|2,0,0]=4 4762 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [2,0,0,0,0,0|2,0,0]=4 4763 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 4764 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 4765 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [2,0,0,0,0,0|1,0,0]=3 4766 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [2,0,0,0,0,0|1,0,0]=3 4767 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [2,0,0,0,0,0|2,0,0]=4 4768 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [2,0,0,0,0,0|2,0,0]=4 4769 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [2,0,0,0,0,0|2,0,0]=4 4770 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|2,0,0]=4 4771 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [2,0,0,0,0,0|2,0,0]=4 4772 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [2,0,0,0,0,0|2,0,0]=4 4773 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [2,0,0,0,0,0|2,0,0]=4 4774 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [2,0,0,0,0,0|1,0,0]=3 4775 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [2,0,0,0,0,0|2,0,0]=4 4776 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [2,0,0,0,0,0|2,0,0]=4 4777 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [2,0,0,0,0,0|2,0,0]=4 4778 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [2,0,0,0,0,0|2,0,0]=4 4779 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [2,0,0,0,0,0|1,0,0]=3 4780 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [2,0,0,0,0,0|2,0,0]=4 4781 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [2,0,0,0,0,0|2,0,0]=4 4782 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [2,0,0,0,0,0|1,0,0]=3 4783 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [2,0,0,0,0,0|2,0,0]=4 4784 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [2,0,0,0,0,0|2,0,0]=4 4785 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,0,0,0,0|1,0,0]=3 4786 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [2,0,0,0,0,0|1,0,1]=4 4787 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [2,0,0,0,0,0|1,0,1]=4 4788 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,0]=3 4789 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,0]=3 4790 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,0]=3 4791 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 4792 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 4793 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,0]=3 4794 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,0]=3 4795 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 4796 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 4797 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [2,0,0,0,0,0|2,0,0]=4 4798 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [2,0,0,0,0,0|2,0,0]=4 4799 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 4800 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [2,0,0,0,0,0|2,0,0]=4 4801 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [2,0,0,0,0,0|2,0,0]=4 4802 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [2,0,0,0,0,0|2,0,0]=4 4803 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 4804 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 4805 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 4806 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [2,0,0,0,0,0|2,0,0]=4 4807 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 4808 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 4809 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 4810 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 4811 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [2,0,0,0,0,0|2,0,0]=4 4812 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [2,0,0,0,0,0|2,0,0]=4 4813 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|2,0,0]=4 4814 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|2,0,0]=4 4815 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,2]=4 4816 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,2]=4 4817 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,2]=4 4818 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [2,0,0,0,0,0|0,0,2]=4 4819 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [2,0,0,0,0,0|0,0,2]=4 4820 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [2,0,0,0,0,0|0,0,2]=4 4821 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|0,0,2]=4 4822 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|0,0,2]=4 4823 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,0]=2 4824 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,0]=2 4825 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,0]=2 4826 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 4827 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|2,0,0]=4 4828 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 4829 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|2,0,0]=4 4830 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 4831 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 4832 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 4833 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 4834 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 4835 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,0]=3 4836 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 4837 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 4838 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [2,0,0,0,0,0|2,0,0]=4 4839 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,0]=3 4840 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,0]=3 4841 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 4842 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,0]=3 4843 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|2,0,0]=4 4844 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,0]=3 4845 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 4846 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 4847 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,0]=3 4848 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|2,0,0]=4 4849 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|2,0,0]=4 4850 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 4851 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,0]=3 4852 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,0]=3 4853 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 4854 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 4855 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 4856 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 4857 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 4858 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,0]=3 4859 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|2,0,0]=4 4860 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,0]=3 4861 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,0]=3 4862 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,0]=3 4863 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,0]=3 4864 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 4865 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 4866 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,0]=3 4867 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|2,0,0]=4 4868 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|2,0,0]=4 4869 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,0]=3 4870 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,0]=3 4871 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 4872 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 4873 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 4874 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [2,0,0,0,0,0|2,0,0]=4 4875 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 4876 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 4877 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 4878 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|2,0,0]=4 4879 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|2,0,0]=4 4880 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,0]=3 4881 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,0]=3 4882 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 4883 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,0]=3 4884 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 4885 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 4886 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,0]=3 4887 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 4888 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 4889 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 4890 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 4891 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|2,0,0]=4 4892 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [2,0,0,0,0,0|2,0,0]=4 4893 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,0]=3 4894 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,0]=3 4895 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,0]=3 4896 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 4897 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 4898 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,0]=3 4899 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 4900 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 4901 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 4902 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [2,0,0,0,0,0|2,0,0]=4 4903 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [2,0,0,0,0,0|2,0,0]=4 4904 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [2,0,0,0,0,0|2,0,0]=4 4905 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|2,0,0]=4 4906 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|2,0,0]=4 4907 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [2,0,0,0,0,0|2,0,0]=4 4908 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [2,0,0,0,0,0|1,0,1]=4 4909 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,0]=3 4910 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [2,0,0,0,0,0|2,0,0]=4 4911 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 4912 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 4913 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 4914 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|0,0,2]=4 4915 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|0,0,2]=4 4916 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [1,1,0,0,0,0|1,0,1]=4 4917 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [1,1,0,0,0,0|1,0,1]=4 4918 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [1,1,0,0,0,0|1,0,1]=4 4919 B9R0.5 C=CCC(C)COCC=O 34a_100009832082_200009817547 [1,1,0,0,0,0|1,0,0]=3 4920 B9R0.5 C=CCC(C)COCC=O 7a_100009832082_200015260668 [1,1,0,0,0,0|1,0,0]=3 4921 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,1,0,0,0,0|1,0,1]=4 4922 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,1,0,0,0,0|1,0,1]=4 4923 B9R0.5 C=CCC(C)COCSC 34a_100009832082_100011218213 [1,1,0,0,0,0|2,0,0]=4 4924 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [1,1,0,0,0,0|0,0,2]=4 4925 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [1,1,0,0,0,0|0,0,2]=4 4926 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [1,1,0,0,0,0|0,0,2]=4 4927 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|0,0,2]=4 4928 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|0,0,2]=4 4929 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [1,1,0,0,0,0|1,0,1]=4 4930 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [1,1,0,0,0,0|1,0,1]=4 4931 B9R0.5 C=CCCCN(C)CC=C 2230a_100000225617_100011713584 [1,1,0,0,0,0|1,0,1]=4 4932 B9R0.5 C=CCCCN(C)CC=C 269982a_100000225617_100000757094 [1,1,0,0,0,0|1,0,1]=4 4933 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [1,1,0,0,0,0|1,0,1]=4 4934 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [1,1,0,0,0,0|1,0,1]=4 4935 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [1,1,0,0,0,0|1,0,1]=4 4936 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [1,1,0,0,0,0|1,0,1]=4 4937 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [1,1,0,0,0,0|1,0,1]=4 4938 B9R0.5 C=CCCNC(C)COC 2230a_100015191253_100000765312 [1,1,0,0,0,0|2,0,0]=4 4939 B9R0.5 C=CCCNC(C)COC 270004a_100015191253_100000749346 [1,1,0,0,0,0|2,0,0]=4 4940 B9R0.5 C=CCCNC(C)CSC 270004a_100015191253_100011216314 [1,1,0,0,0,0|2,0,0]=4 4941 B9R0.5 C=CCCN[C@H](C)COC 2230a_100000764878_100000754431 [1,1,0,0,0,0|2,0,0]=4 4942 B9R0.5 C=CCCOC(C)/C=C/C 34a_200102604097_100000754431 [1,1,0,0,0,0|1,0,1]=4 4943 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [1,1,0,0,0,0|1,0,1]=4 4944 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [1,1,0,0,0,0|1,0,1]=4 4945 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [1,1,0,0,0,0|1,0,1]=4 4946 B9R0.5 C=CCCOC(C)COC 34a_100011205117_100000765312 [1,1,0,0,0,0|2,0,0]=4 4947 B9R0.5 C=CCCO[C@H](C)CC=C 34a_100000731007_100000754431 [1,1,0,0,0,0|1,0,1]=4 4948 B9R0.5 C=CCCO[C@H](C)CC=C 7a_100000731007_100000754431 [1,1,0,0,0,0|1,0,1]=4 4949 B9R0.5 C=CCCO[C@H](C)COC 34a_100011934205_100000754431 [1,1,0,0,0,0|2,0,0]=4 4950 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [1,1,0,0,0,0|1,0,1]=4 4951 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [1,1,0,0,0,0|1,0,1]=4 4952 B9R0.5 C=CCCSC(C)COC 62a_100000754431_100000765312 [1,1,0,0,0,0|2,0,0]=4 4953 B9R0.5 C=CCCSC(C)COC 62a_100000765312_100000754431 [1,1,0,0,0,0|2,0,0]=4 4954 B9R0.5 C=CCN(C)CCCC=O 2230a_100000225617_200011292268 [1,1,0,0,0,0|1,0,0]=3 4955 B9R0.5 C=CCN(C)CCCC=O 269982a_100000225617_200011292268 [1,1,0,0,0,0|1,0,0]=3 4956 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,1,0,0,0,0|1,0,1]=4 4957 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,1,0,0,0,0|1,0,1]=4 4958 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,1,0,0,0,0|1,0,1]=4 4959 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,1,0,0,0,0|1,0,1]=4 4960 B9R0.5 C=CCN(C)CCCOC 2230a_100000224831_100000210623 [1,1,0,0,0,0|2,0,0]=4 4961 B9R0.5 C=CCN(C)CCCOC 2230a_100000225617_100000740836 [1,1,0,0,0,0|2,0,0]=4 4962 B9R0.5 C=CCN(C)CCCOC 269982a_100000224831_100000210623 [1,1,0,0,0,0|2,0,0]=4 4963 B9R0.5 C=CCN(C)CCCOC 269982a_100000225617_100000740836 [1,1,0,0,0,0|2,0,0]=4 4964 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [1,1,0,0,0,0|1,0,1]=4 4965 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [1,1,0,0,0,0|1,0,1]=4 4966 B9R0.5 C=CCNCC(O)COC 2230a_100000756049_100000210623 [1,1,0,0,0,0|2,0,0]=4 4967 B9R0.5 C=CCNCC(O)COC 34a_100000756049_100015514636 [1,1,0,0,0,0|2,0,0]=4 4968 B9R0.5 C=CCOCC(C)CC=C 34a_100009832082_100015514636 [1,1,0,0,0,0|1,0,1]=4 4969 B9R0.5 C=CCOCC(C)CC=C 7a_100009832082_100015514636 [1,1,0,0,0,0|1,0,1]=4 4970 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [1,1,0,0,0,0|1,0,1]=4 4971 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [1,1,0,0,0,0|1,0,1]=4 4972 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [1,1,0,0,0,0|1,0,1]=4 4973 B9R0.5 C=CCOCC(N)COC 34a_100000724102_100015514636 [1,1,0,0,0,0|2,0,0]=4 4974 B9R0.5 C=CCOCC(O)COC 34a_200000210373_100011215053 [1,1,0,0,0,0|2,0,0]=4 4975 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [1,1,0,0,0,0|1,0,1]=4 4976 B9R0.5 C=CCOC[C@H](N)CC=C 34a_100020615467_100015514636 [1,1,0,0,0,0|1,0,1]=4 4977 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [1,1,0,0,0,0|1,0,1]=4 4978 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [1,1,0,0,0,0|1,0,1]=4 4979 B9R0.5 C=CCSCC(O)COC 62a_100000210623_100011215053 [1,1,0,0,0,0|2,0,0]=4 4980 B9R0.5 C=CCSCC(O)COC 62a_100011215053_100000210623 [1,1,0,0,0,0|2,0,0]=4 4981 B9R0.5 C=CC[C@@H](C)OC/C=C/C 34a_100000731007_100102629194 [1,1,0,0,0,0|1,0,1]=4 4982 B9R0.5 C=CC[C@@H](C)OC/C=C/C 7a_100000731007_100102629194 [1,1,0,0,0,0|1,0,1]=4 4983 B9R0.5 C=CC[C@@H](C)OCC=CC 34a_100000731007_100000070051 [1,1,0,0,0,0|1,0,1]=4 4984 B9R0.5 C=CC[C@@H](C)OCC=CC 7a_100000731007_100000070051 [1,1,0,0,0,0|1,0,1]=4 4985 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,1,0,0,0,0|1,0,1]=4 4986 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,1,0,0,0,0|1,0,1]=4 4987 B9R0.5 C=CC[C@@H](C)OCCOC 34a_100000731007_100011201679 [1,1,0,0,0,0|2,0,0]=4 4988 B9R0.5 C=CC[C@@H](C)OCCOC 7a_100000731007_100000233755 [1,1,0,0,0,0|2,0,0]=4 4989 B9R0.5 C=CC[C@@H](C)OCCSC 34a_100000731007_100000212216 [1,1,0,0,0,0|2,0,0]=4 4990 B9R0.5 C=CC[C@@H](C)OCCSC 7a_100000731007_100000212216 [1,1,0,0,0,0|2,0,0]=4 4991 B9R0.5 C=CC[C@@H](N)COCC=O 34a_100020615467_200009817547 [1,1,0,0,0,0|1,0,0]=3 4992 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [1,1,0,0,0,0|1,0,1]=4 4993 B9R0.5 C=CC[C@@H](N)COCSC 34a_100020615467_100011218213 [1,1,0,0,0,0|2,0,0]=4 4994 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [1,1,0,0,0,0|0,0,2]=4 4995 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [1,1,0,0,0,0|0,0,2]=4 4996 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [1,1,0,0,0,0|0,0,2]=4 4997 B9R0.18 C=CCCC(=O)CCC=C 1458a_100000749702_100000754431 [1,1,0,0,0,0|0,0,2]=4 4998 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|0,0,2]=4 4999 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|0,0,2]=4 5000 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [1,1,0,0,0,0|1,0,1]=4 5001 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [1,1,0,0,0,0|1,0,1]=4 5002 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [1,1,0,0,0,0|1,0,1]=4 5003 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [1,1,0,0,0,0|1,0,1]=4 5004 B9R0.18 C=CCCC(C)NCC=C 270004a_100020586998_100000762624 [1,1,0,0,0,0|1,0,1]=4 5005 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [1,1,0,0,0,0|1,0,1]=4 5006 B9R0.18 C=CCCC(C)OCC=C 34a_100000765329_100015514636 [1,1,0,0,0,0|1,0,1]=4 5007 B9R0.18 C=CCCC(C)OCC=C 7a_100000765329_100015514636 [1,1,0,0,0,0|1,0,1]=4 5008 B9R0.18 C=CCCC(C)OCC=O 34a_100000765329_200009817547 [1,1,0,0,0,0|1,0,0]=3 5009 B9R0.18 C=CCCC(C)OCC=O 7a_100000765329_200015260668 [1,1,0,0,0,0|1,0,0]=3 5010 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [1,1,0,0,0,0|1,0,1]=4 5011 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [1,1,0,0,0,0|1,0,1]=4 5012 B9R0.18 C=CCCC(C)OCSC 34a_100000765329_100011218213 [1,1,0,0,0,0|2,0,0]=4 5013 B9R0.18 C=CCCN(C)C/C=C/C 269982a_100020639649_100102629194 [1,1,0,0,0,0|1,0,1]=4 5014 B9R0.18 C=CCCN(C)CC=CC 2230a_100020639649_100000070051 [1,1,0,0,0,0|1,0,1]=4 5015 B9R0.18 C=CCCN(C)CCC=C 2230a_100020639649_100000754431 [1,1,0,0,0,0|1,0,1]=4 5016 B9R0.18 C=CCCN(C)CCC=C 269982a_100020639649_100000754431 [1,1,0,0,0,0|1,0,1]=4 5017 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [1,1,0,0,0,0|1,0,1]=4 5018 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [1,1,0,0,0,0|1,0,1]=4 5019 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [1,1,0,0,0,0|1,0,1]=4 5020 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [1,1,0,0,0,0|1,0,1]=4 5021 B9R0.18 C=CCCN(C)CCOC 2230a_100000743101_100000754431 [1,1,0,0,0,0|2,0,0]=4 5022 B9R0.18 C=CCCN(C)CCOC 2230a_100011698344_200000210301 [1,1,0,0,0,0|2,0,0]=4 5023 B9R0.18 C=CCCN(C)CCOC 2230a_100020639649_100011201679 [1,1,0,0,0,0|2,0,0]=4 5024 B9R0.18 C=CCCN(C)CCOC 269982a_100000743101_100000754431 [1,1,0,0,0,0|2,0,0]=4 5025 B9R0.18 C=CCCN(C)CCOC 269982a_100011698344_200000210301 [1,1,0,0,0,0|2,0,0]=4 5026 B9R0.18 C=CCCN(C)CCOC 269982a_100020639649_100000233755 [1,1,0,0,0,0|2,0,0]=4 5027 B9R0.18 C=CCCN(C)CCSC 2230a_100000686725_100000754431 [1,1,0,0,0,0|2,0,0]=4 5028 B9R0.18 C=CCCN(C)CCSC 2230a_100020639649_100000751147 [1,1,0,0,0,0|2,0,0]=4 5029 B9R0.18 C=CCCN(C)CCSC 269982a_100000686725_100000754431 [1,1,0,0,0,0|2,0,0]=4 5030 B9R0.18 C=CCCN(C)CCSC 269982a_100020639649_100000212216 [1,1,0,0,0,0|2,0,0]=4 5031 B9R0.18 C=CCCN([13CH3])CCOC 2230a_100011698344_200025704644 [1,1,0,0,0,0|2,0,0]=4 5032 B9R0.18 C=CCCN([13CH3])CCOC 269982a_100011698344_200025704644 [1,1,0,0,0,0|2,0,0]=4 5033 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [1,1,0,0,0,0|1,0,1]=4 5034 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [1,1,0,0,0,0|1,0,1]=4 5035 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [1,1,0,0,0,0|1,0,1]=4 5036 B9R0.18 C=CCNC(C)CCOC 270004a_100020586998_100000742357 [1,1,0,0,0,0|2,0,0]=4 5037 B9R0.18 C=CCNC(C)CCSC 270004a_100020586998_100011217047 [1,1,0,0,0,0|2,0,0]=4 5038 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [1,1,0,0,0,0|1,0,1]=4 5039 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [1,1,0,0,0,0|1,0,1]=4 5040 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [1,1,0,0,0,0|1,0,1]=4 5041 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [1,1,0,0,0,0|1,0,1]=4 5042 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [1,1,0,0,0,0|1,0,1]=4 5043 B9R0.45 C#CCCCCNCC=C 2230a_100000706060_100000210623 [1,1,0,0,0,0|0,0,2]=4 5044 B9R0.45 C#CCCCCNCC=C 2230a_100020586998_100010269958 [1,1,0,0,0,0|0,0,2]=4 5045 B9R0.45 C#CCCCCNCC=C 34a_100000706060_100015514636 [1,1,0,0,0,0|0,0,2]=4 5046 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [1,1,0,0,0,0|0,0,2]=4 5047 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [1,1,0,0,0,0|0,0,2]=4 5048 B9R0.45 C#CCCCCOCC=C 34a_100000766709_100015514636 [1,1,0,0,0,0|0,0,2]=4 5049 B9R0.45 C#CCCCCOCC=C 34a_200000210373_100010269958 [1,1,0,0,0,0|0,0,2]=4 5050 B9R0.45 C#CCCCCOCC=C 7a_100000766709_100015514636 [1,1,0,0,0,0|0,0,2]=4 5051 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [1,1,0,0,0,0|0,0,2]=4 5052 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [1,1,0,0,0,0|0,0,2]=4 5053 B9R0.45 C#CCCCCSCC=C 62a_100000210623_100010269958 [1,1,0,0,0,0|0,0,2]=4 5054 B9R0.45 C#CCCCCSCC=C 62a_100010269958_100000210623 [1,1,0,0,0,0|0,0,2]=4 5055 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [1,1,0,0,0,0|0,0,2]=4 5056 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [1,1,0,0,0,0|0,0,2]=4 5057 B9R0.45 C#CCCCNCCC=C 2230a_100015191253_100000731252 [1,1,0,0,0,0|0,0,2]=4 5058 B9R0.45 C#CCCCNCCC=C 34a_100000718082_100000754431 [1,1,0,0,0,0|0,0,2]=4 5059 B9R0.45 C#CCCCOCCC=C 34a_100000215630_100000754431 [1,1,0,0,0,0|0,0,2]=4 5060 B9R0.45 C#CCCCOCCC=C 34a_100011205117_100000695029 [1,1,0,0,0,0|0,0,2]=4 5061 B9R0.45 C#CCCCOCCC=C 7a_100000215630_100000754431 [1,1,0,0,0,0|0,0,2]=4 5062 B9R0.45 C#CCCCSCCC=C 62a_100000754431_100011215417 [1,1,0,0,0,0|0,0,2]=4 5063 B9R0.45 C#CCCCSCCC=C 62a_100011215417_100000754431 [1,1,0,0,0,0|0,0,2]=4 5064 B9R0.45 C#CCCNCCCC=C 2230a_100000700776_100000688953 [1,1,0,0,0,0|0,0,2]=4 5065 B9R0.45 C#CCCNCCCC=C 34a_100000700776_100000688953 [1,1,0,0,0,0|0,0,2]=4 5066 B9R0.45 C#CCCNCCCC=C 34a_100000755551_100000757094 [1,1,0,0,0,0|0,0,2]=4 5067 B9R0.45 C#CCCOCCCC=C 34a_100000758997_100000688953 [1,1,0,0,0,0|0,0,2]=4 5068 B9R0.45 C#CCCOCCCC=C 34a_100011215631_100000757094 [1,1,0,0,0,0|0,0,2]=4 5069 B9R0.45 C#CCCOCCCC=C 7a_100000758997_100000688953 [1,1,0,0,0,0|0,0,2]=4 5070 B9R0.45 C#CCCSCCCC=C 62a_100000688953_100000757094 [1,1,0,0,0,0|0,0,2]=4 5071 B9R0.45 C#CCCSCCCC=C 62a_100011713584_100000688953 [1,1,0,0,0,0|0,0,2]=4 5072 B9R0.45 C#CCCSCCCC=O 62a_100000688953_200011292268 [1,1,0,0,0,0|0,0,2]=4 5073 B9R0.45 C#CCCSCCCC=O 62a_200011292268_100000688953 [1,1,0,0,0,0|0,0,2]=4 5074 B9R0.45 C#CCNCCCCC=C 2230a_100000703577_100000038162 [1,1,0,0,0,0|0,0,2]=4 5075 B9R0.45 C#CCNCCCCC=C 34a_100000212058_100011215482 [1,1,0,0,0,0|0,0,2]=4 5076 B9R0.45 C#CCNCCCCC=C 34a_100000703577_100000184674 [1,1,0,0,0,0|0,0,2]=4 5077 B9R0.45 C#CCOCCCCC=C 34a_100000210247_100011215482 [1,1,0,0,0,0|0,0,2]=4 5078 B9R0.45 C#CCOCCCCC=C 34a_100000766645_100000184674 [1,1,0,0,0,0|0,0,2]=4 5079 B9R0.45 C#CCOCCCCC=C 7a_100000766645_100000038162 [1,1,0,0,0,0|0,0,2]=4 5080 B9R0.45 C#CCSCCCCC=C 62a_100000038162_100011215482 [1,1,0,0,0,0|0,0,2]=4 5081 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [1,1,0,0,0,0|0,0,2]=4 5082 B9R0.45 C/C=C/CCOC/C=C/C 34a_100016278192_100102629194 [1,1,0,0,0,0|1,0,1]=4 5083 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,1,0,0,0,0|1,0,1]=4 5084 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [1,1,0,0,0,0|2,0,0]=4 5085 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [1,1,0,0,0,0|2,0,0]=4 5086 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [1,1,0,0,0,0|2,0,0]=4 5087 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,1,0,0,0,0|1,0,1]=4 5088 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,1,0,0,0,0|1,0,1]=4 5089 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,1,0,0,0,0|1,0,1]=4 5090 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [1,1,0,0,0,0|2,0,0]=4 5091 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [1,1,0,0,0,0|2,0,0]=4 5092 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [1,1,0,0,0,0|2,0,0]=4 5093 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [1,1,0,0,0,0|2,0,0]=4 5094 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [1,1,0,0,0,0|2,0,0]=4 5095 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [1,1,0,0,0,0|1,0,0]=3 5096 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [1,1,0,0,0,0|1,0,0]=3 5097 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,1,0,0,0,0|1,0,1]=4 5098 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,1,0,0,0,0|1,0,1]=4 5099 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [1,1,0,0,0,0|2,0,0]=4 5100 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [1,1,0,0,0,0|2,0,0]=4 5101 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [1,1,0,0,0,0|1,0,1]=4 5102 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [1,1,0,0,0,0|1,0,1]=4 5103 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [1,1,0,0,0,0|1,0,1]=4 5104 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [1,1,0,0,0,0|1,0,1]=4 5105 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,1,0,0,0,0|0,0,1]=3 5106 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,1,0,0,0,0|0,0,1]=3 5107 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,1,0,0,0,0|0,0,1]=3 5108 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,1,0,0,0,0|0,0,1]=3 5109 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,1,0,0,0,0|0,0,1]=3 5110 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,1,0,0,0,0|0,0,1]=3 5111 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,1,0,0,0,0|0,0,1]=3 5112 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,1,0,0,0,0|0,0,1]=3 5113 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,1,0,0,0,0|0,0,1]=3 5114 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,1,0,0,0,0|0,0,1]=3 5115 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,1,0,0,0,0|0,0,1]=3 5116 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,1,0,0,0,0|0,0,1]=3 5117 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,1,0,0,0,0|0,0,1]=3 5118 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,1,0,0,0,0|0,0,1]=3 5119 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,1,0,0,0,0|0,0,1]=3 5120 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,1,0,0,0,0|0,0,1]=3 5121 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [1,1,0,0,0,0|1,0,0]=3 5122 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [1,1,0,0,0,0|1,0,0]=3 5123 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,1,0,0,0,0|0,0,1]=3 5124 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,1,0,0,0,0|0,0,1]=3 5125 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [1,1,0,0,0,0|1,0,0]=3 5126 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [1,1,0,0,0,0|1,0,0]=3 5127 B9R0.45 C=CCCCCNCC#N 2230a_100000703577_100011215382 [1,1,0,0,0,0|1,0,1]=4 5128 B9R0.45 C=CCCCCNCC=C 2230a_100000703577_100000210623 [1,1,0,0,0,0|0,0,1]=3 5129 B9R0.45 C=CCCCCNCC=C 2230a_100020586998_100011215482 [1,1,0,0,0,0|0,0,1]=3 5130 B9R0.45 C=CCCCCNCC=C 34a_100000703577_100015514636 [1,1,0,0,0,0|0,0,1]=3 5131 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [1,1,0,0,0,0|0,0,0]=2 5132 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [1,1,0,0,0,0|0,0,0]=2 5133 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,1,0,0,0,0|0,0,1]=3 5134 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,1,0,0,0,0|0,0,1]=3 5135 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [1,1,0,0,0,0|1,0,1]=4 5136 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [1,1,0,0,0,0|1,0,1]=4 5137 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [1,1,0,0,0,0|1,0,1]=4 5138 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,1,0,0,0,0|0,0,2]=4 5139 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,1,0,0,0,0|0,0,2]=4 5140 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,1,0,0,0,0|0,0,2]=4 5141 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,1,0,0,0,0|0,0,2]=4 5142 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [1,1,0,0,0,0|1,0,0]=3 5143 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [1,1,0,0,0,0|1,0,0]=3 5144 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [1,1,0,0,0,0|1,0,0]=3 5145 B9R0.45 C=CCCCCOCC#N 7a_100000766645_100011215382 [1,1,0,0,0,0|1,0,1]=4 5146 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [1,1,0,0,0,0|0,0,1]=3 5147 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [1,1,0,0,0,0|0,0,1]=3 5148 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [1,1,0,0,0,0|0,0,1]=3 5149 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [1,1,0,0,0,0|0,0,0]=2 5150 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [1,1,0,0,0,0|0,0,0]=2 5151 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [1,1,0,0,0,0|1,0,1]=4 5152 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,1,0,0,0,0|0,0,1]=3 5153 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,1,0,0,0,0|0,0,1]=3 5154 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,1,0,0,0,0|0,0,1]=3 5155 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [1,1,0,0,0,0|1,0,1]=4 5156 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [1,1,0,0,0,0|1,0,1]=4 5157 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [1,1,0,0,0,0|1,0,1]=4 5158 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,1,0,0,0,0|0,0,2]=4 5159 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,1,0,0,0,0|0,0,2]=4 5160 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [1,1,0,0,0,0|1,0,0]=3 5161 B9R0.45 C=CCCCCSCC#N 62a_100011215382_100011215482 [1,1,0,0,0,0|1,0,1]=4 5162 B9R0.45 C=CCCCCSCC#N 62a_100011215482_100011215382 [1,1,0,0,0,0|1,0,1]=4 5163 B9R0.45 C=CCCCCSCC=C 62a_100000210623_100011215482 [1,1,0,0,0,0|0,0,1]=3 5164 B9R0.45 C=CCCCCSCC=C 62a_100011215482_100000210623 [1,1,0,0,0,0|0,0,1]=3 5165 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [1,1,0,0,0,0|0,0,0]=2 5166 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [1,1,0,0,0,0|0,0,0]=2 5167 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,1,0,0,0,0|0,0,1]=3 5168 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,1,0,0,0,0|0,0,1]=3 5169 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [1,1,0,0,0,0|1,0,1]=4 5170 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [1,1,0,0,0,0|1,0,1]=4 5171 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,1,0,0,0,0|0,0,2]=4 5172 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,1,0,0,0,0|0,0,2]=4 5173 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [1,1,0,0,0,0|1,0,0]=3 5174 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [1,1,0,0,0,0|1,0,0]=3 5175 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [1,1,0,0,0,0|1,0,0]=3 5176 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [1,1,0,0,0,0|1,0,0]=3 5177 B9R0.45 C=CCCCNC/C=C/C 34a_100000700776_100102629194 [1,1,0,0,0,0|0,0,1]=3 5178 B9R0.45 C=CCCCNCC#CC 2230a_100000685387_100011713584 [1,1,0,0,0,0|0,0,2]=4 5179 B9R0.45 C=CCCCNCC#CC 2230a_100000700776_100000748600 [1,1,0,0,0,0|0,0,2]=4 5180 B9R0.45 C=CCCCNCC#CC 34a_100000685387_100000757094 [1,1,0,0,0,0|0,0,2]=4 5181 B9R0.45 C=CCCCNCC#CC 34a_100000700776_100000748600 [1,1,0,0,0,0|0,0,2]=4 5182 B9R0.45 C=CCCCNCC=CC 2230a_100000700776_100000070051 [1,1,0,0,0,0|0,0,1]=3 5183 B9R0.45 C=CCCCNCC=CC 34a_100000700776_100000070051 [1,1,0,0,0,0|0,0,1]=3 5184 B9R0.45 C=CCCCNCCC#N 2230a_100000700776_100011215226 [1,1,0,0,0,0|1,0,1]=4 5185 B9R0.45 C=CCCCNCCC=C 2230a_100000700776_100000754431 [1,1,0,0,0,0|0,0,1]=3 5186 B9R0.45 C=CCCCNCCC=C 2230a_100015191253_100011713584 [1,1,0,0,0,0|0,0,1]=3 5187 B9R0.45 C=CCCCNCCC=C 34a_100000700776_100000754431 [1,1,0,0,0,0|0,0,1]=3 5188 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,1,0,0,0,0|0,0,1]=3 5189 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,1,0,0,0,0|0,0,1]=3 5190 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,1,0,0,0,0|0,0,1]=3 5191 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,1,0,0,0,0|0,0,1]=3 5192 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [1,1,0,0,0,0|1,0,1]=4 5193 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [1,1,0,0,0,0|1,0,1]=4 5194 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [1,1,0,0,0,0|1,0,1]=4 5195 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [1,1,0,0,0,0|1,0,1]=4 5196 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,1,0,0,0,0|0,0,2]=4 5197 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,1,0,0,0,0|0,0,2]=4 5198 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [1,1,0,0,0,0|1,0,0]=3 5199 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [1,1,0,0,0,0|1,0,0]=3 5200 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [1,1,0,0,0,0|1,0,0]=3 5201 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [1,1,0,0,0,0|1,0,0]=3 5202 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [1,1,0,0,0,0|1,0,0]=3 5203 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [1,1,0,0,0,0|1,0,0]=3 5204 B9R0.45 C=CCCCOC/C=C/C 34a_100000758997_100102629194 [1,1,0,0,0,0|0,0,1]=3 5205 B9R0.45 C=CCCCOC/C=C/C 34a_100016270725_100000757094 [1,1,0,0,0,0|0,0,1]=3 5206 B9R0.45 C=CCCCOC/C=C/C 7a_100000758997_100102629194 [1,1,0,0,0,0|0,0,1]=3 5207 B9R0.45 C=CCCCOCC#CC 34a_100000758997_100000748600 [1,1,0,0,0,0|0,0,2]=4 5208 B9R0.45 C=CCCCOCC#CC 34a_100000761923_100000757094 [1,1,0,0,0,0|0,0,2]=4 5209 B9R0.45 C=CCCCOCC#CC 7a_100000758997_100000748600 [1,1,0,0,0,0|0,0,2]=4 5210 B9R0.45 C=CCCCOCC=CC 34a_100000758997_100000070051 [1,1,0,0,0,0|0,0,1]=3 5211 B9R0.45 C=CCCCOCC=CC 7a_100000758997_100000070051 [1,1,0,0,0,0|0,0,1]=3 5212 B9R0.45 C=CCCCOCCC#N 7a_100000758997_100000184422 [1,1,0,0,0,0|1,0,1]=4 5213 B9R0.45 C=CCCCOCCC=C 34a_100000758997_100000754431 [1,1,0,0,0,0|0,0,1]=3 5214 B9R0.45 C=CCCCOCCC=C 34a_100011205117_100000757094 [1,1,0,0,0,0|0,0,1]=3 5215 B9R0.45 C=CCCCOCCC=C 7a_100000758997_100000754431 [1,1,0,0,0,0|0,0,1]=3 5216 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [1,1,0,0,0,0|1,0,1]=4 5217 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,1,0,0,0,0|0,0,1]=3 5218 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,1,0,0,0,0|0,0,1]=3 5219 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,1,0,0,0,0|0,0,1]=3 5220 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,1,0,0,0,0|0,0,1]=3 5221 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [1,1,0,0,0,0|1,0,1]=4 5222 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [1,1,0,0,0,0|1,0,1]=4 5223 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [1,1,0,0,0,0|1,0,1]=4 5224 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [1,1,0,0,0,0|1,0,1]=4 5225 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [1,1,0,0,0,0|1,0,1]=4 5226 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,1,0,0,0,0|0,0,2]=4 5227 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,1,0,0,0,0|0,0,2]=4 5228 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [1,1,0,0,0,0|1,0,0]=3 5229 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [1,1,0,0,0,0|1,0,0]=3 5230 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [1,1,0,0,0,0|1,0,0]=3 5231 B9R0.45 C=CCCCOCCON 34a_100000700252_100000757094 [1,1,0,0,0,0|2,0,0]=4 5232 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [1,1,0,0,0,0|1,0,0]=3 5233 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [1,1,0,0,0,0|1,0,0]=3 5234 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [1,1,0,0,0,0|1,0,0]=3 5235 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [1,1,0,0,0,0|1,0,0]=3 5236 B9R0.45 C=CCCCSC/C=C/C 62a_100011713584_100102629194 [1,1,0,0,0,0|0,0,1]=3 5237 B9R0.45 C=CCCCSC/C=C/C 62a_100102629194_100000757094 [1,1,0,0,0,0|0,0,1]=3 5238 B9R0.45 C=CCCCSCC#CC 62a_100000748600_100000757094 [1,1,0,0,0,0|0,0,2]=4 5239 B9R0.45 C=CCCCSCC#CC 62a_100011713584_100000748600 [1,1,0,0,0,0|0,0,2]=4 5240 B9R0.45 C=CCCCSCC=CC 62a_100000070051_100000757094 [1,1,0,0,0,0|0,0,1]=3 5241 B9R0.45 C=CCCCSCC=CC 62a_100011713584_100000070051 [1,1,0,0,0,0|0,0,1]=3 5242 B9R0.45 C=CCCCSCCC#N 62a_100011215226_100000757094 [1,1,0,0,0,0|1,0,1]=4 5243 B9R0.45 C=CCCCSCCC#N 62a_100011713584_100011215226 [1,1,0,0,0,0|1,0,1]=4 5244 B9R0.45 C=CCCCSCCC=C 62a_100000754431_100000757094 [1,1,0,0,0,0|0,0,1]=3 5245 B9R0.45 C=CCCCSCCC=C 62a_100011713584_100000754431 [1,1,0,0,0,0|0,0,1]=3 5246 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,1,0,0,0,0|0,0,1]=3 5247 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,1,0,0,0,0|0,0,1]=3 5248 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [1,1,0,0,0,0|1,0,1]=4 5249 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [1,1,0,0,0,0|1,0,1]=4 5250 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,1,0,0,0,0|0,0,2]=4 5251 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,1,0,0,0,0|0,0,2]=4 5252 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [1,1,0,0,0,0|1,0,0]=3 5253 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [1,1,0,0,0,0|1,0,0]=3 5254 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [1,1,0,0,0,0|1,0,0]=3 5255 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [1,1,0,0,0,0|1,0,0]=3 5256 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [1,1,0,0,0,0|1,0,1]=4 5257 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [1,1,0,0,0,0|1,0,1]=4 5258 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [1,1,0,0,0,0|1,0,1]=4 5259 B9R0.45 C=CCCNCCCC#N 2230a_100015191253_100000687738 [1,1,0,0,0,0|1,0,1]=4 5260 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [1,1,0,0,0,0|0,0,0]=2 5261 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,1,0,0,0,0|0,0,1]=3 5262 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,1,0,0,0,0|0,0,1]=3 5263 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [1,1,0,0,0,0|1,0,1]=4 5264 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,1,0,0,0,0|0,0,2]=4 5265 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,1,0,0,0,0|0,0,2]=4 5266 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,1,0,0,0,0|0,0,2]=4 5267 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [1,1,0,0,0,0|1,0,0]=3 5268 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [1,1,0,0,0,0|1,0,0]=3 5269 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [1,1,0,0,0,0|1,0,0]=3 5270 B9R0.45 C=CCCNCCOC=C 2230a_100015191253_100000039644 [1,1,0,0,0,0|1,0,1]=4 5271 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [1,1,0,0,0,0|1,0,1]=4 5272 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [1,1,0,0,0,0|1,0,1]=4 5273 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [1,1,0,0,0,0|1,0,1]=4 5274 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [1,1,0,0,0,0|1,0,1]=4 5275 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [1,1,0,0,0,0|1,0,1]=4 5276 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [1,1,0,0,0,0|1,0,1]=4 5277 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [1,1,0,0,0,0|1,0,1]=4 5278 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [1,1,0,0,0,0|0,0,1]=3 5279 B9R0.45 C=CCCOCCC#CC 34a_100000750427_100000754431 [1,1,0,0,0,0|0,0,2]=4 5280 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [1,1,0,0,0,0|1,0,1]=4 5281 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,1,0,0,0,0|0,0,1]=3 5282 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,1,0,0,0,0|0,0,1]=3 5283 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,1,0,0,0,0|0,0,1]=3 5284 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [1,1,0,0,0,0|1,0,1]=4 5285 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [1,1,0,0,0,0|1,0,1]=4 5286 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [1,1,0,0,0,0|1,0,1]=4 5287 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [1,1,0,0,0,0|1,0,1]=4 5288 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [1,1,0,0,0,0|1,0,1]=4 5289 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [1,1,0,0,0,0|1,0,1]=4 5290 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [1,1,0,0,0,0|1,0,1]=4 5291 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,1,0,0,0,0|0,0,2]=4 5292 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [1,1,0,0,0,0|1,0,0]=3 5293 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [1,1,0,0,0,0|1,0,0]=3 5294 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [1,1,0,0,0,0|1,0,0]=3 5295 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [1,1,0,0,0,0|1,0,0]=3 5296 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [1,1,0,0,0,0|1,0,0]=3 5297 B9R0.45 C=CCCOCCOC=C 34a_100000033082_100000754431 [1,1,0,0,0,0|1,0,1]=4 5298 B9R0.45 C=CCCOCCOC=C 34a_100011205117_100000039644 [1,1,0,0,0,0|1,0,1]=4 5299 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [1,1,0,0,0,0|1,0,1]=4 5300 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [1,1,0,0,0,0|1,0,1]=4 5301 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [1,1,0,0,0,0|1,0,1]=4 5302 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [1,1,0,0,0,0|1,0,1]=4 5303 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [1,1,0,0,0,0|1,0,1]=4 5304 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [1,1,0,0,0,0|1,0,1]=4 5305 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [1,1,0,0,0,0|1,0,1]=4 5306 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [1,1,0,0,0,0|1,0,1]=4 5307 B9R0.45 C=CCCSCCCC#N 62a_100000687738_100000754431 [1,1,0,0,0,0|1,0,1]=4 5308 B9R0.45 C=CCCSCCCC#N 62a_100000754431_100000687738 [1,1,0,0,0,0|1,0,1]=4 5309 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [1,1,0,0,0,0|0,0,0]=2 5310 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [1,1,0,0,0,0|0,0,0]=2 5311 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,1,0,0,0,0|0,0,1]=3 5312 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,1,0,0,0,0|0,0,1]=3 5313 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [1,1,0,0,0,0|1,0,1]=4 5314 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [1,1,0,0,0,0|1,0,1]=4 5315 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,1,0,0,0,0|0,0,2]=4 5316 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,1,0,0,0,0|0,0,2]=4 5317 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [1,1,0,0,0,0|1,0,0]=3 5318 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [1,1,0,0,0,0|1,0,0]=3 5319 B9R0.45 C=CCCSCCOC=C 62a_100000039644_100000754431 [1,1,0,0,0,0|1,0,1]=4 5320 B9R0.45 C=CCCSCCOC=C 62a_100000754431_100000039644 [1,1,0,0,0,0|1,0,1]=4 5321 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [1,1,0,0,0,0|1,0,1]=4 5322 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [1,1,0,0,0,0|1,0,1]=4 5323 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [1,1,0,0,0,0|1,0,1]=4 5324 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [1,1,0,0,0,0|1,0,1]=4 5325 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [1,1,0,0,0,0|1,0,1]=4 5326 B9R0.45 C=CCNCCCCC#N 2230a_100020586998_100000211819 [1,1,0,0,0,0|1,0,1]=4 5327 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [1,1,0,0,0,0|0,0,0]=2 5328 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,1,0,0,0,0|0,0,1]=3 5329 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,1,0,0,0,0|0,0,1]=3 5330 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [1,1,0,0,0,0|1,0,1]=4 5331 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,1,0,0,0,0|0,0,2]=4 5332 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,1,0,0,0,0|0,0,2]=4 5333 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,1,0,0,0,0|0,0,2]=4 5334 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [1,1,0,0,0,0|1,0,0]=3 5335 B9R0.45 C=CCNCCCOC=C 2230a_100000210767_100000210623 [1,1,0,0,0,0|1,0,1]=4 5336 B9R0.45 C=CCNCCCOC=C 34a_100000210767_100015514636 [1,1,0,0,0,0|1,0,1]=4 5337 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [1,1,0,0,0,0|1,0,1]=4 5338 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [1,1,0,0,0,0|1,0,1]=4 5339 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [1,1,0,0,0,0|1,0,1]=4 5340 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [1,1,0,0,0,0|1,0,1]=4 5341 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [1,1,0,0,0,0|1,0,1]=4 5342 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [1,1,0,0,0,0|1,0,1]=4 5343 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [1,1,0,0,0,0|1,0,1]=4 5344 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [1,1,0,0,0,0|1,0,1]=4 5345 B9R0.45 C=CCNCOCCOC 2230a_100020586998_100000231047 [1,1,0,0,0,0|2,0,0]=4 5346 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [1,1,0,0,0,0|1,0,1]=4 5347 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [1,1,0,0,0,0|1,0,1]=4 5348 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [1,1,0,0,0,0|1,0,1]=4 5349 B9R0.45 C=CCOCCC=C=CC 34a_100011020354_100015514636 [1,1,0,0,0,0|0,0,2]=4 5350 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [1,1,0,0,0,0|0,0,1]=3 5351 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [1,1,0,0,0,0|1,0,1]=4 5352 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [1,1,0,0,0,0|1,0,1]=4 5353 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,1,0,0,0,0|0,0,1]=3 5354 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,1,0,0,0,0|0,0,1]=3 5355 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,1,0,0,0,0|0,0,1]=3 5356 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [1,1,0,0,0,0|1,0,1]=4 5357 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [1,1,0,0,0,0|1,0,1]=4 5358 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [1,1,0,0,0,0|1,0,1]=4 5359 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [1,1,0,0,0,0|1,0,1]=4 5360 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [1,1,0,0,0,0|1,0,1]=4 5361 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [1,1,0,0,0,0|1,0,1]=4 5362 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,1,0,0,0,0|0,0,2]=4 5363 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [1,1,0,0,0,0|1,0,0]=3 5364 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [1,1,0,0,0,0|1,0,0]=3 5365 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [1,1,0,0,0,0|1,0,0]=3 5366 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [1,1,0,0,0,0|1,0,0]=3 5367 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [1,1,0,0,0,0|1,0,1]=4 5368 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [1,1,0,0,0,0|1,0,1]=4 5369 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [1,1,0,0,0,0|1,0,1]=4 5370 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [1,1,0,0,0,0|1,0,1]=4 5371 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [1,1,0,0,0,0|1,0,1]=4 5372 B9R0.45 C=CCOCCOCC=C 34a_100000037705_100015514636 [1,1,0,0,0,0|1,0,1]=4 5373 B9R0.45 C=CCOCCOCC=C 7a_100000037705_100015514636 [1,1,0,0,0,0|1,0,1]=4 5374 B9R0.45 C=CCOCCOCC=O 34a_100000037705_200009817547 [1,1,0,0,0,0|1,0,0]=3 5375 B9R0.45 C=CCOCCOCC=O 7a_100000037705_200015260668 [1,1,0,0,0,0|1,0,0]=3 5376 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [1,1,0,0,0,0|1,0,1]=4 5377 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [1,1,0,0,0,0|1,0,1]=4 5378 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [1,1,0,0,0,0|1,0,1]=4 5379 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [1,1,0,0,0,0|1,0,1]=4 5380 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [1,1,0,0,0,0|1,0,1]=4 5381 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [1,1,0,0,0,0|2,0,0]=4 5382 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [1,1,0,0,0,0|1,0,1]=4 5383 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [1,1,0,0,0,0|1,0,1]=4 5384 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [1,1,0,0,0,0|1,0,1]=4 5385 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [1,1,0,0,0,0|1,0,1]=4 5386 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [1,1,0,0,0,0|1,0,1]=4 5387 B9R0.45 C=CCSCCCCC#N 62a_100000210623_100000211819 [1,1,0,0,0,0|1,0,1]=4 5388 B9R0.45 C=CCSCCCCC#N 62a_100011219923_100000210623 [1,1,0,0,0,0|1,0,1]=4 5389 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [1,1,0,0,0,0|0,0,0]=2 5390 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [1,1,0,0,0,0|0,0,0]=2 5391 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,1,0,0,0,0|0,0,1]=3 5392 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,1,0,0,0,0|0,0,1]=3 5393 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [1,1,0,0,0,0|1,0,1]=4 5394 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [1,1,0,0,0,0|1,0,1]=4 5395 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,1,0,0,0,0|0,0,2]=4 5396 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,1,0,0,0,0|0,0,2]=4 5397 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [1,1,0,0,0,0|1,0,0]=3 5398 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [1,1,0,0,0,0|1,0,0]=3 5399 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [1,1,0,0,0,0|1,0,1]=4 5400 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [1,1,0,0,0,0|1,0,1]=4 5401 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [1,1,0,0,0,0|1,0,1]=4 5402 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [1,1,0,0,0,0|1,0,1]=4 5403 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [1,1,0,0,0,0|1,0,1]=4 5404 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [1,1,0,0,0,0|1,0,1]=4 5405 B9R0.45 C=CCSCOCCOC 62a_100000210623_100000231047 [1,1,0,0,0,0|2,0,0]=4 5406 B9R0.45 C=CCSCOCCOC 62a_100000231047_100000210623 [1,1,0,0,0,0|2,0,0]=4 5407 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [1,1,0,0,0,0|1,0,1]=4 5408 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [1,1,0,0,0,0|1,0,1]=4 5409 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [1,1,0,0,0,0|2,0,0]=4 5410 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [1,1,0,0,0,0|2,0,0]=4 5411 B9R0.45 C=COCCCNCC=O 2230a_100000210767_200015260668 [1,1,0,0,0,0|1,0,0]=3 5412 B9R0.45 C=COCCCNCC=O 34a_100000210767_200009817547 [1,1,0,0,0,0|1,0,0]=3 5413 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [1,1,0,0,0,0|1,0,1]=4 5414 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [1,1,0,0,0,0|1,0,1]=4 5415 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [1,1,0,0,0,0|2,0,0]=4 5416 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [1,1,0,0,0,0|2,0,0]=4 5417 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [1,1,0,0,0,0|2,0,0]=4 5418 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [1,1,0,0,0,0|1,0,1]=4 5419 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [1,1,0,0,0,0|1,0,1]=4 5420 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [1,1,0,0,0,0|2,0,0]=4 5421 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [1,1,0,0,0,0|2,0,0]=4 5422 B9R0.45 C=COCCOC/C=C/C 34a_100000033082_100102629194 [1,1,0,0,0,0|1,0,1]=4 5423 B9R0.45 C=COCCOC/C=C/C 34a_100016270725_100000039644 [1,1,0,0,0,0|1,0,1]=4 5424 B9R0.45 C=COCCOCC=CC 34a_100000033082_100000070051 [1,1,0,0,0,0|1,0,1]=4 5425 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [1,1,0,0,0,0|1,0,1]=4 5426 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [1,1,0,0,0,0|1,0,1]=4 5427 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [1,1,0,0,0,0|1,0,1]=4 5428 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [1,1,0,0,0,0|2,0,0]=4 5429 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [1,1,0,0,0,0|2,0,0]=4 5430 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [1,1,0,0,0,0|2,0,0]=4 5431 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [1,1,0,0,0,0|2,0,0]=4 5432 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [1,1,0,0,0,0|2,0,0]=4 5433 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [1,1,0,0,0,0|2,0,0]=4 5434 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [1,1,0,0,0,0|2,0,0]=4 5435 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [1,1,0,0,0,0|2,0,0]=4 5436 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [1,1,0,0,0,0|2,0,0]=4 5437 B9R0.45 C=COCCSC/C=C/C 62a_100000039644_100102629194 [1,1,0,0,0,0|1,0,1]=4 5438 B9R0.45 C=COCCSC/C=C/C 62a_100102629194_100000039644 [1,1,0,0,0,0|1,0,1]=4 5439 B9R0.45 C=COCCSCC=CC 62a_100000039644_100000070051 [1,1,0,0,0,0|1,0,1]=4 5440 B9R0.45 C=COCCSCC=CC 62a_100000070051_100000039644 [1,1,0,0,0,0|1,0,1]=4 5441 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [1,1,0,0,0,0|1,0,1]=4 5442 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [1,1,0,0,0,0|1,0,1]=4 5443 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [1,1,0,0,0,0|2,0,0]=4 5444 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [1,1,0,0,0,0|2,0,0]=4 5445 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [1,1,0,0,0,0|2,0,0]=4 5446 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [1,1,0,0,0,0|2,0,0]=4 5447 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [1,1,0,0,0,0|1,0,0]=3 5448 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,1,0,0,0,0|1,0,1]=4 5449 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [1,1,0,0,0,0|2,0,0]=4 5450 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,1,0,0,0,0|1,0,1]=4 5451 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [1,1,0,0,0,0|2,0,0]=4 5452 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [1,1,0,0,0,0|2,0,0]=4 5453 B9R0.45 CC=CCOCC/C=C/C 34a_100016278192_100000070051 [1,1,0,0,0,0|1,0,1]=4 5454 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,1,0,0,0,0|1,0,1]=4 5455 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,1,0,0,0,0|1,0,1]=4 5456 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [1,1,0,0,0,0|2,0,0]=4 5457 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [1,1,0,0,0,0|2,0,0]=4 5458 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [1,1,0,0,0,0|2,0,0]=4 5459 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [1,1,0,0,0,0|2,0,0]=4 5460 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [1,1,0,0,0,0|1,0,0]=3 5461 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [1,1,0,0,0,0|1,0,0]=3 5462 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,1,0,0,0,0|1,0,1]=4 5463 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,1,0,0,0,0|1,0,1]=4 5464 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [1,1,0,0,0,0|2,0,0]=4 5465 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [1,1,0,0,0,0|2,0,0]=4 5466 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,1,0,0,0,0|0,0,2]=4 5467 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|0,0,2]=4 5468 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|0,0,2]=4 5469 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,1,0,0,0,0|0,0,2]=4 5470 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,1,0,0,0,0|0,0,2]=4 5471 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,1,0,0,0,0|0,0,2]=4 5472 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,1,0,0,0,0|0,0,2]=4 5473 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,1,0,0,0,0|0,0,2]=4 5474 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,1,0,0,0,0|0,0,2]=4 5475 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,1,0,0,0,0|0,0,2]=4 5476 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,1,0,0,0,0|0,0,2]=4 5477 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,1,0,0,0,0|0,0,2]=4 5478 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,1,0,0,0,0|0,0,2]=4 5479 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,1,0,0,0,0|0,0,2]=4 5480 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,1,0,0,0,0|0,0,2]=4 5481 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,1,0,0,0,0|1,0,1]=4 5482 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,1,0,0,0,0|1,0,1]=4 5483 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,1,0,0,0,0|1,0,1]=4 5484 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [1,1,0,0,0,0|1,0,1]=4 5485 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [1,1,0,0,0,0|1,0,1]=4 5486 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [1,1,0,0,0,0|1,0,1]=4 5487 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [1,1,0,0,0,0|1,0,1]=4 5488 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [1,1,0,0,0,0|1,0,1]=4 5489 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,1,0,0,0,0|1,0,1]=4 5490 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,1,0,0,0,0|1,0,1]=4 5491 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [1,1,0,0,0,0|1,0,1]=4 5492 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [1,1,0,0,0,0|1,0,1]=4 5493 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [1,1,0,0,0,0|1,0,1]=4 5494 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [1,1,0,0,0,0|1,0,1]=4 5495 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [1,1,0,0,0,0|1,0,1]=4 5496 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [1,1,0,0,0,0|1,0,1]=4 5497 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [1,1,0,0,0,0|1,0,1]=4 5498 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [1,1,0,0,0,0|1,0,1]=4 5499 B9R0.45 N#CCCSCCCC=O 62a_100011215226_200011292268 [1,1,0,0,0,0|1,0,1]=4 5500 B9R0.45 N#CCCSCCCC=O 62a_200011292268_100011215226 [1,1,0,0,0,0|1,0,1]=4 5501 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [1,1,0,0,0,0|1,0,1]=4 5502 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [1,1,0,0,0,0|1,0,1]=4 5503 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,1,0,0,0,0|1,0,1]=4 5504 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [1,1,0,0,0,0|1,0,1]=4 5505 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [1,1,0,0,0,0|1,0,1]=4 5506 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,1,0,0,0,0|1,0,1]=4 5507 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [1,1,0,0,0,0|1,0,0]=3 5508 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [1,1,0,0,0,0|1,0,0]=3 5509 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [1,1,0,0,0,0|1,0,1]=4 5510 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [1,1,0,0,0,0|1,0,1]=4 5511 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,1,0,0,0,0|1,0,1]=4 5512 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,1,0,0,0,0|1,0,1]=4 5513 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [1,1,0,0,0,0|1,0,1]=4 5514 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [1,1,0,0,0,0|1,0,1]=4 5515 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [1,1,0,0,0,0|1,0,1]=4 5516 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,1,0,0,0,0|1,0,1]=4 5517 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,1,0,0,0,0|1,0,1]=4 5518 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,1,0,0,0,0|1,0,1]=4 5519 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,1,0,0,0,0|1,0,1]=4 5520 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,1,0,0,0,0|1,0,1]=4 5521 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,1,0,0,0,0|1,0,1]=4 5522 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,1,0,0,0,0|1,0,1]=4 5523 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,1,0,0,0,0|1,0,1]=4 5524 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,1,0,0,0,0|1,0,1]=4 5525 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,1,0,0,0,0|1,0,1]=4 5526 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,1,0,0,0,0|1,0,1]=4 5527 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,1,0,0,0,0|1,0,1]=4 5528 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,1,0,0,0,0|1,0,1]=4 5529 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,1,0,0,0,0|1,0,1]=4 5530 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,1,0,0,0,0|0,0,2]=4 5531 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [1,1,0,0,0,0|1,0,1]=4 5532 B9R0.46 C=CC(C)COC/C=C/C 34a_100011215527_100102629194 [1,1,0,0,0,0|1,0,1]=4 5533 B9R0.46 C=CC(C)COC/C=C/C 7a_100011215527_100102629194 [1,1,0,0,0,0|1,0,1]=4 5534 B9R0.46 C=CC(C)COCC=CC 34a_100011215527_100000070051 [1,1,0,0,0,0|1,0,1]=4 5535 B9R0.46 C=CC(C)COCC=CC 7a_100011215527_100000070051 [1,1,0,0,0,0|1,0,1]=4 5536 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [1,1,0,0,0,0|1,0,1]=4 5537 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [1,1,0,0,0,0|1,0,1]=4 5538 B9R0.46 C=CC(C)COCCOC 34a_100011215527_100011201679 [1,1,0,0,0,0|2,0,0]=4 5539 B9R0.46 C=CC(C)COCCOC 7a_100011215527_100000233755 [1,1,0,0,0,0|2,0,0]=4 5540 B9R0.46 C=CC(C)COCCSC 34a_100011215527_100000212216 [1,1,0,0,0,0|2,0,0]=4 5541 B9R0.46 C=CC(C)COCCSC 7a_100011215527_100000212216 [1,1,0,0,0,0|2,0,0]=4 5542 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [1,1,0,0,0,0|1,0,1]=4 5543 B9R0.46 C=CC(C)OCCCOC 34a_100000695699_100000740836 [1,1,0,0,0,0|2,0,0]=4 5544 B9R0.46 C=CC(C)SCCCC=O 62a_100011215867_200011292268 [1,1,0,0,0,0|1,0,0]=3 5545 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [1,1,0,0,0,0|1,0,1]=4 5546 B9R0.46 C=CC(C)SCCCOC 62a_100011215867_100000709357 [1,1,0,0,0,0|2,0,0]=4 5547 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [1,1,0,0,0,0|1,0,1]=4 5548 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [1,1,0,0,0,0|1,0,1]=4 5549 B9R0.46 C=CC(O)CNCCOC 2230a_100000209980_100000730141 [1,1,0,0,0,0|2,0,0]=4 5550 B9R0.46 C=CC(O)CNCCSC 2230a_100020590264_100000730141 [1,1,0,0,0,0|2,0,0]=4 5551 B9R0.46 C=CC(O)COC/C=C/C 34a_100016270725_100000730141 [1,1,0,0,0,0|1,0,1]=4 5552 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [1,1,0,0,0,0|1,0,1]=4 5553 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [1,1,0,0,0,0|1,0,1]=4 5554 B9R0.46 C=CC(O)COCCOC 34a_100000210237_100000730141 [1,1,0,0,0,0|2,0,0]=4 5555 B9R0.46 C=CC(O)COCCSC 34a_100000230434_100000730141 [1,1,0,0,0,0|2,0,0]=4 5556 B9R0.46 C=CC(O)COCCSC 7a_100000230434_100000730141 [1,1,0,0,0,0|2,0,0]=4 5557 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [1,1,0,0,0,0|1,0,1]=4 5558 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [1,1,0,0,0,0|1,0,1]=4 5559 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [1,1,0,0,0,0|1,0,1]=4 5560 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [1,1,0,0,0,0|1,0,1]=4 5561 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [1,1,0,0,0,0|1,0,1]=4 5562 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [1,1,0,0,0,0|1,0,1]=4 5563 B9R0.46 C=CC(O)CSCCOC 62a_100000233755_100000730141 [1,1,0,0,0,0|2,0,0]=4 5564 B9R0.46 C=CC(O)CSCCOC 62a_100000730141_100000233755 [1,1,0,0,0,0|2,0,0]=4 5565 B9R0.46 C=CC(O)CSCCSC 62a_100000212216_100000730141 [1,1,0,0,0,0|2,0,0]=4 5566 B9R0.46 C=CC(O)CSCCSC 62a_100000730141_100000751147 [1,1,0,0,0,0|2,0,0]=4 5567 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [1,1,0,0,0,0|0,0,2]=4 5568 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|0,0,2]=4 5569 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|0,0,2]=4 5570 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [1,1,0,0,0,0|1,0,1]=4 5571 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [1,1,0,0,0,0|1,0,1]=4 5572 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [1,1,0,0,0,0|1,0,1]=4 5573 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [1,1,0,0,0,0|1,0,1]=4 5574 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [1,1,0,0,0,0|1,0,1]=4 5575 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [1,1,0,0,0,0|1,0,1]=4 5576 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [1,1,0,0,0,0|1,0,1]=4 5577 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [1,1,0,0,0,0|1,0,1]=4 5578 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [1,1,0,0,0,0|1,0,1]=4 5579 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [1,1,0,0,0,0|1,0,1]=4 5580 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [1,1,0,0,0,0|1,0,1]=4 5581 B9R0.46 C=CCCCOC(C)C=C 34a_100000695699_100000757094 [1,1,0,0,0,0|1,0,1]=4 5582 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [1,1,0,0,0,0|1,0,1]=4 5583 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [1,1,0,0,0,0|1,0,1]=4 5584 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [1,1,0,0,0,0|1,0,1]=4 5585 B9R0.46 C=CCCCSC(C)C=C 62a_100011215867_100000757094 [1,1,0,0,0,0|1,0,1]=4 5586 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [1,1,0,0,0,0|1,0,1]=4 5587 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [1,1,0,0,0,0|1,0,1]=4 5588 B9R0.46 C=CCCCSC(C)OC 62a_100009879195_100000757094 [1,1,0,0,0,0|2,0,0]=4 5589 B9R0.46 C=CCCCSC(C)OC 62a_100011713584_100009879195 [1,1,0,0,0,0|2,0,0]=4 5590 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [1,1,0,0,0,0|1,0,1]=4 5591 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [1,1,0,0,0,0|1,0,1]=4 5592 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [1,1,0,0,0,0|1,0,1]=4 5593 B9R0.46 C=CCCNCC(O)C=C 2230a_100015191253_100000730141 [1,1,0,0,0,0|1,0,1]=4 5594 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [1,1,0,0,0,0|1,0,1]=4 5595 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [1,1,0,0,0,0|1,0,1]=4 5596 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [1,1,0,0,0,0|1,0,1]=4 5597 B9R0.46 C=CCCNC[C@@H](C)OC 2230a_100020591295_100000754431 [1,1,0,0,0,0|2,0,0]=4 5598 B9R0.46 C=CCCOCC(C)C=C 34a_100011215527_100000754431 [1,1,0,0,0,0|1,0,1]=4 5599 B9R0.46 C=CCCOCC(C)C=C 7a_100011215527_100000754431 [1,1,0,0,0,0|1,0,1]=4 5600 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [1,1,0,0,0,0|1,0,1]=4 5601 B9R0.46 C=CCCOCC(C)OC 34a_100000690652_100000754431 [1,1,0,0,0,0|2,0,0]=4 5602 B9R0.46 C=CCCOCC(O)C=C 34a_100011205117_100000730141 [1,1,0,0,0,0|1,0,1]=4 5603 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [1,1,0,0,0,0|1,0,1]=4 5604 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [1,1,0,0,0,0|1,0,1]=4 5605 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [1,1,0,0,0,0|1,0,1]=4 5606 B9R0.46 C=CCCOC[C@@H](N)C=C 34a_100016989147_100000754431 [1,1,0,0,0,0|1,0,1]=4 5607 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [1,1,0,0,0,0|1,0,1]=4 5608 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [1,1,0,0,0,0|1,0,1]=4 5609 B9R0.46 C=CCCSCC(O)C=C 62a_100000730141_100000754431 [1,1,0,0,0,0|1,0,1]=4 5610 B9R0.46 C=CCCSCC(O)C=C 62a_100000754431_100000730141 [1,1,0,0,0,0|1,0,1]=4 5611 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [1,1,0,0,0,0|1,0,1]=4 5612 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [1,1,0,0,0,0|1,0,1]=4 5613 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [1,1,0,0,0,0|1,0,1]=4 5614 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [1,1,0,0,0,0|1,0,1]=4 5615 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [1,1,0,0,0,0|1,0,1]=4 5616 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [1,1,0,0,0,0|1,0,1]=4 5617 B9R0.46 C=CCOCCC(C)OC 7a_100000764861_100015514636 [1,1,0,0,0,0|2,0,0]=4 5618 B9R0.46 C=C[C@H](N)COC/C=C/C 34a_100016989147_100102629194 [1,1,0,0,0,0|1,0,1]=4 5619 B9R0.46 C=C[C@H](N)COCC=CC 34a_100016989147_100000070051 [1,1,0,0,0,0|1,0,1]=4 5620 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|1,0,1]=4 5621 B9R0.46 C=C[C@H](N)COCCOC 34a_100016989147_100011201679 [1,1,0,0,0,0|2,0,0]=4 5622 B9R0.46 C=C[C@H](N)COCCSC 34a_100016989147_100000212216 [1,1,0,0,0,0|2,0,0]=4 5623 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,1,0,0,0,0|0,0,1]=3 5624 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [1,1,0,0,0,0|1,0,1]=4 5625 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [1,1,0,0,0,0|1,0,1]=4 5626 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [1,1,0,0,0,0|1,0,1]=4 5627 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [1,1,0,0,0,0|1,0,1]=4 5628 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [1,1,0,0,0,0|1,0,1]=4 5629 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [1,1,0,0,0,0|1,0,1]=4 5630 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [1,1,0,0,0,0|2,0,0]=4 5631 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [1,1,0,0,0,0|2,0,0]=4 5632 B9R0.1 C=CC(C)COCC(=O)N 34a_100011215527_100000187820 [1,1,0,0,0,0|2,0,0]=4 5633 B9R0.1 C=CC(C)COCC(=O)N 7a_100011215527_100000187820 [1,1,0,0,0,0|2,0,0]=4 5634 B9R0.1 C=CC(C)COCC(=O)[O-] 34a_100011215527_100020667443 [1,1,0,0,0,0|2,0,0]=4 5635 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [1,1,0,0,0,0|2,0,0]=4 5636 B9R0.1 C=CC(C)OCCC(=O)N 34a_100000695699_100000731001 [1,1,0,0,0,0|2,0,0]=4 5637 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [1,1,0,0,0,0|2,0,0]=4 5638 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [1,1,0,0,0,0|2,0,0]=4 5639 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [1,1,0,0,0,0|1,0,0]=3 5640 B9R0.1 C=CC(C)SCCC(=O)N 62a_100011215867_100000744528 [1,1,0,0,0,0|2,0,0]=4 5641 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [1,1,0,0,0,0|2,0,0]=4 5642 B9R0.1 C=CC(O)CNCC(=O)N 2230a_100000711301_100000730141 [1,1,0,0,0,0|2,0,0]=4 5643 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [1,1,0,0,0,0|2,0,0]=4 5644 B9R0.1 C=CC(O)COCC(=C)C 34a_100000210245_100000730141 [1,1,0,0,0,0|2,0,0]=4 5645 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [1,1,0,0,0,0|1,0,0]=3 5646 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [1,1,0,0,0,0|2,0,0]=4 5647 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [1,1,0,0,0,0|2,0,0]=4 5648 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [1,1,0,0,0,0|2,0,0]=4 5649 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [1,1,0,0,0,0|2,0,0]=4 5650 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100000730141_100020667443 [1,1,0,0,0,0|2,0,0]=4 5651 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100020667443_100000730141 [1,1,0,0,0,0|2,0,0]=4 5652 B9R0.1 C=C[C@H](N)COCC(=C)C 34a_100016989147_100000748629 [1,1,0,0,0,0|2,0,0]=4 5653 B9R0.1 C=C[C@H](N)COCC(=O)N 34a_100016989147_100000187820 [1,1,0,0,0,0|2,0,0]=4 5654 B9R0.1 C=C[C@H](N)COCC(=O)[O-] 34a_100016989147_100020667443 [1,1,0,0,0,0|2,0,0]=4 5655 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,1]=4 5656 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [1,1,0,0,0,0|2,0,0]=4 5657 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [1,1,0,0,0,0|2,0,0]=4 5658 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [1,1,0,0,0,0|2,0,0]=4 5659 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [1,1,0,0,0,0|2,0,0]=4 5660 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [1,1,0,0,0,0|2,0,0]=4 5661 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [1,1,0,0,0,0|2,0,0]=4 5662 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [1,1,0,0,0,0|2,0,0]=4 5663 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [1,1,0,0,0,0|2,0,0]=4 5664 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [1,1,0,0,0,0|2,0,0]=4 5665 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [1,1,0,0,0,0|2,0,0]=4 5666 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [1,1,0,0,0,0|2,0,0]=4 5667 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [1,1,0,0,0,0|2,0,0]=4 5668 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|0,0,2]=4 5669 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 5670 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 5671 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 5672 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,1,0,0,0,0|1,0,1]=4 5673 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [1,1,0,0,0,0|1,0,1]=4 5674 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,1,0,0,0,0|1,0,1]=4 5675 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,1,0,0,0,0|1,0,1]=4 5676 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,1,0,0,0,0|1,0,1]=4 5677 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,1,0,0,0,0|1,0,1]=4 5678 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,1,0,0,0,0|1,0,1]=4 5679 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [1,1,0,0,0,0|1,0,1]=4 5680 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,1,0,0,0,0|1,0,1]=4 5681 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,1,0,0,0,0|1,0,1]=4 5682 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [1,1,0,0,0,0|1,0,1]=4 5683 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [1,1,0,0,0,0|1,0,1]=4 5684 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [1,1,0,0,0,0|1,0,1]=4 5685 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [1,1,0,0,0,0|1,0,1]=4 5686 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [1,1,0,0,0,0|1,0,1]=4 5687 B9R0.4 C=CCCN(C)CC(=C)C 2230a_100000225649_100000754431 [1,1,0,0,0,0|2,0,0]=4 5688 B9R0.4 C=CCCN(C)CC(=C)C 2230a_100020639649_100000748629 [1,1,0,0,0,0|2,0,0]=4 5689 B9R0.4 C=CCCN(C)CC(=C)C 269982a_100000225649_100000754431 [1,1,0,0,0,0|2,0,0]=4 5690 B9R0.4 C=CCCN(C)CC(=C)C 269982a_100020639649_100000748629 [1,1,0,0,0,0|2,0,0]=4 5691 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100000739694_100000754431 [1,1,0,0,0,0|2,0,0]=4 5692 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100020639649_100000747473 [1,1,0,0,0,0|2,0,0]=4 5693 B9R0.4 C=CCCN(C)CC(=O)N 269982a_100020639649_100000187820 [1,1,0,0,0,0|2,0,0]=4 5694 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [1,1,0,0,0,0|2,0,0]=4 5695 B9R0.4 C=CCCN(C)CC(=O)[O-] 269982a_100020639649_100020667443 [1,1,0,0,0,0|2,0,0]=4 5696 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [1,1,0,0,0,0|1,0,1]=4 5697 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [1,1,0,0,0,0|1,0,1]=4 5698 B9R0.4 C=CCSC(C)OC(=O)C 62a_100000210623_100009818208 [1,1,0,0,0,0|2,0,0]=4 5699 B9R0.4 C=CCSC(C)OC(=O)C 62a_100009818208_100000210623 [1,1,0,0,0,0|2,0,0]=4 5700 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 5701 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 5702 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 5703 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,1,0,0,0,0|1,0,1]=4 5704 B9R0.38 C=CCCCNS(=O)(=O)C 40a_100000700776_100000738038 [1,1,0,0,0,0|2,0,0]=4 5705 B9R0.38 C=CCNCCS(=O)(=O)C 2230a_100000740961_100000210623 [1,1,0,0,0,0|2,0,0]=4 5706 B9R0.38 C=CCNCCS(=O)(=O)C 2230a_100020586998_100000731031 [1,1,0,0,0,0|2,0,0]=4 5707 B9R0.38 C=CCNCCS(=O)(=O)C 34a_100000740961_100015514636 [1,1,0,0,0,0|2,0,0]=4 5708 B9R0.38 C=CCOCCS(=O)(=O)C 34a_100000211924_100015514636 [1,1,0,0,0,0|2,0,0]=4 5709 B9R0.38 C=CCOCCS(=O)(=O)C 34a_200000210373_100000731031 [1,1,0,0,0,0|2,0,0]=4 5710 B9R0.38 C=CCOCCS(=O)(=O)C 7a_100000211924_100015514636 [1,1,0,0,0,0|2,0,0]=4 5711 B9R0.38 C=CCSCCS(=O)(=O)C 62a_100000210623_100000230027 [1,1,0,0,0,0|2,0,0]=4 5712 B9R0.38 C=CCSCCS(=O)(=O)C 62a_100000731031_100000210623 [1,1,0,0,0,0|2,0,0]=4 5713 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [1,1,0,0,0,0|1,0,1]=4 5714 B9R0.47 C=CCCNC(C)C(=C)C 269862a_100015191253_100011216138 [1,1,0,0,0,0|2,0,0]=4 5715 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [1,1,0,0,0,0|1,0,0]=3 5716 B9R0.47 C=CCCNC(C)C(=O)N 2230a_100015191253_100000702099 [1,1,0,0,0,0|2,0,0]=4 5717 B9R0.47 C=CCCNC(F)C(=O)N 2230a_100015191253_100009813875 [1,1,0,0,0,0|2,0,0]=4 5718 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [1,1,0,0,0,0|2,0,0]=4 5719 B9R0.47 C=CCCN[C@H](C)C(=O)N 2230a_100000119354_100000754431 [1,1,0,0,0,0|2,0,0]=4 5720 B9R0.47 C=CCCN[C@H](C)C(=O)N 34a_100000119354_100000754431 [1,1,0,0,0,0|2,0,0]=4 5721 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [1,1,0,0,0,0|1,0,0]=3 5722 B9R0.47 C=CCCOC(C)C(=O)N 34a_100011205117_100000702099 [1,1,0,0,0,0|2,0,0]=4 5723 B9R0.47 C=CCCOC(F)C(=O)N 34a_100011205117_100009813875 [1,1,0,0,0,0|2,0,0]=4 5724 B9R0.47 C=CCCOC(F)C(=O)[O-] 34a_100011205117_100020610796 [1,1,0,0,0,0|2,0,0]=4 5725 B9R0.47 C=CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000754431 [1,1,0,0,0,0|2,0,0]=4 5726 B9R0.47 C=CCCO[C@H](C)C(=O)N 34a_100000731257_100000754431 [1,1,0,0,0,0|2,0,0]=4 5727 B9R0.47 C=CCCO[C@H](C)C(=O)N 7a_100000731257_100000754431 [1,1,0,0,0,0|2,0,0]=4 5728 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [1,1,0,0,0,0|1,0,0]=3 5729 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [1,1,0,0,0,0|1,0,0]=3 5730 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [1,1,0,0,0,0|2,0,0]=4 5731 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [1,1,0,0,0,0|2,0,0]=4 5732 B9R0.47 C=CCCSC(F)C(=O)N 62a_100000754431_100009813875 [1,1,0,0,0,0|2,0,0]=4 5733 B9R0.47 C=CCCSC(F)C(=O)N 62a_100009813875_100000754431 [1,1,0,0,0,0|2,0,0]=4 5734 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100000754431_100020610796 [1,1,0,0,0,0|2,0,0]=4 5735 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100020610796_100000754431 [1,1,0,0,0,0|2,0,0]=4 5736 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [1,1,0,0,0,0|2,0,0]=4 5737 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [1,1,0,0,0,0|2,0,0]=4 5738 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [1,1,0,0,0,0|1,0,1]=4 5739 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [1,1,0,0,0,0|1,0,0]=3 5740 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [1,1,0,0,0,0|1,0,0]=3 5741 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [1,1,0,0,0,0|2,0,0]=4 5742 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [1,1,0,0,0,0|1,0,1]=4 5743 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [1,1,0,0,0,0|1,0,1]=4 5744 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [1,1,0,0,0,0|2,0,0]=4 5745 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [1,1,0,0,0,0|2,0,0]=4 5746 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [1,1,0,0,0,0|2,0,0]=4 5747 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [1,1,0,0,0,0|2,0,0]=4 5748 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [1,1,0,0,0,0|2,0,0]=4 5749 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [1,1,0,0,0,0|2,0,0]=4 5750 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [1,1,0,0,0,0|2,0,0]=4 5751 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [1,1,0,0,0,0|2,0,0]=4 5752 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [1,1,0,0,0,0|2,0,0]=4 5753 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [1,1,0,0,0,0|2,0,0]=4 5754 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [1,1,0,0,0,0|2,0,0]=4 5755 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [1,1,0,0,0,0|2,0,0]=4 5756 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [1,1,0,0,0,0|2,0,0]=4 5757 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [1,1,0,0,0,0|2,0,0]=4 5758 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|0,0,1]=3 5759 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|0,0,1]=3 5760 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|0,0,1]=3 5761 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 5762 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 5763 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 5764 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [1,1,0,0,0,0|1,0,1]=4 5765 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [1,1,0,0,0,0|1,0,1]=4 5766 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [1,1,0,0,0,0|1,0,1]=4 5767 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,1,0,0,0,0|1,0,1]=4 5768 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,1,0,0,0,0|1,0,1]=4 5769 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [1,1,0,0,0,0|1,0,1]=4 5770 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [1,1,0,0,0,0|1,0,1]=4 5771 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [1,1,0,0,0,0|1,0,1]=4 5772 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [1,1,0,0,0,0|1,0,1]=4 5773 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [1,1,0,0,0,0|1,0,1]=4 5774 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [1,1,0,0,0,0|1,0,1]=4 5775 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [1,1,0,0,0,0|1,0,1]=4 5776 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [1,1,0,0,0,0|1,0,1]=4 5777 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [1,1,0,0,0,0|1,0,1]=4 5778 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [1,1,0,0,0,0|1,0,1]=4 5779 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [1,1,0,0,0,0|1,0,1]=4 5780 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [1,1,0,0,0,0|1,0,1]=4 5781 B9R0.48 C=CCN(C)CCC(=C)C 2230a_100000225617_100000730704 [1,1,0,0,0,0|2,0,0]=4 5782 B9R0.48 C=CCN(C)CCC(=C)C 269982a_100000225617_100000730704 [1,1,0,0,0,0|2,0,0]=4 5783 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [1,1,0,0,0,0|1,0,0]=3 5784 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000225617_100000744528 [1,1,0,0,0,0|2,0,0]=4 5785 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000730477_100000210623 [1,1,0,0,0,0|2,0,0]=4 5786 B9R0.48 C=CCN(C)CCC(=O)N 269982a_100000225617_100000744528 [1,1,0,0,0,0|2,0,0]=4 5787 B9R0.48 C=CCN(C)COC(=O)C 269982a_100000225617_100000076356 [1,1,0,0,0,0|2,0,0]=4 5788 B9R0.48 C=CC[C@@H](C)OCC(=C)C 34a_100000731007_100000748629 [1,1,0,0,0,0|2,0,0]=4 5789 B9R0.48 C=CC[C@@H](C)OCC(=C)C 7a_100000731007_100000748629 [1,1,0,0,0,0|2,0,0]=4 5790 B9R0.48 C=CC[C@@H](C)OCC(=O)N 34a_100000731007_100000187820 [1,1,0,0,0,0|2,0,0]=4 5791 B9R0.48 C=CC[C@@H](C)OCC(=O)N 7a_100000731007_100000187820 [1,1,0,0,0,0|2,0,0]=4 5792 B9R0.48 C=CC[C@@H](C)OCC(=O)[O-] 34a_100000731007_100020667443 [1,1,0,0,0,0|2,0,0]=4 5793 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [1,1,0,0,0,0|2,0,0]=4 5794 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [1,1,0,0,0,0|2,0,0]=4 5795 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [1,1,0,0,0,0|1,0,1]=4 5796 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [1,1,0,0,0,0|1,0,1]=4 5797 B9R0.55 C=C(Br)CCOCC(=O)N 34a_100009813270_100000187820 [1,1,0,0,0,0|2,0,0]=4 5798 B9R0.55 C=C(Br)CCOCC(=O)[O-] 34a_100009813270_100020667443 [1,1,0,0,0,0|2,0,0]=4 5799 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [1,1,0,0,0,0|2,0,0]=4 5800 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,1,0,0,0,0|2,0,0]=4 5801 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000210245_100000730704 [1,1,0,0,0,0|2,0,0]=4 5802 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000764851_100000748629 [1,1,0,0,0,0|2,0,0]=4 5803 B9R0.55 C=C(C)CCOCC(=C)F 34a_100000764851_100009893438 [1,1,0,0,0,0|2,0,0]=4 5804 B9R0.55 C=C(C)CCOCC(=C)F 34a_200010262243_100000730704 [1,1,0,0,0,0|2,0,0]=4 5805 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [1,1,0,0,0,0|1,0,0]=3 5806 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [1,1,0,0,0,0|2,0,0]=4 5807 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [1,1,0,0,0,0|2,0,0]=4 5808 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000730704_100000211660 [1,1,0,0,0,0|2,0,0]=4 5809 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000748629_100000730704 [1,1,0,0,0,0|2,0,0]=4 5810 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000042424_100000730704 [1,1,0,0,0,0|2,0,0]=4 5811 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000730704_100000042424 [1,1,0,0,0,0|2,0,0]=4 5812 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [1,1,0,0,0,0|2,0,0]=4 5813 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [1,1,0,0,0,0|2,0,0]=4 5814 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [1,1,0,0,0,0|2,0,0]=4 5815 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [1,1,0,0,0,0|2,0,0]=4 5816 B9R0.55 C=C(C)COCCC(=C)Br 34a_100009813270_100000748629 [1,1,0,0,0,0|2,0,0]=4 5817 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [1,1,0,0,0,0|1,0,0]=3 5818 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [1,1,0,0,0,0|1,0,0]=3 5819 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [1,1,0,0,0,0|2,0,0]=4 5820 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [1,1,0,0,0,0|2,0,0]=4 5821 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [1,1,0,0,0,0|2,0,0]=4 5822 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [1,1,0,0,0,0|2,0,0]=4 5823 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [1,1,0,0,0,0|1,0,0]=3 5824 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [1,1,0,0,0,0|1,0,0]=3 5825 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [1,1,0,0,0,0|2,0,0]=4 5826 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [1,1,0,0,0,0|2,0,0]=4 5827 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [1,1,0,0,0,0|2,0,0]=4 5828 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [1,1,0,0,0,0|2,0,0]=4 5829 B9R0.55 C=C(F)COCCC(=O)C 34a_100000759926_100009893438 [1,1,0,0,0,0|1,0,0]=3 5830 B9R0.55 C=C(F)COCCC(=O)C 7a_100000759926_100000042424 [1,1,0,0,0,0|1,0,0]=3 5831 B9R0.55 C=C(F)COCCC(=O)N 34a_100000757172_100009893438 [1,1,0,0,0,0|2,0,0]=4 5832 B9R0.55 C=C(F)COCCC(=O)N 34a_200010262243_100000731001 [1,1,0,0,0,0|2,0,0]=4 5833 B9R0.55 C=C(F)COCCC(=O)N 7a_100000757172_100000042424 [1,1,0,0,0,0|2,0,0]=4 5834 B9R0.55 C=C(F)COCOC(=O)C 34a_200010262243_100009813279 [1,1,0,0,0,0|2,0,0]=4 5835 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [1,1,0,0,0,0|1,0,0]=3 5836 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [1,1,0,0,0,0|1,0,0]=3 5837 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [1,1,0,0,0,0|2,0,0]=4 5838 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [1,1,0,0,0,0|2,0,0]=4 5839 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000042424_100000076356 [1,1,0,0,0,0|2,0,0]=4 5840 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000076356_100000042424 [1,1,0,0,0,0|2,0,0]=4 5841 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [1,1,0,0,0,0|2,0,0]=4 5842 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,1,0,0,0,0|0,0,1]=3 5843 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|0,0,1]=3 5844 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|0,0,1]=3 5845 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,1,0,0,0,0|1,0,1]=4 5846 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [1,1,0,0,0,0|2,0,0]=4 5847 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,1,0,0,0,0|1,0,1]=4 5848 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,1,0,0,0,0|1,0,1]=4 5849 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,0,0,0,0|1,0,1]=4 5850 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [1,1,0,0,0,0|1,0,1]=4 5851 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,1,0,0,0,0|1,0,1]=4 5852 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,1,0,0,0,0|1,0,1]=4 5853 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,1,0,0,0,0|1,0,1]=4 5854 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,1,0,0,0,0|1,0,1]=4 5855 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,1,0,0,0,0|1,0,1]=4 5856 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,1,0,0,0,0|1,0,1]=4 5857 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,1,0,0,0,0|2,0,0]=4 5858 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [1,1,0,0,0,0|2,0,0]=4 5859 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [1,1,0,0,0,0|2,0,0]=4 5860 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [1,1,0,0,0,0|2,0,0]=4 5861 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [1,1,0,0,0,0|2,0,0]=4 5862 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,1,0,0,0,0|1,0,1]=4 5863 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,1,0,0,0,0|1,0,1]=4 5864 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 5865 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 5866 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [1,1,0,0,0,0|2,0,0]=4 5867 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [1,1,0,0,0,0|2,0,0]=4 5868 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [1,1,0,0,0,0|2,0,0]=4 5869 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 5870 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 5871 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [1,1,0,0,0,0|2,0,0]=4 5872 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [1,1,0,0,0,0|2,0,0]=4 5873 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [1,1,0,0,0,0|2,0,0]=4 5874 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [1,1,0,0,0,0|2,0,0]=4 5875 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [1,1,0,0,0,0|2,0,0]=4 5876 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,1,0,0,0,0|1,0,1]=4 5877 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,1,0,0,0,0|1,0,1]=4 5878 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|1,0,1]=4 5879 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|1,0,1]=4 5880 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [1,1,0,0,0,0|2,0,0]=4 5881 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [1,1,0,0,0,0|2,0,0]=4 5882 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|1,0,1]=4 5883 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|1,0,1]=4 5884 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [1,1,0,0,0,0|2,0,0]=4 5885 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,1,0,0,0,0|1,0,1]=4 5886 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,1,0,0,0,0|1,0,1]=4 5887 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [1,1,0,0,0,0|2,0,0]=4 5888 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [1,1,0,0,0,0|2,0,0]=4 5889 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,1,0,0,0,0|1,0,1]=4 5890 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 5891 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 5892 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 5893 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,1,0,0,0,0|1,0,1]=4 5894 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|0,0,1]=3 5895 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [1,1,0,0,0,0|2,0,0]=4 5896 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [1,1,0,0,0,0|2,0,0]=4 5897 B11R0.6 C=C(C)CC(=O)CCNC(=O)C 1458a_100000183196_100000748629 [0,2,0,0,0,0|1,0,1]=4 5898 B11R0.6 C=C(C)CC(=O)CCSC(=O)C 1458a_100000048949_100000748629 [0,2,0,0,0,0|1,0,1]=4 5899 B11R0.6 C=C(C)CCSC(C)OC(=O)C 62a_100000730704_100009818208 [0,2,0,0,0,0|2,0,0]=4 5900 B11R0.6 C=C(C)CCSC(C)OC(=O)C 62a_100009818208_100000730704 [0,2,0,0,0,0|2,0,0]=4 5901 B11R0.6 C=C(C)CN(C)CCCC(=O)C 269982a_100000225649_100011215641 [0,2,0,0,0,0|1,0,0]=3 5902 B11R0.6 C=C(C)CN(C)CCCC(=O)N 269982a_100000225649_100102525003 [0,2,0,0,0,0|2,0,0]=4 5903 B11R0.6 C=C(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748629 [0,2,0,0,0,0|2,0,0]=4 5904 B11R0.6 C=C(C)CN(C)CCNC(=O)C 2230a_100000225649_100000189650 [0,2,0,0,0,0|2,0,0]=4 5905 B11R0.6 C=C(C)CN(C)CCNC(=O)C 269982a_100000225649_100000189650 [0,2,0,0,0,0|2,0,0]=4 5906 B11R0.6 C=C(C)CN(C)CCOC(=O)C 269982a_100000225649_100009814007 [0,2,0,0,0,0|2,0,0]=4 5907 B11R0.6 C=C(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748629 [0,2,0,0,0,0|2,0,0]=4 5908 B11R0.6 C=C(F)CC(=O)CCNC(=O)C 1458a_100000183196_100009893438 [0,2,0,0,0,0|1,0,1]=4 5909 B11R0.6 C=C(F)CC(=O)CCSC(=O)C 1458a_100000048949_100009893438 [0,2,0,0,0,0|1,0,1]=4 5910 B11R0.6 C=C(F)CN(C)CCCC(=O)O 269956a_100000719178_100000042424 [0,2,0,0,0,0|2,0,0]=4 5911 B11R0.6 C=C(F)CNCC(O)CC(=O)O 269956a_100011218706_100000042424 [0,2,0,0,0,0|2,0,0]=4 5912 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,2,0,0,0,0|0,0,2]=4 5913 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,2,0,0,0,0|0,0,2]=4 5914 B11R0.6 CC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100011215641 [0,2,0,0,0,0|1,0,1]=4 5915 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,2,0,0,0,0|2,0,0]=4 5916 B11R0.45 C=CCC(C=C)OCCC(=C)C 34a_100000038011_100000730704 [0,2,0,0,0,0|2,0,0]=4 5917 B11R0.45 C=CCC(C=C)OCCC(=C)C 7a_100000038011_100000730704 [0,2,0,0,0,0|2,0,0]=4 5918 B11R0.45 C=CCC(C=C)OCCC(=O)C 7a_100000038011_100000053229 [0,2,0,0,0,0|1,0,0]=3 5919 B11R0.45 C=CCC(C=C)OCCC(=O)N 34a_100000038011_100000731001 [0,2,0,0,0,0|2,0,0]=4 5920 B11R0.45 C=CCC(C=C)OCCC(=O)N 7a_100000038011_100000744528 [0,2,0,0,0,0|2,0,0]=4 5921 B11R0.45 C=CCC(C=C)OCOC(=O)C 34a_100000038011_100009813279 [0,2,0,0,0,0|2,0,0]=4 5922 B11R0.45 C=CC[C@H](CO)NCCC(=C)C 2230a_100020615467_100000730704 [0,2,0,0,0,0|2,0,0]=4 5923 B11R0.45 C=CC[C@H](CO)NCCC(=O)N 2230a_100020615467_100000744528 [0,2,0,0,0,0|2,0,0]=4 5924 B11R0.59 C=CCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210623 [0,2,0,0,0,0|1,0,1]=4 5925 B11R0.59 C=CCC(C)C(=O)CCC(=C)C 1458a_100011216819_100000730704 [0,2,0,0,0,0|1,0,1]=4 5926 B11R0.59 C=CCN(C)C(C)CCC(=C)C 270004a_100000225617_100011215600 [0,2,0,0,0,0|2,0,0]=4 5927 B11R0.59 C=CCN(C)C(C)COC(=O)C 270004a_100000225617_100000000629 [0,2,0,0,0,0|2,0,0]=4 5928 B11R0.104 C=CCC(C)(C)OCCC(=C)C 7a_100011995686_100000730704 [0,2,0,0,0,0|2,0,0]=4 5929 B11R0.104 C=CCC(C)(C)OCCC(=O)C 7a_100011995686_100000053229 [0,2,0,0,0,0|1,0,0]=3 5930 B11R0.104 C=CCC(C)(C)OCCC(=O)N 7a_100011995686_100000744528 [0,2,0,0,0,0|2,0,0]=4 5931 B11R0.141 C=CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210623 [0,2,0,0,0,0|1,0,1]=4 5932 B11R0.141 C=CCC(C)COC(C)C(=O)C 7a_100009832082_100000179758 [0,2,0,0,0,0|1,0,0]=3 5933 B11R0.141 C=CCC(C)COC(C)C(=O)N 34a_100009832082_100000702099 [0,2,0,0,0,0|2,0,0]=4 5934 B11R0.141 C=CCC(C)COC(C)C(=O)N 7a_100009832082_100000702099 [0,2,0,0,0,0|2,0,0]=4 5935 B11R0.141 C=CCC(C)COC(F)C(=O)N 34a_100009832082_100009813875 [0,2,0,0,0,0|2,0,0]=4 5936 B11R0.141 C=CCC(C)COC(F)C(=O)N 7a_100009832082_100009813875 [0,2,0,0,0,0|2,0,0]=4 5937 B11R0.141 C=CCC(C)COC(F)C(=O)[O-] 34a_100009832082_100020610796 [0,2,0,0,0,0|2,0,0]=4 5938 B11R0.141 C=CC[C@@H](C)OCC(=O)C(=O)C 34a_100000731007_100011261029 [0,2,0,0,0,0|1,0,1]=4 5939 B11R0.141 C=CC[C@@H](N)COC(C)C(=O)N 34a_100020615467_100000702099 [0,2,0,0,0,0|2,0,0]=4 5940 B11R0.141 C=CC[C@@H](N)COC(F)C(=O)N 34a_100020615467_100009813875 [0,2,0,0,0,0|2,0,0]=4 5941 B11R0.141 C=CC[C@@H](N)COC(F)C(=O)[O-] 34a_100020615467_100020610796 [0,2,0,0,0,0|2,0,0]=4 5942 B11R0.145 C=CC(C)C(=O)CCCC(=O)C 1458a_100011216780_100011215641 [0,2,0,0,0,0|0,0,1]=3 5943 B11R0.145 C=CC(C)C(=O)CCCC(=O)N 1458a_100011216780_100102525003 [0,2,0,0,0,0|1,0,1]=4 5944 B11R0.145 C=CC(C)C(=O)CCNC(=O)C 1458a_100011216780_100000189650 [0,2,0,0,0,0|1,0,1]=4 5945 B11R0.145 C=CC(C)C(=O)CCOC(=O)C 1458a_100011216780_100009814007 [0,2,0,0,0,0|1,0,1]=4 5946 B11R0.145 C=CC(C)N(C)CCCC(=O)O 269956a_100000719178_100011215867 [0,2,0,0,0,0|2,0,0]=4 5947 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(=C)C 34a_100015455354_100000730704 [0,2,0,0,0,0|2,0,0]=4 5948 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(=C)C 7a_100015455354_100000730704 [0,2,0,0,0,0|2,0,0]=4 5949 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(=O)C 7a_100015455354_100000053229 [0,2,0,0,0,0|1,0,0]=3 5950 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(=O)N 34a_100015455354_100000731001 [0,2,0,0,0,0|2,0,0]=4 5951 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(=O)N 7a_100015455354_100000744528 [0,2,0,0,0,0|2,0,0]=4 5952 B11R0.145 C=C[C@@H](C)[C@@H](C)OCOC(=O)C 34a_100015455354_100009813279 [0,2,0,0,0,0|2,0,0]=4 5953 B11R0.147 C#CCCC(=O)CCCC(=O)C 1458a_100000692101_100011215641 [0,2,0,0,0,0|0,0,2]=4 5954 B11R0.147 C/C=C/CC(=O)CCNC(=O)C 1458a_100000183196_100102629194 [0,2,0,0,0,0|1,0,1]=4 5955 B11R0.147 C/C=C/CC(=O)CCSC(=O)C 1458a_100000048949_100102629194 [0,2,0,0,0,0|1,0,1]=4 5956 B11R0.147 C/C=C/CN(C)CCCC(=O)O 269956a_100000719178_100102629194 [0,2,0,0,0,0|2,0,0]=4 5957 B11R0.147 C=CC=CC(=O)CCCC(=O)C 1458a_100016291481_100011215641 [0,2,0,0,0,0|0,0,2]=4 5958 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [0,2,0,0,0,0|1,0,1]=4 5959 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [0,2,0,0,0,0|0,0,0]=2 5960 B11R0.147 C=CCCC(=O)CCCC(=O)N 1458a_100000749702_100102525003 [0,2,0,0,0,0|1,0,0]=3 5961 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,2,0,0,0,0|1,0,1]=4 5962 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,2,0,0,0,0|1,0,1]=4 5963 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,2,0,0,0,0|0,0,2]=4 5964 B11R0.147 C=CCCC(=O)CCCN(C)C 1458a_100000749702_100000695564 [0,2,0,0,0,0|2,0,0]=4 5965 B11R0.147 C=CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000754431 [0,2,0,0,0,0|2,0,0]=4 5966 B11R0.147 C=CCCC(=O)CCNC(=O)C 1458a_100000183196_100000754431 [0,2,0,0,0,0|0,0,1]=3 5967 B11R0.147 C=CCCC(=O)CCNC(=O)C 1458a_100000749702_100000189650 [0,2,0,0,0,0|0,0,1]=3 5968 B11R0.147 C=CCCC(=O)CCNC(=O)N 1458a_100000181464_100000754431 [0,2,0,0,0,0|1,0,1]=4 5969 B11R0.147 C=CCCC(=O)CCNC(=O)N 1458a_100000749702_200000034859 [0,2,0,0,0,0|1,0,1]=4 5970 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [0,2,0,0,0,0|0,0,1]=3 5971 B11R0.147 C=CCCC(=O)CCOC(=O)N 1458a_100000749702_200011214921 [0,2,0,0,0,0|1,0,1]=4 5972 B11R0.147 C=CCCC(=O)CCSC(=O)C 1458a_100000048949_100000754431 [0,2,0,0,0,0|0,0,1]=3 5973 B11R0.147 C=CCCC(=O)COCC(=O)N 1458a_100011219004_100000754431 [0,2,0,0,0,0|1,0,1]=4 5974 B11R0.147 C=CCCC(=O)NCCC(=O)N 11a_100000740010_100000749702 [0,2,0,0,0,0|1,0,1]=4 5975 B11R0.147 C=CCCC(=O)NCCC(=O)N 240690a_100000740010_100000749702 [0,2,0,0,0,0|1,0,1]=4 5976 B11R0.147 C=CCCC(=O)NCCC(=O)N 527a_100000740010_100000749702 [0,2,0,0,0,0|1,0,1]=4 5977 B11R0.147 C=CCCC(C)NCC=C(C)C 270004a_100000718196_100000762624 [0,2,0,0,0,0|1,0,1]=4 5978 B11R0.147 C=CCCC(C)NCCC(C)C 270004a_100000210545_100000762624 [0,2,0,0,0,0|1,0,1]=4 5979 B11R0.147 C=CCCC(C)NCCC(C)O 270004a_200000755665_100000762624 [0,2,0,0,0,0|0,0,2]=4 5980 B11R0.147 C=CCCC(C)NCCN(C)C 270004a_100000210585_100000762624 [0,2,0,0,0,0|2,0,0]=4 5981 B11R0.147 C=CCCC(C)OCC=C(C)C 34a_100000765329_100000761012 [0,2,0,0,0,0|1,0,1]=4 5982 B11R0.147 C=CCCC(C)OCC=C(C)C 7a_100000765329_100000761012 [0,2,0,0,0,0|1,0,1]=4 5983 B11R0.147 C=CCCC(C)OCCC(=C)C 34a_100000765329_100000730704 [0,2,0,0,0,0|1,0,0]=3 5984 B11R0.147 C=CCCC(C)OCCC(=C)C 7a_100000765329_100000730704 [0,2,0,0,0,0|1,0,0]=3 5985 B11R0.147 C=CCCC(C)OCCC(=O)C 7a_100000765329_100000053229 [0,2,0,0,0,0|0,0,0]=2 5986 B11R0.147 C=CCCC(C)OCCC(=O)N 34a_100000765329_100000731001 [0,2,0,0,0,0|1,0,0]=3 5987 B11R0.147 C=CCCC(C)OCCC(=O)N 7a_100000765329_100000744528 [0,2,0,0,0,0|1,0,0]=3 5988 B11R0.147 C=CCCC(C)OCCC(C)C 34a_100000765329_100000210312 [0,2,0,0,0,0|1,0,1]=4 5989 B11R0.147 C=CCCC(C)OCCC(C)C 7a_100000765329_100000210626 [0,2,0,0,0,0|1,0,1]=4 5990 B11R0.147 C=CCCC(C)OCCC(C)O 34a_100000765329_100012276601 [0,2,0,0,0,0|0,0,2]=4 5991 B11R0.147 C=CCCC(C)OCCC(C)O 7a_100000765329_100012276601 [0,2,0,0,0,0|0,0,2]=4 5992 B11R0.147 C=CCCC(C)OCCN(C)C 7a_100000765329_100000755713 [0,2,0,0,0,0|2,0,0]=4 5993 B11R0.147 C=CCCC(C)OCOC(=O)C 34a_100000765329_100009813279 [0,2,0,0,0,0|1,0,0]=3 5994 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [0,2,0,0,0,0|1,0,1]=4 5995 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [0,2,0,0,0,0|1,0,1]=4 5996 B11R0.147 C=CCCN(C)CCCC(=O)C 269982a_100020639649_100011215641 [0,2,0,0,0,0|0,0,0]=2 5997 B11R0.147 C=CCCN(C)CCCC(=O)N 269982a_100020639649_100102525003 [0,2,0,0,0,0|1,0,0]=3 5998 B11R0.147 C=CCCN(C)CCCC(=O)O 269956a_100000719178_100000754431 [0,2,0,0,0,0|1,0,0]=3 5999 B11R0.147 C=CCCN(C)CCCC(C)C 2230a_100020639649_100011214892 [0,2,0,0,0,0|1,0,1]=4 6000 B11R0.147 C=CCCN(C)CCCC(C)C 269982a_100020639649_100011214892 [0,2,0,0,0,0|1,0,1]=4 6001 B11R0.147 C=CCCN(C)CCCC(C)O 2230a_100020639649_200000718107 [0,2,0,0,0,0|0,0,2]=4 6002 B11R0.147 C=CCCN(C)CCCC(C)O 269982a_100020639649_200000718107 [0,2,0,0,0,0|0,0,2]=4 6003 B11R0.147 C=CCCN(C)CCCN(C)C 269982a_100000225831_100000754431 [0,2,0,0,0,0|2,0,0]=4 6004 B11R0.147 C=CCCN(C)CCCN(C)C 269982a_100020639649_100000757444 [0,2,0,0,0,0|2,0,0]=4 6005 B11R0.147 C=CCCN(C)CCNC(=O)C 2230a_100020639649_100000189650 [0,2,0,0,0,0|1,0,0]=3 6006 B11R0.147 C=CCCN(C)CCNC(=O)C 269982a_100020639649_100000189650 [0,2,0,0,0,0|1,0,0]=3 6007 B11R0.147 C=CCCN(C)CCNC(=O)N 2230a_100020639649_200000034859 [0,2,0,0,0,0|2,0,0]=4 6008 B11R0.147 C=CCCN(C)CCNC(=O)N 269982a_100020639649_200000034859 [0,2,0,0,0,0|2,0,0]=4 6009 B11R0.147 C=CCCN(C)CCOC(=O)C 269982a_100020639649_100009814007 [0,2,0,0,0,0|1,0,0]=3 6010 B11R0.147 C=CCCN(C)CCOC(=O)N 269982a_100020639649_200011214921 [0,2,0,0,0,0|2,0,0]=4 6011 B11R0.147 C=CCNC(=O)CCNC(=O)C 1626a_100020586998_100000183196 [0,2,0,0,0,0|1,0,1]=4 6012 B11R0.147 C=CCNC(=O)CCNC(=O)C 240690a_100020586998_100000183196 [0,2,0,0,0,0|1,0,1]=4 6013 B11R0.147 C=CCNC(=O)CCNC(=O)C 527a_100020586998_100000183196 [0,2,0,0,0,0|1,0,1]=4 6014 B11R0.147 C=CCNC(=O)CCSC(=O)C 1626a_100020586998_100000048949 [0,2,0,0,0,0|1,0,1]=4 6015 B11R0.147 C=CCNC(=O)CCSC(=O)C 240690a_100020586998_100000048949 [0,2,0,0,0,0|1,0,1]=4 6016 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [0,2,0,0,0,0|1,0,1]=4 6017 B11R0.147 C=CCNC(C)CCCC(C)C 2230a_100000210607_100000210623 [0,2,0,0,0,0|1,0,1]=4 6018 B11R0.147 C=CCNC(C)CCCC(C)C 270004a_100020586998_100000753411 [0,2,0,0,0,0|1,0,1]=4 6019 B11R0.147 C=CCOC(=O)COCC(=O)C 34a_100000211253_100000033060 [0,2,0,0,0,0|1,0,1]=4 6020 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [0,2,0,0,0,0|1,0,1]=4 6021 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [0,2,0,0,0,0|1,0,1]=4 6022 B11R0.147 C=CCOC(C)CCCC(=O)[O-] 7a_100000761597_100015514636 [0,2,0,0,0,0|1,0,0]=3 6023 B11R0.147 C=CCOC(C)CCCC(C)C 34a_200011218570_100015514636 [0,2,0,0,0,0|1,0,1]=4 6024 B11R0.147 C=CCOC(C)CCCC(C)C 7a_200011218570_100015514636 [0,2,0,0,0,0|1,0,1]=4 6025 B11R0.147 CC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011215641 [0,2,0,0,0,0|1,0,1]=4 6026 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,2,0,0,0,0|1,0,1]=4 6027 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [0,2,0,0,0,0|1,0,1]=4 6028 B11R0.147 CC(CCCC(=O)[O-])OCC=O 7a_100000761597_200015260668 [0,2,0,0,0,0|2,0,0]=4 6029 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [0,2,0,0,0,0|0,0,1]=3 6030 B11R0.147 CC=CCC(=O)CCCC(=O)N 1458a_100121576822_100102525003 [0,2,0,0,0,0|1,0,1]=4 6031 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100000183196_100000070051 [0,2,0,0,0,0|1,0,1]=4 6032 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100121576822_100000189650 [0,2,0,0,0,0|1,0,1]=4 6033 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [0,2,0,0,0,0|1,0,1]=4 6034 B11R0.147 CC=CCC(=O)CCSC(=O)C 1458a_100000048949_100000070051 [0,2,0,0,0,0|1,0,1]=4 6035 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|0,0,2]=4 6036 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,2,0,0,0,0|0,0,2]=4 6037 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,2,0,0,0,0|0,0,2]=4 6038 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,2,0,0,0,0|0,0,2]=4 6039 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,2,0,0,0,0|0,0,2]=4 6040 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,2,0,0,0,0|0,0,2]=4 6041 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,2,0,0,0,0|0,0,2]=4 6042 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,2,0,0,0,0|1,0,1]=4 6043 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,2,0,0,0,0|1,0,1]=4 6044 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,2,0,0,0,0|1,0,1]=4 6045 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [0,2,0,0,0,0|1,0,1]=4 6046 B11R0.174 C=CCC(=O)CCCC(=O)NC 1458a_100000210193_100000741757 [0,2,0,0,0,0|0,0,1]=3 6047 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000210193_100011218270 [0,2,0,0,0,0|0,0,1]=3 6048 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210623 [0,2,0,0,0,0|0,0,1]=3 6049 B11R0.174 C=CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210623 [0,2,0,0,0,0|1,0,1]=4 6050 B11R0.174 C=CCC(=O)CCOC(=O)NC 1458a_100000210193_200011997002 [0,2,0,0,0,0|1,0,1]=4 6051 B11R0.174 C=CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210623 [0,2,0,0,0,0|1,0,1]=4 6052 B11R0.174 C=CCC(=O)NCCC(=O)NC 11a_100000738227_100000210193 [0,2,0,0,0,0|1,0,1]=4 6053 B11R0.174 C=CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210193 [0,2,0,0,0,0|1,0,1]=4 6054 B11R0.174 C=CCC(=O)NCCC(=O)NC 527a_100000738227_100000210193 [0,2,0,0,0,0|1,0,1]=4 6055 B11R0.174 C=CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210193 [0,2,0,0,0,0|1,0,1]=4 6056 B11R0.174 C=CCC(C)COCC(=O)CC 7a_100009832082_100000747405 [0,2,0,0,0,0|1,0,0]=3 6057 B11R0.174 C=CCC(C)COCC(=O)NC 34a_100009832082_100000183359 [0,2,0,0,0,0|1,0,0]=3 6058 B11R0.174 C=CCC(C)COCC(=O)NC 7a_100009832082_100000183359 [0,2,0,0,0,0|1,0,0]=3 6059 B11R0.174 C=CCC(C)COCC(=O)OC 34a_100009832082_100000747449 [0,2,0,0,0,0|1,0,0]=3 6060 B11R0.174 C=CCC(C)COCC(=O)OC 7a_100009832082_100000747449 [0,2,0,0,0,0|1,0,0]=3 6061 B11R0.174 C=CCN(C)CCCC(=O)NC 2230a_100000225617_100000741757 [0,2,0,0,0,0|1,0,0]=3 6062 B11R0.174 C=CCN(C)CCCC(=O)NC 269982a_100000225617_100000741757 [0,2,0,0,0,0|1,0,0]=3 6063 B11R0.174 C=CCN(C)CCCC(=O)OC 2230a_100000225617_100011218270 [0,2,0,0,0,0|1,0,0]=3 6064 B11R0.174 C=CCN(C)CCCC(=O)OC 269982a_100000225617_100011218270 [0,2,0,0,0,0|1,0,0]=3 6065 B11R0.174 C=CCN(C)CCCC(=O)OC 269982a_100000739225_100000210623 [0,2,0,0,0,0|1,0,0]=3 6066 B11R0.174 C=CCN(C)CCOC(=O)NC 269982a_100000225617_200011997002 [0,2,0,0,0,0|2,0,0]=4 6067 B11R0.174 C=CC[C@@H](C)OCCC(=O)NC 34a_100000731007_100012179268 [0,2,0,0,0,0|1,0,0]=3 6068 B11R0.174 C=CC[C@@H](C)OCCC(=O)NC 7a_100000731007_100000737683 [0,2,0,0,0,0|1,0,0]=3 6069 B11R0.174 C=CC[C@@H](C)OCCC(=O)OC 34a_100000731007_100000742370 [0,2,0,0,0,0|1,0,0]=3 6070 B11R0.174 C=CC[C@@H](C)OCCC(=O)OC 7a_100000731007_100000204255 [0,2,0,0,0,0|1,0,0]=3 6071 B11R0.174 C=CC[C@@H](N)COCC(=O)NC 34a_100020615467_100000183359 [0,2,0,0,0,0|1,0,0]=3 6072 B11R0.174 C=CC[C@@H](N)COCC(=O)OC 34a_100020615467_100000747449 [0,2,0,0,0,0|1,0,0]=3 6073 B11R0.174 COC(=O)CCCN(C)CC=O 269982a_100000739225_200015260668 [0,2,0,0,0,0|2,0,0]=4 6074 B11R0.180 C=CCC(=O)CCCS(=O)(=O)C 1458a_100000210193_100000754308 [0,2,0,0,0,0|1,0,1]=4 6075 B11R0.180 C=CCN(C)CCCS(=O)(=O)C 2230a_100000225617_100000754308 [0,2,0,0,0,0|2,0,0]=4 6076 B11R0.180 C=CCN(C)CCCS(=O)(=O)C 269982a_100000225617_100000754308 [0,2,0,0,0,0|2,0,0]=4 6077 B11R0.180 C=CC[C@@H](C)OCCS(=O)(=O)C 34a_100000731007_100000731031 [0,2,0,0,0,0|2,0,0]=4 6078 B11R0.180 C=CC[C@@H](C)OCCS(=O)(=O)C 7a_100000731007_100000230027 [0,2,0,0,0,0|2,0,0]=4 6079 B11R0.2 C/C=C/CNCC(O)CC(=O)O 269956a_100011218706_100102629194 [0,2,0,0,0,0|2,0,0]=4 6080 B11R0.2 C=C(C)CN(C)CCCCC=O 2230a_100000225649_100000139335 [0,2,0,0,0,0|2,0,0]=4 6081 B11R0.2 C=C(C)CN(C)CCCCC=O 269982a_100000225649_100000139335 [0,2,0,0,0,0|2,0,0]=4 6082 B11R0.2 C=CCCCCC(=O)C=C(C)C 1458a_100000211388_100011215482 [0,2,0,0,0,0|1,0,1]=4 6083 B11R0.2 C=CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011215482 [0,2,0,0,0,0|1,0,1]=4 6084 B11R0.2 C=CCCCCC(=O)C=C(C)I 1458a_100025716642_100011215482 [0,2,0,0,0,0|1,0,1]=4 6085 B11R0.2 C=CCCCCC(=O)CC(=C)C 1458a_100011215552_100000748629 [0,2,0,0,0,0|1,0,0]=3 6086 B11R0.2 C=CCCCCC(=O)CC(=C)F 1458a_100011215552_100009893438 [0,2,0,0,0,0|1,0,1]=4 6087 B11R0.2 C=CCCCCC(=O)CC(=O)N 1458a_100011215552_100000187820 [0,2,0,0,0,0|1,0,0]=3 6088 B11R0.2 C=CCCCCC(=O)CC(=O)N 1458a_100134613110_100011215482 [0,2,0,0,0,0|1,0,0]=3 6089 B11R0.2 C=CCCCCC(=O)CC(=O)[O-] 1458a_100011215552_100020667443 [0,2,0,0,0,0|1,0,0]=3 6090 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,2,0,0,0,0|1,0,1]=4 6091 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,2,0,0,0,0|1,0,1]=4 6092 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,2,0,0,0,0|0,0,2]=4 6093 B11R0.2 C=CCCCCC(=O)CN(C)C 1458a_100000750896_100011215482 [0,2,0,0,0,0|2,0,0]=4 6094 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,2,0,0,0,0|0,0,2]=4 6095 B11R0.2 C=CCCCCC(=O)C[N+](=O)[O-] 1458a_100011215552_100000761209 [0,2,0,0,0,0|2,0,0]=4 6096 B11R0.2 C=CCCCCC(=O)C[S+](C)C 1458a_200159257847_100011215482 [0,2,0,0,0,0|2,0,0]=4 6097 B11R0.2 C=CCCCCN(C)CC(=C)C 2230a_100000225649_100011215482 [0,2,0,0,0,0|1,0,0]=3 6098 B11R0.2 C=CCCCCN(C)CC(=C)C 2230a_100012000471_100000748629 [0,2,0,0,0,0|1,0,0]=3 6099 B11R0.2 C=CCCCCN(C)CC(=C)C 269982a_100000225649_100011215482 [0,2,0,0,0,0|1,0,0]=3 6100 B11R0.2 C=CCCCCN(C)CC(=C)C 269982a_100012000471_100000748629 [0,2,0,0,0,0|1,0,0]=3 6101 B11R0.2 C=CCCCCN(C)CC(=C)F 2230a_100012000471_100009893438 [0,2,0,0,0,0|1,0,1]=4 6102 B11R0.2 C=CCCCCN(C)CC(=C)F 269982a_100012000471_100009893438 [0,2,0,0,0,0|1,0,1]=4 6103 B11R0.2 C=CCCCCN(C)CC(=O)N 2230a_100000739694_100011215482 [0,2,0,0,0,0|1,0,0]=3 6104 B11R0.2 C=CCCCCN(C)CC(=O)N 2230a_100012000471_100000747473 [0,2,0,0,0,0|1,0,0]=3 6105 B11R0.2 C=CCCCCN(C)CC(=O)N 269982a_100012000471_100000187820 [0,2,0,0,0,0|1,0,0]=3 6106 B11R0.2 C=CCCCCN(C)CC(=O)O 269956a_100000746989_100011215482 [0,2,0,0,0,0|1,0,0]=3 6107 B11R0.2 C=CCCCCN(C)CC(=O)[O-] 269982a_100012000471_100020667443 [0,2,0,0,0,0|1,0,0]=3 6108 B11R0.2 C=CCCCCN(C)CC(C)C 2230a_100000747067_100011215482 [0,2,0,0,0,0|1,0,1]=4 6109 B11R0.2 C=CCCCCN(C)CC(C)C 2230a_100012000471_100000210760 [0,2,0,0,0,0|1,0,1]=4 6110 B11R0.2 C=CCCCCN(C)CC(C)C 269982a_100000747067_100011215482 [0,2,0,0,0,0|1,0,1]=4 6111 B11R0.2 C=CCCCCN(C)CC(C)C 269982a_100012000471_100000210624 [0,2,0,0,0,0|1,0,1]=4 6112 B11R0.2 C=CCCCCN(C)CC(C)C 270004a_100012000471_100000210432 [0,2,0,0,0,0|1,0,1]=4 6113 B11R0.2 C=CCCCCN(C)CC(C)O 2230a_100000227577_100011215482 [0,2,0,0,0,0|0,0,2]=4 6114 B11R0.2 C=CCCCCN(C)CC(C)O 2230a_100012000471_100011218427 [0,2,0,0,0,0|0,0,2]=4 6115 B11R0.2 C=CCCCCN(C)CC(C)O 269982a_100000227577_100011215482 [0,2,0,0,0,0|0,0,2]=4 6116 B11R0.2 C=CCCCCN(C)CC(C)O 269982a_100012000471_100011218427 [0,2,0,0,0,0|0,0,2]=4 6117 B11R0.2 C=CCCCCN(C)C[C@@H](C)O 2230a_100012000471_100009817552 [0,2,0,0,0,0|0,0,2]=4 6118 B11R0.2 C=CCCCCN(C)C[C@@H](C)O 269982a_100012000471_100009817552 [0,2,0,0,0,0|0,0,2]=4 6119 B11R0.2 C=CCCCCN(C)C[N+](=O)[O-] 269982a_100012000471_100000761209 [0,2,0,0,0,0|2,0,0]=4 6120 B11R0.2 C=CCCCNC(=O)CC(=O)N 240690a_100000700776_100134613110 [0,2,0,0,0,0|1,0,1]=4 6121 B11R0.2 C=CCCCNC(=O)CC(=O)N 527a_100000700776_100134613110 [0,2,0,0,0,0|1,0,1]=4 6122 B11R0.2 C=CCCCNC(C)CC(C)C 2230a_100000692259_100011713584 [0,2,0,0,0,0|1,0,1]=4 6123 B11R0.2 C=CCCCNC(C)CC(C)C 2230a_100000700776_100000731052 [0,2,0,0,0,0|1,0,1]=4 6124 B11R0.2 C=CCCCNC(C)CC(C)C 34a_100000700776_100000731052 [0,2,0,0,0,0|1,0,1]=4 6125 B11R0.2 C=CCCCOC(C)C=C(C)C 34a_100000717055_100000757094 [0,2,0,0,0,0|1,0,1]=4 6126 B11R0.2 C=CCCCOC(C)CC(C)C 34a_100000211805_100000757094 [0,2,0,0,0,0|1,0,1]=4 6127 B11R0.2 C=CCCCOC(C)CC(C)C 34a_100000758997_100000731052 [0,2,0,0,0,0|1,0,1]=4 6128 B11R0.2 C=CCCCOC(C)CC(C)C 7a_100000211805_100000757094 [0,2,0,0,0,0|1,0,1]=4 6129 B11R0.2 C=CCCCOC(C)CC(C)C 7a_100000758997_100000731052 [0,2,0,0,0,0|1,0,1]=4 6130 B11R0.2 C=CCCCSC(C)CC(C)C 62a_100000731052_100000757094 [0,2,0,0,0,0|1,0,1]=4 6131 B11R0.2 C=CCCCSC(C)CC(C)C 62a_100011713584_100000731052 [0,2,0,0,0,0|1,0,1]=4 6132 B11R0.2 C=CCCCSC(C)CN(C)C 62a_100011713584_100020606517 [0,2,0,0,0,0|2,0,0]=4 6133 B11R0.2 C=CCCCSC(C)CN(C)C 62a_100020606517_100000757094 [0,2,0,0,0,0|2,0,0]=4 6134 B11R0.2 C=CCCCSC(C)OC(=O)C 62a_100009818208_100000757094 [0,2,0,0,0,0|1,0,0]=3 6135 B11R0.2 C=CCCCSC(C)OC(=O)C 62a_100011713584_100009818208 [0,2,0,0,0,0|1,0,0]=3 6136 B11R0.2 C=CCCNCC(C)CN(C)C 2230a_100015191253_100015348159 [0,2,0,0,0,0|2,0,0]=4 6137 B11R0.2 C=CCCNCC(O)CC(=O)O 269956a_100011218706_100000754431 [0,2,0,0,0,0|1,0,0]=3 6138 B11R0.2 C=CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000754431 [0,2,0,0,0,0|1,0,1]=4 6139 B11R0.2 C=CCCSCC(=O)NC(=O)C 62a_100000754431_100000183797 [0,2,0,0,0,0|1,0,1]=4 6140 B11R0.2 C=CCCSCC(C)CN(C)C 62a_100000754431_100015348159 [0,2,0,0,0,0|2,0,0]=4 6141 B11R0.2 C=CCCSCC(C)CN(C)C 62a_100015348159_100000754431 [0,2,0,0,0,0|2,0,0]=4 6142 B11R0.2 C=CCOCCC(=O)CC(=C)C 1458a_200011217002_100000748629 [0,2,0,0,0,0|1,0,1]=4 6143 B11R0.2 C=CCOCCC(=O)CC(=O)N 1458a_200011217002_100000187820 [0,2,0,0,0,0|1,0,1]=4 6144 B11R0.2 C=CCOCCC(=O)CC(=O)[O-] 1458a_200011217002_100020667443 [0,2,0,0,0,0|1,0,1]=4 6145 B11R0.2 C=CCOCC[C@@H](N)CC(C)C 34a_100161151251_100015514636 [0,2,0,0,0,0|1,0,1]=4 6146 B11R0.2 C=COCCSC(C)OC(=O)C 62a_100000039644_100009818208 [0,2,0,0,0,0|2,0,0]=4 6147 B11R0.2 C=COCCSC(C)OC(=O)C 62a_100009818208_100000039644 [0,2,0,0,0,0|2,0,0]=4 6148 B11R0.2 CC(=O)OC(C)SCCCC=O 62a_100009818208_200011292268 [0,2,0,0,0,0|2,0,0]=4 6149 B11R0.2 CC(=O)OC(C)SCCCC=O 62a_200011292268_100009818208 [0,2,0,0,0,0|2,0,0]=4 6150 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,2,0,0,0,0|0,0,2]=4 6151 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,2,0,0,0,0|0,0,2]=4 6152 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,2,0,0,0,0|0,0,2]=4 6153 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,2,0,0,0,0|0,0,2]=4 6154 B11R0.2 CN(CCCCC=O)CC(=O)N 2230a_100000739694_100000139335 [0,2,0,0,0,0|2,0,0]=4 6155 B11R0.2 CN(CCCCC=O)CC(=O)O 269956a_100000746989_100000139335 [0,2,0,0,0,0|2,0,0]=4 6156 B11R0.30 C=C(Br)CCOCCC=C(C)C 34a_100009813270_100011217483 [0,2,0,0,0,0|1,0,1]=4 6157 B11R0.30 C=C(Br)CCOCCCC(=O)C 34a_100009813270_100000685027 [0,2,0,0,0,0|0,0,0]=2 6158 B11R0.30 C=C(Br)CCOCCCC(=O)N 34a_100009813270_100102525003 [0,2,0,0,0,0|1,0,0]=3 6159 B11R0.30 C=C(Br)CCOCCCC(C)C 34a_100009813270_100011214892 [0,2,0,0,0,0|1,0,1]=4 6160 B11R0.30 C=C(Br)CCOCCCC(C)O 34a_100009813270_200000718107 [0,2,0,0,0,0|0,0,2]=4 6161 B11R0.30 C=C(Br)CCOCCOC(=O)C 34a_100009813270_100009814007 [0,2,0,0,0,0|1,0,0]=3 6162 B11R0.30 C=C(Br)CCOCCOC(=O)N 34a_100009813270_200011214921 [0,2,0,0,0,0|2,0,0]=4 6163 B11R0.30 C=C(C)CCNCCCC(=O)N 34a_100000739312_100000730704 [0,2,0,0,0,0|1,0,0]=3 6164 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [0,2,0,0,0,0|1,0,1]=4 6165 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [0,2,0,0,0,0|1,0,1]=4 6166 B11R0.30 C=C(C)CCNCCCS(=O)C 2230a_200000753449_100000730704 [0,2,0,0,0,0|1,0,0]=3 6167 B11R0.30 C=C(C)CCNCCNC(=O)C 2230a_100000209853_100000730704 [0,2,0,0,0,0|1,0,0]=3 6168 B11R0.30 C=C(C)CCNCCNC(=O)N 34a_100020590234_100000730704 [0,2,0,0,0,0|2,0,0]=4 6169 B11R0.30 C=C(C)CCOCCC=C(C)C 34a_100000764851_100011217483 [0,2,0,0,0,0|1,0,1]=4 6170 B11R0.30 C=C(C)CCOCCC=C(F)F 34a_100000764851_200009816681 [0,2,0,0,0,0|2,0,0]=4 6171 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [0,2,0,0,0,0|0,0,0]=2 6172 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [0,2,0,0,0,0|0,0,0]=2 6173 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [0,2,0,0,0,0|0,0,0]=2 6174 B11R0.30 C=C(C)CCOCCCC(=O)N 34a_100000764851_100102525003 [0,2,0,0,0,0|1,0,0]=3 6175 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [0,2,0,0,0,0|1,0,1]=4 6176 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [0,2,0,0,0,0|1,0,1]=4 6177 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [0,2,0,0,0,0|1,0,1]=4 6178 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [0,2,0,0,0,0|0,0,2]=4 6179 B11R0.30 C=C(C)CCOCCC[N+](=O)[O-] 34a_200000037920_100000730704 [0,2,0,0,0,0|2,0,0]=4 6180 B11R0.30 C=C(C)CCOCCNC(=O)C 34a_100000158858_100000730704 [0,2,0,0,0,0|1,0,0]=3 6181 B11R0.30 C=C(C)CCOCCNC(=O)N 34a_100000181757_100000730704 [0,2,0,0,0,0|2,0,0]=4 6182 B11R0.30 C=C(C)CCOCCOC(=O)C 34a_100000764851_100009814007 [0,2,0,0,0,0|1,0,0]=3 6183 B11R0.30 C=C(C)CCOCCOC(=O)N 34a_100000764851_200011214921 [0,2,0,0,0,0|2,0,0]=4 6184 B11R0.30 C=C(C)CCOCCOC(=O)N 7a_100000766696_100000730704 [0,2,0,0,0,0|2,0,0]=4 6185 B11R0.30 C=C(C)CCSCCC=C(C)C 62a_100000730704_100011217483 [0,2,0,0,0,0|1,0,1]=4 6186 B11R0.30 C=C(C)CCSCCC=C(C)C 62a_100011217483_100000730704 [0,2,0,0,0,0|1,0,1]=4 6187 B11R0.30 C=C(C)CCSCCC=C(F)F 62a_100000730704_200009816681 [0,2,0,0,0,0|2,0,0]=4 6188 B11R0.30 C=C(C)CCSCCC=C(F)F 62a_200009816681_100000730704 [0,2,0,0,0,0|2,0,0]=4 6189 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [0,2,0,0,0,0|0,0,0]=2 6190 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [0,2,0,0,0,0|0,0,0]=2 6191 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100000730704_100102525003 [0,2,0,0,0,0|1,0,0]=3 6192 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100102525003_100000730704 [0,2,0,0,0,0|1,0,0]=3 6193 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [0,2,0,0,0,0|1,0,1]=4 6194 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [0,2,0,0,0,0|1,0,1]=4 6195 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [0,2,0,0,0,0|0,0,2]=4 6196 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [0,2,0,0,0,0|0,0,2]=4 6197 B11R0.30 C=C(C)CCSCCCN(C)C 62a_100000730704_100000757444 [0,2,0,0,0,0|2,0,0]=4 6198 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000189650_100000730704 [0,2,0,0,0,0|1,0,0]=3 6199 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000730704_100000189650 [0,2,0,0,0,0|1,0,0]=3 6200 B11R0.30 C=C(C)CCSCCNC(=O)N 62a_100000730704_200000034859 [0,2,0,0,0,0|2,0,0]=4 6201 B11R0.30 C=C(C)CCSCCNC(=O)N 62a_200000034859_100000730704 [0,2,0,0,0,0|2,0,0]=4 6202 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100000730704_100009814007 [0,2,0,0,0,0|1,0,0]=3 6203 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100009814007_100000730704 [0,2,0,0,0,0|1,0,0]=3 6204 B11R0.30 C=C(C)CCSCCOC(=O)N 62a_100000730704_200011214921 [0,2,0,0,0,0|2,0,0]=4 6205 B11R0.30 C=C(C)CCSCCOC(=O)N 62a_200011214921_100000730704 [0,2,0,0,0,0|2,0,0]=4 6206 B11R0.30 C=C(C)CNCCCCC(=O)N 34a_100000696515_100000748629 [0,2,0,0,0,0|1,0,0]=3 6207 B11R0.30 C=C(C)CNCCCNC(=O)C 34a_100000736810_100000748629 [0,2,0,0,0,0|1,0,0]=3 6208 B11R0.30 C=C(C)CNCCOCC(=O)O 269956a_100000700818_100000748629 [0,2,0,0,0,0|2,0,0]=4 6209 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [0,2,0,0,0,0|0,0,0]=2 6210 B11R0.30 C=C(C)COCCCCC(=O)N 34a_100012022536_100000748629 [0,2,0,0,0,0|1,0,0]=3 6211 B11R0.30 C=C(C)COCCCCC(=O)N 7a_100012022536_100000748629 [0,2,0,0,0,0|1,0,0]=3 6212 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [0,2,0,0,0,0|1,0,1]=4 6213 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [0,2,0,0,0,0|1,0,1]=4 6214 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [0,2,0,0,0,0|1,0,1]=4 6215 B11R0.30 C=C(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000748629 [0,2,0,0,0,0|2,0,0]=4 6216 B11R0.30 C=C(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000748629 [0,2,0,0,0,0|2,0,0]=4 6217 B11R0.30 C=C(C)COCCCNC(=O)C 34a_100000752032_100000748629 [0,2,0,0,0,0|1,0,0]=3 6218 B11R0.30 C=C(C)COCCCOC(=O)C 34a_100000210245_100000042594 [0,2,0,0,0,0|1,0,0]=3 6219 B11R0.30 C=C(C)COCCCOC(=S)C 34a_100000210245_200135323944 [0,2,0,0,0,0|1,1,0]=4 6220 B11R0.30 C=C(C)COCCCSC(=O)C 34a_100000210245_100000038929 [0,2,0,0,0,0|1,0,0]=3 6221 B11R0.30 C=C(C)COCCOCC(=O)N 34a_100000210245_100000076697 [0,2,0,0,0,0|2,0,0]=4 6222 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [0,2,0,0,0,0|0,0,0]=2 6223 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [0,2,0,0,0,0|0,0,0]=2 6224 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [0,2,0,0,0,0|1,0,1]=4 6225 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [0,2,0,0,0,0|1,0,1]=4 6226 B11R0.30 C=C(C)CSCCCCN(C)C 62a_100000748629_100000690147 [0,2,0,0,0,0|2,0,0]=4 6227 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000042594_100000211660 [0,2,0,0,0,0|1,0,0]=3 6228 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000748629_100000042594 [0,2,0,0,0,0|1,0,0]=3 6229 B11R0.30 C=C(C)CSCCCOC(=S)C 62a_100000748629_200135323944 [0,2,0,0,0,0|1,1,0]=4 6230 B11R0.30 C=C(C)CSCCCOC(=S)C 62a_200135323944_100000211660 [0,2,0,0,0,0|1,1,0]=4 6231 B11R0.30 C=C(C)CSCCCSC(=O)C 62a_100000038929_100000211660 [0,2,0,0,0,0|1,0,0]=3 6232 B11R0.30 C=C(C)CSCCCSC(=O)C 62a_100000748629_100000038929 [0,2,0,0,0,0|1,0,0]=3 6233 B11R0.30 C=C(C)CSCCOCC(=O)N 62a_100000076697_100000211660 [0,2,0,0,0,0|2,0,0]=4 6234 B11R0.30 C=C(C)CSCCOCC(=O)N 62a_100000748629_100000076697 [0,2,0,0,0,0|2,0,0]=4 6235 B11R0.30 C=C(F)CNCCCCC(=O)N 34a_100000696515_100009893438 [0,2,0,0,0,0|1,0,0]=3 6236 B11R0.30 C=C(F)CNCCCNC(=O)C 34a_100000736810_100009893438 [0,2,0,0,0,0|1,0,0]=3 6237 B11R0.30 C=C(F)CNCCOCC(=O)O 269956a_100000700818_100000042424 [0,2,0,0,0,0|2,0,0]=4 6238 B11R0.30 C=C(F)COCCCCC(=O)C 34a_200010262243_100009817362 [0,2,0,0,0,0|0,0,0]=2 6239 B11R0.30 C=C(F)COCCCCC(=O)N 34a_100012022536_100009893438 [0,2,0,0,0,0|1,0,0]=3 6240 B11R0.30 C=C(F)COCCCCC(=O)N 7a_100012022536_100000042424 [0,2,0,0,0,0|1,0,0]=3 6241 B11R0.30 C=C(F)COCCCCC(C)C 34a_100011214890_100009893438 [0,2,0,0,0,0|1,0,1]=4 6242 B11R0.30 C=C(F)COCCCCC(C)C 34a_200010262243_100011216152 [0,2,0,0,0,0|1,0,1]=4 6243 B11R0.30 C=C(F)COCCCCC(C)C 7a_100011214890_100000042424 [0,2,0,0,0,0|1,0,1]=4 6244 B11R0.30 C=C(F)COCCCC[N+](=O)[O-] 34a_200015379883_100009893438 [0,2,0,0,0,0|2,0,0]=4 6245 B11R0.30 C=C(F)COCCCC[N+](=O)[O-] 7a_200015379883_100000042424 [0,2,0,0,0,0|2,0,0]=4 6246 B11R0.30 C=C(F)COCCCNC(=O)C 34a_100000752032_100009893438 [0,2,0,0,0,0|1,0,0]=3 6247 B11R0.30 C=C(F)COCCCOC(=O)C 34a_200010262243_100000042594 [0,2,0,0,0,0|1,0,0]=3 6248 B11R0.30 C=C(F)COCCCOC(=S)C 34a_200010262243_200135323944 [0,2,0,0,0,0|1,1,0]=4 6249 B11R0.30 C=C(F)COCCCSC(=O)C 34a_200010262243_100000038929 [0,2,0,0,0,0|1,0,0]=3 6250 B11R0.30 C=C(F)COCCOCC(=O)N 34a_200010262243_100000076697 [0,2,0,0,0,0|2,0,0]=4 6251 B11R0.30 C=C(F)CSCCCCC(=O)C 62a_100000042424_100000735457 [0,2,0,0,0,0|0,0,0]=2 6252 B11R0.30 C=C(F)CSCCCCC(=O)C 62a_100000735457_100000042424 [0,2,0,0,0,0|0,0,0]=2 6253 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100000042424_100011216152 [0,2,0,0,0,0|1,0,1]=4 6254 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100011216152_100000042424 [0,2,0,0,0,0|1,0,1]=4 6255 B11R0.30 C=C(F)CSCCCCN(C)C 62a_100000042424_100000690147 [0,2,0,0,0,0|2,0,0]=4 6256 B11R0.30 C=C(F)CSCCCOC(=O)C 62a_100000042424_100000042594 [0,2,0,0,0,0|1,0,0]=3 6257 B11R0.30 C=C(F)CSCCCOC(=O)C 62a_100000042594_100000042424 [0,2,0,0,0,0|1,0,0]=3 6258 B11R0.30 C=C(F)CSCCCOC(=S)C 62a_100000042424_200135323944 [0,2,0,0,0,0|1,1,0]=4 6259 B11R0.30 C=C(F)CSCCCOC(=S)C 62a_200135323944_100000042424 [0,2,0,0,0,0|1,1,0]=4 6260 B11R0.30 C=C(F)CSCCCSC(=O)C 62a_100000038929_100000042424 [0,2,0,0,0,0|1,0,0]=3 6261 B11R0.30 C=C(F)CSCCCSC(=O)C 62a_100000042424_100000038929 [0,2,0,0,0,0|1,0,0]=3 6262 B11R0.30 C=C(F)CSCCOCC(=O)N 62a_100000042424_100000076697 [0,2,0,0,0,0|2,0,0]=4 6263 B11R0.30 C=C(F)CSCCOCC(=O)N 62a_100000076697_100000042424 [0,2,0,0,0,0|2,0,0]=4 6264 B11R0.30 CC(=CCCOCCC(=O)N)C 34a_100000757172_100011217483 [0,2,0,0,0,0|2,0,0]=4 6265 B11R0.30 CC(=CCCOCCC(=O)N)C 7a_100000757172_100011217483 [0,2,0,0,0,0|2,0,0]=4 6266 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100000744528_100011217483 [0,2,0,0,0,0|2,0,0]=4 6267 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100011217483_100000744528 [0,2,0,0,0,0|2,0,0]=4 6268 B11R0.30 CC(=CCNCCCC(=O)N)C 34a_100000718196_100102525003 [0,2,0,0,0,0|2,0,0]=4 6269 B11R0.30 CC(=CCNCCCC(=O)N)C 34a_100000739312_100000761012 [0,2,0,0,0,0|2,0,0]=4 6270 B11R0.30 CC(=CCNCCCS(=O)C)C 2230a_200000753449_100000761012 [0,2,0,0,0,0|2,0,0]=4 6271 B11R0.30 CC(=CCOCCCC(=O)N)C 34a_100000753907_100102525003 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.30 CC(=CCSCCCC(=O)N)C 62a_100000761012_100102525003 [0,2,0,0,0,0|2,0,0]=4 6273 B11R0.30 CC(=CCSCCCC(=O)N)C 62a_100102525003_100000761012 [0,2,0,0,0,0|2,0,0]=4 6274 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,2,0,0,0,0|0,0,2]=4 6275 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,2,0,0,0,0|1,0,1]=4 6276 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,2,0,0,0,0|0,0,2]=4 6277 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,2,0,0,0,0|0,0,1]=3 6278 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,2,0,0,0,0|0,0,1]=3 6279 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,2,0,0,0,0|1,0,0]=3 6280 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,2,0,0,0,0|0,0,2]=4 6281 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,2,0,0,0,0|0,0,2]=4 6282 B11R0.30 CC(=O)CCCCNCC(F)F 34a_100000765723_100009817362 [0,2,0,0,0,0|1,0,1]=4 6283 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,2,0,0,0,0|0,0,1]=3 6284 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,2,0,0,0,0|0,0,2]=4 6285 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,2,0,0,0,0|0,0,2]=4 6286 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,2,0,0,0,0|0,0,2]=4 6287 B11R0.30 CC(=O)CCCCOCC(F)F 34a_100000743014_100009817362 [0,2,0,0,0,0|1,0,1]=4 6288 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,2,0,0,0,0|0,0,2]=4 6289 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,2,0,0,0,0|0,0,2]=4 6290 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,2,0,0,0,0|1,0,0]=3 6291 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,2,0,0,0,0|1,0,0]=3 6292 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,2,0,0,0,0|1,0,0]=3 6293 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,2,0,0,0,0|1,0,0]=3 6294 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,2,0,0,0,0|0,0,2]=4 6295 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,2,0,0,0,0|0,0,2]=4 6296 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,2,0,0,0,0|0,0,2]=4 6297 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,2,0,0,0,0|0,0,2]=4 6298 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100000735457_100011934356 [0,2,0,0,0,0|1,0,1]=4 6299 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100011934356_100000735457 [0,2,0,0,0,0|1,0,1]=4 6300 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,2,0,0,0,0|0,0,2]=4 6301 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,2,0,0,0,0|0,0,2]=4 6302 B11R0.30 CC(=O)CCCCSC[N+](=O)[O-] 62a_100000735457_100000761209 [0,2,0,0,0,0|2,0,0]=4 6303 B11R0.30 CC(=O)CCCNCC=C(C)C 34a_100000718196_100000685027 [0,2,0,0,0,0|1,0,0]=3 6304 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,2,0,0,0,0|2,0,0]=4 6305 B11R0.30 CC(=O)CCCOCC=C(C)C 34a_100000753907_100000685027 [0,2,0,0,0,0|1,0,0]=3 6306 B11R0.30 CC(=O)CCCOCC=C(C)C 34a_100000759063_100000761012 [0,2,0,0,0,0|1,0,0]=3 6307 B11R0.30 CC(=O)CCCOCC=C(C)C 7a_100000759063_100000761012 [0,2,0,0,0,0|1,0,0]=3 6308 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,2,0,0,0,0|0,0,1]=3 6309 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,2,0,0,0,0|0,0,1]=3 6310 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,2,0,0,0,0|0,0,1]=3 6311 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,2,0,0,0,0|1,0,0]=3 6312 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,2,0,0,0,0|1,0,0]=3 6313 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,2,0,0,0,0|1,0,0]=3 6314 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,2,0,0,0,0|1,0,0]=3 6315 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,2,0,0,0,0|0,0,2]=4 6316 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,2,0,0,0,0|0,0,2]=4 6317 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,2,0,0,0,0|0,0,2]=4 6318 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,2,0,0,0,0|0,0,2]=4 6319 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,2,0,0,0,0|0,0,2]=4 6320 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,2,0,0,0,0|0,0,2]=4 6321 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,2,0,0,0,0|0,0,2]=4 6322 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [0,2,0,0,0,0|1,0,1]=4 6323 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [0,2,0,0,0,0|1,0,1]=4 6324 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,2,0,0,0,0|0,0,2]=4 6325 B11R0.30 CC(=O)CCCOCOC(=O)C 34a_100000759063_100009813279 [0,2,0,0,0,0|1,0,1]=4 6326 B11R0.30 CC(=O)CCCSCC=C(C)C 62a_100000761012_100011215641 [0,2,0,0,0,0|1,0,0]=3 6327 B11R0.30 CC(=O)CCCSCC=C(C)C 62a_100011215641_100000761012 [0,2,0,0,0,0|1,0,0]=3 6328 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,2,0,0,0,0|0,0,1]=3 6329 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,2,0,0,0,0|0,0,1]=3 6330 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,2,0,0,0,0|1,0,0]=3 6331 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,2,0,0,0,0|1,0,0]=3 6332 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,2,0,0,0,0|0,0,2]=4 6333 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,2,0,0,0,0|0,0,2]=4 6334 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,2,0,0,0,0|0,0,2]=4 6335 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,2,0,0,0,0|0,0,2]=4 6336 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [0,2,0,0,0,0|1,0,1]=4 6337 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [0,2,0,0,0,0|1,0,1]=4 6338 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [0,2,0,0,0,0|1,0,1]=4 6339 B11R0.30 CC(=O)CCOCCC=C(C)C 34a_100000759926_100011217483 [0,2,0,0,0,0|1,0,0]=3 6340 B11R0.30 CC(=O)CCOCCC=C(C)C 7a_100000759926_100011217483 [0,2,0,0,0,0|1,0,0]=3 6341 B11R0.30 CC(=O)CCOCCC=C(F)F 34a_100000759926_200009816681 [0,2,0,0,0,0|1,0,0]=3 6342 B11R0.30 CC(=O)CCOCCC=C(F)F 7a_100000759926_200009816681 [0,2,0,0,0,0|1,0,0]=3 6343 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,2,0,0,0,0|1,0,0]=3 6344 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,2,0,0,0,0|1,0,0]=3 6345 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,2,0,0,0,0|0,0,2]=4 6346 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,2,0,0,0,0|0,0,2]=4 6347 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,2,0,0,0,0|0,0,2]=4 6348 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,2,0,0,0,0|0,0,2]=4 6349 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,2,0,0,0,0|0,0,2]=4 6350 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [0,2,0,0,0,0|1,0,1]=4 6351 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [0,2,0,0,0,0|1,0,1]=4 6352 B11R0.30 CC(=O)CCOCCNC(=O)N 7a_100000759926_200000034859 [0,2,0,0,0,0|2,0,0]=4 6353 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [0,2,0,0,0,0|1,0,1]=4 6354 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [0,2,0,0,0,0|1,0,1]=4 6355 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [0,2,0,0,0,0|1,0,1]=4 6356 B11R0.30 CC(=O)CCOCCOC(=O)N 34a_100000759926_200011214921 [0,2,0,0,0,0|2,0,0]=4 6357 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000759926_200011214921 [0,2,0,0,0,0|2,0,0]=4 6358 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000766696_100000053229 [0,2,0,0,0,0|2,0,0]=4 6359 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100000053229_100011217483 [0,2,0,0,0,0|1,0,0]=3 6360 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100011217483_100000053229 [0,2,0,0,0,0|1,0,0]=3 6361 B11R0.30 CC(=O)CCSCCC=C(F)F 62a_100000053229_200009816681 [0,2,0,0,0,0|1,0,0]=3 6362 B11R0.30 CC(=O)CCSCCC=C(F)F 62a_200009816681_100000053229 [0,2,0,0,0,0|1,0,0]=3 6363 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,2,0,0,0,0|1,0,0]=3 6364 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,2,0,0,0,0|1,0,0]=3 6365 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,2,0,0,0,0|0,0,2]=4 6366 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,2,0,0,0,0|0,0,2]=4 6367 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,2,0,0,0,0|0,0,2]=4 6368 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,2,0,0,0,0|0,0,2]=4 6369 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [0,2,0,0,0,0|1,0,1]=4 6370 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [0,2,0,0,0,0|1,0,1]=4 6371 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [0,2,0,0,0,0|1,0,1]=4 6372 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_100000053229_200000034859 [0,2,0,0,0,0|2,0,0]=4 6373 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_200000034859_100000053229 [0,2,0,0,0,0|2,0,0]=4 6374 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [0,2,0,0,0,0|1,0,1]=4 6375 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [0,2,0,0,0,0|1,0,1]=4 6376 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_100000053229_200011214921 [0,2,0,0,0,0|2,0,0]=4 6377 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_200011214921_100000053229 [0,2,0,0,0,0|2,0,0]=4 6378 B11R0.30 CC(=O)COCCCCB(O)O 34a_100000211253_200009817182 [0,2,0,0,0,0|2,0,0]=4 6379 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,2,0,0,0,0|0,0,2]=4 6380 B11R0.30 CC(=O)COCCCOC(=O)C 34a_100000211253_100000042594 [0,2,0,0,0,0|1,0,1]=4 6381 B11R0.30 CC(=O)COCCCOC(=S)C 34a_100000211253_200135323944 [0,2,0,0,0,0|1,0,1]=4 6382 B11R0.30 CC(=O)COCCCSC(=O)C 34a_100000211253_100000038929 [0,2,0,0,0,0|1,0,1]=4 6383 B11R0.30 CC(=O)COCCOCC(=O)N 34a_100000211253_100000076697 [0,2,0,0,0,0|2,0,0]=4 6384 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,2,0,0,0,0|0,0,1]=3 6385 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,2,0,0,0,0|0,0,2]=4 6386 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,2,0,0,0,0|0,0,2]=4 6387 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,2,0,0,0,0|0,0,2]=4 6388 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [0,2,0,0,0,0|1,0,1]=4 6389 B11R0.30 CC(=O)NCCCCNC(=O)C 11a_200011368371_100015343762 [0,2,0,0,0,0|1,0,1]=4 6390 B11R0.30 CC(=O)NCCCCNC(=O)C 1626a_200011368371_100015343762 [0,2,0,0,0,0|1,0,1]=4 6391 B11R0.30 CC(=O)NCCCCNC(=O)C 240690a_200011368371_100015343762 [0,2,0,0,0,0|1,0,1]=4 6392 B11R0.30 CC(=O)NCCCCNC(=O)C 527a_200011368371_100103153847 [0,2,0,0,0,0|1,0,1]=4 6393 B11R0.30 CC(=O)NCCCNCC(=O)N 34a_100000736810_100000187820 [0,2,0,0,0,0|2,0,0]=4 6394 B11R0.30 CC(=O)NCCCNCC(=O)[O-] 34a_100000736810_100020667443 [0,2,0,0,0,0|2,0,0]=4 6395 B11R0.30 CC(=O)NCCCOCC(=O)N 34a_100000752032_100000187820 [0,2,0,0,0,0|2,0,0]=4 6396 B11R0.30 CC(=O)NCCCOCC(=O)[O-] 34a_100000752032_100020667443 [0,2,0,0,0,0|2,0,0]=4 6397 B11R0.30 CC(=O)NCCNCC=C(C)C 2230a_100000209853_100000761012 [0,2,0,0,0,0|2,0,0]=4 6398 B11R0.30 CC(=O)NCCNCCC(=O)N 2230a_100000209853_100000744528 [0,2,0,0,0,0|2,0,0]=4 6399 B11R0.30 CC(=O)NCCOCC=C(C)C 34a_100000158858_100000761012 [0,2,0,0,0,0|2,0,0]=4 6400 B11R0.30 CC(=O)NCCOCCC(=O)N 34a_100000158858_100000731001 [0,2,0,0,0,0|2,0,0]=4 6401 B11R0.30 CC(=O)NCCOCCC(=O)N 7a_100000757172_100000189650 [0,2,0,0,0,0|2,0,0]=4 6402 B11R0.30 CC(=O)NCCSCC=C(C)C 62a_100000189650_100000761012 [0,2,0,0,0,0|2,0,0]=4 6403 B11R0.30 CC(=O)NCCSCC=C(C)C 62a_100000761012_100000189650 [0,2,0,0,0,0|2,0,0]=4 6404 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000189650_100000744528 [0,2,0,0,0,0|2,0,0]=4 6405 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000744528_100000189650 [0,2,0,0,0,0|2,0,0]=4 6406 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,2,0,0,0,0|1,0,1]=4 6407 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,2,0,0,0,0|1,0,1]=4 6408 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,2,0,0,0,0|2,0,0]=4 6409 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000042594_100000747473 [0,2,0,0,0,0|2,0,0]=4 6410 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000747473_100000042594 [0,2,0,0,0,0|2,0,0]=4 6411 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100000042594_100020667443 [0,2,0,0,0,0|2,0,0]=4 6412 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100020667443_100000042594 [0,2,0,0,0,0|2,0,0]=4 6413 B11R0.30 CC(=O)OCCNCC=C(C)C 34a_100000718196_100009814007 [0,2,0,0,0,0|2,0,0]=4 6414 B11R0.30 CC(=O)OCCOCC=C(C)C 34a_100000753907_100009814007 [0,2,0,0,0,0|2,0,0]=4 6415 B11R0.30 CC(=O)OCCOCCC(=O)N 34a_100000757172_100009814007 [0,2,0,0,0,0|2,0,0]=4 6416 B11R0.30 CC(=O)OCCOCCC(=O)N 7a_100000757172_100009814007 [0,2,0,0,0,0|2,0,0]=4 6417 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100000761012_100009814007 [0,2,0,0,0,0|2,0,0]=4 6418 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100009814007_100000761012 [0,2,0,0,0,0|2,0,0]=4 6419 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100000744528_100009814007 [0,2,0,0,0,0|2,0,0]=4 6420 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100009814007_100000744528 [0,2,0,0,0,0|2,0,0]=4 6421 B11R0.30 CC(=O)OCNCCCC(=O)N 34a_100000739312_100009813279 [0,2,0,0,0,0|2,0,0]=4 6422 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100000076356_100011217483 [0,2,0,0,0,0|2,0,0]=4 6423 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100011217483_100000076356 [0,2,0,0,0,0|2,0,0]=4 6424 B11R0.30 CC(=O)OCSCCC=C(F)F 62a_100000076356_200009816681 [0,2,0,0,0,0|2,0,0]=4 6425 B11R0.30 CC(=O)OCSCCC=C(F)F 62a_200009816681_100000076356 [0,2,0,0,0,0|2,0,0]=4 6426 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100000076356_100102525003 [0,2,0,0,0,0|2,0,0]=4 6427 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100102525003_100000076356 [0,2,0,0,0,0|2,0,0]=4 6428 B11R0.30 CC(=O)SCCCNCC(=O)N 2230a_100000711301_100000038929 [0,2,0,0,0,0|2,0,0]=4 6429 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,2,0,0,0,0|2,0,0]=4 6430 B11R0.30 CC(=O)SCCCSCC(=O)N 62a_100000038929_100000747473 [0,2,0,0,0,0|2,0,0]=4 6431 B11R0.30 CC(=O)SCCCSCC(=O)N 62a_100000747473_100000038929 [0,2,0,0,0,0|2,0,0]=4 6432 B11R0.30 CC(=O)SCCCSCC(=O)[O-] 62a_100000038929_100020667443 [0,2,0,0,0,0|2,0,0]=4 6433 B11R0.30 CC(=O)SCCCSCC(=O)[O-] 62a_100020667443_100000038929 [0,2,0,0,0,0|2,0,0]=4 6434 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,2,0,0,0,0|0,0,2]=4 6435 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,2,0,0,0,0|0,0,2]=4 6436 B11R0.30 CS(=O)CCCNCCC(=O)N 2230a_200000753449_100000744528 [0,2,0,0,0,0|2,0,0]=4 6437 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [0,2,0,0,0,0|2,0,0]=4 6438 B11R0.30 NC(=O)CCCCNCC(=O)[O-] 34a_100000696515_100020667443 [0,2,0,0,0,0|2,0,0]=4 6439 B11R0.30 NC(=O)CCCCOCC(=O)N 34a_100012022536_100000187820 [0,2,0,0,0,0|2,0,0]=4 6440 B11R0.30 NC(=O)CCCCOCC(=O)N 7a_100012022536_100000187820 [0,2,0,0,0,0|2,0,0]=4 6441 B11R0.30 NC(=O)CCCCOCC(=O)[O-] 34a_100012022536_100020667443 [0,2,0,0,0,0|2,0,0]=4 6442 B11R0.30 NC(=O)CCCNCCC(=O)N 34a_100000739312_100000731001 [0,2,0,0,0,0|2,0,0]=4 6443 B11R0.30 NC(=O)CCCOCCC(=O)N 34a_100000757172_100102525003 [0,2,0,0,0,0|2,0,0]=4 6444 B11R0.30 NC(=O)CCCOCCC(=O)N 7a_100000757172_100102525003 [0,2,0,0,0,0|2,0,0]=4 6445 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100000744528_100102525003 [0,2,0,0,0,0|2,0,0]=4 6446 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100102525003_100000744528 [0,2,0,0,0,0|2,0,0]=4 6447 B11R0.30 NC(=O)CCOCCC=C(F)F 34a_100000757172_200009816681 [0,2,0,0,0,0|2,0,0]=4 6448 B11R0.30 NC(=O)CCOCCC=C(F)F 7a_100000757172_200009816681 [0,2,0,0,0,0|2,0,0]=4 6449 B11R0.30 NC(=O)CCSCCC=C(F)F 62a_100000744528_200009816681 [0,2,0,0,0,0|2,0,0]=4 6450 B11R0.30 NC(=O)CCSCCC=C(F)F 62a_200009816681_100000744528 [0,2,0,0,0,0|2,0,0]=4 6451 B11R0.40 C#C/C(=C\COCCCC=C)/C 34a_100016990848_100000757094 [0,2,0,0,0,0|1,0,1]=4 6452 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,2,0,0,0,0|0,0,1]=3 6453 B11R0.40 C#CC(C)NCCCCCC=C 2230a_100000707721_100000700193 [0,2,0,0,0,0|1,0,1]=4 6454 B11R0.40 C#CC(C)NCCCCCC=C 34a_100000707721_100000700193 [0,2,0,0,0,0|1,0,1]=4 6455 B11R0.40 C#CC(C)OCCCCCC=C 34a_100011216702_200000035995 [0,2,0,0,0,0|1,0,1]=4 6456 B11R0.40 C#CC(C)SCCCCCC=C 62a_200000035995_100000700193 [0,2,0,0,0,0|1,0,1]=4 6457 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,2,0,0,0,0|0,0,2]=4 6458 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,2,0,0,0,0|0,0,2]=4 6459 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,2,0,0,0,0|0,0,2]=4 6460 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,2,0,0,0,0|0,0,2]=4 6461 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,2,0,0,0,0|0,0,2]=4 6462 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,2,0,0,0,0|0,0,2]=4 6463 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,2,0,0,0,0|0,0,2]=4 6464 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,2,0,0,0,0|0,0,2]=4 6465 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000693194_100010269958 [0,2,0,0,0,0|0,0,2]=4 6466 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000706060_100000183359 [0,2,0,0,0,0|0,0,2]=4 6467 B11R0.40 C#CCCCCNCC(=O)NC 34a_100000706060_100000183359 [0,2,0,0,0,0|0,0,2]=4 6468 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,2,0,0,0,0|0,0,2]=4 6469 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,2,0,0,0,0|0,0,2]=4 6470 B11R0.40 C#CCCCCOCC(=O)CC 34a_100000725409_100010269958 [0,2,0,0,0,0|0,0,2]=4 6471 B11R0.40 C#CCCCCOCC(=O)CC 7a_100000766709_100000747405 [0,2,0,0,0,0|0,0,2]=4 6472 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000750040_100010269958 [0,2,0,0,0,0|0,0,2]=4 6473 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000766709_100000183359 [0,2,0,0,0,0|0,0,2]=4 6474 B11R0.40 C#CCCCCOCC(=O)NC 7a_100000766709_100000183359 [0,2,0,0,0,0|0,0,2]=4 6475 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,2,0,0,0,0|0,0,2]=4 6476 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,2,0,0,0,0|0,0,2]=4 6477 B11R0.40 C#CCCCCSCC(=O)CC 62a_100000747405_100010269958 [0,2,0,0,0,0|0,0,2]=4 6478 B11R0.40 C#CCCCCSCC(=O)CC 62a_100010269958_100000747405 [0,2,0,0,0,0|0,0,2]=4 6479 B11R0.40 C#CCCCCSCC(=O)NC 62a_100000183359_100010269958 [0,2,0,0,0,0|0,0,2]=4 6480 B11R0.40 C#CCCCCSCC(=O)NC 62a_100010269958_100000183359 [0,2,0,0,0,0|0,0,2]=4 6481 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,2,0,0,0,0|0,0,2]=4 6482 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,2,0,0,0,0|0,0,2]=4 6483 B11R0.40 C#CCCCNCCC(=O)NC 2230a_100000738227_100000731252 [0,2,0,0,0,0|0,0,2]=4 6484 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000718082_100012179268 [0,2,0,0,0,0|0,0,2]=4 6485 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000738227_100000695029 [0,2,0,0,0,0|0,0,2]=4 6486 B11R0.40 C#CCCCNCCC(=O)OC 34a_100000718082_100000742370 [0,2,0,0,0,0|0,0,2]=4 6487 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000215630_100012179268 [0,2,0,0,0,0|0,0,2]=4 6488 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000754576_100000695029 [0,2,0,0,0,0|0,0,2]=4 6489 B11R0.40 C#CCCCOCCC(=O)NC 7a_100000215630_100000737683 [0,2,0,0,0,0|0,0,2]=4 6490 B11R0.40 C#CCCCOCCC(=O)OC 34a_100000215630_100000742370 [0,2,0,0,0,0|0,0,2]=4 6491 B11R0.40 C#CCCCOCCC(=O)OC 7a_100000215630_100000204255 [0,2,0,0,0,0|0,0,2]=4 6492 B11R0.40 C#CCCCSCCC(=O)NC 62a_100000737683_100011215417 [0,2,0,0,0,0|0,0,2]=4 6493 B11R0.40 C#CCCCSCCC(=O)NC 62a_100011215417_100000737683 [0,2,0,0,0,0|0,0,2]=4 6494 B11R0.40 C#CCCCSCCC(=O)OC 62a_100000204255_100011215417 [0,2,0,0,0,0|0,0,2]=4 6495 B11R0.40 C#CCCCSCCC(=O)OC 62a_100011215417_100000204255 [0,2,0,0,0,0|0,0,2]=4 6496 B11R0.40 C#CCCNCCCC(=O)NC 2230a_100000740002_100000688953 [0,2,0,0,0,0|0,0,2]=4 6497 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000740002_100000688953 [0,2,0,0,0,0|0,0,2]=4 6498 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000755551_100000741757 [0,2,0,0,0,0|0,0,2]=4 6499 B11R0.40 C#CCCNCCCC(=O)OC 34a_100000755551_100000742333 [0,2,0,0,0,0|0,0,2]=4 6500 B11R0.40 C#CCCOCCCC(=O)NC 34a_100011215631_100000741757 [0,2,0,0,0,0|0,0,2]=4 6501 B11R0.40 C#CCCOCCCC(=O)OC 34a_100011215631_100000742333 [0,2,0,0,0,0|0,0,2]=4 6502 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000688953_100000741757 [0,2,0,0,0,0|0,0,2]=4 6503 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000741757_100000688953 [0,2,0,0,0,0|0,0,2]=4 6504 B11R0.40 C#CCCSCCCC(=O)OC 62a_100000688953_100011218270 [0,2,0,0,0,0|0,0,2]=4 6505 B11R0.40 C#CCCSCCCC(=O)OC 62a_100011218270_100000688953 [0,2,0,0,0,0|0,0,2]=4 6506 B11R0.40 C#CCNCCCCC(=O)OC 34a_100000212058_100000204269 [0,2,0,0,0,0|0,0,2]=4 6507 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000059025_100000184674 [0,2,0,0,0,0|0,0,2]=4 6508 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000210247_100000204269 [0,2,0,0,0,0|0,0,2]=4 6509 B11R0.40 C#CCOCCCCC(=O)OC 7a_100000059025_100000038162 [0,2,0,0,0,0|0,0,2]=4 6510 B11R0.40 C#CCSCCCCC(=O)OC 62a_100000038162_100000204269 [0,2,0,0,0,0|0,0,2]=4 6511 B11R0.40 C#C[C@@H](C)OCCCCCC=C 34a_100009815206_100000700193 [0,2,0,0,0,0|1,0,1]=4 6512 B11R0.40 C#C[C@@H](C)OCCCCCC=C 7a_100009815206_100000700193 [0,2,0,0,0,0|1,0,1]=4 6513 B11R0.40 C/C=C/CCOCCC(=O)NC 34a_100016278192_100012179268 [0,2,0,0,0,0|1,0,0]=3 6514 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [0,2,0,0,0,0|1,0,0]=3 6515 B11R0.40 C/C=C/CNCCCC(=O)NC 34a_100000740002_100102629194 [0,2,0,0,0,0|1,0,0]=3 6516 B11R0.40 C/C=C/CNCCNC(=O)CC 34a_100132302217_100102629194 [0,2,0,0,0,0|2,0,0]=4 6517 B11R0.40 C/C=C/CNCCNC(=O)NC 34a_100015205895_100102629194 [0,2,0,0,0,0|2,0,0]=4 6518 B11R0.40 C/C=C/COCCCC(=O)NC 34a_100016270725_100000741757 [0,2,0,0,0,0|1,0,0]=3 6519 B11R0.40 C/C=C/COCCCC(=O)NN 34a_100000211488_100102629194 [0,2,0,0,0,0|2,0,0]=4 6520 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [0,2,0,0,0,0|1,0,0]=3 6521 B11R0.40 C/C=C/COCCNC(=O)CC 34a_200000158885_100102629194 [0,2,0,0,0,0|2,0,0]=4 6522 B11R0.40 C/C=C/COCCNC(=O)CC 7a_200000158885_100102629194 [0,2,0,0,0,0|2,0,0]=4 6523 B11R0.40 C/C=C/COCCNC(=O)OC 34a_100000757965_100102629194 [0,2,0,0,0,0|2,0,0]=4 6524 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [0,2,0,0,0,0|2,0,0]=4 6525 B11R0.40 C/C=C/COCCOC(=O)NC 34a_100016270725_200011997002 [0,2,0,0,0,0|2,0,0]=4 6526 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [0,2,0,0,0,0|2,0,0]=4 6527 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100000741757_100102629194 [0,2,0,0,0,0|1,0,0]=3 6528 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100102629194_100000741757 [0,2,0,0,0,0|1,0,0]=3 6529 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [0,2,0,0,0,0|1,0,0]=3 6530 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [0,2,0,0,0,0|1,0,0]=3 6531 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_100102629194_200011997002 [0,2,0,0,0,0|2,0,0]=4 6532 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_200011997002_100102629194 [0,2,0,0,0,0|2,0,0]=4 6533 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,2,0,0,0,0|0,0,1]=3 6534 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,2,0,0,0,0|0,0,0]=2 6535 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,2,0,0,0,0|0,0,0]=2 6536 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,2,0,0,0,0|0,0,0]=2 6537 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,2,0,0,0,0|0,0,0]=2 6538 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,2,0,0,0,0|0,0,0]=2 6539 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,2,0,0,0,0|0,0,0]=2 6540 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,2,0,0,0,0|0,0,0]=2 6541 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,2,0,0,0,0|0,0,0]=2 6542 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,2,0,0,0,0|2,0,0]=4 6543 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,2,0,0,0,0|2,0,0]=4 6544 B11R0.40 C=CCCCCCNC(C)C#N 2230a_100000737613_100000700193 [0,2,0,0,0,0|1,0,1]=4 6545 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [0,2,0,0,0,0|1,0,1]=4 6546 B11R0.40 C=CCCCCCN[C@H](C)CO 2230a_100000737577_100000700193 [0,2,0,0,0,0|0,0,2]=4 6547 B11R0.40 C=CCCCCCOC(C)C#N 34a_100011218135_100000700193 [0,2,0,0,0,0|1,0,1]=4 6548 B11R0.40 C=CCCCCCOC(C)C#N 7a_100011216702_100000703298 [0,2,0,0,0,0|1,0,1]=4 6549 B11R0.40 C=CCCCCCOC(C)C=C 34a_100000695699_100000700193 [0,2,0,0,0,0|1,0,1]=4 6550 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [0,2,0,0,0,0|1,0,1]=4 6551 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [0,2,0,0,0,0|1,0,1]=4 6552 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [0,2,0,0,0,0|1,0,1]=4 6553 B11R0.40 C=CCCCCCOC(C)CF 34a_100016041109_100000700193 [0,2,0,0,0,0|1,0,1]=4 6554 B11R0.40 C=CCCCCCOC(C)CF 7a_100016041109_100000700193 [0,2,0,0,0,0|1,0,1]=4 6555 B11R0.40 C=CCCCCCOC(C)CN 34a_100000210904_100000700193 [0,2,0,0,0,0|1,0,1]=4 6556 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [0,2,0,0,0,0|0,0,2]=4 6557 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [0,2,0,0,0,0|0,0,2]=4 6558 B11R0.40 C=CCCCCCSC(C)C#N 62a_100000700193_100000703298 [0,2,0,0,0,0|1,0,1]=4 6559 B11R0.40 C=CCCCCCSC(C)C#N 62a_100000703298_100000700193 [0,2,0,0,0,0|1,0,1]=4 6560 B11R0.40 C=CCCCCCSC(C)C=C 62a_100011215867_100000700193 [0,2,0,0,0,0|1,0,1]=4 6561 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [0,2,0,0,0,0|1,0,1]=4 6562 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [0,2,0,0,0,0|1,0,1]=4 6563 B11R0.40 C=CCCCCCSC(C)CO 62a_100012180447_100000700193 [0,2,0,0,0,0|0,0,2]=4 6564 B11R0.40 C=CCCCCCSC(C)OC 62a_100000700193_100009879195 [0,2,0,0,0,0|0,0,2]=4 6565 B11R0.40 C=CCCCCCSC(C)OC 62a_100009879195_100000700193 [0,2,0,0,0,0|0,0,2]=4 6566 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100000700193_100016084084 [0,2,0,0,0,0|0,0,2]=4 6567 B11R0.40 C=CCCCCCS[C@H](C)CO 62a_100016084084_100000700193 [0,2,0,0,0,0|0,0,2]=4 6568 B11R0.40 C=CCCCCNCC(=C)C#N 2230a_100000703577_100000694840 [0,2,0,0,0,0|1,0,1]=4 6569 B11R0.40 C=CCCCCNCC(=C)C#N 34a_100000703577_100000694840 [0,2,0,0,0,0|1,0,1]=4 6570 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000693194_100011215482 [0,2,0,0,0,0|0,0,0]=2 6571 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000703577_100000183359 [0,2,0,0,0,0|0,0,0]=2 6572 B11R0.40 C=CCCCCNCC(=O)NC 34a_100000703577_100000183359 [0,2,0,0,0,0|0,0,0]=2 6573 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,2,0,0,0,0|0,0,0]=2 6574 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,2,0,0,0,0|0,0,0]=2 6575 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [0,2,0,0,0,0|1,0,1]=4 6576 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [0,2,0,0,0,0|1,0,1]=4 6577 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [0,2,0,0,0,0|1,0,1]=4 6578 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [0,2,0,0,0,0|1,0,1]=4 6579 B11R0.40 C=CCCCCNCC(C)CO 34a_100000744482_100011215482 [0,2,0,0,0,0|0,0,2]=4 6580 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [0,2,0,0,0,0|0,0,2]=4 6581 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [0,2,0,0,0,0|0,0,2]=4 6582 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [0,2,0,0,0,0|0,0,2]=4 6583 B11R0.40 C=CCCCCNCC(O)CO 2230a_100000703577_100011219619 [0,2,0,0,0,0|0,0,2]=4 6584 B11R0.40 C=CCCCCNCC(O)CO 34a_100000703577_100011219619 [0,2,0,0,0,0|0,0,2]=4 6585 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [0,2,0,0,0,0|1,0,1]=4 6586 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [0,2,0,0,0,0|1,0,1]=4 6587 B11R0.40 C=CCCCCNC[C@@H](C)CO 2230a_100000703577_100000059175 [0,2,0,0,0,0|0,0,2]=4 6588 B11R0.40 C=CCCCCNC[C@@H](C)CO 34a_100000703577_100000059175 [0,2,0,0,0,0|0,0,2]=4 6589 B11R0.40 C=CCCCCNC[C@@H](C)OC 2230a_100020591295_100011215482 [0,2,0,0,0,0|0,0,2]=4 6590 B11R0.40 C=CCCCCNC[C@@H](F)CO 34a_100015665980_100011215482 [0,2,0,0,0,0|1,0,1]=4 6591 B11R0.40 C=CCCCCNC[C@@H](O)CF 2230a_100000703577_100015614560 [0,2,0,0,0,0|0,0,2]=4 6592 B11R0.40 C=CCCCCNC[C@@H](O)CF 34a_100000703577_100015614560 [0,2,0,0,0,0|0,0,2]=4 6593 B11R0.40 C=CCCCCNC[C@@H](O)CO 2230a_100000703577_100009815848 [0,2,0,0,0,0|0,0,2]=4 6594 B11R0.40 C=CCCCCNC[C@@H](O)CO 34a_100000703577_100009815848 [0,2,0,0,0,0|0,0,2]=4 6595 B11R0.40 C=CCCCCNC[C@H](O)CO 2230a_100020644852_100011215482 [0,2,0,0,0,0|0,0,2]=4 6596 B11R0.40 C=CCCCCOCC(=C)C#N 34a_100000766645_100000694840 [0,2,0,0,0,0|1,0,1]=4 6597 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,2,0,0,0,0|0,0,0]=2 6598 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,2,0,0,0,0|0,0,0]=2 6599 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000750040_100011215482 [0,2,0,0,0,0|0,0,0]=2 6600 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000766645_100000183359 [0,2,0,0,0,0|0,0,0]=2 6601 B11R0.40 C=CCCCCOCC(=O)NC 7a_100000766645_100000183359 [0,2,0,0,0,0|0,0,0]=2 6602 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,2,0,0,0,0|0,0,0]=2 6603 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,2,0,0,0,0|0,0,0]=2 6604 B11R0.40 C=CCCCCOCC(C)C=C 34a_100011215527_100011215482 [0,2,0,0,0,0|1,0,1]=4 6605 B11R0.40 C=CCCCCOCC(C)C=C 7a_100011215527_100011215482 [0,2,0,0,0,0|1,0,1]=4 6606 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [0,2,0,0,0,0|1,0,1]=4 6607 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [0,2,0,0,0,0|1,0,1]=4 6608 B11R0.40 C=CCCCCOCC(C)CN 34a_100000744482_100011215482 [0,2,0,0,0,0|1,0,1]=4 6609 B11R0.40 C=CCCCCOCC(C)OC 34a_100000690652_100011215482 [0,2,0,0,0,0|0,0,2]=4 6610 B11R0.40 C=CCCCCOCC(Cl)CCl 34a_100000033668_100011215482 [0,2,0,0,0,0|1,0,1]=4 6611 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [0,2,0,0,0,0|0,0,2]=4 6612 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [0,2,0,0,0,0|0,0,2]=4 6613 B11R0.40 C=CCCCCOCC(O)CO 34a_100000766645_100011219619 [0,2,0,0,0,0|0,0,2]=4 6614 B11R0.40 C=CCCCCOCC(O)CO 7a_100000766645_100011219619 [0,2,0,0,0,0|0,0,2]=4 6615 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [0,2,0,0,0,0|1,0,1]=4 6616 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [0,2,0,0,0,0|1,0,1]=4 6617 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [0,2,0,0,0,0|1,0,1]=4 6618 B11R0.40 C=CCCCCOC[C@@H](C)CO 34a_100000766645_100000059175 [0,2,0,0,0,0|0,0,2]=4 6619 B11R0.40 C=CCCCCOC[C@@H](C)CO 7a_100000766645_100000059175 [0,2,0,0,0,0|0,0,2]=4 6620 B11R0.40 C=CCCCCOC[C@@H](O)CF 34a_100000766645_100015614560 [0,2,0,0,0,0|0,0,2]=4 6621 B11R0.40 C=CCCCCOC[C@@H](O)CF 7a_100000766645_100015614560 [0,2,0,0,0,0|0,0,2]=4 6622 B11R0.40 C=CCCCCOC[C@@H](O)CO 34a_100000766645_100009815848 [0,2,0,0,0,0|0,0,2]=4 6623 B11R0.40 C=CCCCCOC[C@@H](O)CO 7a_100000766645_100009815848 [0,2,0,0,0,0|0,0,2]=4 6624 B11R0.40 C=CCCCCOC[C@H](F)CN 34a_100015665980_100011215482 [0,2,0,0,0,0|1,0,1]=4 6625 B11R0.40 C=CCCCCSCC(=C)C#N 62a_100011215482_100000694840 [0,2,0,0,0,0|1,0,1]=4 6626 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [0,2,0,0,0,0|0,0,0]=2 6627 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [0,2,0,0,0,0|0,0,0]=2 6628 B11R0.40 C=CCCCCSCC(=O)NC 62a_100000183359_100011215482 [0,2,0,0,0,0|0,0,0]=2 6629 B11R0.40 C=CCCCCSCC(=O)NC 62a_100011215482_100000183359 [0,2,0,0,0,0|0,0,0]=2 6630 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,2,0,0,0,0|0,0,0]=2 6631 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,2,0,0,0,0|0,0,0]=2 6632 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [0,2,0,0,0,0|1,0,1]=4 6633 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [0,2,0,0,0,0|1,0,1]=4 6634 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [0,2,0,0,0,0|0,0,2]=4 6635 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [0,2,0,0,0,0|0,0,2]=4 6636 B11R0.40 C=CCCCCSCC(O)CO 62a_100011215482_100011219619 [0,2,0,0,0,0|0,0,2]=4 6637 B11R0.40 C=CCCCCSCC(O)CO 62a_100011219619_100011215482 [0,2,0,0,0,0|0,0,2]=4 6638 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [0,2,0,0,0,0|1,0,1]=4 6639 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [0,2,0,0,0,0|1,0,1]=4 6640 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100000059175_100011215482 [0,2,0,0,0,0|0,0,2]=4 6641 B11R0.40 C=CCCCCSC[C@@H](C)CO 62a_100011215482_100000059175 [0,2,0,0,0,0|0,0,2]=4 6642 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100011215482_100015614560 [0,2,0,0,0,0|0,0,2]=4 6643 B11R0.40 C=CCCCCSC[C@@H](O)CF 62a_100015614560_100011215482 [0,2,0,0,0,0|0,0,2]=4 6644 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100009815848_100011215482 [0,2,0,0,0,0|0,0,2]=4 6645 B11R0.40 C=CCCCCSC[C@@H](O)CO 62a_100011215482_100009815848 [0,2,0,0,0,0|0,0,2]=4 6646 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000700776_100000737683 [0,2,0,0,0,0|0,0,0]=2 6647 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000738227_100011713584 [0,2,0,0,0,0|0,0,0]=2 6648 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000700776_100012179268 [0,2,0,0,0,0|0,0,0]=2 6649 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000738227_100000757094 [0,2,0,0,0,0|0,0,0]=2 6650 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [0,2,0,0,0,0|0,0,0]=2 6651 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [0,2,0,0,0,0|0,0,0]=2 6652 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [0,2,0,0,0,0|1,0,1]=4 6653 B11R0.40 C=CCCCNCCC(C)CO 2230a_106354213184_100011713584 [0,2,0,0,0,0|0,0,2]=4 6654 B11R0.40 C=CCCCNCCC(C)CO 34a_106354213184_100000757094 [0,2,0,0,0,0|0,0,2]=4 6655 B11R0.40 C=CCCCOCCC(=NO)N 34a_100000749954_100000757094 [0,2,0,0,0,0|1,0,1]=4 6656 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000754576_100000757094 [0,2,0,0,0,0|0,0,0]=2 6657 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000758997_100012179268 [0,2,0,0,0,0|0,0,0]=2 6658 B11R0.40 C=CCCCOCCC(=O)NC 7a_100000758997_100000737683 [0,2,0,0,0,0|0,0,0]=2 6659 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [0,2,0,0,0,0|0,0,0]=2 6660 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [0,2,0,0,0,0|0,0,0]=2 6661 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [0,2,0,0,0,0|1,0,1]=4 6662 B11R0.40 C=CCCCOCCC(C)OC 7a_100000764861_100000757094 [0,2,0,0,0,0|0,0,2]=4 6663 B11R0.40 C=CCCCSCCC(=O)NC 62a_100000737683_100000757094 [0,2,0,0,0,0|0,0,0]=2 6664 B11R0.40 C=CCCCSCCC(=O)NC 62a_100011713584_100000737683 [0,2,0,0,0,0|0,0,0]=2 6665 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [0,2,0,0,0,0|0,0,0]=2 6666 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [0,2,0,0,0,0|0,0,0]=2 6667 B11R0.40 C=CCCCSCOC(=O)OC 62a_100011713584_100000139417 [0,2,0,0,0,0|1,0,0]=3 6668 B11R0.40 C=CCCNC/C=C/C(=O)OC 2230a_100015191253_100000742655 [0,2,0,0,0,0|0,0,2]=4 6669 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100000740002_100000754431 [0,2,0,0,0,0|0,0,0]=2 6670 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100015191253_100000741757 [0,2,0,0,0,0|0,0,0]=2 6671 B11R0.40 C=CCCNCCCC(=O)NC 34a_100000740002_100000754431 [0,2,0,0,0,0|0,0,0]=2 6672 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [0,2,0,0,0,0|0,0,0]=2 6673 B11R0.40 C=CCCNCCCN(C)CC 2230a_100015191253_100015186262 [0,2,0,0,0,0|2,0,0]=4 6674 B11R0.40 C=CCCNCCNC(=O)C=C 2230a_114873766552_100000754431 [0,2,0,0,0,0|1,0,1]=4 6675 B11R0.40 C=CCCNCCNC(=O)CC 34a_100132302217_100000754431 [0,2,0,0,0,0|1,0,0]=3 6676 B11R0.40 C=CCCNCCNC(=O)NC 34a_100015205895_100000754431 [0,2,0,0,0,0|1,0,0]=3 6677 B11R0.40 C=CCCNCCOC(=O)C=C 2230a_100015191253_100009813456 [0,2,0,0,0,0|1,0,1]=4 6678 B11R0.40 C=CCCOC/C=C/C(=O)OC 34a_100011205117_100000742655 [0,2,0,0,0,0|0,0,2]=4 6679 B11R0.40 C=CCCOCCCC(=O)NC 34a_100011205117_100000741757 [0,2,0,0,0,0|0,0,0]=2 6680 B11R0.40 C=CCCOCCCC(=O)NN 34a_100000211488_100000754431 [0,2,0,0,0,0|1,0,0]=3 6681 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [0,2,0,0,0,0|0,0,0]=2 6682 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [0,2,0,0,0,0|1,0,1]=4 6683 B11R0.40 C=CCCOCCC[C@@H](C)CN 34a_100160569302_100000754431 [0,2,0,0,0,0|1,0,1]=4 6684 B11R0.40 C=CCCOCCNC(=O)C=C 34a_100011304386_100000754431 [0,2,0,0,0,0|1,0,1]=4 6685 B11R0.40 C=CCCOCCNC(=O)CC 34a_200000158885_100000754431 [0,2,0,0,0,0|1,0,0]=3 6686 B11R0.40 C=CCCOCCNC(=O)CC 7a_200000158885_100000754431 [0,2,0,0,0,0|1,0,0]=3 6687 B11R0.40 C=CCCOCCNC(=O)OC 34a_100000757965_100000754431 [0,2,0,0,0,0|1,0,0]=3 6688 B11R0.40 C=CCCOCCOC(=O)C=C 34a_100011205117_100009813456 [0,2,0,0,0,0|1,0,1]=4 6689 B11R0.40 C=CCCOCCOC(=O)CC 7a_200000031056_100000754431 [0,2,0,0,0,0|1,0,0]=3 6690 B11R0.40 C=CCCOCCOC(=O)NC 34a_100011205117_200011997002 [0,2,0,0,0,0|1,0,0]=3 6691 B11R0.40 C=CCCOCCOC(=O)OC 34a_100010262106_100000754431 [0,2,0,0,0,0|1,0,0]=3 6692 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000742655_100000754431 [0,2,0,0,0,0|0,0,2]=4 6693 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000754431_100000742655 [0,2,0,0,0,0|0,0,2]=4 6694 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000741757_100000754431 [0,2,0,0,0,0|0,0,0]=2 6695 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000754431_100000741757 [0,2,0,0,0,0|0,0,0]=2 6696 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [0,2,0,0,0,0|0,0,0]=2 6697 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [0,2,0,0,0,0|0,0,0]=2 6698 B11R0.40 C=CCCSCCCN(C)CC 62a_100000754431_100015186262 [0,2,0,0,0,0|2,0,0]=4 6699 B11R0.40 C=CCCSCCOC(=O)C=C 62a_100000754431_100009813456 [0,2,0,0,0,0|1,0,1]=4 6700 B11R0.40 C=CCCSCCOC(=O)C=C 62a_100009813456_100000754431 [0,2,0,0,0,0|1,0,1]=4 6701 B11R0.40 C=CCCSCCOC(=O)NC 62a_100000754431_200011997002 [0,2,0,0,0,0|1,0,0]=3 6702 B11R0.40 C=CCCSCCOC(=O)NC 62a_200011997002_100000754431 [0,2,0,0,0,0|1,0,0]=3 6703 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [0,2,0,0,0,0|0,0,0]=2 6704 B11R0.40 C=CCNCCOCC(=O)OC 2230a_100020586998_100000090808 [0,2,0,0,0,0|1,0,0]=3 6705 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [0,2,0,0,0,0|0,0,0]=2 6706 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [0,2,0,0,0,0|0,0,0]=2 6707 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [0,2,0,0,0,0|0,0,0]=2 6708 B11R0.40 C=CCOCCOCC(=O)CC 7a_100000037705_100000747405 [0,2,0,0,0,0|1,0,0]=3 6709 B11R0.40 C=CCOCCOCC(=O)NC 34a_100000037705_100000183359 [0,2,0,0,0,0|1,0,0]=3 6710 B11R0.40 C=CCOCCOCC(=O)NC 7a_100000037705_100000183359 [0,2,0,0,0,0|1,0,0]=3 6711 B11R0.40 C=CCOCCOCC(=O)OC 34a_100000037705_100000747449 [0,2,0,0,0,0|1,0,0]=3 6712 B11R0.40 C=CCOCCOCC(=O)OC 34a_200000210373_100000090808 [0,2,0,0,0,0|1,0,0]=3 6713 B11R0.40 C=CCOCCOCC(=O)OC 7a_100000037705_100000747449 [0,2,0,0,0,0|1,0,0]=3 6714 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [0,2,0,0,0,0|0,0,0]=2 6715 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [0,2,0,0,0,0|0,0,0]=2 6716 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000090808_100000210623 [0,2,0,0,0,0|1,0,0]=3 6717 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000210623_100000090808 [0,2,0,0,0,0|1,0,0]=3 6718 B11R0.40 C=COCCCNCC(=O)NC 2230a_100000210767_100000183359 [0,2,0,0,0,0|1,0,0]=3 6719 B11R0.40 C=COCCCNCC(=O)NC 34a_100000210767_100000183359 [0,2,0,0,0,0|1,0,0]=3 6720 B11R0.40 C=COCCCNCC(=O)OC 2230a_100000210767_100000747449 [0,2,0,0,0,0|1,0,0]=3 6721 B11R0.40 C=COCCCNCC(=O)OC 34a_100000210767_100000747449 [0,2,0,0,0,0|1,0,0]=3 6722 B11R0.40 C=COCCNCCC(=O)NC 2230a_100000738227_100000039644 [0,2,0,0,0,0|1,0,0]=3 6723 B11R0.40 C=COCCNCCC(=O)NC 34a_100000738227_100000039644 [0,2,0,0,0,0|1,0,0]=3 6724 B11R0.40 C=COCCOCCC(=O)NC 34a_100000033082_100012179268 [0,2,0,0,0,0|1,0,0]=3 6725 B11R0.40 C=COCCOCCC(=O)NC 34a_100000754576_100000039644 [0,2,0,0,0,0|1,0,0]=3 6726 B11R0.40 C=COCCOCCC(=O)OC 34a_100000033082_100000742370 [0,2,0,0,0,0|1,0,0]=3 6727 B11R0.40 C=COCCSCCC(=O)NC 62a_100000039644_100000737683 [0,2,0,0,0,0|1,0,0]=3 6728 B11R0.40 C=COCCSCCC(=O)NC 62a_100000737683_100000039644 [0,2,0,0,0,0|1,0,0]=3 6729 B11R0.40 C=COCCSCCC(=O)OC 62a_100000039644_100000204255 [0,2,0,0,0,0|1,0,0]=3 6730 B11R0.40 C=COCCSCCC(=O)OC 62a_100000204255_100000039644 [0,2,0,0,0,0|1,0,0]=3 6731 B11R0.40 C=COCCSCOC(=O)OC 62a_100000039644_100000139417 [0,2,0,0,0,0|2,0,0]=4 6732 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,2,0,0,0,0|1,0,0]=3 6733 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,2,0,0,0,0|1,0,0]=3 6734 B11R0.40 CC=CCNCCCC(=O)NC 2230a_100000740002_100000070051 [0,2,0,0,0,0|1,0,0]=3 6735 B11R0.40 CC=CCNCCCC(=O)NC 34a_100000740002_100000070051 [0,2,0,0,0,0|1,0,0]=3 6736 B11R0.40 CC=CCNCCNC(=O)CC 34a_100132302217_100000070051 [0,2,0,0,0,0|2,0,0]=4 6737 B11R0.40 CC=CCNCCNC(=O)NC 34a_100015205895_100000070051 [0,2,0,0,0,0|2,0,0]=4 6738 B11R0.40 CC=CCOCCCC(=O)NN 34a_100000211488_100000070051 [0,2,0,0,0,0|2,0,0]=4 6739 B11R0.40 CC=CCOCCNC(=O)CC 34a_200000158885_100000070051 [0,2,0,0,0,0|2,0,0]=4 6740 B11R0.40 CC=CCOCCNC(=O)CC 7a_200000158885_100000070051 [0,2,0,0,0,0|2,0,0]=4 6741 B11R0.40 CC=CCOCCNC(=O)OC 34a_100000757965_100000070051 [0,2,0,0,0,0|2,0,0]=4 6742 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [0,2,0,0,0,0|2,0,0]=4 6743 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [0,2,0,0,0,0|2,0,0]=4 6744 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000070051_100000741757 [0,2,0,0,0,0|1,0,0]=3 6745 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000741757_100000070051 [0,2,0,0,0,0|1,0,0]=3 6746 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [0,2,0,0,0,0|1,0,0]=3 6747 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [0,2,0,0,0,0|1,0,0]=3 6748 B11R0.40 CC=CCSCCOC(=O)NC 62a_100000070051_200011997002 [0,2,0,0,0,0|2,0,0]=4 6749 B11R0.40 CC=CCSCCOC(=O)NC 62a_200011997002_100000070051 [0,2,0,0,0,0|2,0,0]=4 6750 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,2,0,0,0,0|0,0,2]=4 6751 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|0,0,2]=4 6752 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|0,0,2]=4 6753 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|0,0,2]=4 6754 B11R0.40 CCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210202 [0,2,0,0,0,0|2,0,0]=4 6755 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,2,0,0,0,0|1,0,1]=4 6756 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,2,0,0,0,0|1,0,1]=4 6757 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,2,0,0,0,0|1,0,1]=4 6758 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,2,0,0,0,0|1,0,1]=4 6759 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,2,0,0,0,0|1,0,1]=4 6760 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,2,0,0,0,0|1,0,1]=4 6761 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,2,0,0,0,0|1,0,1]=4 6762 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,2,0,0,0,0|1,0,1]=4 6763 B11R0.40 CCC(=O)CSCCCCC#N 62a_100000747405_100000211819 [0,2,0,0,0,0|1,0,1]=4 6764 B11R0.40 CCC(=O)CSCCCCC#N 62a_100011219923_100000747405 [0,2,0,0,0,0|1,0,1]=4 6765 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,2,0,0,0,0|1,0,0]=3 6766 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,2,0,0,0,0|1,0,0]=3 6767 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,2,0,0,0,0|1,0,1]=4 6768 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,2,0,0,0,0|1,0,1]=4 6769 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,2,0,0,0,0|1,0,1]=4 6770 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,2,0,0,0,0|1,0,1]=4 6771 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,2,0,0,0,0|1,0,1]=4 6772 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,2,0,0,0,0|1,0,1]=4 6773 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,2,0,0,0,0|1,0,1]=4 6774 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,2,0,0,0,0|1,0,1]=4 6775 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,2,0,0,0,0|1,0,1]=4 6776 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,2,0,0,0,0|1,0,1]=4 6777 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,2,0,0,0,0|1,0,1]=4 6778 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,2,0,0,0,0|1,0,1]=4 6779 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,2,0,0,0,0|1,0,1]=4 6780 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,2,0,0,0,0|1,0,1]=4 6781 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,2,0,0,0,0|1,0,1]=4 6782 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,2,0,0,0,0|1,0,1]=4 6783 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|0,0,2]=4 6784 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|0,0,2]=4 6785 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|0,0,2]=4 6786 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,2]=4 6787 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|0,0,2]=4 6788 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 6789 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 6790 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 6791 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|0,0,2]=4 6792 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|0,0,2]=4 6793 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|0,0,2]=4 6794 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|0,0,2]=4 6795 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|0,0,2]=4 6796 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|0,0,2]=4 6797 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,2,0,0,0,0|0,0,2]=4 6798 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,2,0,0,0,0|0,0,2]=4 6799 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,2,0,0,0,0|0,0,2]=4 6800 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,2,0,0,0,0|0,0,2]=4 6801 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,2,0,0,0,0|0,0,2]=4 6802 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,2,0,0,0,0|0,0,2]=4 6803 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,2,0,0,0,0|0,0,2]=4 6804 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,2,0,0,0,0|0,0,2]=4 6805 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,2,0,0,0,0|0,0,2]=4 6806 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|0,0,2]=4 6807 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|0,0,2]=4 6808 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|0,0,2]=4 6809 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|0,0,2]=4 6810 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|0,0,2]=4 6811 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 6812 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 6813 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|0,0,2]=4 6814 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|0,0,2]=4 6815 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,2,0,0,0,0|0,0,2]=4 6816 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,2,0,0,0,0|0,0,2]=4 6817 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,2,0,0,0,0|0,0,2]=4 6818 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,2,0,0,0,0|0,0,2]=4 6819 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,2,0,0,0,0|0,0,2]=4 6820 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,2,0,0,0,0|0,0,2]=4 6821 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,2,0,0,0,0|0,0,2]=4 6822 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|0,0,2]=4 6823 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,2,0,0,0,0|0,0,2]=4 6824 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,2,0,0,0,0|0,0,2]=4 6825 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,2,0,0,0,0|0,0,2]=4 6826 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|0,0,2]=4 6827 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|0,0,2]=4 6828 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,2,0,0,0,0|0,0,2]=4 6829 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,2,0,0,0,0|0,0,2]=4 6830 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|0,0,2]=4 6831 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|0,0,2]=4 6832 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,2,0,0,0,0|0,0,2]=4 6833 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,2,0,0,0,0|0,0,2]=4 6834 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,2,0,0,0,0|0,0,2]=4 6835 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,2,0,0,0,0|0,0,2]=4 6836 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|0,0,2]=4 6837 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|0,0,2]=4 6838 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,2,0,0,0,0|0,0,2]=4 6839 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,2,0,0,0,0|0,0,2]=4 6840 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|0,0,2]=4 6841 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|0,0,2]=4 6842 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,2,0,0,0,0|0,0,2]=4 6843 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,2,0,0,0,0|0,0,2]=4 6844 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|0,0,2]=4 6845 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|0,0,2]=4 6846 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|0,0,2]=4 6847 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|0,0,2]=4 6848 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|0,0,2]=4 6849 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|0,0,2]=4 6850 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|0,0,2]=4 6851 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|0,0,2]=4 6852 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|0,0,2]=4 6853 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|0,0,2]=4 6854 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|0,0,2]=4 6855 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|0,0,2]=4 6856 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|0,0,2]=4 6857 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,2,0,0,0,0|0,0,2]=4 6858 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 11a_106832991635_100009870042 [0,2,0,0,0,0|2,0,0]=4 6859 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 240690a_100102657272_100009870042 [0,2,0,0,0,0|2,0,0]=4 6860 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 527a_100102657272_100009870042 [0,2,0,0,0,0|2,0,0]=4 6861 B11R0.40 CNC(=O)CCCNCCC#N 2230a_100000740002_100011215226 [0,2,0,0,0,0|1,0,1]=4 6862 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,2,0,0,0,0|1,0,1]=4 6863 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,2,0,0,0,0|1,0,1]=4 6864 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,2,0,0,0,0|1,0,1]=4 6865 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,2,0,0,0,0|1,0,1]=4 6866 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,2,0,0,0,0|1,0,1]=4 6867 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,2,0,0,0,0|1,0,1]=4 6868 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,2,0,0,0,0|1,0,1]=4 6869 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,2,0,0,0,0|1,0,1]=4 6870 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,2,0,0,0,0|1,0,1]=4 6871 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,2,0,0,0,0|1,0,1]=4 6872 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,2,0,0,0,0|1,0,1]=4 6873 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,2,0,0,0,0|1,0,1]=4 6874 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,2,0,0,0,0|1,0,1]=4 6875 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,2,0,0,0,0|1,0,1]=4 6876 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,2,0,0,0,0|1,0,1]=4 6877 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,2,0,0,0,0|1,0,1]=4 6878 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,2,0,0,0,0|1,0,1]=4 6879 B11R0.40 CNC(=O)CCCOCCON 34a_100000700252_100000741757 [0,2,0,0,0,0|2,0,0]=4 6880 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,2,0,0,0,0|1,0,1]=4 6881 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,2,0,0,0,0|1,0,1]=4 6882 B11R0.40 CNC(=O)CCCSCCC#N 62a_100000741757_100011215226 [0,2,0,0,0,0|1,0,1]=4 6883 B11R0.40 CNC(=O)CCCSCCC#N 62a_100011215226_100000741757 [0,2,0,0,0,0|1,0,1]=4 6884 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,2,0,0,0,0|1,0,1]=4 6885 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,2,0,0,0,0|1,0,1]=4 6886 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,2,0,0,0,0|1,0,1]=4 6887 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,2,0,0,0,0|1,0,1]=4 6888 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,2,0,0,0,0|1,0,1]=4 6889 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,2,0,0,0,0|1,0,1]=4 6890 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,2,0,0,0,0|1,0,1]=4 6891 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,2,0,0,0,0|1,0,1]=4 6892 B11R0.40 CNC(=O)CCNCCCC#N 2230a_100000738227_100000687738 [0,2,0,0,0,0|1,0,1]=4 6893 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,2,0,0,0,0|1,0,0]=3 6894 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,2,0,0,0,0|1,0,1]=4 6895 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,2,0,0,0,0|1,0,1]=4 6896 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,2,0,0,0,0|1,0,1]=4 6897 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,2,0,0,0,0|1,0,1]=4 6898 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,2,0,0,0,0|1,0,1]=4 6899 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,2,0,0,0,0|1,0,1]=4 6900 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,2,0,0,0,0|1,0,1]=4 6901 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,2,0,0,0,0|1,0,1]=4 6902 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,2,0,0,0,0|1,0,1]=4 6903 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,2,0,0,0,0|1,0,1]=4 6904 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,2,0,0,0,0|1,0,1]=4 6905 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,2,0,0,0,0|1,0,1]=4 6906 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,2,0,0,0,0|1,0,1]=4 6907 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,2,0,0,0,0|1,0,1]=4 6908 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,2,0,0,0,0|1,0,1]=4 6909 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,2,0,0,0,0|1,0,1]=4 6910 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,2,0,0,0,0|1,0,1]=4 6911 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,2,0,0,0,0|1,0,1]=4 6912 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,2,0,0,0,0|1,0,1]=4 6913 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,2,0,0,0,0|1,0,1]=4 6914 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,2,0,0,0,0|1,0,1]=4 6915 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,2,0,0,0,0|1,0,1]=4 6916 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,2,0,0,0,0|1,0,1]=4 6917 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000687738_100000737683 [0,2,0,0,0,0|1,0,1]=4 6918 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000737683_100000687738 [0,2,0,0,0,0|1,0,1]=4 6919 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,2,0,0,0,0|1,0,0]=3 6920 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,2,0,0,0,0|1,0,0]=3 6921 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,2,0,0,0,0|1,0,1]=4 6922 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,2,0,0,0,0|1,0,1]=4 6923 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,2,0,0,0,0|1,0,1]=4 6924 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,2,0,0,0,0|1,0,1]=4 6925 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,2,0,0,0,0|1,0,1]=4 6926 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,2,0,0,0,0|1,0,1]=4 6927 B11R0.40 CNC(=O)CNCCCCC#N 2230a_100000693194_100000211819 [0,2,0,0,0,0|1,0,1]=4 6928 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,2,0,0,0,0|1,0,0]=3 6929 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,2,0,0,0,0|1,0,1]=4 6930 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,2,0,0,0,0|1,0,1]=4 6931 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,2,0,0,0,0|1,0,1]=4 6932 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,2,0,0,0,0|1,0,1]=4 6933 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,2,0,0,0,0|1,0,1]=4 6934 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,2,0,0,0,0|1,0,1]=4 6935 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,2,0,0,0,0|1,0,1]=4 6936 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,2,0,0,0,0|1,0,1]=4 6937 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,2,0,0,0,0|1,0,1]=4 6938 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,2,0,0,0,0|1,0,1]=4 6939 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,2,0,0,0,0|1,0,1]=4 6940 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,2,0,0,0,0|1,0,1]=4 6941 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,2,0,0,0,0|1,0,1]=4 6942 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,2,0,0,0,0|1,0,1]=4 6943 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,2,0,0,0,0|1,0,1]=4 6944 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,2,0,0,0,0|1,0,1]=4 6945 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,2,0,0,0,0|1,0,1]=4 6946 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,2,0,0,0,0|1,0,1]=4 6947 B11R0.40 CNC(=O)CSCCCCC#N 62a_100000183359_100000211819 [0,2,0,0,0,0|1,0,1]=4 6948 B11R0.40 CNC(=O)CSCCCCC#N 62a_100011219923_100000183359 [0,2,0,0,0,0|1,0,1]=4 6949 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,2,0,0,0,0|1,0,0]=3 6950 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,2,0,0,0,0|1,0,0]=3 6951 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,2,0,0,0,0|1,0,1]=4 6952 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,2,0,0,0,0|1,0,1]=4 6953 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,2,0,0,0,0|1,0,1]=4 6954 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,2,0,0,0,0|1,0,1]=4 6955 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,2,0,0,0,0|1,0,1]=4 6956 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,2,0,0,0,0|1,0,1]=4 6957 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100000061152_106832991635 [0,2,0,0,0,0|1,0,1]=4 6958 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100102657272_100000061152 [0,2,0,0,0,0|1,0,1]=4 6959 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100000061152_100102657272 [0,2,0,0,0,0|1,0,1]=4 6960 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100102657272_100000061152 [0,2,0,0,0,0|1,0,1]=4 6961 B11R0.40 CNC(=O)NCCCCCC#N 512a_100000061152_100102657272 [0,2,0,0,0,0|1,0,1]=4 6962 B11R0.40 CNC(=O)NCCCCCC#N 512a_106832991638_100000061152 [0,2,0,0,0,0|1,0,1]=4 6963 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,2,0,0,0,0|1,0,1]=4 6964 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,2,0,0,0,0|1,0,1]=4 6965 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,2,0,0,0,0|1,0,1]=4 6966 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,2,0,0,0,0|1,0,1]=4 6967 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,2,0,0,0,0|1,0,1]=4 6968 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,2,0,0,0,0|1,0,1]=4 6969 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,2,0,0,0,0|1,0,1]=4 6970 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,2,0,0,0,0|1,0,1]=4 6971 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,2,0,0,0,0|1,0,1]=4 6972 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,2,0,0,0,0|1,0,1]=4 6973 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,2,0,0,0,0|1,0,1]=4 6974 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,2,0,0,0,0|0,0,2]=4 6975 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,2,0,0,0,0|0,0,2]=4 6976 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,2,0,0,0,0|0,0,2]=4 6977 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,2,0,0,0,0|1,0,1]=4 6978 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,2,0,0,0,0|1,0,1]=4 6979 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|0,0,2]=4 6980 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|0,0,2]=4 6981 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,2,0,0,0,0|0,0,2]=4 6982 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,2,0,0,0,0|0,0,2]=4 6983 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,2,0,0,0,0|0,0,2]=4 6984 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,2,0,0,0,0|0,0,2]=4 6985 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,2,0,0,0,0|1,0,1]=4 6986 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,2,0,0,0,0|1,0,1]=4 6987 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,2,0,0,0,0|1,0,1]=4 6988 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,2,0,0,0,0|1,0,1]=4 6989 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,2,0,0,0,0|1,0,1]=4 6990 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,2,0,0,0,0|1,0,1]=4 6991 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,2,0,0,0,0|1,0,1]=4 6992 B11R0.40 COC(=O)CCCCOCC#N 7a_100000059025_100011215382 [0,2,0,0,0,0|1,0,1]=4 6993 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,2,0,0,0,0|1,0,0]=3 6994 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,2,0,0,0,0|1,0,0]=3 6995 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,2,0,0,0,0|1,0,1]=4 6996 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,2,0,0,0,0|1,0,1]=4 6997 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,2,0,0,0,0|1,0,1]=4 6998 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,2,0,0,0,0|1,0,1]=4 6999 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,2,0,0,0,0|1,0,1]=4 7000 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,2,0,0,0,0|1,0,1]=4 7001 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,2,0,0,0,0|1,0,1]=4 7002 B11R0.40 COC(=O)CCCCSCC#N 62a_100000204269_100011215382 [0,2,0,0,0,0|1,0,1]=4 7003 B11R0.40 COC(=O)CCCCSCC#N 62a_100011215382_100000204269 [0,2,0,0,0,0|1,0,1]=4 7004 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,2,0,0,0,0|1,0,0]=3 7005 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,2,0,0,0,0|1,0,0]=3 7006 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,2,0,0,0,0|1,0,1]=4 7007 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,2,0,0,0,0|1,0,1]=4 7008 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,2,0,0,0,0|1,0,1]=4 7009 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,2,0,0,0,0|1,0,1]=4 7010 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,2,0,0,0,0|1,0,1]=4 7011 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,2,0,0,0,0|1,0,1]=4 7012 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,2,0,0,0,0|1,0,1]=4 7013 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,2,0,0,0,0|1,0,1]=4 7014 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,2,0,0,0,0|1,0,1]=4 7015 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,2,0,0,0,0|1,0,1]=4 7016 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,2,0,0,0,0|1,0,1]=4 7017 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,2,0,0,0,0|1,0,1]=4 7018 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,2,0,0,0,0|1,0,1]=4 7019 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [0,2,0,0,0,0|2,0,0]=4 7020 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,2,0,0,0,0|1,0,1]=4 7021 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,2,0,0,0,0|1,0,1]=4 7022 B11R0.40 COC(=O)CCCSCCC#N 62a_100011215226_100011218270 [0,2,0,0,0,0|1,0,1]=4 7023 B11R0.40 COC(=O)CCCSCCC#N 62a_100011218270_100011215226 [0,2,0,0,0,0|1,0,1]=4 7024 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,2,0,0,0,0|1,0,1]=4 7025 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,2,0,0,0,0|1,0,1]=4 7026 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,2,0,0,0,0|1,0,1]=4 7027 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,2,0,0,0,0|1,0,1]=4 7028 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,2,0,0,0,0|1,0,1]=4 7029 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,2,0,0,0,0|1,0,1]=4 7030 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,2,0,0,0,0|1,0,1]=4 7031 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,1]=4 7032 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,2,0,0,0,0|1,0,1]=4 7033 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,2,0,0,0,0|1,0,1]=4 7034 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,2,0,0,0,0|1,0,1]=4 7035 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,2,0,0,0,0|1,0,1]=4 7036 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,2,0,0,0,0|1,0,1]=4 7037 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,2,0,0,0,0|1,0,1]=4 7038 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,2,0,0,0,0|1,0,1]=4 7039 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,1]=4 7040 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,2,0,0,0,0|1,0,1]=4 7041 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,2,0,0,0,0|1,0,1]=4 7042 B11R0.40 COC(=O)CCSCCCC#N 62a_100000204255_100000687738 [0,2,0,0,0,0|1,0,1]=4 7043 B11R0.40 COC(=O)CCSCCCC#N 62a_100000687738_100000204255 [0,2,0,0,0,0|1,0,1]=4 7044 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,2,0,0,0,0|1,0,0]=3 7045 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,2,0,0,0,0|1,0,0]=3 7046 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,2,0,0,0,0|1,0,1]=4 7047 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,2,0,0,0,0|1,0,1]=4 7048 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,2,0,0,0,0|1,0,1]=4 7049 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,2,0,0,0,0|1,0,1]=4 7050 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 7051 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 7052 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,2,0,0,0,0|1,0,1]=4 7053 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,2,0,0,0,0|1,0,1]=4 7054 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 7055 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 7056 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,2,0,0,0,0|1,0,1]=4 7057 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,2,0,0,0,0|1,0,1]=4 7058 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 7059 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,2,0,0,0,0|1,0,1]=4 7060 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,2,0,0,0,0|1,0,1]=4 7061 B11R0.40 COC(=O)COCCSCC=O 62a_100000090808_200015260668 [0,2,0,0,0,0|2,0,0]=4 7062 B11R0.40 COC(=O)COCCSCC=O 62a_200015260668_100000090808 [0,2,0,0,0,0|2,0,0]=4 7063 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,2,0,0,0,0|1,0,1]=4 7064 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,2,0,0,0,0|1,0,1]=4 7065 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,2,0,0,0,0|1,0,0]=3 7066 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,2,0,0,0,0|1,0,0]=3 7067 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,2,0,0,0,0|1,0,1]=4 7068 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,2,0,0,0,0|1,0,1]=4 7069 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 7070 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,2,0,0,0,0|1,0,1]=4 7071 B11R0.40 COC(=O)OCSCCCC=O 62a_200011292268_100000139417 [0,2,0,0,0,0|2,0,0]=4 7072 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|0,0,2]=4 7073 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|0,0,2]=4 7074 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|0,0,2]=4 7075 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|0,0,2]=4 7076 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|1,0,1]=4 7077 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|1,0,1]=4 7078 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,2,0,0,0,0|1,0,1]=4 7079 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,2,0,0,0,0|1,0,1]=4 7080 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,2,0,0,0,0|1,0,1]=4 7081 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,2,0,0,0,0|1,0,1]=4 7082 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,2,0,0,0,0|1,0,1]=4 7083 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,2,0,0,0,0|1,0,1]=4 7084 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,2,0,0,0,0|1,0,1]=4 7085 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,2,0,0,0,0|1,0,1]=4 7086 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,2,0,0,0,0|1,0,1]=4 7087 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,2,0,0,0,0|1,0,1]=4 7088 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,2,0,0,0,0|1,0,1]=4 7089 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,2,0,0,0,0|1,0,1]=4 7090 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,2,0,0,0,0|1,0,1]=4 7091 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,2,0,0,0,0|1,0,1]=4 7092 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,2,0,0,0,0|0,0,2]=4 7093 B11R0.40 N#CCCCCCNC(=O)CO 240690a_100000061152_100000210174 [0,2,0,0,0,0|1,0,1]=4 7094 B11R0.40 N#CCCCCCNC(=O)CO 527a_100000061152_100000210174 [0,2,0,0,0,0|1,0,1]=4 7095 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,2,0,0,0,0|0,0,2]=4 7096 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|0,0,2]=4 7097 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|1,0,1]=4 7098 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|1,0,1]=4 7099 B11R0.40 [N-]=[N+]=NCCCCCC(=O)CF 1458a_100009870042_100015361967 [0,2,0,0,0,0|2,0,0]=4 7100 B11R0.42 C#CCCCCCC(=O)C(=C)C 1458a_100000185857_100012094781 [0,2,0,0,0,0|0,0,2]=4 7101 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000210198_100012094781 [0,2,0,0,0,0|0,0,2]=4 7102 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000694772_100000210206 [0,2,0,0,0,0|0,0,2]=4 7103 B11R0.42 C#CCCCCCC(=O)C(C)F 1458a_100000062450_100012094781 [0,2,0,0,0,0|0,0,2]=4 7104 B11R0.42 C#CCCCCCC(=O)C(O)O 1458a_100000233687_100012094781 [0,2,0,0,0,0|0,0,2]=4 7105 B11R0.42 C#CCCCCCC(=O)N(C)C 11a_100102631434_100000694772 [0,2,0,0,0,0|0,0,2]=4 7106 B11R0.42 C#CCCCCCC(=O)N(C)C 1626a_100102631434_100000694772 [0,2,0,0,0,0|0,0,2]=4 7107 B11R0.42 C#CCCCCCC(=O)N(C)C 240690a_100102631434_100000694772 [0,2,0,0,0,0|0,0,2]=4 7108 B11R0.42 C#CCCCCCC(=O)N(C)C 527a_100102631434_100000694772 [0,2,0,0,0,0|0,0,2]=4 7109 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [0,2,0,0,0,0|0,0,2]=4 7110 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [0,2,0,0,0,0|0,0,2]=4 7111 B11R0.42 C#CCCCCNC(C)C(=O)C 2230a_100000706060_100009814033 [0,2,0,0,0,0|0,0,2]=4 7112 B11R0.42 C#CCCCCOC(C)C(=O)C 34a_100000212229_100010269958 [0,2,0,0,0,0|0,0,2]=4 7113 B11R0.42 C#CCCCCOC(C)C(=O)C 7a_100000766709_100000179758 [0,2,0,0,0,0|0,0,2]=4 7114 B11R0.42 C#CCCCCSC(C)C(=O)C 62a_100009814033_100010269958 [0,2,0,0,0,0|0,0,2]=4 7115 B11R0.42 C#CCCCCSC(C)C(=O)C 62a_100010269958_100009814033 [0,2,0,0,0,0|0,0,2]=4 7116 B11R0.42 C#CCCCOCC(C)C(=O)C 34a_100000032740_100000695029 [0,2,0,0,0,0|0,0,2]=4 7117 B11R0.42 C#CCCCOCC(C)C(=O)C 7a_100000032740_100011215417 [0,2,0,0,0,0|0,0,2]=4 7118 B11R0.42 C/C=C/CCOCC(=O)C(=O)C 34a_100016278192_100011261029 [0,2,0,0,0,0|1,0,1]=4 7119 B11R0.42 C=C(C)C(=O)CCCCCC#N 1458a_100000185857_100009813376 [0,2,0,0,0,0|1,0,1]=4 7120 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,2,0,0,0,0|0,0,2]=4 7121 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,2,0,0,0,0|1,0,1]=4 7122 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,2,0,0,0,0|1,0,1]=4 7123 B11R0.42 C=CCCCCCC(=O)C(=C)C 1458a_100000185857_100000700193 [0,2,0,0,0,0|0,0,0]=2 7124 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [0,2,0,0,0,0|0,0,0]=2 7125 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [0,2,0,0,0,0|0,0,0]=2 7126 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [0,2,0,0,0,0|0,0,0]=2 7127 B11R0.42 C=CCCCCCC(=O)C(O)O 1458a_100000233687_100000700193 [0,2,0,0,0,0|0,0,0]=2 7128 B11R0.42 C=CCCCCCC(=O)N(C)C 11a_100102631434_100011934241 [0,2,0,0,0,0|0,0,0]=2 7129 B11R0.42 C=CCCCCCC(=O)N(C)C 1626a_100102631434_100011934241 [0,2,0,0,0,0|0,0,0]=2 7130 B11R0.42 C=CCCCCCC(=O)N(C)C 240690a_100102631434_100011934241 [0,2,0,0,0,0|0,0,0]=2 7131 B11R0.42 C=CCCCCCC(=O)N(C)C 527a_100102631434_100011934241 [0,2,0,0,0,0|0,0,0]=2 7132 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,2,0,0,0,0|0,0,0]=2 7133 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,2,0,0,0,0|0,0,0]=2 7134 B11R0.42 C=CCCCCCN(C)C(C)C 269982a_200000211004_100000700193 [0,2,0,0,0,0|1,0,1]=4 7135 B11R0.42 C=CCCCCNC(=O)C(=C)Br 11a_100000703577_100009813364 [0,2,0,0,0,0|1,0,1]=4 7136 B11R0.42 C=CCCCCNC(=O)C(=C)Br 1626a_100000703577_100009813364 [0,2,0,0,0,0|1,0,1]=4 7137 B11R0.42 C=CCCCCNC(=O)C(=C)C 11a_100000703577_100000185857 [0,2,0,0,0,0|1,0,0]=3 7138 B11R0.42 C=CCCCCNC(=O)C(=C)C 1626a_100000703577_100000185857 [0,2,0,0,0,0|1,0,0]=3 7139 B11R0.42 C=CCCCCNC(=O)C(=C)Cl 11a_100000703577_100000039160 [0,2,0,0,0,0|1,0,1]=4 7140 B11R0.42 C=CCCCCNC(=O)C(=C)Cl 1626a_100000703577_100000039160 [0,2,0,0,0,0|1,0,1]=4 7141 B11R0.42 C=CCCCCNC(=O)C(=C)F 11a_100000703577_100000036797 [0,2,0,0,0,0|1,0,1]=4 7142 B11R0.42 C=CCCCCNC(=O)C(=C)F 1626a_100000703577_100000036797 [0,2,0,0,0,0|1,0,1]=4 7143 B11R0.42 C=CCCCCNC(=O)C(=O)N 240690a_100000703577_100011215815 [0,2,0,0,0,0|1,0,1]=4 7144 B11R0.42 C=CCCCCNC(=O)C(C)C 11a_100000703577_100000210198 [0,2,0,0,0,0|1,0,0]=3 7145 B11R0.42 C=CCCCCNC(=O)C(C)C 1626a_100000703577_100000210198 [0,2,0,0,0,0|1,0,0]=3 7146 B11R0.42 C=CCCCCNC(=O)C(C)C 240690a_100000703577_100000210198 [0,2,0,0,0,0|1,0,0]=3 7147 B11R0.42 C=CCCCCNC(=O)C(C)C 527a_100000703577_100000210198 [0,2,0,0,0,0|1,0,0]=3 7148 B11R0.42 C=CCCCCNC(=O)C(C)F 11a_100000703577_100000062450 [0,2,0,0,0,0|1,0,0]=3 7149 B11R0.42 C=CCCCCNC(=O)C(C)F 1626a_100000703577_100000062450 [0,2,0,0,0,0|1,0,0]=3 7150 B11R0.42 C=CCCCCNC(=O)C(C)F 240690a_100000703577_100000062450 [0,2,0,0,0,0|1,0,0]=3 7151 B11R0.42 C=CCCCCNC(=O)C(C)F 527a_100000703577_100000062450 [0,2,0,0,0,0|1,0,0]=3 7152 B11R0.42 C=CCCCCNC(=O)C(F)F 11a_100000703577_100000210393 [0,2,0,0,0,0|1,0,0]=3 7153 B11R0.42 C=CCCCCNC(=O)C(F)F 1626a_100000703577_100000210393 [0,2,0,0,0,0|1,0,0]=3 7154 B11R0.42 C=CCCCCNC(=O)C(F)F 240690a_100000703577_100000210393 [0,2,0,0,0,0|1,0,0]=3 7155 B11R0.42 C=CCCCCNC(=O)C(F)F 527a_100000703577_100000210393 [0,2,0,0,0,0|1,0,0]=3 7156 B11R0.42 C=CCCCCNC(=O)C(O)O 240690a_100000703577_100000233687 [0,2,0,0,0,0|1,0,0]=3 7157 B11R0.42 C=CCCCCNC(=O)N(C)C 2708a_100000703577_100102631434 [0,2,0,0,0,0|1,0,0]=3 7158 B11R0.42 C=CCCCCNC(=O)[C@@H](C)O 240690a_100000703577_100000717761 [0,2,0,0,0,0|1,0,0]=3 7159 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 1626a_100000703577_217856618621 [0,2,0,0,0,0|1,0,0]=3 7160 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 240690a_100000703577_217856618621 [0,2,0,0,0,0|1,0,0]=3 7161 B11R0.42 C=CCCCCNC(C)C(=C)C 269862a_100000703577_100011216138 [0,2,0,0,0,0|1,0,0]=3 7162 B11R0.42 C=CCCCCNC(C)C(=O)C 2230a_100000703577_100009814033 [0,2,0,0,0,0|0,0,0]=2 7163 B11R0.42 C=CCCCCNC(C)C(=O)N 2230a_100000703577_100000702099 [0,2,0,0,0,0|1,0,0]=3 7164 B11R0.42 C=CCCCCNC(C)C(=O)N 34a_100000703577_100000702099 [0,2,0,0,0,0|1,0,0]=3 7165 B11R0.42 C=CCCCCNC(C)C(C)C 2230a_100000211541_100011215482 [0,2,0,0,0,0|1,0,1]=4 7166 B11R0.42 C=CCCCCNC(F)C(=O)N 2230a_100000703577_100009813875 [0,2,0,0,0,0|1,0,0]=3 7167 B11R0.42 C=CCCCCNC(F)C(=O)N 34a_100000703577_100009813875 [0,2,0,0,0,0|1,0,0]=3 7168 B11R0.42 C=CCCCCNC(F)C(=O)[O-] 34a_100000703577_100020610796 [0,2,0,0,0,0|1,0,0]=3 7169 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,2,0,0,0,0|1,0,0]=3 7170 B11R0.42 C=CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215482 [0,2,0,0,0,0|1,0,0]=3 7171 B11R0.42 C=CCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215482 [0,2,0,0,0,0|1,0,0]=3 7172 B11R0.42 C=CCCCCOC(C)C(=O)C 34a_100000212229_100011215482 [0,2,0,0,0,0|0,0,0]=2 7173 B11R0.42 C=CCCCCOC(C)C(=O)C 7a_100000766645_100000179758 [0,2,0,0,0,0|0,0,0]=2 7174 B11R0.42 C=CCCCCOC(C)C(=O)N 34a_100000766645_100000702099 [0,2,0,0,0,0|1,0,0]=3 7175 B11R0.42 C=CCCCCOC(C)C(=O)N 7a_100000766645_100000702099 [0,2,0,0,0,0|1,0,0]=3 7176 B11R0.42 C=CCCCCOC(C)C(C)C 7a_100000748068_100011215482 [0,2,0,0,0,0|1,0,1]=4 7177 B11R0.42 C=CCCCCOC(F)C(=O)N 34a_100000766645_100009813875 [0,2,0,0,0,0|1,0,0]=3 7178 B11R0.42 C=CCCCCOC(F)C(=O)N 7a_100000766645_100009813875 [0,2,0,0,0,0|1,0,0]=3 7179 B11R0.42 C=CCCCCOC(F)C(=O)[O-] 34a_100000766645_100020610796 [0,2,0,0,0,0|1,0,0]=3 7180 B11R0.42 C=CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215482 [0,2,0,0,0,0|1,0,0]=3 7181 B11R0.42 C=CCCCCO[C@H](C)C(=O)C 1458a_200020631580_200000210301 [0,2,0,0,0,0|0,0,0]=2 7182 B11R0.42 C=CCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215482 [0,2,0,0,0,0|1,0,0]=3 7183 B11R0.42 C=CCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215482 [0,2,0,0,0,0|1,0,0]=3 7184 B11R0.42 C=CCCCCO[C@H](C)C(=O)[13CH3] 1458a_200020631580_200025704644 [0,2,0,0,0,0|0,0,0]=2 7185 B11R0.42 C=CCCCCSC(C)C(=O)C 62a_100009814033_100011215482 [0,2,0,0,0,0|0,0,0]=2 7186 B11R0.42 C=CCCCCSC(C)C(=O)C 62a_100011215482_100009814033 [0,2,0,0,0,0|0,0,0]=2 7187 B11R0.42 C=CCCCCSC(C)C(=O)N 62a_100000702099_100011215482 [0,2,0,0,0,0|1,0,0]=3 7188 B11R0.42 C=CCCCCSC(C)C(=O)N 62a_100011215482_100000702099 [0,2,0,0,0,0|1,0,0]=3 7189 B11R0.42 C=CCCCCSC(F)C(=O)N 62a_100009813875_100011215482 [0,2,0,0,0,0|1,0,0]=3 7190 B11R0.42 C=CCCCCSC(F)C(=O)N 62a_100011215482_100009813875 [0,2,0,0,0,0|1,0,0]=3 7191 B11R0.42 C=CCCCCSC(F)C(=O)[O-] 62a_100011215482_100020610796 [0,2,0,0,0,0|1,0,0]=3 7192 B11R0.42 C=CCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215482 [0,2,0,0,0,0|1,0,0]=3 7193 B11R0.42 C=CCCCNCC(=O)C(=O)C 34a_100000700776_100011261029 [0,2,0,0,0,0|0,0,1]=3 7194 B11R0.42 C=CCCCNCC(=O)C(C)C 2230a_100000700776_100000753385 [0,2,0,0,0,0|1,0,0]=3 7195 B11R0.42 C=CCCCNCC(=O)C(C)C 34a_100000700776_100000753385 [0,2,0,0,0,0|1,0,0]=3 7196 B11R0.42 C=CCCCNCC(=O)N(C)C 2230a_100000700776_100000185267 [0,2,0,0,0,0|1,0,0]=3 7197 B11R0.42 C=CCCCNCC(=O)N(C)C 2230a_100015183351_100011713584 [0,2,0,0,0,0|1,0,0]=3 7198 B11R0.42 C=CCCCNCC(=O)N(C)C 34a_100000700776_100000692301 [0,2,0,0,0,0|1,0,0]=3 7199 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,2,0,0,0,0|1,0,0]=3 7200 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,2,0,0,0,0|1,0,0]=3 7201 B11R0.42 C=CCCCNCC(O)C(C)C 2230a_100000759067_100011713584 [0,2,0,0,0,0|1,0,1]=4 7202 B11R0.42 C=CCCCNCC(O)C(C)C 34a_100000759067_100000757094 [0,2,0,0,0,0|1,0,1]=4 7203 B11R0.42 C=CCCCOCC(=O)C(=O)C 34a_100000758997_100011261029 [0,2,0,0,0,0|0,0,1]=3 7204 B11R0.42 C=CCCCOCC(=O)C(C)C 34a_100000758997_100000753385 [0,2,0,0,0,0|1,0,0]=3 7205 B11R0.42 C=CCCCOCC(=O)C(C)C 7a_100000758997_100000753385 [0,2,0,0,0,0|1,0,0]=3 7206 B11R0.42 C=CCCCOCC(=O)N(C)C 34a_100000758997_100000692301 [0,2,0,0,0,0|1,0,0]=3 7207 B11R0.42 C=CCCCOCC(=O)N(C)C 7a_100000758997_100000692301 [0,2,0,0,0,0|1,0,0]=3 7208 B11R0.42 C=CCCCOCC(C)C(=O)C 34a_100000032740_100000757094 [0,2,0,0,0,0|0,0,0]=2 7209 B11R0.42 C=CCCCOCC(C)C(=O)C 7a_100000032740_100000757094 [0,2,0,0,0,0|0,0,0]=2 7210 B11R0.42 C=CCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000757094 [0,2,0,0,0,0|1,0,1]=4 7211 B11R0.42 C=CCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000757094 [0,2,0,0,0,0|1,0,1]=4 7212 B11R0.42 C=CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000757094 [0,2,0,0,0,0|1,0,0]=3 7213 B11R0.42 C=CCCCOC[C@H](N)C(C)C 34a_100011830312_100000757094 [0,2,0,0,0,0|1,0,1]=4 7214 B11R0.42 C=CCCCSCC(=O)C(=O)C 62a_100011261029_100000757094 [0,2,0,0,0,0|0,0,1]=3 7215 B11R0.42 C=CCCCSCC(=O)C(=O)C 62a_100011713584_100011261029 [0,2,0,0,0,0|0,0,1]=3 7216 B11R0.42 C=CCCCSCC(=O)C(C)C 62a_100000753385_100000757094 [0,2,0,0,0,0|1,0,0]=3 7217 B11R0.42 C=CCCCSCC(=O)C(C)C 62a_100011713584_100000753385 [0,2,0,0,0,0|1,0,0]=3 7218 B11R0.42 C=CCCCSCC(=O)N(C)C 62a_100000692301_100000757094 [0,2,0,0,0,0|1,0,0]=3 7219 B11R0.42 C=CCCCSCC(=O)N(C)C 62a_100011713584_100000692301 [0,2,0,0,0,0|1,0,0]=3 7220 B11R0.42 C=CCCNCCC(=O)N(C)C 2230a_100000738053_100000754431 [0,2,0,0,0,0|1,0,0]=3 7221 B11R0.42 C=CCCNCCC(=O)N(C)C 2230a_100015191253_100000737620 [0,2,0,0,0,0|1,0,0]=3 7222 B11R0.42 C=CCCOCCC(=O)N(C)C 34a_200000747469_100000754431 [0,2,0,0,0,0|1,0,0]=3 7223 B11R0.42 C=CCCOCCC(N)C(C)C 34a_100161115045_100000754431 [0,2,0,0,0,0|1,0,1]=4 7224 B11R0.42 C=CCCSCCC(=O)N(C)C 62a_100000737620_100000754431 [0,2,0,0,0,0|1,0,0]=3 7225 B11R0.42 C=CCCSCCC(=O)N(C)C 62a_100000754431_100000737620 [0,2,0,0,0,0|1,0,0]=3 7226 B11R0.42 C=CCCSCOC(=O)C(C)C 62a_100000139345_100000754431 [0,2,0,0,0,0|2,0,0]=4 7227 B11R0.42 C=CCCSCOC(=O)C(C)C 62a_100000754431_100000139345 [0,2,0,0,0,0|2,0,0]=4 7228 B11R0.42 C=CCNCCCC(=O)N(C)C 2230a_100020586998_100000737642 [0,2,0,0,0,0|1,0,0]=3 7229 B11R0.42 C=CCNCCCC(=O)N(C)C 2230a_200000744827_100000210623 [0,2,0,0,0,0|1,0,0]=3 7230 B11R0.42 C=CCNCCNC(=O)C(=C)C 2230a_100102636416_100000210623 [0,2,0,0,0,0|2,0,0]=4 7231 B11R0.42 C=CCNCCNC(=O)C(C)C 2230a_100000752568_100000210623 [0,2,0,0,0,0|2,0,0]=4 7232 B11R0.42 C=CCNCCNC(=O)C(C)C 34a_100000752568_100015514636 [0,2,0,0,0,0|2,0,0]=4 7233 B11R0.42 C=CCNCCOC(=O)C(=C)C 2230a_100020586998_100009816335 [0,2,0,0,0,0|2,0,0]=4 7234 B11R0.42 C=CCOCCOC(=O)C(=C)C 34a_200000210373_100009816335 [0,2,0,0,0,0|2,0,0]=4 7235 B11R0.42 C=CCOCCOC(C)C(=O)C 7a_100000037705_100000179758 [0,2,0,0,0,0|1,0,0]=3 7236 B11R0.42 C=CCOCCOC(C)C(=O)N 34a_100000037705_100000702099 [0,2,0,0,0,0|2,0,0]=4 7237 B11R0.42 C=CCOCCOC(C)C(=O)N 7a_100000037705_100000702099 [0,2,0,0,0,0|2,0,0]=4 7238 B11R0.42 C=CCOCCOC(F)C(=O)N 34a_100000037705_100009813875 [0,2,0,0,0,0|2,0,0]=4 7239 B11R0.42 C=CCOCCOC(F)C(=O)N 7a_100000037705_100009813875 [0,2,0,0,0,0|2,0,0]=4 7240 B11R0.42 C=CCOCCOC(F)C(=O)[O-] 34a_100000037705_100020610796 [0,2,0,0,0,0|2,0,0]=4 7241 B11R0.42 C=CCSCCCC(=O)N(C)C 62a_100000210623_100000737642 [0,2,0,0,0,0|1,0,0]=3 7242 B11R0.42 C=CCSCCCC(=O)N(C)C 62a_100000737642_100000210623 [0,2,0,0,0,0|1,0,0]=3 7243 B11R0.42 C=CCSCCOC(=O)C(=C)C 62a_100000210623_100009816335 [0,2,0,0,0,0|2,0,0]=4 7244 B11R0.42 C=CCSCCOC(=O)C(=C)C 62a_100009816335_100000210623 [0,2,0,0,0,0|2,0,0]=4 7245 B11R0.42 C=COCCCNC(=O)C(=C)C 11a_100000210767_100000185857 [0,2,0,0,0,0|2,0,0]=4 7246 B11R0.42 C=COCCCNC(=O)C(=C)C 1626a_100000210767_100000185857 [0,2,0,0,0,0|2,0,0]=4 7247 B11R0.42 C=COCCCNC(=O)C(C)C 11a_100000210767_100000210198 [0,2,0,0,0,0|2,0,0]=4 7248 B11R0.42 C=COCCCNC(=O)C(C)C 1626a_100000210767_100000210198 [0,2,0,0,0,0|2,0,0]=4 7249 B11R0.42 C=COCCCNC(=O)C(C)C 240690a_100000210767_100000210198 [0,2,0,0,0,0|2,0,0]=4 7250 B11R0.42 C=COCCCNC(=O)C(C)C 527a_100000210767_100000210198 [0,2,0,0,0,0|2,0,0]=4 7251 B11R0.42 C=COCCCNC(=O)C(C)F 11a_100000210767_100000062450 [0,2,0,0,0,0|2,0,0]=4 7252 B11R0.42 C=COCCCNC(=O)C(C)F 1626a_100000210767_100000062450 [0,2,0,0,0,0|2,0,0]=4 7253 B11R0.42 C=COCCCNC(=O)C(C)F 240690a_100000210767_100000062450 [0,2,0,0,0,0|2,0,0]=4 7254 B11R0.42 C=COCCCNC(=O)C(C)F 527a_100000210767_100000062450 [0,2,0,0,0,0|2,0,0]=4 7255 B11R0.42 C=COCCCNC(=O)C(F)F 11a_100000210767_100000210393 [0,2,0,0,0,0|2,0,0]=4 7256 B11R0.42 C=COCCCNC(=O)C(F)F 1626a_100000210767_100000210393 [0,2,0,0,0,0|2,0,0]=4 7257 B11R0.42 C=COCCCNC(=O)C(F)F 240690a_100000210767_100000210393 [0,2,0,0,0,0|2,0,0]=4 7258 B11R0.42 C=COCCCNC(=O)C(F)F 527a_100000210767_100000210393 [0,2,0,0,0,0|2,0,0]=4 7259 B11R0.42 C=COCCCNC(=O)C(O)O 240690a_100000210767_100000233687 [0,2,0,0,0,0|2,0,0]=4 7260 B11R0.42 C=COCCCNC(=O)N(C)C 2708a_100000210767_100102631434 [0,2,0,0,0,0|2,0,0]=4 7261 B11R0.42 C=COCCCNC(=O)[C@@H](C)O 240690a_100000210767_100000717761 [0,2,0,0,0,0|2,0,0]=4 7262 B11R0.42 C=COCCCNC(=O)[C@H](C)O 1626a_100000210767_217856618621 [0,2,0,0,0,0|2,0,0]=4 7263 B11R0.42 C=COCCCNC(=O)[C@H](C)O 240690a_100000210767_217856618621 [0,2,0,0,0,0|2,0,0]=4 7264 B11R0.42 C=COCCCNC(C)C(=C)C 269862a_100000210767_100011216138 [0,2,0,0,0,0|2,0,0]=4 7265 B11R0.42 C=COCCCNC(C)C(=O)C 2230a_100000210767_100009814033 [0,2,0,0,0,0|1,0,0]=3 7266 B11R0.42 C=COCCCNC(C)C(=O)N 2230a_100000210767_100000702099 [0,2,0,0,0,0|2,0,0]=4 7267 B11R0.42 C=COCCCNC(C)C(=O)N 34a_100000210767_100000702099 [0,2,0,0,0,0|2,0,0]=4 7268 B11R0.42 C=COCCCNC(F)C(=O)N 2230a_100000210767_100009813875 [0,2,0,0,0,0|2,0,0]=4 7269 B11R0.42 C=COCCCNC(F)C(=O)N 34a_100000210767_100009813875 [0,2,0,0,0,0|2,0,0]=4 7270 B11R0.42 C=COCCCNC(F)C(=O)[O-] 34a_100000210767_100020610796 [0,2,0,0,0,0|2,0,0]=4 7271 B11R0.42 C=COCCNCC(=O)N(C)C 2230a_100015183351_100000039644 [0,2,0,0,0,0|2,0,0]=4 7272 B11R0.42 C=COCCNCC(C)C(=O)O 269956a_100000749485_100000039644 [0,2,0,0,0,0|2,0,0]=4 7273 B11R0.42 C=COCCNCC(F)C(=O)O 269956a_100000084737_100000039644 [0,2,0,0,0,0|2,0,0]=4 7274 B11R0.42 C=COCCOCC(=O)C(=O)C 34a_100000033082_100011261029 [0,2,0,0,0,0|1,0,1]=4 7275 B11R0.42 C=COCCOCC(=O)C(C)C 34a_100000033082_100000753385 [0,2,0,0,0,0|2,0,0]=4 7276 B11R0.42 C=COCCOCC(=O)N(C)C 34a_100000033082_100000692301 [0,2,0,0,0,0|2,0,0]=4 7277 B11R0.42 C=COCCOCC(C)C(=O)C 34a_100000032740_100000039644 [0,2,0,0,0,0|1,0,0]=3 7278 B11R0.42 C=COCCOCC(C)C(=O)C 7a_100000032740_100000039644 [0,2,0,0,0,0|1,0,0]=3 7279 B11R0.42 C=COCCOC[C@H](N)C(=O)N 34a_100000729942_100000039644 [0,2,0,0,0,0|2,0,0]=4 7280 B11R0.42 C=COCCSCC(=O)C(=O)C 62a_100000039644_100011261029 [0,2,0,0,0,0|1,0,1]=4 7281 B11R0.42 C=COCCSCC(=O)C(=O)C 62a_100011261029_100000039644 [0,2,0,0,0,0|1,0,1]=4 7282 B11R0.42 C=COCCSCC(=O)C(C)C 62a_100000039644_100000753385 [0,2,0,0,0,0|2,0,0]=4 7283 B11R0.42 C=COCCSCC(=O)C(C)C 62a_100000753385_100000039644 [0,2,0,0,0,0|2,0,0]=4 7284 B11R0.42 C=COCCSCC(=O)N(C)C 62a_100000039644_100000692301 [0,2,0,0,0,0|2,0,0]=4 7285 B11R0.42 C=COCCSCC(=O)N(C)C 62a_100000692301_100000039644 [0,2,0,0,0,0|2,0,0]=4 7286 B11R0.42 CC(=O)C(=O)CSCCCC=O 62a_100011261029_200011292268 [0,2,0,0,0,0|1,0,1]=4 7287 B11R0.42 CC(=O)C(=O)CSCCCC=O 62a_200011292268_100011261029 [0,2,0,0,0,0|1,0,1]=4 7288 B11R0.42 CC(=O)C(C)COCCCC#N 7a_100000032740_100000687738 [0,2,0,0,0,0|1,0,1]=4 7289 B11R0.42 CC(=O)C(C)COCCCC=O 7a_100000032740_200011292268 [0,2,0,0,0,0|1,0,0]=3 7290 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [0,2,0,0,0,0|1,0,1]=4 7291 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [0,2,0,0,0,0|1,0,1]=4 7292 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,2,0,0,0,0|1,0,1]=4 7293 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,2,0,0,0,0|1,0,1]=4 7294 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,2,0,0,0,0|1,0,1]=4 7295 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [0,2,0,0,0,0|1,0,1]=4 7296 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [0,2,0,0,0,0|1,0,1]=4 7297 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [0,2,0,0,0,0|1,0,1]=4 7298 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [0,2,0,0,0,0|1,0,1]=4 7299 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,2,0,0,0,0|1,0,1]=4 7300 B11R0.42 CC(=O)C(C)SCCCCC#N 62a_100009814033_100000211819 [0,2,0,0,0,0|1,0,1]=4 7301 B11R0.42 CC(=O)C(C)SCCCCC#N 62a_100011219923_100009814033 [0,2,0,0,0,0|1,0,1]=4 7302 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100000139335_100009814033 [0,2,0,0,0,0|1,0,0]=3 7303 B11R0.42 CC(=O)C(C)SCCCCC=O 62a_100009814033_100000139335 [0,2,0,0,0,0|1,0,0]=3 7304 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [0,2,0,0,0,0|1,0,1]=4 7305 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [0,2,0,0,0,0|1,0,1]=4 7306 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,2,0,0,0,0|1,0,1]=4 7307 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,2,0,0,0,0|1,0,1]=4 7308 B11R0.42 CC(C)C(=O)CCCCCC#N 1458a_100000210198_100009813376 [0,2,0,0,0,0|1,0,1]=4 7309 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,2,0,0,0,0|1,0,1]=4 7310 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,2,0,0,0,0|1,0,1]=4 7311 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,2,0,0,0,0|1,0,1]=4 7312 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_100000753385_200011292268 [0,2,0,0,0,0|2,0,0]=4 7313 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_200011292268_100000753385 [0,2,0,0,0,0|2,0,0]=4 7314 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,2,0,0,0,0|2,0,0]=4 7315 B11R0.42 CC(F)C(=O)CCCCCC#N 1458a_100000062450_100009813376 [0,2,0,0,0,0|1,0,1]=4 7316 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,2,0,0,0,0|1,0,1]=4 7317 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,2,0,0,0,0|1,0,1]=4 7318 B11R0.42 CC(SCCCCC=O)C(=O)N 62a_100000139335_100000702099 [0,2,0,0,0,0|2,0,0]=4 7319 B11R0.42 CC(SCCCCC=O)C(=O)N 62a_100000702099_100000139335 [0,2,0,0,0,0|2,0,0]=4 7320 B11R0.42 CC=CCCCOC(C)C(=O)N 34a_100020645299_100000702099 [0,2,0,0,0,0|2,0,0]=4 7321 B11R0.42 CC=CCCCOC(F)C(=O)N 34a_100020645299_100009813875 [0,2,0,0,0,0|2,0,0]=4 7322 B11R0.42 CC=CCCCOC(F)C(=O)[O-] 34a_100020645299_100020610796 [0,2,0,0,0,0|2,0,0]=4 7323 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,2,0,0,0,0|0,0,2]=4 7324 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,2,0,0,0,0|0,0,2]=4 7325 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,2,0,0,0,0|0,0,2]=4 7326 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,2,0,0,0,0|0,0,2]=4 7327 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,2,0,0,0,0|0,0,2]=4 7328 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,2,0,0,0,0|0,0,2]=4 7329 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,2,0,0,0,0|0,0,2]=4 7330 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,2,0,0,0,0|0,0,2]=4 7331 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|0,0,2]=4 7332 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|0,0,2]=4 7333 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|0,0,2]=4 7334 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,2,0,0,0,0|0,0,2]=4 7335 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,2,0,0,0,0|0,0,2]=4 7336 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,2,0,0,0,0|0,0,2]=4 7337 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,2,0,0,0,0|0,0,2]=4 7338 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,2,0,0,0,0|0,0,2]=4 7339 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,2,0,0,0,0|0,0,2]=4 7340 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,2,0,0,0,0|0,0,2]=4 7341 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,2,0,0,0,0|0,0,2]=4 7342 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,2,0,0,0,0|0,0,2]=4 7343 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,2,0,0,0,0|0,0,2]=4 7344 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,2,0,0,0,0|0,0,2]=4 7345 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,2,0,0,0,0|1,0,1]=4 7346 B11R0.42 CN(C)C(=O)CCCNCC=O 2230a_200000744827_200015260668 [0,2,0,0,0,0|2,0,0]=4 7347 B11R0.42 CN(C)C(=O)CCCSCC=O 62a_100000737642_200015260668 [0,2,0,0,0,0|2,0,0]=4 7348 B11R0.42 CN(C)C(=O)CCCSCC=O 62a_200015260668_100000737642 [0,2,0,0,0,0|2,0,0]=4 7349 B11R0.42 CN(C)C(=O)CNCCCC=O 2230a_100015183351_200011292268 [0,2,0,0,0,0|2,0,0]=4 7350 B11R0.42 CN(C)C(=O)CSCCCC=O 62a_100000692301_200011292268 [0,2,0,0,0,0|2,0,0]=4 7351 B11R0.42 CN(C)C(=O)CSCCCC=O 62a_200011292268_100000692301 [0,2,0,0,0,0|2,0,0]=4 7352 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,2,0,0,0,0|1,0,1]=4 7353 B11R0.42 COCCCCCC(=O)N(C)C 11a_100102631434_100011935119 [0,2,0,0,0,0|1,0,1]=4 7354 B11R0.42 COCCCCCC(=O)N(C)C 1626a_100102631434_100011935119 [0,2,0,0,0,0|1,0,1]=4 7355 B11R0.42 COCCCCCC(=O)N(C)C 240690a_100102631434_100011935119 [0,2,0,0,0,0|1,0,1]=4 7356 B11R0.42 COCCCCCC(=O)N(C)C 527a_100102631434_100011935119 [0,2,0,0,0,0|1,0,1]=4 7357 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,2,0,0,0,0|1,0,1]=4 7358 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,2,0,0,0,0|1,0,1]=4 7359 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,2,0,0,0,0|1,0,1]=4 7360 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,2,0,0,0,0|1,0,1]=4 7361 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,2,0,0,0,0|1,0,1]=4 7362 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,2,0,0,0,0|1,0,1]=4 7363 B11R0.42 C[C@@H](NCCCCC=O)C(=O)N 2230a_100000119354_100000139335 [0,2,0,0,0,0|2,0,0]=4 7364 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [0,2,0,0,0,0|1,0,1]=4 7365 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,2,0,0,0,0|1,0,1]=4 7366 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,2,0,0,0,0|1,0,1]=4 7367 B11R0.42 C[C@@H](OCCCCC=O)C(=O)N 7a_100000731257_100000139335 [0,2,0,0,0,0|2,0,0]=4 7368 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,2,0,0,0,0|2,0,0]=4 7369 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [0,2,0,0,0,0|1,0,1]=4 7370 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,2,0,0,0,0|1,0,1]=4 7371 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,2,0,0,0,0|1,0,1]=4 7372 B11R0.42 C[C@H](OCCCCC=O)C(=O)[O-] 7a_217856618621_100000139335 [0,2,0,0,0,0|2,0,0]=4 7373 B11R0.42 N#CCCCCCC(=O)C(O)O 1458a_100000233687_100009813376 [0,2,0,0,0,0|1,0,1]=4 7374 B11R0.42 NC(=O)C(F)SCCCCC=O 62a_100000139335_100009813875 [0,2,0,0,0,0|2,0,0]=4 7375 B11R0.42 NC(=O)C(F)SCCCCC=O 62a_100009813875_100000139335 [0,2,0,0,0,0|2,0,0]=4 7376 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,2,0,0,0,0|1,0,1]=4 7377 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,2,0,0,0,0|1,0,1]=4 7378 B11R0.42 O=CCCCCSC(F)C(=O)[O-] 62a_100000139335_100020610796 [0,2,0,0,0,0|2,0,0]=4 7379 B11R0.42 O=CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000139335 [0,2,0,0,0,0|2,0,0]=4 7380 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [0,2,0,0,0,0|2,0,0]=4 7381 B11R0.46 C=CCCCC(=O)CC=C(C)C 1458a_100000766728_100000761012 [0,2,0,0,0,0|1,0,1]=4 7382 B11R0.46 C=CCCCC(=O)CC=C(C)C 1458a_100011220947_100000757094 [0,2,0,0,0,0|1,0,1]=4 7383 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_100000766728_100000730704 [0,2,0,0,0,0|1,0,0]=3 7384 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_200000688413_100000757094 [0,2,0,0,0,0|1,0,0]=3 7385 B11R0.46 C=CCCCC(=O)CCC(=O)N 1458a_100011215257_100000757094 [0,2,0,0,0,0|1,0,0]=3 7386 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000181311_100000757094 [0,2,0,0,0,0|1,0,1]=4 7387 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000766728_100000210312 [0,2,0,0,0,0|1,0,1]=4 7388 B11R0.46 C=CCCCC(=O)CCC(C)O 1458a_100000766728_100012276601 [0,2,0,0,0,0|0,0,2]=4 7389 B11R0.46 C=CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000757094 [0,2,0,0,0,0|2,0,0]=4 7390 B11R0.46 C=CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000757094 [0,2,0,0,0,0|2,0,0]=4 7391 B11R0.46 C=CCCCC(=O)CNC(=O)C 1458a_100000194580_100000757094 [0,2,0,0,0,0|0,0,1]=3 7392 B11R0.46 C=CCCCC(=O)CNC(=O)N 1458a_100000184981_100000757094 [0,2,0,0,0,0|1,0,1]=4 7393 B11R0.46 C=CCCCC(=O)COC(=O)C 1458a_100000183556_100000757094 [0,2,0,0,0,0|0,0,1]=3 7394 B11R0.46 C=CCCCC(=O)CSC(=O)C 1458a_100000049016_100000757094 [0,2,0,0,0,0|0,0,1]=3 7395 B11R0.46 C=CCCCC(=O)NCC(=C)C 11a_100000765925_100000766728 [0,2,0,0,0,0|1,0,1]=4 7396 B11R0.46 C=CCCCC(=O)NCC(=C)C 1626a_100000765925_100000766728 [0,2,0,0,0,0|1,0,1]=4 7397 B11R0.46 C=CCCCC(=O)NCC(=C)C 240690a_100000765925_100000766728 [0,2,0,0,0,0|1,0,1]=4 7398 B11R0.46 C=CCCCC(=O)NCC(=C)C 527a_100000765925_100000766728 [0,2,0,0,0,0|1,0,1]=4 7399 B11R0.46 C=CCCCC(=O)NCC(=O)N 11a_100000711301_100000766728 [0,2,0,0,0,0|1,0,1]=4 7400 B11R0.46 C=CCCCC(=O)NCC(=O)N 240690a_100000711301_100000766728 [0,2,0,0,0,0|1,0,1]=4 7401 B11R0.46 C=CCCCC(=O)NCC(=O)N 527a_100000711301_100000766728 [0,2,0,0,0,0|1,0,1]=4 7402 B11R0.46 C=CCCCC(=O)NNC(=O)C 22a_100000189765_100000766728 [0,2,0,0,0,0|1,0,1]=4 7403 B11R0.46 C=CCCCN(C)CCC(=O)N 2230a_100000730477_100011713584 [0,2,0,0,0,0|1,0,0]=3 7404 B11R0.46 C=CCCCN(C)CCC(C)C 2230a_100000742789_100011713584 [0,2,0,0,0,0|1,0,1]=4 7405 B11R0.46 C=CCCCN(C)CCC(C)C 269982a_100000742789_100000757094 [0,2,0,0,0,0|1,0,1]=4 7406 B11R0.46 C=CCCCN(C)CCN(C)C 269982a_100000225618_100000757094 [0,2,0,0,0,0|2,0,0]=4 7407 B11R0.46 C=CCCNC(=O)CCC(=C)C 11a_100015191253_200000688413 [0,2,0,0,0,0|1,0,1]=4 7408 B11R0.46 C=CCCNC(=O)CCC(=C)C 1626a_100015191253_200000688413 [0,2,0,0,0,0|1,0,1]=4 7409 B11R0.46 C=CCCNC(=O)CCC(=C)C 240690a_100015191253_200000688413 [0,2,0,0,0,0|1,0,1]=4 7410 B11R0.46 C=CCCNC(=O)CCC(=C)C 527a_100015191253_200000688413 [0,2,0,0,0,0|1,0,1]=4 7411 B11R0.46 C=CCCNC(=O)CCC(=O)N 240690a_100015191253_100011215257 [0,2,0,0,0,0|1,0,1]=4 7412 B11R0.46 C=CCCNC(=O)CCC(=O)N 527a_100015191253_100011215257 [0,2,0,0,0,0|1,0,1]=4 7413 B11R0.46 C=CCCNC(=O)CNC(=O)C 11a_100015191253_100000194580 [0,2,0,0,0,0|1,0,1]=4 7414 B11R0.46 C=CCCNC(=O)CNC(=O)C 1626a_100015191253_100000194580 [0,2,0,0,0,0|1,0,1]=4 7415 B11R0.46 C=CCCNC(=O)CNC(=O)C 240690a_100015191253_100000194580 [0,2,0,0,0,0|1,0,1]=4 7416 B11R0.46 C=CCCNC(=O)CNC(=O)C 527a_100015191253_100000194580 [0,2,0,0,0,0|1,0,1]=4 7417 B11R0.46 C=CCCNC(=O)COC(=O)C 1626a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 7418 B11R0.46 C=CCCNC(=O)COC(=O)C 240690a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 7419 B11R0.46 C=CCCNC(=O)COC(=O)C 527a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 7420 B11R0.46 C=CCCNC(=O)CSC(=O)C 11a_100015191253_100000049016 [0,2,0,0,0,0|1,0,1]=4 7421 B11R0.46 C=CCCNC(=O)CSC(=O)C 1626a_100015191253_100000049016 [0,2,0,0,0,0|1,0,1]=4 7422 B11R0.46 C=CCCNC(=O)CSC(=O)C 240690a_100015191253_100000049016 [0,2,0,0,0,0|1,0,1]=4 7423 B11R0.46 C=CCCNC(C)CCC(=C)C 270004a_100015191253_100011215600 [0,2,0,0,0,0|1,0,0]=3 7424 B11R0.46 C=CCCNC(C)CCC(C)C 2230a_100015191253_100011261404 [0,2,0,0,0,0|1,0,1]=4 7425 B11R0.46 C=CCCNC(C)CCC(C)C 2230a_100138410893_100000754431 [0,2,0,0,0,0|1,0,1]=4 7426 B11R0.46 C=CCCNC(C)CCC(C)C 270004a_100015191253_100000210476 [0,2,0,0,0,0|1,0,1]=4 7427 B11R0.46 C=CCCNC(C)COC(=O)C 270004a_100015191253_100000000629 [0,2,0,0,0,0|1,0,0]=3 7428 B11R0.46 C=CCCOC(C)CCC(C)C 34a_100011205117_100011261404 [0,2,0,0,0,0|1,0,1]=4 7429 B11R0.46 C=CCCOC(C)CCC(C)C 34a_100011215350_100000754431 [0,2,0,0,0,0|1,0,1]=4 7430 B11R0.46 C=CCCOC(C)CCC(C)C 7a_100011215350_100000754431 [0,2,0,0,0,0|1,0,1]=4 7431 B11R0.46 C=CCCSC(C)CCC(C)C 62a_100000754431_100011261404 [0,2,0,0,0,0|1,0,1]=4 7432 B11R0.46 C=CCCSC(C)CCC(C)C 62a_100011261404_100000754431 [0,2,0,0,0,0|1,0,1]=4 7433 B11R0.46 C=CCNCC(C)CSC(=O)C 2230a_100020586998_200000116872 [0,2,0,0,0,0|1,0,0]=3 7434 B11R0.46 C=CCOCC(=O)COC(=O)C 34a_200000210373_100000036994 [0,2,0,0,0,0|1,0,1]=4 7435 B11R0.46 C=CCOCC(C)CSC(=O)C 34a_200000210373_200000116872 [0,2,0,0,0,0|1,0,0]=3 7436 B11R0.46 C=CCOCC(O)COC(=O)C 34a_200000210373_200000139349 [0,2,0,0,0,0|1,0,0]=3 7437 B11R0.46 C=CCSCC(=O)CCC(=C)C 1458a_100000230395_100000730704 [0,2,0,0,0,0|1,0,1]=4 7438 B11R0.46 C=CCSCC(=O)COC(=O)C 62a_100000036994_100000210623 [0,2,0,0,0,0|1,0,1]=4 7439 B11R0.46 C=CCSCC(=O)COC(=O)C 62a_100000210623_100000036994 [0,2,0,0,0,0|1,0,1]=4 7440 B11R0.46 C=CCSCC(C)CSC(=O)C 62a_100000210623_200000116872 [0,2,0,0,0,0|1,0,0]=3 7441 B11R0.46 C=CCSCC(C)CSC(=O)C 62a_200000116872_100000210623 [0,2,0,0,0,0|1,0,0]=3 7442 B11R0.46 C=CCSCC(O)COC(=O)C 62a_100000210623_200000139349 [0,2,0,0,0,0|1,0,0]=3 7443 B11R0.46 C=CCSCC(O)COC(=O)C 62a_200000139349_100000210623 [0,2,0,0,0,0|1,0,0]=3 7444 B11R0.46 C=COCCC(=O)CCC(=C)C 1458a_200000688413_100000039644 [0,2,0,0,0,0|1,0,1]=4 7445 B11R0.46 C=COCCC(=O)CCC(=O)N 1458a_100011215257_100000039644 [0,2,0,0,0,0|1,0,1]=4 7446 B11R0.46 C=COCCC(=O)CNC(=O)C 1458a_100000194580_100000039644 [0,2,0,0,0,0|1,0,1]=4 7447 B11R0.46 C=COCCC(=O)COC(=O)C 1458a_100000183556_100000039644 [0,2,0,0,0,0|1,0,1]=4 7448 B11R0.46 C=COCCC(=O)CSC(=O)C 1458a_100000049016_100000039644 [0,2,0,0,0,0|1,0,1]=4 7449 B11R0.46 C=COCCN(C)CCC(=O)N 2230a_100000730477_100000039644 [0,2,0,0,0,0|2,0,0]=4 7450 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [0,2,0,0,0,0|1,0,1]=4 7451 B11R0.46 CC(=O)OCC(O)CSCC=O 62a_200000139349_200015260668 [0,2,0,0,0,0|2,0,0]=4 7452 B11R0.46 CC(=O)OCC(O)CSCC=O 62a_200015260668_200000139349 [0,2,0,0,0,0|2,0,0]=4 7453 B11R0.46 CC(=O)SCC(C)CSCC=O 62a_200000116872_200015260668 [0,2,0,0,0,0|2,0,0]=4 7454 B11R0.46 CC(=O)SCC(C)CSCC=O 62a_200015260668_200000116872 [0,2,0,0,0,0|2,0,0]=4 7455 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,2,0,0,0,0|0,0,2]=4 7456 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,2,0,0,0,0|0,0,2]=4 7457 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,2,0,0,0,0|0,0,2]=4 7458 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,2,0,0,0,0|0,0,2]=4 7459 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,2,0,0,0,0|0,0,2]=4 7460 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,2,0,0,0,0|0,0,2]=4 7461 B11R0.46 CN(CCCC=O)CCC(=O)N 2230a_100000730477_200011292268 [0,2,0,0,0,0|2,0,0]=4 7462 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [0,2,0,0,0,0|1,0,1]=4 7463 B11R0.111 C#CC(=O)CCCCCC(=O)N 1458a_100000211873_100009817443 [0,2,0,0,0,0|1,0,1]=4 7464 B11R0.111 C#CC(=O)CCCCOC(=O)C 1458a_100000211873_100000033659 [0,2,0,0,0,0|1,0,1]=4 7465 B11R0.111 C#CC(=O)CCCCSC(=O)C 1458a_100000211873_200010402107 [0,2,0,0,0,0|1,0,1]=4 7466 B11R0.111 C#CC(C)NCCCCC(=O)C 34a_100000707721_100009817362 [0,2,0,0,0,0|0,0,2]=4 7467 B11R0.111 C#CC(C)SCCCCC(=O)C 62a_200000035995_100000735457 [0,2,0,0,0,0|0,0,2]=4 7468 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,2,0,0,0,0|0,0,2]=4 7469 B11R0.111 C#C[C@@H](C)OCCCCC(=O)C 34a_100009815206_100009817362 [0,2,0,0,0,0|0,0,2]=4 7470 B11R0.111 C#C[C@@H](C)OCCCCC(=O)C 7a_100009815206_100000735457 [0,2,0,0,0,0|0,0,2]=4 7471 B11R0.111 C=C(Br)CCOCCC(=O)NC 34a_100009813270_100012179268 [0,2,0,0,0,0|1,0,0]=3 7472 B11R0.111 C=C(Br)CCOCCC(=O)OC 34a_100009813270_100000742370 [0,2,0,0,0,0|1,0,0]=3 7473 B11R0.111 C=C(C#N)CNCCCC(=O)N 34a_100000739312_100000694840 [0,2,0,0,0,0|2,0,0]=4 7474 B11R0.111 C=C(C#N)CNCCCS(=O)C 2230a_200000753449_100000694840 [0,2,0,0,0,0|2,0,0]=4 7475 B11R0.111 C=C(C#N)CNCCNC(=O)C 2230a_100000209853_100000694840 [0,2,0,0,0,0|2,0,0]=4 7476 B11R0.111 C=C(C#N)COCCCC(=O)C 34a_100000759063_100000694840 [0,2,0,0,0,0|1,0,0]=3 7477 B11R0.111 C=C(C#N)COCCNC(=O)C 34a_100000158858_100000694840 [0,2,0,0,0,0|2,0,0]=4 7478 B11R0.111 C=C(C#N)CSCCCC(=O)C 62a_100011215641_100000694840 [0,2,0,0,0,0|1,0,0]=3 7479 B11R0.111 C=C(C#N)CSCCCC(=O)N 62a_100102525003_100000694840 [0,2,0,0,0,0|2,0,0]=4 7480 B11R0.111 C=C(C#N)CSCCNC(=O)C 62a_100000189650_100000694840 [0,2,0,0,0,0|2,0,0]=4 7481 B11R0.111 C=C(C#N)CSCCOC(=O)C 62a_100009814007_100000694840 [0,2,0,0,0,0|2,0,0]=4 7482 B11R0.111 C=C(C)CCNCCC(=O)NC 2230a_100000738227_100000730704 [0,2,0,0,0,0|1,0,0]=3 7483 B11R0.111 C=C(C)CCNCCC(=O)NC 34a_100000738227_100000730704 [0,2,0,0,0,0|1,0,0]=3 7484 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000754576_100000730704 [0,2,0,0,0,0|1,0,0]=3 7485 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000764851_100012179268 [0,2,0,0,0,0|1,0,0]=3 7486 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,2,0,0,0,0|1,0,0]=3 7487 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000730704_100000737683 [0,2,0,0,0,0|1,0,0]=3 7488 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000737683_100000730704 [0,2,0,0,0,0|1,0,0]=3 7489 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,2,0,0,0,0|1,0,0]=3 7490 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,2,0,0,0,0|1,0,0]=3 7491 B11R0.111 C=C(C)CCSCOC(=O)OC 62a_100000730704_100000139417 [0,2,0,0,0,0|2,0,0]=4 7492 B11R0.111 C=C(C)CNCCCC(=O)NC 2230a_100000740002_100000748629 [0,2,0,0,0,0|1,0,0]=3 7493 B11R0.111 C=C(C)CNCCCC(=O)NC 34a_100000740002_100000748629 [0,2,0,0,0,0|1,0,0]=3 7494 B11R0.111 C=C(C)CNCCNC(=O)CC 34a_100132302217_100000748629 [0,2,0,0,0,0|2,0,0]=4 7495 B11R0.111 C=C(C)CNCCNC(=O)NC 34a_100015205895_100000748629 [0,2,0,0,0,0|2,0,0]=4 7496 B11R0.111 C=C(C)COCCCC(=O)NC 34a_100000210245_100000741757 [0,2,0,0,0,0|1,0,0]=3 7497 B11R0.111 C=C(C)COCCCC(=O)NN 34a_100000211488_100000748629 [0,2,0,0,0,0|2,0,0]=4 7498 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [0,2,0,0,0,0|1,0,0]=3 7499 B11R0.111 C=C(C)COCCNC(=O)CC 34a_200000158885_100000748629 [0,2,0,0,0,0|2,0,0]=4 7500 B11R0.111 C=C(C)COCCNC(=O)CC 7a_200000158885_100000748629 [0,2,0,0,0,0|2,0,0]=4 7501 B11R0.111 C=C(C)COCCNC(=O)OC 34a_100000757965_100000748629 [0,2,0,0,0,0|2,0,0]=4 7502 B11R0.111 C=C(C)COCCOC(=O)CC 7a_200000031056_100000748629 [0,2,0,0,0,0|2,0,0]=4 7503 B11R0.111 C=C(C)COCCOC(=O)NC 34a_100000210245_200011997002 [0,2,0,0,0,0|2,0,0]=4 7504 B11R0.111 C=C(C)COCCOC(=O)OC 34a_100010262106_100000748629 [0,2,0,0,0,0|2,0,0]=4 7505 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000741757_100000211660 [0,2,0,0,0,0|1,0,0]=3 7506 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000748629_100000741757 [0,2,0,0,0,0|1,0,0]=3 7507 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [0,2,0,0,0,0|1,0,0]=3 7508 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [0,2,0,0,0,0|1,0,0]=3 7509 B11R0.111 C=C(C)CSCCOC(=O)NC 62a_100000748629_200011997002 [0,2,0,0,0,0|2,0,0]=4 7510 B11R0.111 C=C(C)CSCCOC(=O)NC 62a_200011997002_100000211660 [0,2,0,0,0,0|2,0,0]=4 7511 B11R0.111 C=C(F)CNCCCC(=O)NC 2230a_100000740002_100009893438 [0,2,0,0,0,0|1,0,0]=3 7512 B11R0.111 C=C(F)CNCCCC(=O)NC 34a_100000740002_100009893438 [0,2,0,0,0,0|1,0,0]=3 7513 B11R0.111 C=C(F)CNCCNC(=O)CC 34a_100132302217_100009893438 [0,2,0,0,0,0|2,0,0]=4 7514 B11R0.111 C=C(F)CNCCNC(=O)NC 34a_100015205895_100009893438 [0,2,0,0,0,0|2,0,0]=4 7515 B11R0.111 C=C(F)COCCCC(=O)NC 34a_200010262243_100000741757 [0,2,0,0,0,0|1,0,0]=3 7516 B11R0.111 C=C(F)COCCCC(=O)NN 34a_100000211488_100009893438 [0,2,0,0,0,0|2,0,0]=4 7517 B11R0.111 C=C(F)COCCCC(=O)OC 34a_200010262243_100000742333 [0,2,0,0,0,0|1,0,0]=3 7518 B11R0.111 C=C(F)COCCNC(=O)CC 34a_200000158885_100009893438 [0,2,0,0,0,0|2,0,0]=4 7519 B11R0.111 C=C(F)COCCNC(=O)CC 7a_200000158885_100000042424 [0,2,0,0,0,0|2,0,0]=4 7520 B11R0.111 C=C(F)COCCNC(=O)OC 34a_100000757965_100009893438 [0,2,0,0,0,0|2,0,0]=4 7521 B11R0.111 C=C(F)COCCOC(=O)CC 7a_200000031056_100000042424 [0,2,0,0,0,0|2,0,0]=4 7522 B11R0.111 C=C(F)COCCOC(=O)NC 34a_200010262243_200011997002 [0,2,0,0,0,0|2,0,0]=4 7523 B11R0.111 C=C(F)COCCOC(=O)OC 34a_100010262106_100009893438 [0,2,0,0,0,0|2,0,0]=4 7524 B11R0.111 C=C(F)CSCCCC(=O)NC 62a_100000042424_100000741757 [0,2,0,0,0,0|1,0,0]=3 7525 B11R0.111 C=C(F)CSCCCC(=O)NC 62a_100000741757_100000042424 [0,2,0,0,0,0|1,0,0]=3 7526 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100000042424_100011218270 [0,2,0,0,0,0|1,0,0]=3 7527 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100011218270_100000042424 [0,2,0,0,0,0|1,0,0]=3 7528 B11R0.111 C=C(F)CSCCOC(=O)NC 62a_100000042424_200011997002 [0,2,0,0,0,0|2,0,0]=4 7529 B11R0.111 C=C(F)CSCCOC(=O)NC 62a_200011997002_100000042424 [0,2,0,0,0,0|2,0,0]=4 7530 B11R0.111 C=CC(=O)CCCCCC(=O)N 1458a_100000185746_100009817443 [0,2,0,0,0,0|1,0,0]=3 7531 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,2,0,0,0,0|1,0,1]=4 7532 B11R0.111 C=CC(=O)CCCCOC(=O)C 1458a_100000185746_100000033659 [0,2,0,0,0,0|0,0,1]=3 7533 B11R0.111 C=CC(=O)CCCCSC(=O)C 1458a_100000185746_200010402107 [0,2,0,0,0,0|0,0,1]=3 7534 B11R0.111 C=CC(=O)NCCCCC(=O)N 1626a_100000696515_100000185746 [0,2,0,0,0,0|1,0,1]=4 7535 B11R0.111 C=CC(=O)NCCCCC(=O)N 240690a_100000696515_200121576911 [0,2,0,0,0,0|1,0,1]=4 7536 B11R0.111 C=CC(=O)NCCCNC(=O)C 240690a_100000736810_200121576911 [0,2,0,0,0,0|1,0,1]=4 7537 B11R0.111 C=CC(=O)OCCOCC(=O)C 34a_100000211253_100009813456 [0,2,0,0,0,0|1,0,1]=4 7538 B11R0.111 C=CC(C)COCCC=C(C)C 34a_100011215527_100011217483 [0,2,0,0,0,0|1,0,1]=4 7539 B11R0.111 C=CC(C)COCCC=C(C)C 7a_100011215527_100011217483 [0,2,0,0,0,0|1,0,1]=4 7540 B11R0.111 C=CC(C)COCCCC(=O)C 34a_100011215527_100000685027 [0,2,0,0,0,0|0,0,0]=2 7541 B11R0.111 C=CC(C)COCCCC(=O)C 7a_100011215527_100011215641 [0,2,0,0,0,0|0,0,0]=2 7542 B11R0.111 C=CC(C)COCCCC(=O)N 34a_100011215527_100102525003 [0,2,0,0,0,0|1,0,0]=3 7543 B11R0.111 C=CC(C)COCCCC(=O)N 7a_100011215527_100102525003 [0,2,0,0,0,0|1,0,0]=3 7544 B11R0.111 C=CC(C)COCCCC(C)C 34a_100011215527_100011214892 [0,2,0,0,0,0|1,0,1]=4 7545 B11R0.111 C=CC(C)COCCCC(C)C 7a_100011215527_100011214892 [0,2,0,0,0,0|1,0,1]=4 7546 B11R0.111 C=CC(C)COCCCC(C)O 34a_100011215527_200000718107 [0,2,0,0,0,0|0,0,2]=4 7547 B11R0.111 C=CC(C)COCCCC(C)O 7a_100011215527_200000718107 [0,2,0,0,0,0|0,0,2]=4 7548 B11R0.111 C=CC(C)COCCCN(C)C 7a_100011215527_100000757444 [0,2,0,0,0,0|2,0,0]=4 7549 B11R0.111 C=CC(C)COCCNC(=O)C 7a_100011215527_100000189650 [0,2,0,0,0,0|1,0,0]=3 7550 B11R0.111 C=CC(C)COCCNC(=O)N 7a_100011215527_200000034859 [0,2,0,0,0,0|2,0,0]=4 7551 B11R0.111 C=CC(C)COCCOC(=O)C 34a_100011215527_100009814007 [0,2,0,0,0,0|1,0,0]=3 7552 B11R0.111 C=CC(C)COCCOC(=O)C 7a_100011215527_100009814007 [0,2,0,0,0,0|1,0,0]=3 7553 B11R0.111 C=CC(C)COCCOC(=O)N 34a_100011215527_200011214921 [0,2,0,0,0,0|2,0,0]=4 7554 B11R0.111 C=CC(C)COCCOC(=O)N 7a_100011215527_200011214921 [0,2,0,0,0,0|2,0,0]=4 7555 B11R0.111 C=CC(C)NCCOCC(=O)O 269956a_100000700818_100011215867 [0,2,0,0,0,0|2,0,0]=4 7556 B11R0.111 C=CC(C)OCCCCC(=O)C 34a_100000695699_100009817362 [0,2,0,0,0,0|0,0,0]=2 7557 B11R0.111 C=CC(C)OCCCCC(C)C 34a_100000695699_100011216152 [0,2,0,0,0,0|1,0,1]=4 7558 B11R0.111 C=CC(C)OCCCOC(=O)C 34a_100000695699_100000042594 [0,2,0,0,0,0|1,0,0]=3 7559 B11R0.111 C=CC(C)OCCCOC(=S)C 34a_100000695699_200135323944 [0,2,0,0,0,0|1,1,0]=4 7560 B11R0.111 C=CC(C)OCCCSC(=O)C 34a_100000695699_100000038929 [0,2,0,0,0,0|1,0,0]=3 7561 B11R0.111 C=CC(C)OCCOCC(=O)N 34a_100000695699_100000076697 [0,2,0,0,0,0|2,0,0]=4 7562 B11R0.111 C=CC(C)SCCCCC(=O)C 62a_100011215867_100000735457 [0,2,0,0,0,0|0,0,0]=2 7563 B11R0.111 C=CC(C)SCCCCC(C)C 62a_100011215867_100011216152 [0,2,0,0,0,0|1,0,1]=4 7564 B11R0.111 C=CC(C)SCCCCN(C)C 62a_100011215867_100000690147 [0,2,0,0,0,0|2,0,0]=4 7565 B11R0.111 C=CC(C)SCCCOC(=O)C 62a_100011215867_100000042594 [0,2,0,0,0,0|1,0,0]=3 7566 B11R0.111 C=CC(C)SCCCOC(=S)C 62a_100011215867_200135323944 [0,2,0,0,0,0|1,1,0]=4 7567 B11R0.111 C=CC(C)SCCCSC(=O)C 62a_100011215867_100000038929 [0,2,0,0,0,0|1,0,0]=3 7568 B11R0.111 C=CC(C)SCCOCC(=O)N 62a_100011215867_100000076697 [0,2,0,0,0,0|2,0,0]=4 7569 B11R0.111 C=CC(O)CNCCCC(=O)N 34a_100000739312_100000730141 [0,2,0,0,0,0|1,0,0]=3 7570 B11R0.111 C=CC(O)CNCCCC(C)C 2230a_200000737386_100000730141 [0,2,0,0,0,0|1,0,1]=4 7571 B11R0.111 C=CC(O)CNCCCC(C)C 34a_200000737386_100000730141 [0,2,0,0,0,0|1,0,1]=4 7572 B11R0.111 C=CC(O)CNCCCS(=O)C 2230a_200000753449_100000730141 [0,2,0,0,0,0|1,0,0]=3 7573 B11R0.111 C=CC(O)CNCCNC(=O)C 2230a_100000209853_100000730141 [0,2,0,0,0,0|1,0,0]=3 7574 B11R0.111 C=CC(O)CNCCNC(=O)N 34a_100020590234_100000730141 [0,2,0,0,0,0|2,0,0]=4 7575 B11R0.111 C=CC(O)COCCCC(=O)C 34a_100000759063_100000730141 [0,2,0,0,0,0|0,0,0]=2 7576 B11R0.111 C=CC(O)COCCCC(=O)C 7a_100000759063_100000730141 [0,2,0,0,0,0|0,0,0]=2 7577 B11R0.111 C=CC(O)COCCCC(C)C 34a_100000210774_100000730141 [0,2,0,0,0,0|1,0,1]=4 7578 B11R0.111 C=CC(O)COCCCC(C)C 7a_100000210774_100000730141 [0,2,0,0,0,0|1,0,1]=4 7579 B11R0.111 C=CC(O)COCCC[N+](=O)[O-] 34a_200000037920_100000730141 [0,2,0,0,0,0|2,0,0]=4 7580 B11R0.111 C=CC(O)COCCNC(=O)C 34a_100000158858_100000730141 [0,2,0,0,0,0|1,0,0]=3 7581 B11R0.111 C=CC(O)COCCNC(=O)N 34a_100000181757_100000730141 [0,2,0,0,0,0|2,0,0]=4 7582 B11R0.111 C=CC(O)COCCOC(=O)N 7a_100000766696_100000730141 [0,2,0,0,0,0|2,0,0]=4 7583 B11R0.111 C=CC(O)CSCCC=C(C)C 62a_100000730141_100011217483 [0,2,0,0,0,0|1,0,1]=4 7584 B11R0.111 C=CC(O)CSCCC=C(C)C 62a_100011217483_100000730141 [0,2,0,0,0,0|1,0,1]=4 7585 B11R0.111 C=CC(O)CSCCCC(=O)C 62a_100000730141_100011215641 [0,2,0,0,0,0|0,0,0]=2 7586 B11R0.111 C=CC(O)CSCCCC(=O)C 62a_100011215641_100000730141 [0,2,0,0,0,0|0,0,0]=2 7587 B11R0.111 C=CC(O)CSCCCC(=O)N 62a_100000730141_100102525003 [0,2,0,0,0,0|1,0,0]=3 7588 B11R0.111 C=CC(O)CSCCCC(=O)N 62a_100102525003_100000730141 [0,2,0,0,0,0|1,0,0]=3 7589 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100000730141_100011214892 [0,2,0,0,0,0|1,0,1]=4 7590 B11R0.111 C=CC(O)CSCCCC(C)C 62a_100011214892_100000730141 [0,2,0,0,0,0|1,0,1]=4 7591 B11R0.111 C=CC(O)CSCCCC(C)O 62a_100000730141_200000718107 [0,2,0,0,0,0|0,0,2]=4 7592 B11R0.111 C=CC(O)CSCCCC(C)O 62a_200000718107_100000730141 [0,2,0,0,0,0|0,0,2]=4 7593 B11R0.111 C=CC(O)CSCCCN(C)C 62a_100000730141_100000757444 [0,2,0,0,0,0|2,0,0]=4 7594 B11R0.111 C=CC(O)CSCCNC(=O)C 62a_100000189650_100000730141 [0,2,0,0,0,0|1,0,0]=3 7595 B11R0.111 C=CC(O)CSCCNC(=O)C 62a_100000730141_100000189650 [0,2,0,0,0,0|1,0,0]=3 7596 B11R0.111 C=CC(O)CSCCNC(=O)N 62a_100000730141_200000034859 [0,2,0,0,0,0|2,0,0]=4 7597 B11R0.111 C=CC(O)CSCCNC(=O)N 62a_200000034859_100000730141 [0,2,0,0,0,0|2,0,0]=4 7598 B11R0.111 C=CC(O)CSCCOC(=O)C 62a_100000730141_100009814007 [0,2,0,0,0,0|1,0,0]=3 7599 B11R0.111 C=CC(O)CSCCOC(=O)C 62a_100009814007_100000730141 [0,2,0,0,0,0|1,0,0]=3 7600 B11R0.111 C=CC(O)CSCCOC(=O)N 62a_100000730141_200011214921 [0,2,0,0,0,0|2,0,0]=4 7601 B11R0.111 C=CC(O)CSCCOC(=O)N 62a_200011214921_100000730141 [0,2,0,0,0,0|2,0,0]=4 7602 B11R0.111 C=C[C@H](N)COCCC=C(C)C 34a_100016989147_100011217483 [0,2,0,0,0,0|1,0,1]=4 7603 B11R0.111 C=C[C@H](N)COCCCC(=O)C 34a_100016989147_100000685027 [0,2,0,0,0,0|0,0,0]=2 7604 B11R0.111 C=C[C@H](N)COCCCC(=O)N 34a_100016989147_100102525003 [0,2,0,0,0,0|1,0,0]=3 7605 B11R0.111 C=C[C@H](N)COCCCC(C)C 34a_100016989147_100011214892 [0,2,0,0,0,0|1,0,1]=4 7606 B11R0.111 C=C[C@H](N)COCCCC(C)O 34a_100016989147_200000718107 [0,2,0,0,0,0|0,0,2]=4 7607 B11R0.111 C=C[C@H](N)COCCOC(=O)C 34a_100016989147_100009814007 [0,2,0,0,0,0|1,0,0]=3 7608 B11R0.111 C=C[C@H](N)COCCOC(=O)N 34a_100016989147_200011214921 [0,2,0,0,0,0|2,0,0]=4 7609 B11R0.111 CC(=O)CCCCOC(C)C#N 34a_100011218135_100009817362 [0,2,0,0,0,0|1,0,1]=4 7610 B11R0.111 CC(=O)CCCCOC(C)CF 34a_100016041109_100009817362 [0,2,0,0,0,0|1,0,1]=4 7611 B11R0.111 CC(=O)CCCCOC(C)CF 7a_100016041109_100000735457 [0,2,0,0,0,0|1,0,1]=4 7612 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [0,2,0,0,0,0|1,0,1]=4 7613 B11R0.111 CC(=O)CCCCSC(C)C#N 62a_100000703298_100000735457 [0,2,0,0,0,0|1,0,1]=4 7614 B11R0.111 CC(=O)CCCCSC(C)C#N 62a_100000735457_100000703298 [0,2,0,0,0,0|1,0,1]=4 7615 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [0,2,0,0,0,0|1,0,1]=4 7616 B11R0.111 CC(=O)CCCCSC(F)C#N 62a_100000735457_200000117898 [0,2,0,0,0,0|1,0,1]=4 7617 B11R0.111 CC(=O)CCCCSC(F)C#N 62a_200000117898_100000735457 [0,2,0,0,0,0|1,0,1]=4 7618 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [0,2,0,0,0,0|1,0,1]=4 7619 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [0,2,0,0,0,0|1,0,1]=4 7620 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [0,2,0,0,0,0|1,0,1]=4 7621 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [0,2,0,0,0,0|1,0,1]=4 7622 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [0,2,0,0,0,0|1,0,1]=4 7623 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [0,2,0,0,0,0|1,0,1]=4 7624 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,2,0,0,0,0|1,0,1]=4 7625 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,2,0,0,0,0|1,0,1]=4 7626 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 7627 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,2,0,0,0,0|1,0,1]=4 7628 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,2,0,0,0,0|1,0,1]=4 7629 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,2,0,0,0,0|1,0,1]=4 7630 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,2,0,0,0,0|1,0,1]=4 7631 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,2,0,0,0,0|1,0,1]=4 7632 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [0,2,0,0,0,0|1,0,1]=4 7633 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,2,0,0,0,0|1,0,1]=4 7634 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,2,0,0,0,0|1,0,1]=4 7635 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [0,2,0,0,0,0|1,0,1]=4 7636 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [0,2,0,0,0,0|1,0,1]=4 7637 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [0,2,0,0,0,0|1,0,1]=4 7638 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [0,2,0,0,0,0|1,0,1]=4 7639 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,2,0,0,0,0|1,0,1]=4 7640 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,2,0,0,0,0|1,0,1]=4 7641 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,2,0,0,0,0|1,0,1]=4 7642 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,2,0,0,0,0|1,0,1]=4 7643 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,2,0,0,0,0|0,0,2]=4 7644 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,2,0,0,0,0|0,0,2]=4 7645 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,2,0,0,0,0|2,0,0]=4 7646 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,2,0,0,0,0|1,0,0]=3 7647 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,2,0,0,0,0|0,0,2]=4 7648 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,2,0,0,0,0|0,0,2]=4 7649 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,2,0,0,0,0|2,0,0]=4 7650 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,2,0,0,0,0|1,0,1]=4 7651 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,2,0,0,0,0|1,0,1]=4 7652 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,2,0,0,0,0|1,0,1]=4 7653 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,2,0,0,0,0|1,0,1]=4 7654 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,2,0,0,0,0|2,0,0]=4 7655 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,2,0,0,0,0|1,0,1]=4 7656 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,2,0,0,0,0|1,0,1]=4 7657 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,2,0,0,0,0|2,0,0]=4 7658 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,2,0,0,0,0|2,0,0]=4 7659 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,2,0,0,0,0|2,0,0]=4 7660 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,2,0,0,0,0|2,0,0]=4 7661 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,2,0,0,0,0|2,0,0]=4 7662 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,2,0,0,0,0|2,0,0]=4 7663 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,2,0,0,0,0|0,0,2]=4 7664 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,2,0,0,0,0|0,0,2]=4 7665 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,2,0,0,0,0|0,0,2]=4 7666 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,2,0,0,0,0|0,0,2]=4 7667 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,2,0,0,0,0|0,0,2]=4 7668 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,2,0,0,0,0|0,0,2]=4 7669 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,2,0,0,0,0|0,0,2]=4 7670 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,2,0,0,0,0|0,0,2]=4 7671 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,2,0,0,0,0|0,0,2]=4 7672 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,2,0,0,0,0|0,0,2]=4 7673 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,2,0,0,0,0|0,0,2]=4 7674 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,2,0,0,0,0|0,0,2]=4 7675 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,2,0,0,0,0|0,0,2]=4 7676 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,2,0,0,0,0|0,0,2]=4 7677 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,2,0,0,0,0|0,0,2]=4 7678 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,2,0,0,0,0|0,0,2]=4 7679 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,2,0,0,0,0|0,0,2]=4 7680 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,2,0,0,0,0|0,0,2]=4 7681 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,2,0,0,0,0|0,0,2]=4 7682 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,2,0,0,0,0|0,0,2]=4 7683 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,2,0,0,0,0|0,0,2]=4 7684 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 11a_106832991635_100000043470 [0,2,0,0,0,0|2,0,0]=4 7685 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 1626a_100102657272_100000043470 [0,2,0,0,0,0|2,0,0]=4 7686 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 240690a_100102657272_100000043470 [0,2,0,0,0,0|2,0,0]=4 7687 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 527a_100102657272_100000043470 [0,2,0,0,0,0|2,0,0]=4 7688 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000711301_100000741757 [0,2,0,0,0,0|2,0,0]=4 7689 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000740002_100000747473 [0,2,0,0,0,0|2,0,0]=4 7690 B11R0.111 CNC(=O)CCCNCC(=O)N 34a_100000740002_100000187820 [0,2,0,0,0,0|2,0,0]=4 7691 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,2,0,0,0,0|2,0,0]=4 7692 B11R0.111 CNC(=O)CCCNCC(=O)[O-] 34a_100000740002_100020667443 [0,2,0,0,0,0|2,0,0]=4 7693 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,2,0,0,0,0|1,0,1]=4 7694 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000741757_100000747473 [0,2,0,0,0,0|2,0,0]=4 7695 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000747473_100000741757 [0,2,0,0,0,0|2,0,0]=4 7696 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100000741757_100020667443 [0,2,0,0,0,0|2,0,0]=4 7697 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100020667443_100000741757 [0,2,0,0,0,0|2,0,0]=4 7698 B11R0.111 CNC(=O)CCNCCC(=O)N 2230a_100000738227_100000744528 [0,2,0,0,0,0|2,0,0]=4 7699 B11R0.111 CNC(=O)CCNCCC(=O)N 34a_100000738227_100000731001 [0,2,0,0,0,0|2,0,0]=4 7700 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,2,0,0,0,0|1,0,1]=4 7701 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,2,0,0,0,0|1,0,1]=4 7702 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000754576_100000731001 [0,2,0,0,0,0|2,0,0]=4 7703 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000757172_100012179268 [0,2,0,0,0,0|2,0,0]=4 7704 B11R0.111 CNC(=O)CCOCCC(=O)N 7a_100000757172_100000737683 [0,2,0,0,0,0|2,0,0]=4 7705 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,2,0,0,0,0|1,0,1]=4 7706 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,2,0,0,0,0|1,0,1]=4 7707 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000737683_100000744528 [0,2,0,0,0,0|2,0,0]=4 7708 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000744528_100000737683 [0,2,0,0,0,0|2,0,0]=4 7709 B11R0.111 CNC(=O)CNCCCC(=O)N 34a_100000739312_100000183359 [0,2,0,0,0,0|2,0,0]=4 7710 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,2,0,0,0,0|1,0,1]=4 7711 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,2,0,0,0,0|1,0,1]=4 7712 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,2,0,0,0,0|1,0,1]=4 7713 B11R0.111 CNC(=O)COCCCC(=O)N 34a_100000750040_100102525003 [0,2,0,0,0,0|2,0,0]=4 7714 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,2,0,0,0,0|1,0,1]=4 7715 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,2,0,0,0,0|1,0,1]=4 7716 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100000183359_100102525003 [0,2,0,0,0,0|2,0,0]=4 7717 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100102525003_100000183359 [0,2,0,0,0,0|2,0,0]=4 7718 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [0,2,0,0,0,0|2,0,0]=4 7719 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [0,2,0,0,0,0|2,0,0]=4 7720 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [0,2,0,0,0,0|2,0,0]=4 7721 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [0,2,0,0,0,0|2,0,0]=4 7722 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,2,0,0,0,0|0,0,1]=3 7723 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,2,0,0,0,0|0,0,1]=3 7724 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,2,0,0,0,0|0,0,1]=3 7725 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,2,0,0,0,0|1,0,1]=4 7726 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,2,0,0,0,0|1,0,1]=4 7727 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,2,0,0,0,0|1,0,1]=4 7728 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [0,2,0,0,0,0|2,0,0]=4 7729 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,2,0,0,0,0|2,0,0]=4 7730 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,2,0,0,0,0|1,0,1]=4 7731 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100000747473_100011218270 [0,2,0,0,0,0|2,0,0]=4 7732 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100011218270_100000747473 [0,2,0,0,0,0|2,0,0]=4 7733 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100011218270_100020667443 [0,2,0,0,0,0|2,0,0]=4 7734 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011218270 [0,2,0,0,0,0|2,0,0]=4 7735 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,2,0,0,0,0|1,0,1]=4 7736 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,2,0,0,0,0|1,0,1]=4 7737 B11R0.111 COC(=O)CCOCCC(=O)N 34a_100000757172_100000742370 [0,2,0,0,0,0|2,0,0]=4 7738 B11R0.111 COC(=O)CCOCCC(=O)N 7a_100000757172_100000204255 [0,2,0,0,0,0|2,0,0]=4 7739 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,2,0,0,0,0|1,0,1]=4 7740 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,2,0,0,0,0|1,0,1]=4 7741 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000204255_100000744528 [0,2,0,0,0,0|2,0,0]=4 7742 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000744528_100000204255 [0,2,0,0,0,0|2,0,0]=4 7743 B11R0.111 COC(=O)CNCCCC(=O)N 34a_100000739312_100000747449 [0,2,0,0,0,0|2,0,0]=4 7744 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,2,0,0,0,0|1,0,1]=4 7745 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,2,0,0,0,0|1,0,1]=4 7746 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,2,0,0,0,0|1,0,1]=4 7747 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,2,0,0,0,0|1,0,1]=4 7748 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100000747449_100102525003 [0,2,0,0,0,0|2,0,0]=4 7749 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100102525003_100000747449 [0,2,0,0,0,0|2,0,0]=4 7750 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [0,2,0,0,0,0|1,0,1]=4 7751 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [0,2,0,0,0,0|1,0,1]=4 7752 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [0,2,0,0,0,0|1,0,1]=4 7753 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [0,2,0,0,0,0|1,0,1]=4 7754 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,2,0,0,0,0|1,0,0]=3 7755 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [0,2,0,0,0,0|2,0,0]=4 7756 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [0,2,0,0,0,0|2,0,0]=4 7757 B11R0.111 O=C(CF)CCCCC[N+](=O)[O-] 1458a_100000043470_100015361967 [0,2,0,0,0,0|2,0,0]=4 7758 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [0,2,0,0,0,0|2,0,0]=4 7759 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,2,0,0,0,0|0,0,2]=4 7760 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,2,0,0,0,0|0,0,2]=4 7761 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,2,0,0,0,0|0,0,2]=4 7762 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,2,0,0,0,0|0,0,2]=4 7763 B11R0.148 C#CCCCCNCOC(=O)C 34a_100000706060_100009813279 [0,2,0,0,0,0|0,0,2]=4 7764 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,2,0,0,0,0|0,0,2]=4 7765 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,2,0,0,0,0|0,0,2]=4 7766 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,2,0,0,0,0|0,0,2]=4 7767 B11R0.148 C#CCCCCOCOC(=O)C 34a_100000766709_100009813279 [0,2,0,0,0,0|0,0,2]=4 7768 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,2,0,0,0,0|0,0,2]=4 7769 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,2,0,0,0,0|0,0,2]=4 7770 B11R0.148 C#CCCCCSCOC(=O)C 62a_100000076356_100010269958 [0,2,0,0,0,0|0,0,2]=4 7771 B11R0.148 C#CCCCCSCOC(=O)C 62a_100010269958_100000076356 [0,2,0,0,0,0|0,0,2]=4 7772 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,2,0,0,0,0|0,0,2]=4 7773 B11R0.148 C#CCCCNCCNC(=O)C 2230a_100000209853_100000731252 [0,2,0,0,0,0|0,0,2]=4 7774 B11R0.148 C#CCCCNCCOC(=O)C 34a_100000718082_100009814007 [0,2,0,0,0,0|0,0,2]=4 7775 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,2,0,0,0,0|0,0,2]=4 7776 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,2,0,0,0,0|0,0,2]=4 7777 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,2,0,0,0,0|0,0,2]=4 7778 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,2,0,0,0,0|0,0,2]=4 7779 B11R0.148 C#CCCCOCCNC(=O)C 34a_100000158858_100000695029 [0,2,0,0,0,0|0,0,2]=4 7780 B11R0.148 C#CCCCOCCNC(=O)C 7a_100000215630_100000189650 [0,2,0,0,0,0|0,0,2]=4 7781 B11R0.148 C#CCCCOCCOC(=O)C 34a_100000215630_100009814007 [0,2,0,0,0,0|0,0,2]=4 7782 B11R0.148 C#CCCCOCCOC(=O)C 7a_100000215630_100009814007 [0,2,0,0,0,0|0,0,2]=4 7783 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,2,0,0,0,0|0,0,2]=4 7784 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,2,0,0,0,0|0,0,2]=4 7785 B11R0.148 C#CCCCSCCNC(=O)C 62a_100000189650_100011215417 [0,2,0,0,0,0|0,0,2]=4 7786 B11R0.148 C#CCCCSCCNC(=O)C 62a_100011215417_100000189650 [0,2,0,0,0,0|0,0,2]=4 7787 B11R0.148 C#CCCCSCCOC(=O)C 62a_100009814007_100011215417 [0,2,0,0,0,0|0,0,2]=4 7788 B11R0.148 C#CCCCSCCOC(=O)C 62a_100011215417_100009814007 [0,2,0,0,0,0|0,0,2]=4 7789 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,2,0,0,0,0|0,0,2]=4 7790 B11R0.148 C#CCCNCCCNC(=O)C 34a_100000736810_100000688953 [0,2,0,0,0,0|0,0,2]=4 7791 B11R0.148 C#CCCNCCCOC(=O)C 34a_100000755551_100000042594 [0,2,0,0,0,0|0,0,2]=4 7792 B11R0.148 C#CCCNCCCSC(=O)C 34a_100000755551_100000038929 [0,2,0,0,0,0|0,0,2]=4 7793 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,2,0,0,0,0|0,0,2]=4 7794 B11R0.148 C#CCCOCCCNC(=O)C 34a_100000752032_100000688953 [0,2,0,0,0,0|0,0,2]=4 7795 B11R0.148 C#CCCOCCCOC(=O)C 34a_100011215631_100000042594 [0,2,0,0,0,0|0,0,2]=4 7796 B11R0.148 C#CCCOCCCSC(=O)C 34a_100011215631_100000038929 [0,2,0,0,0,0|0,0,2]=4 7797 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,2,0,0,0,0|0,0,2]=4 7798 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,2,0,0,0,0|0,0,2]=4 7799 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000042594_100000688953 [0,2,0,0,0,0|0,0,2]=4 7800 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000688953_100000042594 [0,2,0,0,0,0|0,0,2]=4 7801 B11R0.148 C#CCCSCCCSC(=O)C 62a_100000038929_100000688953 [0,2,0,0,0,0|0,0,2]=4 7802 B11R0.148 C#CCCSCCCSC(=O)C 62a_100000688953_100000038929 [0,2,0,0,0,0|0,0,2]=4 7803 B11R0.148 C#CCNCCCCNC(=O)C 2230a_200011368371_100000038162 [0,2,0,0,0,0|0,0,2]=4 7804 B11R0.148 C#CCNCCCCNC(=O)C 34a_200011368371_100000184674 [0,2,0,0,0,0|0,0,2]=4 7805 B11R0.148 C#CCNCCCCOC(=O)C 34a_100000212058_100000033659 [0,2,0,0,0,0|0,0,2]=4 7806 B11R0.148 C#CCNCCCCSC(=O)C 34a_100000212058_200010402107 [0,2,0,0,0,0|0,0,2]=4 7807 B11R0.148 C#CCOCCCCOC(=O)C 34a_100000073216_100000184674 [0,2,0,0,0,0|0,0,2]=4 7808 B11R0.148 C#CCOCCCCOC(=O)C 34a_100000210247_100000033659 [0,2,0,0,0,0|0,0,2]=4 7809 B11R0.148 C#CCOCCCCOC(=O)C 7a_100000073216_100000038162 [0,2,0,0,0,0|0,0,2]=4 7810 B11R0.148 C#CCOCCCCSC(=O)C 34a_100000210247_200010402107 [0,2,0,0,0,0|0,0,2]=4 7811 B11R0.148 C#CCOCCOCCC(=O)C 1458a_100000070787_100010408581 [0,2,0,0,0,0|0,0,2]=4 7812 B11R0.148 C#CCOCCOCCC(=O)C 1458a_100019993476_200000210301 [0,2,0,0,0,0|0,0,2]=4 7813 B11R0.148 C#CCOCCOCCC(=O)C 34a_100000759926_100010402529 [0,2,0,0,0,0|0,0,2]=4 7814 B11R0.148 C#CCOCCOCCC(=O)C 7a_100000054580_100000053229 [0,2,0,0,0,0|0,0,2]=4 7815 B11R0.148 C#CCOCCOCCC(=O)C 7a_100000759926_100010402529 [0,2,0,0,0,0|0,0,2]=4 7816 B11R0.148 C#CCOCCOCCC(=O)[13CH3] 1458a_100019993476_200025704644 [0,2,0,0,0,0|0,0,2]=4 7817 B11R0.148 C#CCOCCSCCC(=O)C 62a_100000053229_100010402529 [0,2,0,0,0,0|0,0,2]=4 7818 B11R0.148 C#CCOCCSCCC(=O)C 62a_100010402529_100000053229 [0,2,0,0,0,0|0,0,2]=4 7819 B11R0.148 C#CCSCCCCOC(=O)C 62a_100000038162_100000033659 [0,2,0,0,0,0|0,0,2]=4 7820 B11R0.148 C#CCSCCCCSC(=O)C 62a_100000038162_200010402107 [0,2,0,0,0,0|0,0,2]=4 7821 B11R0.148 C/C=C/CCOCCC=C(C)C 34a_100016278192_100011217483 [0,2,0,0,0,0|1,0,1]=4 7822 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,2,0,0,0,0|0,0,0]=2 7823 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,2,0,0,0,0|1,0,0]=3 7824 B11R0.148 C/C=C/CCOCCCC(C)C 34a_100016278192_100011214892 [0,2,0,0,0,0|1,0,1]=4 7825 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [0,2,0,0,0,0|0,0,2]=4 7826 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [0,2,0,0,0,0|1,0,0]=3 7827 B11R0.148 C/C=C/CCOCCOC(=O)N 34a_100016278192_200011214921 [0,2,0,0,0,0|2,0,0]=4 7828 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,2,0,0,0,0|1,0,0]=3 7829 B11R0.148 C/C=C/CNCCCNC(=O)C 34a_100000736810_100102629194 [0,2,0,0,0,0|1,0,0]=3 7830 B11R0.148 C/C=C/CNCCOCC(=O)O 269956a_100000700818_100102629194 [0,2,0,0,0,0|2,0,0]=4 7831 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,2,0,0,0,0|0,0,0]=2 7832 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,2,0,0,0,0|1,0,0]=3 7833 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,2,0,0,0,0|1,0,0]=3 7834 B11R0.148 C/C=C/COCCCCC(C)C 34a_100011214890_100102629194 [0,2,0,0,0,0|1,0,1]=4 7835 B11R0.148 C/C=C/COCCCCC(C)C 34a_100016270725_100011216152 [0,2,0,0,0,0|1,0,1]=4 7836 B11R0.148 C/C=C/COCCCCC(C)C 7a_100011214890_100102629194 [0,2,0,0,0,0|1,0,1]=4 7837 B11R0.148 C/C=C/COCCCC[N+](=O)[O-] 34a_200015379883_100102629194 [0,2,0,0,0,0|2,0,0]=4 7838 B11R0.148 C/C=C/COCCCC[N+](=O)[O-] 7a_200015379883_100102629194 [0,2,0,0,0,0|2,0,0]=4 7839 B11R0.148 C/C=C/COCCCNC(=O)C 34a_100000752032_100102629194 [0,2,0,0,0,0|1,0,0]=3 7840 B11R0.148 C/C=C/COCCCOC(=O)C 34a_100016270725_100000042594 [0,2,0,0,0,0|1,0,0]=3 7841 B11R0.148 C/C=C/COCCCOC(=S)C 34a_100016270725_200135323944 [0,2,0,0,0,0|1,1,0]=4 7842 B11R0.148 C/C=C/COCCCSC(=O)C 34a_100016270725_100000038929 [0,2,0,0,0,0|1,0,0]=3 7843 B11R0.148 C/C=C/COCCOCC(=O)N 34a_100016270725_100000076697 [0,2,0,0,0,0|2,0,0]=4 7844 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,2,0,0,0,0|0,0,0]=2 7845 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,2,0,0,0,0|0,0,0]=2 7846 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100011216152_100102629194 [0,2,0,0,0,0|1,0,1]=4 7847 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100102629194_100011216152 [0,2,0,0,0,0|1,0,1]=4 7848 B11R0.148 C/C=C/CSCCCCN(C)C 62a_100102629194_100000690147 [0,2,0,0,0,0|2,0,0]=4 7849 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100000042594_100102629194 [0,2,0,0,0,0|1,0,0]=3 7850 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100102629194_100000042594 [0,2,0,0,0,0|1,0,0]=3 7851 B11R0.148 C/C=C/CSCCCOC(=S)C 62a_100102629194_200135323944 [0,2,0,0,0,0|1,1,0]=4 7852 B11R0.148 C/C=C/CSCCCOC(=S)C 62a_200135323944_100102629194 [0,2,0,0,0,0|1,1,0]=4 7853 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100000038929_100102629194 [0,2,0,0,0,0|1,0,0]=3 7854 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100102629194_100000038929 [0,2,0,0,0,0|1,0,0]=3 7855 B11R0.148 C/C=C/CSCCOCC(=O)N 62a_100000076697_100102629194 [0,2,0,0,0,0|2,0,0]=4 7856 B11R0.148 C/C=C/CSCCOCC(=O)N 62a_100102629194_100000076697 [0,2,0,0,0,0|2,0,0]=4 7857 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100000764851_100015370543 [0,2,0,0,0,0|2,0,0]=4 7858 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100016288707_100000730704 [0,2,0,0,0,0|2,0,0]=4 7859 B11R0.148 C=C(C)CCOCC/C=C\CC 7a_100016288707_100000730704 [0,2,0,0,0,0|2,0,0]=4 7860 B11R0.148 C=C(C)CCOCCC=C=CC 34a_100011020354_100000730704 [0,2,0,0,0,0|2,0,0]=4 7861 B11R0.148 C=C(C)CCOCCCC=CC 34a_100020645299_100000730704 [0,2,0,0,0,0|1,0,0]=3 7862 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100000730704_100015370543 [0,2,0,0,0,0|2,0,0]=4 7863 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100015370543_100000730704 [0,2,0,0,0,0|2,0,0]=4 7864 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [0,2,0,0,0,0|1,0,1]=4 7865 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [0,2,0,0,0,0|1,0,1]=4 7866 B11R0.148 C=C(C)COCCC/C=C/CC 34a_100016287902_100000748629 [0,2,0,0,0,0|2,0,0]=4 7867 B11R0.148 C=C(C)COCCC/C=C/CC 7a_100016287902_100000748629 [0,2,0,0,0,0|2,0,0]=4 7868 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [0,2,0,0,0,0|1,0,1]=4 7869 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [0,2,0,0,0,0|1,0,1]=4 7870 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,2,0,0,0,0|0,0,0]=2 7871 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,2,0,0,0,0|0,0,0]=2 7872 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,2,0,0,0,0|0,0,0]=2 7873 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,2,0,0,0,0|2,0,0]=4 7874 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,2,0,0,0,0|2,0,0]=4 7875 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [0,2,0,0,0,0|1,0,1]=4 7876 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [0,2,0,0,0,0|1,0,1]=4 7877 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,2,0,0,0,0|1,0,1]=4 7878 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,2,0,0,0,0|1,0,1]=4 7879 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,2,0,0,0,0|1,0,1]=4 7880 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [0,2,0,0,0,0|1,0,1]=4 7881 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [0,2,0,0,0,0|1,0,1]=4 7882 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,2,0,0,0,0|1,0,0]=3 7883 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,2,0,0,0,0|1,0,0]=3 7884 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [0,2,0,0,0,0|1,0,1]=4 7885 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [0,2,0,0,0,0|1,0,1]=4 7886 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [0,2,0,0,0,0|0,0,2]=4 7887 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [0,2,0,0,0,0|0,0,2]=4 7888 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [0,2,0,0,0,0|1,0,0]=3 7889 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [0,2,0,0,0,0|1,0,0]=3 7890 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [0,2,0,0,0,0|1,0,0]=3 7891 B11R0.148 C=CCCCCCOCC(=C)F 34a_100011216702_100009893438 [0,2,0,0,0,0|1,0,1]=4 7892 B11R0.148 C=CCCCCCOCC(=C)F 34a_200010262243_100000700193 [0,2,0,0,0,0|1,0,1]=4 7893 B11R0.148 C=CCCCCCOCC(=C)F 7a_100011216702_100000042424 [0,2,0,0,0,0|1,0,1]=4 7894 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,2,0,0,0,0|0,0,0]=2 7895 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,2,0,0,0,0|1,0,0]=3 7896 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,2,0,0,0,0|1,0,0]=3 7897 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,2,0,0,0,0|1,0,0]=3 7898 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [0,2,0,0,0,0|1,0,1]=4 7899 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [0,2,0,0,0,0|1,0,1]=4 7900 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [0,2,0,0,0,0|1,0,1]=4 7901 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [0,2,0,0,0,0|1,0,1]=4 7902 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [0,2,0,0,0,0|1,0,1]=4 7903 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,2,0,0,0,0|0,0,2]=4 7904 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,2,0,0,0,0|0,0,2]=4 7905 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [0,2,0,0,0,0|1,0,1]=4 7906 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [0,2,0,0,0,0|1,0,1]=4 7907 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,2,0,0,0,0|0,0,2]=4 7908 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,2,0,0,0,0|0,0,2]=4 7909 B11R0.148 C=CCCCCCOC[N+](=O)[O-] 34a_100011216702_100000761209 [0,2,0,0,0,0|2,0,0]=4 7910 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [0,2,0,0,0,0|1,0,0]=3 7911 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [0,2,0,0,0,0|1,0,0]=3 7912 B11R0.148 C=CCCCCCSCC(=C)F 62a_100000042424_100000700193 [0,2,0,0,0,0|1,0,1]=4 7913 B11R0.148 C=CCCCCCSCC(=C)F 62a_100000700193_100000042424 [0,2,0,0,0,0|1,0,1]=4 7914 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [0,2,0,0,0,0|1,0,0]=3 7915 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [0,2,0,0,0,0|1,0,0]=3 7916 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [0,2,0,0,0,0|1,0,0]=3 7917 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [0,2,0,0,0,0|1,0,0]=3 7918 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [0,2,0,0,0,0|1,0,1]=4 7919 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [0,2,0,0,0,0|1,0,1]=4 7920 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [0,2,0,0,0,0|0,0,2]=4 7921 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [0,2,0,0,0,0|0,0,2]=4 7922 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [0,2,0,0,0,0|0,0,2]=4 7923 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [0,2,0,0,0,0|0,0,2]=4 7924 B11R0.148 C=CCCCCCSC[N+](=O)[O-] 62a_100000700193_100000761209 [0,2,0,0,0,0|2,0,0]=4 7925 B11R0.148 C=CCCCCNCC=C(C)C 2230a_100000703577_100000761012 [0,2,0,0,0,0|1,0,0]=3 7926 B11R0.148 C=CCCCCNCC=C(C)C 34a_100000703577_100000761012 [0,2,0,0,0,0|1,0,0]=3 7927 B11R0.148 C=CCCCCNCC=C(C)C 34a_100000718196_100011215482 [0,2,0,0,0,0|1,0,0]=3 7928 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [0,2,0,0,0,0|1,0,0]=3 7929 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [0,2,0,0,0,0|1,0,0]=3 7930 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [0,2,0,0,0,0|1,0,0]=3 7931 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [0,2,0,0,0,0|1,0,0]=3 7932 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [0,2,0,0,0,0|1,0,1]=4 7933 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [0,2,0,0,0,0|1,0,1]=4 7934 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [0,2,0,0,0,0|1,0,1]=4 7935 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [0,2,0,0,0,0|0,0,2]=4 7936 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [0,2,0,0,0,0|0,0,2]=4 7937 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [0,2,0,0,0,0|0,0,2]=4 7938 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [0,2,0,0,0,0|0,0,0]=2 7939 B11R0.148 C=CCCCCNCOC(C)C 2230a_100000703577_100000709892 [0,2,0,0,0,0|1,0,1]=4 7940 B11R0.148 C=CCCCCNCOC(C)C 34a_100000703577_100000709892 [0,2,0,0,0,0|1,0,1]=4 7941 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [0,2,0,0,0,0|1,0,0]=3 7942 B11R0.148 C=CCCCCOCC=C(C)C 34a_100000753907_100011215482 [0,2,0,0,0,0|1,0,0]=3 7943 B11R0.148 C=CCCCCOCC=C(C)C 34a_100000766645_100000761012 [0,2,0,0,0,0|1,0,0]=3 7944 B11R0.148 C=CCCCCOCC=C(C)C 7a_100000766645_100000761012 [0,2,0,0,0,0|1,0,0]=3 7945 B11R0.148 C=CCCCCOCCC(=C)Br 34a_100009813270_100011215482 [0,2,0,0,0,0|1,0,1]=4 7946 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [0,2,0,0,0,0|1,0,0]=3 7947 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [0,2,0,0,0,0|1,0,0]=3 7948 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [0,2,0,0,0,0|1,0,0]=3 7949 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,2,0,0,0,0|0,0,0]=2 7950 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,2,0,0,0,0|0,0,0]=2 7951 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,2,0,0,0,0|0,0,0]=2 7952 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [0,2,0,0,0,0|1,0,0]=3 7953 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [0,2,0,0,0,0|1,0,0]=3 7954 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [0,2,0,0,0,0|1,0,0]=3 7955 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [0,2,0,0,0,0|1,0,0]=3 7956 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [0,2,0,0,0,0|1,0,1]=4 7957 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [0,2,0,0,0,0|1,0,1]=4 7958 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [0,2,0,0,0,0|1,0,1]=4 7959 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [0,2,0,0,0,0|1,0,1]=4 7960 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [0,2,0,0,0,0|1,0,1]=4 7961 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [0,2,0,0,0,0|0,0,2]=4 7962 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [0,2,0,0,0,0|0,0,2]=4 7963 B11R0.148 C=CCCCCOCCN(C)C 7a_100000766645_100000755713 [0,2,0,0,0,0|2,0,0]=4 7964 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [0,2,0,0,0,0|1,0,1]=4 7965 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [0,2,0,0,0,0|0,0,0]=2 7966 B11R0.148 C=CCCCCOCOC(C)C 34a_100000766645_100000709892 [0,2,0,0,0,0|1,0,1]=4 7967 B11R0.148 C=CCCCCSCC=C(C)C 62a_100000761012_100011215482 [0,2,0,0,0,0|1,0,0]=3 7968 B11R0.148 C=CCCCCSCC=C(C)C 62a_100011215482_100000761012 [0,2,0,0,0,0|1,0,0]=3 7969 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [0,2,0,0,0,0|1,0,0]=3 7970 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [0,2,0,0,0,0|1,0,0]=3 7971 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,2,0,0,0,0|0,0,0]=2 7972 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,2,0,0,0,0|0,0,0]=2 7973 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [0,2,0,0,0,0|1,0,0]=3 7974 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [0,2,0,0,0,0|1,0,0]=3 7975 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [0,2,0,0,0,0|1,0,1]=4 7976 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [0,2,0,0,0,0|1,0,1]=4 7977 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [0,2,0,0,0,0|0,0,2]=4 7978 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [0,2,0,0,0,0|0,0,2]=4 7979 B11R0.148 C=CCCCCSCCN(C)C 62a_100011215482_100000755713 [0,2,0,0,0,0|2,0,0]=4 7980 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [0,2,0,0,0,0|0,0,0]=2 7981 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [0,2,0,0,0,0|0,0,0]=2 7982 B11R0.148 C=CCCCCSCOC(C)C 62a_100000709892_100011215482 [0,2,0,0,0,0|1,0,1]=4 7983 B11R0.148 C=CCCCCSCOC(C)C 62a_100011215482_100000709892 [0,2,0,0,0,0|1,0,1]=4 7984 B11R0.148 C=CCCCNCCC=C(C)C 2230a_100000700776_100011217483 [0,2,0,0,0,0|1,0,0]=3 7985 B11R0.148 C=CCCCNCCC=C(C)C 34a_100000700776_100011217483 [0,2,0,0,0,0|1,0,0]=3 7986 B11R0.148 C=CCCCNCCC=C(F)F 2230a_100000700776_200009816681 [0,2,0,0,0,0|2,0,0]=4 7987 B11R0.148 C=CCCCNCCC=C(F)F 34a_100000700776_200009816681 [0,2,0,0,0,0|2,0,0]=4 7988 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,2,0,0,0,0|0,0,0]=2 7989 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [0,2,0,0,0,0|1,0,0]=3 7990 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [0,2,0,0,0,0|1,0,0]=3 7991 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [0,2,0,0,0,0|1,0,1]=4 7992 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [0,2,0,0,0,0|1,0,1]=4 7993 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [0,2,0,0,0,0|1,0,1]=4 7994 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [0,2,0,0,0,0|1,0,1]=4 7995 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [0,2,0,0,0,0|0,0,2]=4 7996 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [0,2,0,0,0,0|0,0,2]=4 7997 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [0,2,0,0,0,0|1,0,0]=3 7998 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [0,2,0,0,0,0|0,0,0]=2 7999 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [0,2,0,0,0,0|0,0,0]=2 8000 B11R0.148 C=CCCCNCCNC(=O)N 2230a_100000700776_200000034859 [0,2,0,0,0,0|1,0,0]=3 8001 B11R0.148 C=CCCCNCCNC(=O)N 34a_100020590234_100000757094 [0,2,0,0,0,0|1,0,0]=3 8002 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [0,2,0,0,0,0|0,0,0]=2 8003 B11R0.148 C=CCCCNCCOC(=O)N 34a_100000700776_200011214921 [0,2,0,0,0,0|1,0,0]=3 8004 B11R0.148 C=CCCCNCCOC(C)C 2230a_100000700776_100000211751 [0,2,0,0,0,0|1,0,1]=4 8005 B11R0.148 C=CCCCNCCOC(C)C 2230a_100000701111_100011713584 [0,2,0,0,0,0|1,0,1]=4 8006 B11R0.148 C=CCCCNCCOC(C)C 34a_100000700776_100000211751 [0,2,0,0,0,0|1,0,1]=4 8007 B11R0.148 C=CCCCNCCOC(C)C 34a_100000701111_100000757094 [0,2,0,0,0,0|1,0,1]=4 8008 B11R0.148 C=CCCCNCCSC(C)C 2230a_100000700776_100000730970 [0,2,0,0,0,0|1,0,1]=4 8009 B11R0.148 C=CCCCNCCSC(C)C 2230a_100000731138_100011713584 [0,2,0,0,0,0|1,0,1]=4 8010 B11R0.148 C=CCCCNCCSC(C)C 34a_100000700776_100000730970 [0,2,0,0,0,0|1,0,1]=4 8011 B11R0.148 C=CCCCNCCSC(C)C 34a_100000731138_100000757094 [0,2,0,0,0,0|1,0,1]=4 8012 B11R0.148 C=CCCCOCCC=C(C)C 34a_100000758997_100011217483 [0,2,0,0,0,0|1,0,0]=3 8013 B11R0.148 C=CCCCOCCC=C(C)C 7a_100000758997_100011217483 [0,2,0,0,0,0|1,0,0]=3 8014 B11R0.148 C=CCCCOCCC=C(F)F 34a_100000758997_200009816681 [0,2,0,0,0,0|2,0,0]=4 8015 B11R0.148 C=CCCCOCCC=C(F)F 7a_100000758997_200009816681 [0,2,0,0,0,0|2,0,0]=4 8016 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,2,0,0,0,0|0,0,0]=2 8017 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,2,0,0,0,0|0,0,0]=2 8018 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,2,0,0,0,0|0,0,0]=2 8019 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,2,0,0,0,0|0,0,0]=2 8020 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [0,2,0,0,0,0|1,0,0]=3 8021 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [0,2,0,0,0,0|1,0,0]=3 8022 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [0,2,0,0,0,0|1,0,1]=4 8023 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [0,2,0,0,0,0|1,0,1]=4 8024 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [0,2,0,0,0,0|1,0,1]=4 8025 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [0,2,0,0,0,0|1,0,1]=4 8026 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [0,2,0,0,0,0|0,0,2]=4 8027 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [0,2,0,0,0,0|0,0,2]=4 8028 B11R0.148 C=CCCCOCCCN(C)C 7a_100000758997_100000757444 [0,2,0,0,0,0|2,0,0]=4 8029 B11R0.148 C=CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000757094 [0,2,0,0,0,0|2,0,0]=4 8030 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [0,2,0,0,0,0|0,0,0]=2 8031 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [0,2,0,0,0,0|0,0,0]=2 8032 B11R0.148 C=CCCCOCCNC(=O)N 34a_100000181757_100000757094 [0,2,0,0,0,0|1,0,0]=3 8033 B11R0.148 C=CCCCOCCNC(=O)N 7a_100000758997_200000034859 [0,2,0,0,0,0|1,0,0]=3 8034 B11R0.148 C=CCCCOCCNC(C)C 34a_100000224655_100000757094 [0,2,0,0,0,0|1,0,1]=4 8035 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [0,2,0,0,0,0|0,0,0]=2 8036 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [0,2,0,0,0,0|0,0,0]=2 8037 B11R0.148 C=CCCCOCCOC(=O)N 34a_100000758997_200011214921 [0,2,0,0,0,0|1,0,0]=3 8038 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000758997_200011214921 [0,2,0,0,0,0|1,0,0]=3 8039 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000766696_100000757094 [0,2,0,0,0,0|1,0,0]=3 8040 B11R0.148 C=CCCCOCCOC(C)C 34a_100000211219_100000757094 [0,2,0,0,0,0|1,0,1]=4 8041 B11R0.148 C=CCCCOCCOC(C)C 34a_100000758997_100000211751 [0,2,0,0,0,0|1,0,1]=4 8042 B11R0.148 C=CCCCOCCOC(C)C 7a_100000211219_100000757094 [0,2,0,0,0,0|1,0,1]=4 8043 B11R0.148 C=CCCCOCCOC(C)C 7a_100000758997_100000211751 [0,2,0,0,0,0|1,0,1]=4 8044 B11R0.148 C=CCCCOCCSC(C)C 34a_100000758997_100000730970 [0,2,0,0,0,0|1,0,1]=4 8045 B11R0.148 C=CCCCOCCSC(C)C 34a_200011212901_100000757094 [0,2,0,0,0,0|1,0,1]=4 8046 B11R0.148 C=CCCCOCCSC(C)C 7a_100000758997_100000730970 [0,2,0,0,0,0|1,0,1]=4 8047 B11R0.148 C=CCCCOCCSC(C)C 7a_200011212901_100000757094 [0,2,0,0,0,0|1,0,1]=4 8048 B11R0.148 C=CCCCSCCC=C(C)C 62a_100011217483_100000757094 [0,2,0,0,0,0|1,0,0]=3 8049 B11R0.148 C=CCCCSCCC=C(C)C 62a_100011713584_100011217483 [0,2,0,0,0,0|1,0,0]=3 8050 B11R0.148 C=CCCCSCCC=C(F)F 62a_100011713584_200009816681 [0,2,0,0,0,0|2,0,0]=4 8051 B11R0.148 C=CCCCSCCC=C(F)F 62a_200009816681_100000757094 [0,2,0,0,0,0|2,0,0]=4 8052 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,2,0,0,0,0|0,0,0]=2 8053 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,2,0,0,0,0|0,0,0]=2 8054 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [0,2,0,0,0,0|1,0,0]=3 8055 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [0,2,0,0,0,0|1,0,0]=3 8056 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [0,2,0,0,0,0|1,0,1]=4 8057 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [0,2,0,0,0,0|1,0,1]=4 8058 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [0,2,0,0,0,0|0,0,2]=4 8059 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [0,2,0,0,0,0|0,0,2]=4 8060 B11R0.148 C=CCCCSCCCN(C)C 62a_100011713584_100000757444 [0,2,0,0,0,0|2,0,0]=4 8061 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [0,2,0,0,0,0|0,0,0]=2 8062 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [0,2,0,0,0,0|0,0,0]=2 8063 B11R0.148 C=CCCCSCCNC(=O)N 62a_100011713584_200000034859 [0,2,0,0,0,0|1,0,0]=3 8064 B11R0.148 C=CCCCSCCNC(=O)N 62a_200000034859_100000757094 [0,2,0,0,0,0|1,0,0]=3 8065 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [0,2,0,0,0,0|0,0,0]=2 8066 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [0,2,0,0,0,0|0,0,0]=2 8067 B11R0.148 C=CCCCSCCOC(=O)N 62a_100011713584_200011214921 [0,2,0,0,0,0|1,0,0]=3 8068 B11R0.148 C=CCCCSCCOC(=O)N 62a_200011214921_100000757094 [0,2,0,0,0,0|1,0,0]=3 8069 B11R0.148 C=CCCCSCCOC(C)C 62a_100000211751_100000757094 [0,2,0,0,0,0|1,0,1]=4 8070 B11R0.148 C=CCCCSCCOC(C)C 62a_100011713584_100000211751 [0,2,0,0,0,0|1,0,1]=4 8071 B11R0.148 C=CCCCSCCSC(C)C 62a_100000730970_100000757094 [0,2,0,0,0,0|1,0,1]=4 8072 B11R0.148 C=CCCCSCCSC(C)C 62a_100011713584_100000730970 [0,2,0,0,0,0|1,0,1]=4 8073 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [0,2,0,0,0,0|1,0,0]=3 8074 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [0,2,0,0,0,0|1,0,1]=4 8075 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [0,2,0,0,0,0|0,0,0]=2 8076 B11R0.148 C=CCCNCCCOC(=S)C 2230a_100015191253_200135323944 [0,2,0,0,0,0|0,1,0]=3 8077 B11R0.148 C=CCCNCCCOC(C)C 2230a_100000737246_100000754431 [0,2,0,0,0,0|1,0,1]=4 8078 B11R0.148 C=CCCNCCCOC(C)C 34a_100000737246_100000754431 [0,2,0,0,0,0|1,0,1]=4 8079 B11R0.148 C=CCCNCCCSC(=O)C 2230a_100015191253_100000038929 [0,2,0,0,0,0|0,0,0]=2 8080 B11R0.148 C=CCCNCCOCC(=O)N 2230a_100015191253_100000076697 [0,2,0,0,0,0|1,0,0]=3 8081 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [0,2,0,0,0,0|1,0,0]=3 8082 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,2,0,0,0,0|0,0,0]=2 8083 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [0,2,0,0,0,0|1,0,0]=3 8084 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [0,2,0,0,0,0|1,0,0]=3 8085 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [0,2,0,0,0,0|1,0,1]=4 8086 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [0,2,0,0,0,0|1,0,1]=4 8087 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [0,2,0,0,0,0|1,0,1]=4 8088 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000754431 [0,2,0,0,0,0|2,0,0]=4 8089 B11R0.148 C=CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000754431 [0,2,0,0,0,0|2,0,0]=4 8090 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [0,2,0,0,0,0|0,0,0]=2 8091 B11R0.148 C=CCCOCCCNC(C)C 34a_100000182298_100000754431 [0,2,0,0,0,0|1,0,1]=4 8092 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [0,2,0,0,0,0|0,0,0]=2 8093 B11R0.148 C=CCCOCCCOC(=S)C 34a_100011205117_200135323944 [0,2,0,0,0,0|0,1,0]=3 8094 B11R0.148 C=CCCOCCCSC(=O)C 34a_100011205117_100000038929 [0,2,0,0,0,0|0,0,0]=2 8095 B11R0.148 C=CCCOCCNCC(C)C 34a_100015185251_100000754431 [0,2,0,0,0,0|1,0,1]=4 8096 B11R0.148 C=CCCOCCOCC(=O)N 34a_100011205117_100000076697 [0,2,0,0,0,0|1,0,0]=3 8097 B11R0.148 C=CCCOCCOCC(C)C 34a_100000703358_100000754431 [0,2,0,0,0,0|1,0,1]=4 8098 B11R0.148 C=CCCOCCOCC(C)C 7a_100000703358_100000754431 [0,2,0,0,0,0|1,0,1]=4 8099 B11R0.148 C=CCCOCCSCC(C)C 34a_200000230437_100000754431 [0,2,0,0,0,0|1,0,1]=4 8100 B11R0.148 C=CCCOCCSCC(C)C 7a_200000230437_100000754431 [0,2,0,0,0,0|1,0,1]=4 8101 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,2,0,0,0,0|0,0,0]=2 8102 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,2,0,0,0,0|0,0,0]=2 8103 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [0,2,0,0,0,0|1,0,1]=4 8104 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [0,2,0,0,0,0|1,0,1]=4 8105 B11R0.148 C=CCCSCCCCN(C)C 62a_100000754431_100000690147 [0,2,0,0,0,0|2,0,0]=4 8106 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [0,2,0,0,0,0|0,0,0]=2 8107 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [0,2,0,0,0,0|0,0,0]=2 8108 B11R0.148 C=CCCSCCCOC(=S)C 62a_100000754431_200135323944 [0,2,0,0,0,0|0,1,0]=3 8109 B11R0.148 C=CCCSCCCOC(=S)C 62a_200135323944_100000754431 [0,2,0,0,0,0|0,1,0]=3 8110 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000038929_100000754431 [0,2,0,0,0,0|0,0,0]=2 8111 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000754431_100000038929 [0,2,0,0,0,0|0,0,0]=2 8112 B11R0.148 C=CCCSCCOCC(=O)N 62a_100000076697_100000754431 [0,2,0,0,0,0|1,0,0]=3 8113 B11R0.148 C=CCCSCCOCC(=O)N 62a_100000754431_100000076697 [0,2,0,0,0,0|1,0,0]=3 8114 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [0,2,0,0,0,0|1,0,0]=3 8115 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [0,2,0,0,0,0|1,0,1]=4 8116 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [0,2,0,0,0,0|1,0,1]=4 8117 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [0,2,0,0,0,0|1,0,1]=4 8118 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [0,2,0,0,0,0|0,0,0]=2 8119 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [0,2,0,0,0,0|0,0,0]=2 8120 B11R0.148 C=CCNCCCCSC(=O)C 2230a_100020586998_200010402107 [0,2,0,0,0,0|0,0,0]=2 8121 B11R0.148 C=CCNCCCOCC(C)C 2230a_100000205972_100000210623 [0,2,0,0,0,0|1,0,1]=4 8122 B11R0.148 C=CCNCCCOCC(C)C 34a_100000205972_100015514636 [0,2,0,0,0,0|1,0,1]=4 8123 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [0,2,0,0,0,0|1,0,0]=3 8124 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [0,2,0,0,0,0|1,0,0]=3 8125 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [0,2,0,0,0,0|1,0,0]=3 8126 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [0,2,0,0,0,0|1,0,0]=3 8127 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [0,2,0,0,0,0|1,0,1]=4 8128 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [0,2,0,0,0,0|1,0,1]=4 8129 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [0,2,0,0,0,0|1,0,1]=4 8130 B11R0.148 C=CCOCCCCNC(C)C 34a_100011521146_100015514636 [0,2,0,0,0,0|1,0,1]=4 8131 B11R0.148 C=CCOCCCCOC(=O)C 34a_100000073216_100015514636 [0,2,0,0,0,0|0,0,0]=2 8132 B11R0.148 C=CCOCCCCOC(=O)C 34a_200000210373_100000033659 [0,2,0,0,0,0|0,0,0]=2 8133 B11R0.148 C=CCOCCCCOC(=O)C 7a_100000073216_100015514636 [0,2,0,0,0,0|0,0,0]=2 8134 B11R0.148 C=CCOCCCCO[N+](=O)[O-] 34a_200000210373_100015694321 [0,2,0,0,0,0|2,0,0]=4 8135 B11R0.148 C=CCOCCCCSC(=O)C 34a_200000210373_200010402107 [0,2,0,0,0,0|0,0,0]=2 8136 B11R0.148 C=CCOCCOCC=C(C)C 34a_100000037705_100000761012 [0,2,0,0,0,0|1,0,1]=4 8137 B11R0.148 C=CCOCCOCC=C(C)C 7a_100000037705_100000761012 [0,2,0,0,0,0|1,0,1]=4 8138 B11R0.148 C=CCOCCOCCC(=C)C 34a_100000037705_100000730704 [0,2,0,0,0,0|1,0,0]=3 8139 B11R0.148 C=CCOCCOCCC(=C)C 7a_100000037705_100000730704 [0,2,0,0,0,0|1,0,0]=3 8140 B11R0.148 C=CCOCCOCCC(=O)C 7a_100000037705_100000053229 [0,2,0,0,0,0|0,0,0]=2 8141 B11R0.148 C=CCOCCOCCC(=O)N 34a_100000037705_100000731001 [0,2,0,0,0,0|1,0,0]=3 8142 B11R0.148 C=CCOCCOCCC(=O)N 7a_100000037705_100000744528 [0,2,0,0,0,0|1,0,0]=3 8143 B11R0.148 C=CCOCCOCCC(C)C 34a_100000037705_100000210312 [0,2,0,0,0,0|1,0,1]=4 8144 B11R0.148 C=CCOCCOCCC(C)C 7a_100000037705_100000210626 [0,2,0,0,0,0|1,0,1]=4 8145 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [0,2,0,0,0,0|0,0,2]=4 8146 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [0,2,0,0,0,0|0,0,2]=4 8147 B11R0.148 C=CCOCCOCCN(C)C 7a_100000037705_100000755713 [0,2,0,0,0,0|2,0,0]=4 8148 B11R0.148 C=CCOCCOCOC(=O)C 34a_100000037705_100009813279 [0,2,0,0,0,0|1,0,0]=3 8149 B11R0.148 C=CCOCOCCOC(=O)C 34a_200000210373_100000076355 [0,2,0,0,0,0|1,0,0]=3 8150 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [0,2,0,0,0,0|1,0,0]=3 8151 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [0,2,0,0,0,0|1,0,0]=3 8152 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [0,2,0,0,0,0|1,0,1]=4 8153 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [0,2,0,0,0,0|1,0,1]=4 8154 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000033659_100000210623 [0,2,0,0,0,0|0,0,0]=2 8155 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000210623_100000033659 [0,2,0,0,0,0|0,0,0]=2 8156 B11R0.148 C=CCSCCCCO[N+](=O)[O-] 62a_100000210623_100015694321 [0,2,0,0,0,0|2,0,0]=4 8157 B11R0.148 C=CCSCCCCSC(=O)C 62a_100000210623_200010402107 [0,2,0,0,0,0|0,0,0]=2 8158 B11R0.148 C=CCSCCCCSC(=O)C 62a_200010402107_100000210623 [0,2,0,0,0,0|0,0,0]=2 8159 B11R0.148 C=CCSCOCCOC(=O)C 62a_100000076355_100000210623 [0,2,0,0,0,0|1,0,0]=3 8160 B11R0.148 C=CCSCOCCOC(=O)C 62a_100000210623_100000076355 [0,2,0,0,0,0|1,0,0]=3 8161 B11R0.148 C=COCCCCOCC(=C)C 34a_100000031558_100000748629 [0,2,0,0,0,0|1,0,0]=3 8162 B11R0.148 C=COCCCCOCC(=C)C 7a_100000031558_100000748629 [0,2,0,0,0,0|1,0,0]=3 8163 B11R0.148 C=COCCCCOCC(=C)F 34a_100000031558_100009893438 [0,2,0,0,0,0|1,0,1]=4 8164 B11R0.148 C=COCCCCOCC(=C)F 7a_100000031558_100000042424 [0,2,0,0,0,0|1,0,1]=4 8165 B11R0.148 C=COCCCCOCC(=O)N 34a_100000031558_100000187820 [0,2,0,0,0,0|1,0,0]=3 8166 B11R0.148 C=COCCCCOCC(=O)N 7a_100000031558_100000187820 [0,2,0,0,0,0|1,0,0]=3 8167 B11R0.148 C=COCCCCOCC(=O)[O-] 34a_100000031558_100020667443 [0,2,0,0,0,0|1,0,0]=3 8168 B11R0.148 C=COCCCCOCC(C)C 34a_100000031558_100000210624 [0,2,0,0,0,0|1,0,1]=4 8169 B11R0.148 C=COCCCCOCC(C)C 7a_100000031558_100000210760 [0,2,0,0,0,0|1,0,1]=4 8170 B11R0.148 C=COCCCCOCC(C)O 34a_100000031558_100011218427 [0,2,0,0,0,0|0,0,2]=4 8171 B11R0.148 C=COCCCCOCC(C)O 7a_100000031558_100011218427 [0,2,0,0,0,0|0,0,2]=4 8172 B11R0.148 C=COCCCCOC[C@@H](C)O 34a_100000031558_100009817552 [0,2,0,0,0,0|0,0,2]=4 8173 B11R0.148 C=COCCCCOC[C@@H](C)O 7a_100000031558_100009817552 [0,2,0,0,0,0|0,0,2]=4 8174 B11R0.148 C=COCCCCOC[N+](=O)[O-] 34a_100000031558_100000761209 [0,2,0,0,0,0|2,0,0]=4 8175 B11R0.148 C=COCCCNCC=C(C)C 2230a_100000210767_100000761012 [0,2,0,0,0,0|1,0,1]=4 8176 B11R0.148 C=COCCCNCC=C(C)C 34a_100000210767_100000761012 [0,2,0,0,0,0|1,0,1]=4 8177 B11R0.148 C=COCCCNCCC(=C)C 2230a_100000210767_100000730704 [0,2,0,0,0,0|1,0,0]=3 8178 B11R0.148 C=COCCCNCCC(=C)C 34a_100000210767_100000730704 [0,2,0,0,0,0|1,0,0]=3 8179 B11R0.148 C=COCCCNCCC(=O)N 2230a_100000210767_100000744528 [0,2,0,0,0,0|1,0,0]=3 8180 B11R0.148 C=COCCCNCCC(=O)N 34a_100000210767_100000731001 [0,2,0,0,0,0|1,0,0]=3 8181 B11R0.148 C=COCCCNCCC(C)C 2230a_100000210767_100000210312 [0,2,0,0,0,0|1,0,1]=4 8182 B11R0.148 C=COCCCNCCC(C)C 269862a_100000210767_100000185833 [0,2,0,0,0,0|1,0,1]=4 8183 B11R0.148 C=COCCCNCCC(C)C 34a_100000210767_100000210312 [0,2,0,0,0,0|1,0,1]=4 8184 B11R0.148 C=COCCCNCCC(C)O 2230a_100000210767_100012276601 [0,2,0,0,0,0|0,0,2]=4 8185 B11R0.148 C=COCCCNCCC(C)O 34a_100000210767_100012276601 [0,2,0,0,0,0|0,0,2]=4 8186 B11R0.148 C=COCCCNCOC(=O)C 34a_100000210767_100009813279 [0,2,0,0,0,0|1,0,0]=3 8187 B11R0.148 C=COCCNCCCC(=O)N 34a_100000739312_100000039644 [0,2,0,0,0,0|1,0,0]=3 8188 B11R0.148 C=COCCNCCCC(C)C 2230a_200000737386_100000039644 [0,2,0,0,0,0|1,0,1]=4 8189 B11R0.148 C=COCCNCCCC(C)C 34a_200000737386_100000039644 [0,2,0,0,0,0|1,0,1]=4 8190 B11R0.148 C=COCCNCCCS(=O)C 2230a_200000753449_100000039644 [0,2,0,0,0,0|1,0,0]=3 8191 B11R0.148 C=COCCNCCNC(=O)C 2230a_100000209853_100000039644 [0,2,0,0,0,0|1,0,0]=3 8192 B11R0.148 C=COCCNCCNC(=O)N 34a_100020590234_100000039644 [0,2,0,0,0,0|2,0,0]=4 8193 B11R0.148 C=COCCOCCC=C(C)C 34a_100000033082_100011217483 [0,2,0,0,0,0|1,0,1]=4 8194 B11R0.148 C=COCCOCCCC(=O)C 34a_100000033082_100000685027 [0,2,0,0,0,0|0,0,0]=2 8195 B11R0.148 C=COCCOCCCC(=O)C 34a_100000759063_100000039644 [0,2,0,0,0,0|0,0,0]=2 8196 B11R0.148 C=COCCOCCCC(=O)C 7a_100000759063_100000039644 [0,2,0,0,0,0|0,0,0]=2 8197 B11R0.148 C=COCCOCCCC(=O)N 34a_100000033082_100102525003 [0,2,0,0,0,0|1,0,0]=3 8198 B11R0.148 C=COCCOCCCC(C)C 34a_100000033082_100011214892 [0,2,0,0,0,0|1,0,1]=4 8199 B11R0.148 C=COCCOCCCC(C)C 34a_100000210774_100000039644 [0,2,0,0,0,0|1,0,1]=4 8200 B11R0.148 C=COCCOCCCC(C)C 7a_100000210774_100000039644 [0,2,0,0,0,0|1,0,1]=4 8201 B11R0.148 C=COCCOCCCC(C)O 34a_100000033082_200000718107 [0,2,0,0,0,0|0,0,2]=4 8202 B11R0.148 C=COCCOCCC[N+](=O)[O-] 34a_200000037920_100000039644 [0,2,0,0,0,0|2,0,0]=4 8203 B11R0.148 C=COCCOCCNC(=O)C 34a_100000158858_100000039644 [0,2,0,0,0,0|1,0,0]=3 8204 B11R0.148 C=COCCOCCNC(=O)N 34a_100000181757_100000039644 [0,2,0,0,0,0|2,0,0]=4 8205 B11R0.148 C=COCCOCCOC(=O)C 34a_100000033082_100009814007 [0,2,0,0,0,0|1,0,0]=3 8206 B11R0.148 C=COCCOCCOC(=O)N 34a_100000033082_200011214921 [0,2,0,0,0,0|2,0,0]=4 8207 B11R0.148 C=COCCOCCOC(=O)N 7a_100000766696_100000039644 [0,2,0,0,0,0|2,0,0]=4 8208 B11R0.148 C=COCCSCCC=C(C)C 62a_100000039644_100011217483 [0,2,0,0,0,0|1,0,1]=4 8209 B11R0.148 C=COCCSCCC=C(C)C 62a_100011217483_100000039644 [0,2,0,0,0,0|1,0,1]=4 8210 B11R0.148 C=COCCSCCCC(=O)C 62a_100000039644_100011215641 [0,2,0,0,0,0|0,0,0]=2 8211 B11R0.148 C=COCCSCCCC(=O)C 62a_100011215641_100000039644 [0,2,0,0,0,0|0,0,0]=2 8212 B11R0.148 C=COCCSCCCC(=O)N 62a_100000039644_100102525003 [0,2,0,0,0,0|1,0,0]=3 8213 B11R0.148 C=COCCSCCCC(=O)N 62a_100102525003_100000039644 [0,2,0,0,0,0|1,0,0]=3 8214 B11R0.148 C=COCCSCCCC(C)C 62a_100000039644_100011214892 [0,2,0,0,0,0|1,0,1]=4 8215 B11R0.148 C=COCCSCCCC(C)C 62a_100011214892_100000039644 [0,2,0,0,0,0|1,0,1]=4 8216 B11R0.148 C=COCCSCCCC(C)O 62a_100000039644_200000718107 [0,2,0,0,0,0|0,0,2]=4 8217 B11R0.148 C=COCCSCCCC(C)O 62a_200000718107_100000039644 [0,2,0,0,0,0|0,0,2]=4 8218 B11R0.148 C=COCCSCCCN(C)C 62a_100000039644_100000757444 [0,2,0,0,0,0|2,0,0]=4 8219 B11R0.148 C=COCCSCCNC(=O)C 62a_100000039644_100000189650 [0,2,0,0,0,0|1,0,0]=3 8220 B11R0.148 C=COCCSCCNC(=O)C 62a_100000189650_100000039644 [0,2,0,0,0,0|1,0,0]=3 8221 B11R0.148 C=COCCSCCNC(=O)N 62a_100000039644_200000034859 [0,2,0,0,0,0|2,0,0]=4 8222 B11R0.148 C=COCCSCCNC(=O)N 62a_200000034859_100000039644 [0,2,0,0,0,0|2,0,0]=4 8223 B11R0.148 C=COCCSCCOC(=O)C 62a_100000039644_100009814007 [0,2,0,0,0,0|1,0,0]=3 8224 B11R0.148 C=COCCSCCOC(=O)C 62a_100009814007_100000039644 [0,2,0,0,0,0|1,0,0]=3 8225 B11R0.148 C=COCCSCCOC(=O)N 62a_100000039644_200011214921 [0,2,0,0,0,0|2,0,0]=4 8226 B11R0.148 C=COCCSCCOC(=O)N 62a_200011214921_100000039644 [0,2,0,0,0,0|2,0,0]=4 8227 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,2,0,0,0,0|0,0,2]=4 8228 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,2,0,0,0,0|0,0,2]=4 8229 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,2,0,0,0,0|0,0,2]=4 8230 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,2,0,0,0,0|0,0,2]=4 8231 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,2,0,0,0,0|0,0,2]=4 8232 B11R0.148 CC(=CCCSCCCC=O)C 62a_100011217483_200011292268 [0,2,0,0,0,0|2,0,0]=4 8233 B11R0.148 CC(=CCCSCCCC=O)C 62a_200011292268_100011217483 [0,2,0,0,0,0|2,0,0]=4 8234 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000139335_100000761012 [0,2,0,0,0,0|2,0,0]=4 8235 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000761012_100000139335 [0,2,0,0,0,0|2,0,0]=4 8236 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|0,0,2]=4 8237 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,2,0,0,0,0|0,0,2]=4 8238 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,2,0,0,0,0|0,0,2]=4 8239 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,2,0,0,0,0|0,0,2]=4 8240 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,2,0,0,0,0|0,0,2]=4 8241 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,2,0,0,0,0|0,0,2]=4 8242 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,2,0,0,0,0|1,0,1]=4 8243 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,2,0,0,0,0|0,0,2]=4 8244 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,2,0,0,0,0|0,0,2]=4 8245 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,2,0,0,0,0|0,0,2]=4 8246 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,2,0,0,0,0|0,0,2]=4 8247 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|0,0,2]=4 8248 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|0,0,2]=4 8249 B11R0.148 CC(=O)CCCCSCSC#N 62a_100000211825_100000735457 [0,2,0,0,0,0|1,0,1]=4 8250 B11R0.148 CC(=O)CCCCSCSC#N 62a_100000735457_100000211825 [0,2,0,0,0,0|1,0,1]=4 8251 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,2,0,0,0,0|0,0,2]=4 8252 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,2,0,0,0,0|0,0,2]=4 8253 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,2,0,0,0,0|0,0,1]=3 8254 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,2,0,0,0,0|0,0,2]=4 8255 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,2,0,0,0,0|0,0,2]=4 8256 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,2,0,0,0,0|0,0,2]=4 8257 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,2,0,0,0,0|0,0,2]=4 8258 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,2,0,0,0,0|0,0,2]=4 8259 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,2,0,0,0,0|0,0,2]=4 8260 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,2,0,0,0,0|0,0,2]=4 8261 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,2,0,0,0,0|0,0,2]=4 8262 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,2,0,0,0,0|0,0,2]=4 8263 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,2,0,0,0,0|0,0,2]=4 8264 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,2,0,0,0,0|0,0,2]=4 8265 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,2,0,0,0,0|0,0,2]=4 8266 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,2,0,0,0,0|0,0,2]=4 8267 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,2,0,0,0,0|0,0,1]=3 8268 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,2,0,0,0,0|0,0,1]=3 8269 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,2,0,0,0,0|0,0,2]=4 8270 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,2,0,0,0,0|0,0,2]=4 8271 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,2,0,0,0,0|0,0,2]=4 8272 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,2,0,0,0,0|0,0,2]=4 8273 B11R0.148 CC(=O)CCCSCCSC#N 62a_100000034367_100011215641 [0,2,0,0,0,0|1,0,1]=4 8274 B11R0.148 CC(=O)CCCSCCSC#N 62a_100011215641_100000034367 [0,2,0,0,0,0|1,0,1]=4 8275 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,2,0,0,0,0|0,0,2]=4 8276 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,2,0,0,0,0|0,0,1]=3 8277 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,2,0,0,0,0|0,0,2]=4 8278 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,2,0,0,0,0|0,0,2]=4 8279 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,2,0,0,0,0|0,0,2]=4 8280 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,2,0,0,0,0|0,0,2]=4 8281 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,2,0,0,0,0|0,0,2]=4 8282 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|0,0,2]=4 8283 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|0,0,2]=4 8284 B11R0.148 CC(=O)CCOCCOCC#N 7a_100000759926_200000047693 [0,2,0,0,0,0|1,0,1]=4 8285 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,2,0,0,0,0|1,0,1]=4 8286 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,2,0,0,0,0|1,0,1]=4 8287 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,2,0,0,0,0|1,0,1]=4 8288 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,2,0,0,0,0|1,0,1]=4 8289 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,2,0,0,0,0|1,0,1]=4 8290 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,2,0,0,0,0|1,0,1]=4 8291 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,2,0,0,0,0|1,0,1]=4 8292 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,2,0,0,0,0|1,0,1]=4 8293 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,2,0,0,0,0|0,0,2]=4 8294 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,2,0,0,0,0|0,0,2]=4 8295 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,2,0,0,0,0|0,0,1]=3 8296 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,2,0,0,0,0|0,0,1]=3 8297 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,2,0,0,0,0|0,0,2]=4 8298 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,2,0,0,0,0|0,0,2]=4 8299 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,2,0,0,0,0|0,0,2]=4 8300 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,2,0,0,0,0|0,0,2]=4 8301 B11R0.148 CC(=O)CCSCCOCC#N 62a_100000053229_200000047693 [0,2,0,0,0,0|1,0,1]=4 8302 B11R0.148 CC(=O)CCSCCOCC#N 62a_200000047693_100000053229 [0,2,0,0,0,0|1,0,1]=4 8303 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,2,0,0,0,0|1,0,1]=4 8304 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,2,0,0,0,0|1,0,1]=4 8305 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,2,0,0,0,0|0,0,2]=4 8306 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|0,0,2]=4 8307 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,2,0,0,0,0|0,0,2]=4 8308 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,2,0,0,0,0|0,0,2]=4 8309 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,2,0,0,0,0|0,0,2]=4 8310 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,2,0,0,0,0|1,0,1]=4 8311 B11R0.148 CC(=O)NCCCCNCC#N 2230a_200011368371_100011215382 [0,2,0,0,0,0|1,0,1]=4 8312 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [0,2,0,0,0,0|1,0,0]=3 8313 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [0,2,0,0,0,0|1,0,0]=3 8314 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,2,0,0,0,0|1,0,1]=4 8315 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,2,0,0,0,0|1,0,1]=4 8316 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,2,0,0,0,0|1,0,1]=4 8317 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,2,0,0,0,0|1,0,1]=4 8318 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,2,0,0,0,0|1,0,1]=4 8319 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,2,0,0,0,0|1,0,1]=4 8320 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,2,0,0,0,0|1,0,1]=4 8321 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,2,0,0,0,0|1,0,1]=4 8322 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,2,0,0,0,0|1,0,1]=4 8323 B11R0.148 CC(=O)NCCNCCCC#N 2230a_100000209853_100000687738 [0,2,0,0,0,0|1,0,1]=4 8324 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [0,2,0,0,0,0|1,0,0]=3 8325 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,2,0,0,0,0|1,0,1]=4 8326 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,2,0,0,0,0|1,0,1]=4 8327 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,2,0,0,0,0|1,0,1]=4 8328 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,2,0,0,0,0|1,0,1]=4 8329 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,2,0,0,0,0|1,0,1]=4 8330 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,2,0,0,0,0|1,0,1]=4 8331 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,2,0,0,0,0|1,0,1]=4 8332 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000189650_100000687738 [0,2,0,0,0,0|1,0,1]=4 8333 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000687738_100000189650 [0,2,0,0,0,0|1,0,1]=4 8334 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [0,2,0,0,0,0|1,0,0]=3 8335 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [0,2,0,0,0,0|1,0,0]=3 8336 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,2,0,0,0,0|1,0,1]=4 8337 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,2,0,0,0,0|1,0,1]=4 8338 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,2,0,0,0,0|1,0,1]=4 8339 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,2,0,0,0,0|1,0,1]=4 8340 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,2,0,0,0,0|1,0,1]=4 8341 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,2,0,0,0,0|1,0,1]=4 8342 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,2,0,0,0,0|1,0,1]=4 8343 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,2,0,0,0,0|1,0,1]=4 8344 B11R0.148 CC(=O)OCCCCOCC#N 7a_100000073216_100011215382 [0,2,0,0,0,0|1,0,1]=4 8345 B11R0.148 CC(=O)OCCCCOCC=O 34a_100000073216_200009817547 [0,2,0,0,0,0|1,0,0]=3 8346 B11R0.148 CC(=O)OCCCCOCC=O 7a_100000073216_200015260668 [0,2,0,0,0,0|1,0,0]=3 8347 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,2,0,0,0,0|1,0,1]=4 8348 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,2,0,0,0,0|1,0,1]=4 8349 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,2,0,0,0,0|1,0,1]=4 8350 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,2,0,0,0,0|1,0,1]=4 8351 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,2,0,0,0,0|1,0,1]=4 8352 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,2,0,0,0,0|1,0,1]=4 8353 B11R0.148 CC(=O)OCCCCSCC#N 62a_100000033659_100011215382 [0,2,0,0,0,0|1,0,1]=4 8354 B11R0.148 CC(=O)OCCCCSCC#N 62a_100011215382_100000033659 [0,2,0,0,0,0|1,0,1]=4 8355 B11R0.148 CC(=O)OCCCCSCC=O 62a_100000033659_200015260668 [0,2,0,0,0,0|1,0,0]=3 8356 B11R0.148 CC(=O)OCCCCSCC=O 62a_200015260668_100000033659 [0,2,0,0,0,0|1,0,0]=3 8357 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,2,0,0,0,0|1,0,1]=4 8358 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,2,0,0,0,0|1,0,1]=4 8359 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,2,0,0,0,0|1,0,1]=4 8360 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,2,0,0,0,0|1,0,1]=4 8361 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,2,0,0,0,0|1,0,1]=4 8362 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,2,0,0,0,0|1,0,1]=4 8363 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,2,0,0,0,0|1,0,1]=4 8364 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,2,0,0,0,0|1,0,1]=4 8365 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,2,0,0,0,0|1,0,1]=4 8366 B11R0.148 CC(=O)OCCCOCCON 34a_100000700252_100000042594 [0,2,0,0,0,0|2,0,0]=4 8367 B11R0.148 CC(=O)OCCCSCCC#N 62a_100000042594_100011215226 [0,2,0,0,0,0|1,0,1]=4 8368 B11R0.148 CC(=O)OCCCSCCC#N 62a_100011215226_100000042594 [0,2,0,0,0,0|1,0,1]=4 8369 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,2,0,0,0,0|1,0,1]=4 8370 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,2,0,0,0,0|1,0,1]=4 8371 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,2,0,0,0,0|1,0,1]=4 8372 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,2,0,0,0,0|1,0,1]=4 8373 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,2,0,0,0,0|1,0,1]=4 8374 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,2,0,0,0,0|1,0,1]=4 8375 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,2,0,0,0,0|1,0,1]=4 8376 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,2,0,0,0,0|1,0,1]=4 8377 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,2,0,0,0,0|1,0,1]=4 8378 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,2,0,0,0,0|1,0,1]=4 8379 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,2,0,0,0,0|1,0,1]=4 8380 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,2,0,0,0,0|1,0,1]=4 8381 B11R0.148 CC(=O)OCCOCSCC=O 62a_100000076355_200015260668 [0,2,0,0,0,0|2,0,0]=4 8382 B11R0.148 CC(=O)OCCOCSCC=O 62a_200015260668_100000076355 [0,2,0,0,0,0|2,0,0]=4 8383 B11R0.148 CC(=O)OCCSCCCC#N 62a_100000687738_100009814007 [0,2,0,0,0,0|1,0,1]=4 8384 B11R0.148 CC(=O)OCCSCCCC#N 62a_100009814007_100000687738 [0,2,0,0,0,0|1,0,1]=4 8385 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,2,0,0,0,0|1,0,0]=3 8386 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,2,0,0,0,0|1,0,0]=3 8387 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,2,0,0,0,0|1,0,1]=4 8388 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,2,0,0,0,0|1,0,1]=4 8389 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,2,0,0,0,0|1,0,1]=4 8390 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,2,0,0,0,0|1,0,1]=4 8391 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,2,0,0,0,0|1,0,1]=4 8392 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,2,0,0,0,0|1,0,1]=4 8393 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,2,0,0,0,0|1,0,1]=4 8394 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,2,0,0,0,0|1,0,1]=4 8395 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,2,0,0,0,0|1,0,1]=4 8396 B11R0.148 CC(=O)OCSCCCCC#N 62a_100000076356_100000211819 [0,2,0,0,0,0|1,0,1]=4 8397 B11R0.148 CC(=O)OCSCCCCC#N 62a_100011219923_100000076356 [0,2,0,0,0,0|1,0,1]=4 8398 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [0,2,0,0,0,0|1,0,0]=3 8399 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [0,2,0,0,0,0|1,0,0]=3 8400 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,2,0,0,0,0|1,0,1]=4 8401 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,2,0,0,0,0|1,0,1]=4 8402 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,2,0,0,0,0|1,0,1]=4 8403 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,2,0,0,0,0|1,0,1]=4 8404 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,2,0,0,0,0|1,0,1]=4 8405 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,2,0,0,0,0|1,0,1]=4 8406 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,2,0,0,0,0|1,0,1]=4 8407 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,2,0,0,0,0|1,0,1]=4 8408 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,2,0,0,0,0|1,0,1]=4 8409 B11R0.148 CC(=O)SCCCCSCC#N 62a_100011215382_200010402107 [0,2,0,0,0,0|1,0,1]=4 8410 B11R0.148 CC(=O)SCCCCSCC#N 62a_200010402107_100011215382 [0,2,0,0,0,0|1,0,1]=4 8411 B11R0.148 CC(=O)SCCCCSCC=O 62a_200010402107_200015260668 [0,2,0,0,0,0|1,0,0]=3 8412 B11R0.148 CC(=O)SCCCCSCC=O 62a_200015260668_200010402107 [0,2,0,0,0,0|1,0,0]=3 8413 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,2,0,0,0,0|1,0,1]=4 8414 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,2,0,0,0,0|1,0,1]=4 8415 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,2,0,0,0,0|1,0,1]=4 8416 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,2,0,0,0,0|1,0,1]=4 8417 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,2,0,0,0,0|1,0,1]=4 8418 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,2,0,0,0,0|1,0,1]=4 8419 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,2,0,0,0,0|1,0,1]=4 8420 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,2,0,0,0,0|1,0,1]=4 8421 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,2,0,0,0,0|1,0,1]=4 8422 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,2,0,0,0,0|1,0,1]=4 8423 B11R0.148 CC(=O)SCCCOCCON 34a_100000700252_100000038929 [0,2,0,0,0,0|2,0,0]=4 8424 B11R0.148 CC(=O)SCCCSCCC#N 62a_100000038929_100011215226 [0,2,0,0,0,0|1,0,1]=4 8425 B11R0.148 CC(=O)SCCCSCCC#N 62a_100011215226_100000038929 [0,2,0,0,0,0|1,0,1]=4 8426 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,2,0,0,0,0|1,0,1]=4 8427 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,2,0,0,0,0|1,0,1]=4 8428 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,2,0,0,0,0|1,0,1]=4 8429 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,2,0,0,0,0|1,0,1]=4 8430 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,2,0,0,0,0|2,0,0]=4 8431 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,2,0,0,0,0|2,0,0]=4 8432 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,2,0,0,0,0|2,0,0]=4 8433 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|1,0,0]=3 8434 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|1,0,0]=3 8435 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|1,0,0]=3 8436 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,2,0,0,0,0|2,0,0]=4 8437 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,2,0,0,0,0|2,0,0]=4 8438 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,2,0,0,0,0|2,0,0]=4 8439 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,2,0,0,0,0|2,0,0]=4 8440 B11R0.148 CC/C=C\CCOCOC(=O)C 34a_100016288707_100009813279 [0,2,0,0,0,0|2,0,0]=4 8441 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,2,0,0,0,0|1,0,0]=3 8442 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,2,0,0,0,0|1,0,0]=3 8443 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,2,0,0,0,0|2,0,0]=4 8444 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,2,0,0,0,0|2,0,0]=4 8445 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100000076356_100015370543 [0,2,0,0,0,0|2,0,0]=4 8446 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100015370543_100000076356 [0,2,0,0,0,0|2,0,0]=4 8447 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,2,0,0,0,0|2,0,0]=4 8448 B11R0.148 CC/C=C\CNCCCS(=O)C 2230a_200000753449_100103147603 [0,2,0,0,0,0|2,0,0]=4 8449 B11R0.148 CC/C=C\CNCCNC(=O)C 2230a_100000209853_100103147603 [0,2,0,0,0,0|2,0,0]=4 8450 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,2,0,0,0,0|1,0,0]=3 8451 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,2,0,0,0,0|1,0,0]=3 8452 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,2,0,0,0,0|1,0,0]=3 8453 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,2,0,0,0,0|2,0,0]=4 8454 B11R0.148 CC/C=C\COCCNC(=O)C 34a_100000158858_100103147603 [0,2,0,0,0,0|2,0,0]=4 8455 B11R0.148 CC/C=C\COCCOC(=O)C 34a_100016268518_100009814007 [0,2,0,0,0,0|2,0,0]=4 8456 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,2,0,0,0,0|1,0,0]=3 8457 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,2,0,0,0,0|1,0,0]=3 8458 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,2,0,0,0,0|2,0,0]=4 8459 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,2,0,0,0,0|2,0,0]=4 8460 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100000189650_100103147603 [0,2,0,0,0,0|2,0,0]=4 8461 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100103147603_100000189650 [0,2,0,0,0,0|2,0,0]=4 8462 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100009814007_100103147603 [0,2,0,0,0,0|2,0,0]=4 8463 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100103147603_100009814007 [0,2,0,0,0,0|2,0,0]=4 8464 B11R0.148 CC=C=CCCOCCC(=O)N 34a_100011020354_100000731001 [0,2,0,0,0,0|2,0,0]=4 8465 B11R0.148 CC=C=CCCOCOC(=O)C 34a_100011020354_100009813279 [0,2,0,0,0,0|2,0,0]=4 8466 B11R0.148 CC=CCCCOCC=C(C)C 34a_100020645299_100000761012 [0,2,0,0,0,0|1,0,1]=4 8467 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,2,0,0,0,0|1,0,0]=3 8468 B11R0.148 CC=CCCCOCCC(C)C 34a_100020645299_100000210312 [0,2,0,0,0,0|1,0,1]=4 8469 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [0,2,0,0,0,0|0,0,2]=4 8470 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [0,2,0,0,0,0|1,0,0]=3 8471 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,2,0,0,0,0|1,0,0]=3 8472 B11R0.148 CC=CCNCCCNC(=O)C 34a_100000736810_100000070051 [0,2,0,0,0,0|1,0,0]=3 8473 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,2,0,0,0,0|1,0,0]=3 8474 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,2,0,0,0,0|1,0,0]=3 8475 B11R0.148 CC=CCOCCCCC(C)C 34a_100011214890_100000070051 [0,2,0,0,0,0|1,0,1]=4 8476 B11R0.148 CC=CCOCCCCC(C)C 7a_100011214890_100000070051 [0,2,0,0,0,0|1,0,1]=4 8477 B11R0.148 CC=CCOCCCC[N+](=O)[O-] 34a_200015379883_100000070051 [0,2,0,0,0,0|2,0,0]=4 8478 B11R0.148 CC=CCOCCCC[N+](=O)[O-] 7a_200015379883_100000070051 [0,2,0,0,0,0|2,0,0]=4 8479 B11R0.148 CC=CCOCCCNC(=O)C 34a_100000752032_100000070051 [0,2,0,0,0,0|1,0,0]=3 8480 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,2,0,0,0,0|0,0,0]=2 8481 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,2,0,0,0,0|0,0,0]=2 8482 B11R0.148 CC=CCSCCCCC(C)C 62a_100000070051_100011216152 [0,2,0,0,0,0|1,0,1]=4 8483 B11R0.148 CC=CCSCCCCC(C)C 62a_100011216152_100000070051 [0,2,0,0,0,0|1,0,1]=4 8484 B11R0.148 CC=CCSCCCCN(C)C 62a_100000070051_100000690147 [0,2,0,0,0,0|2,0,0]=4 8485 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000042594_100000070051 [0,2,0,0,0,0|1,0,0]=3 8486 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000070051_100000042594 [0,2,0,0,0,0|1,0,0]=3 8487 B11R0.148 CC=CCSCCCOC(=S)C 62a_100000070051_200135323944 [0,2,0,0,0,0|1,1,0]=4 8488 B11R0.148 CC=CCSCCCOC(=S)C 62a_200135323944_100000070051 [0,2,0,0,0,0|1,1,0]=4 8489 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000038929_100000070051 [0,2,0,0,0,0|1,0,0]=3 8490 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000070051_100000038929 [0,2,0,0,0,0|1,0,0]=3 8491 B11R0.148 CC=CCSCCOCC(=O)N 62a_100000070051_100000076697 [0,2,0,0,0,0|2,0,0]=4 8492 B11R0.148 CC=CCSCCOCC(=O)N 62a_100000076697_100000070051 [0,2,0,0,0,0|2,0,0]=4 8493 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,2,0,0,0,0|0,0,2]=4 8494 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|0,0,2]=4 8495 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|0,0,2]=4 8496 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|0,0,2]=4 8497 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|0,0,2]=4 8498 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,2,0,0,0,0|0,0,2]=4 8499 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,2,0,0,0,0|0,0,2]=4 8500 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,2,0,0,0,0|0,0,2]=4 8501 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,2,0,0,0,0|0,0,2]=4 8502 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,2,0,0,0,0|0,0,2]=4 8503 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 8504 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 8505 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 8506 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,2,0,0,0,0|0,0,2]=4 8507 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|0,0,2]=4 8508 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 8509 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|0,0,2]=4 8510 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 8511 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,2,0,0,0,0|0,0,2]=4 8512 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,2,0,0,0,0|0,0,2]=4 8513 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,2,0,0,0,0|0,0,2]=4 8514 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,2,0,0,0,0|0,0,2]=4 8515 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,2,0,0,0,0|0,0,2]=4 8516 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,2,0,0,0,0|0,0,2]=4 8517 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,2,0,0,0,0|0,0,2]=4 8518 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,2,0,0,0,0|0,0,2]=4 8519 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,2,0,0,0,0|0,0,2]=4 8520 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,2,0,0,0,0|0,0,2]=4 8521 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,2,0,0,0,0|0,0,2]=4 8522 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,2,0,0,0,0|0,0,2]=4 8523 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,2,0,0,0,0|0,0,2]=4 8524 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,2,0,0,0,0|0,0,2]=4 8525 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,2,0,0,0,0|0,0,2]=4 8526 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,2,0,0,0,0|0,0,2]=4 8527 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,2,0,0,0,0|0,0,2]=4 8528 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,2,0,0,0,0|0,0,2]=4 8529 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,2,0,0,0,0|0,0,2]=4 8530 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,2,0,0,0,0|0,0,2]=4 8531 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,2,0,0,0,0|0,0,2]=4 8532 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,2,0,0,0,0|0,0,2]=4 8533 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,2,0,0,0,0|0,0,2]=4 8534 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,2,0,0,0,0|0,0,2]=4 8535 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,2,0,0,0,0|0,0,2]=4 8536 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,2,0,0,0,0|0,0,2]=4 8537 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,2,0,0,0,0|0,0,2]=4 8538 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,2,0,0,0,0|0,0,2]=4 8539 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,2,0,0,0,0|0,0,2]=4 8540 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,2,0,0,0,0|0,0,2]=4 8541 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,2,0,0,0,0|0,0,2]=4 8542 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,2,0,0,0,0|0,0,2]=4 8543 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,2,0,0,0,0|0,0,2]=4 8544 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,2,0,0,0,0|0,0,2]=4 8545 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,2,0,0,0,0|0,0,2]=4 8546 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,2,0,0,0,0|0,0,2]=4 8547 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,2,0,0,0,0|0,0,2]=4 8548 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,2,0,0,0,0|0,0,2]=4 8549 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,2,0,0,0,0|0,0,2]=4 8550 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,2,0,0,0,0|0,0,2]=4 8551 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,2,0,0,0,0|0,0,2]=4 8552 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,2,0,0,0,0|0,0,2]=4 8553 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,2,0,0,0,0|0,0,2]=4 8554 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,2,0,0,0,0|0,0,2]=4 8555 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,2,0,0,0,0|0,0,2]=4 8556 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,2,0,0,0,0|0,0,2]=4 8557 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,2,0,0,0,0|0,0,2]=4 8558 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,2,0,0,0,0|0,0,2]=4 8559 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,2,0,0,0,0|0,0,2]=4 8560 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,2,0,0,0,0|0,0,2]=4 8561 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,2,0,0,0,0|0,0,2]=4 8562 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,2,0,0,0,0|0,0,2]=4 8563 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,2,0,0,0,0|0,0,2]=4 8564 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,2,0,0,0,0|0,0,2]=4 8565 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|0,0,2]=4 8566 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|0,0,2]=4 8567 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|0,0,2]=4 8568 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,2,0,0,0,0|0,0,2]=4 8569 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,2,0,0,0,0|0,0,2]=4 8570 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,2,0,0,0,0|0,0,2]=4 8571 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,2,0,0,0,0|0,0,2]=4 8572 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,2,0,0,0,0|0,0,2]=4 8573 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,2,0,0,0,0|0,0,2]=4 8574 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|0,0,2]=4 8575 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,2,0,0,0,0|0,0,2]=4 8576 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,2,0,0,0,0|0,0,2]=4 8577 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,2,0,0,0,0|0,0,2]=4 8578 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,2,0,0,0,0|0,0,2]=4 8579 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,2,0,0,0,0|0,0,2]=4 8580 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,2,0,0,0,0|0,0,2]=4 8581 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,2,0,0,0,0|0,0,2]=4 8582 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,2,0,0,0,0|0,0,2]=4 8583 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,2,0,0,0,0|0,0,2]=4 8584 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,2,0,0,0,0|0,0,2]=4 8585 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,2,0,0,0,0|0,0,2]=4 8586 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,2,0,0,0,0|0,0,2]=4 8587 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,2,0,0,0,0|0,0,2]=4 8588 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,2,0,0,0,0|0,0,2]=4 8589 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,2,0,0,0,0|0,0,2]=4 8590 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,2,0,0,0,0|0,0,2]=4 8591 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,2,0,0,0,0|0,0,2]=4 8592 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,2,0,0,0,0|0,0,2]=4 8593 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,2,0,0,0,0|0,0,2]=4 8594 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,2,0,0,0,0|0,0,2]=4 8595 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,2,0,0,0,0|0,0,2]=4 8596 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,2,0,0,0,0|0,0,2]=4 8597 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,2,0,0,0,0|0,0,2]=4 8598 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,2,0,0,0,0|0,0,2]=4 8599 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,2,0,0,0,0|0,0,2]=4 8600 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,2,0,0,0,0|0,0,2]=4 8601 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,2,0,0,0,0|0,0,2]=4 8602 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,2,0,0,0,0|0,0,2]=4 8603 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,2,0,0,0,0|0,0,2]=4 8604 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,2,0,0,0,0|0,0,2]=4 8605 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,2,0,0,0,0|1,0,1]=4 8606 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,2,0,0,0,0|0,0,2]=4 8607 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,2,0,0,0,0|0,0,2]=4 8608 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,2,0,0,0,0|1,0,1]=4 8609 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,2,0,0,0,0|0,0,2]=4 8610 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,2,0,0,0,0|0,0,2]=4 8611 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,2,0,0,0,0|1,0,1]=4 8612 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,2,0,0,0,0|1,0,1]=4 8613 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,2,0,0,0,0|0,0,2]=4 8614 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,2,0,0,0,0|1,0,1]=4 8615 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,2,0,0,0,0|1,0,1]=4 8616 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,2,0,0,0,0|0,0,2]=4 8617 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,2,0,0,0,0|0,0,2]=4 8618 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,2,0,0,0,0|0,0,2]=4 8619 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,2,0,0,0,0|1,0,1]=4 8620 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,2,0,0,0,0|1,0,1]=4 8621 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,2,0,0,0,0|0,0,2]=4 8622 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,2,0,0,0,0|0,0,2]=4 8623 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,2,0,0,0,0|1,0,1]=4 8624 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,2,0,0,0,0|1,0,1]=4 8625 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,2,0,0,0,0|1,0,1]=4 8626 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,2,0,0,0,0|1,0,1]=4 8627 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,2,0,0,0,0|1,0,1]=4 8628 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,2,0,0,0,0|1,0,1]=4 8629 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,2,0,0,0,0|0,0,2]=4 8630 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,2,0,0,0,0|1,0,1]=4 8631 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,2,0,0,0,0|1,0,1]=4 8632 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,2,0,0,0,0|1,0,1]=4 8633 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,2,0,0,0,0|1,0,1]=4 8634 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,2,0,0,0,0|1,0,1]=4 8635 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,2,0,0,0,0|1,0,1]=4 8636 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,2,0,0,0,0|1,0,1]=4 8637 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,2,0,0,0,0|1,0,1]=4 8638 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,2,0,0,0,0|1,0,1]=4 8639 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,2,0,0,0,0|1,0,1]=4 8640 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,2,0,0,0,0|0,0,2]=4 8641 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,2,0,0,0,0|0,0,2]=4 8642 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,2,0,0,0,0|1,0,1]=4 8643 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,2,0,0,0,0|1,0,1]=4 8644 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,2,0,0,0,0|1,0,1]=4 8645 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,2,0,0,0,0|1,0,1]=4 8646 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,2,0,0,0,0|1,0,1]=4 8647 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,2,0,0,0,0|1,0,1]=4 8648 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,2,0,0,0,0|1,0,1]=4 8649 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,2,0,0,0,0|1,0,1]=4 8650 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,2,0,0,0,0|1,0,1]=4 8651 B11R0.148 CS(=O)CCCNCCCC=O 2230a_200000753449_200011292268 [0,2,0,0,0,0|1,0,1]=4 8652 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,2,0,0,0,0|0,0,2]=4 8653 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,2,0,0,0,0|1,0,1]=4 8654 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,2,0,0,0,0|1,0,1]=4 8655 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,2,0,0,0,0|0,0,2]=4 8656 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,2,0,0,0,0|0,0,2]=4 8657 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,2,0,0,0,0|1,0,1]=4 8658 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,2,0,0,0,0|1,0,1]=4 8659 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,2,0,0,0,0|1,0,1]=4 8660 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,2,0,0,0,0|1,0,1]=4 8661 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,2,0,0,0,0|1,0,1]=4 8662 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,2,0,0,0,0|0,0,2]=4 8663 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,2,0,0,0,0|0,0,2]=4 8664 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,2,0,0,0,0|1,0,1]=4 8665 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,2,0,0,0,0|1,0,1]=4 8666 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,2,0,0,0,0|1,0,1]=4 8667 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,2,0,0,0,0|1,0,1]=4 8668 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,2,0,0,0,0|1,0,1]=4 8669 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,2,0,0,0,0|0,0,2]=4 8670 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,2,0,0,0,0|0,0,2]=4 8671 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,2,0,0,0,0|1,0,1]=4 8672 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,2,0,0,0,0|1,0,1]=4 8673 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,2,0,0,0,0|1,0,1]=4 8674 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,2,0,0,0,0|1,0,1]=4 8675 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,2,0,0,0,0|1,0,1]=4 8676 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,2,0,0,0,0|1,0,1]=4 8677 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,2,0,0,0,0|1,0,1]=4 8678 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,2,0,0,0,0|1,0,1]=4 8679 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,2,0,0,0,0|1,0,1]=4 8680 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,2,0,0,0,0|1,0,1]=4 8681 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,2,0,0,0,0|1,0,1]=4 8682 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [0,2,0,0,0,0|1,0,1]=4 8683 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [0,2,0,0,0,0|1,0,1]=4 8684 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [0,2,0,0,0,0|1,0,1]=4 8685 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [0,2,0,0,0,0|1,0,1]=4 8686 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [0,2,0,0,0,0|1,0,1]=4 8687 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [0,2,0,0,0,0|1,0,1]=4 8688 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [0,2,0,0,0,0|1,0,1]=4 8689 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [0,2,0,0,0,0|1,0,1]=4 8690 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [0,2,0,0,0,0|1,0,1]=4 8691 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,2,0,0,0,0|1,0,1]=4 8692 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [0,2,0,0,0,0|1,0,1]=4 8693 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [0,2,0,0,0,0|1,0,1]=4 8694 B11R0.148 NC(=O)NCCSCCCC=O 62a_200000034859_200011292268 [0,2,0,0,0,0|2,0,0]=4 8695 B11R0.148 NC(=O)NCCSCCCC=O 62a_200011292268_200000034859 [0,2,0,0,0,0|2,0,0]=4 8696 B11R0.148 NC(=O)OCCOCCCC=O 7a_100000766696_200011292268 [0,2,0,0,0,0|2,0,0]=4 8697 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011214921_200011292268 [0,2,0,0,0,0|2,0,0]=4 8698 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011292268_200011214921 [0,2,0,0,0,0|2,0,0]=4 8699 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,2,0,0,0,0|1,0,1]=4 8700 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [0,2,0,0,0,0|1,0,1]=4 8701 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [0,2,0,0,0,0|1,0,1]=4 8702 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [0,2,0,0,0,0|2,0,0]=4 8703 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [0,2,0,0,0,0|1,0,1]=4 8704 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,2,0,0,0,0|1,0,1]=4 8705 B11R0.159 C/C=C/CCOCCS(=O)(=O)C 34a_100016278192_100000731031 [0,2,0,0,0,0|2,0,0]=4 8706 B11R0.159 C/C=C/CNCCCS(=O)(=O)C 34a_100000742409_100102629194 [0,2,0,0,0,0|2,0,0]=4 8707 B11R0.159 C/C=C/COCCCS(=O)(=O)C 34a_100000689940_100102629194 [0,2,0,0,0,0|2,0,0]=4 8708 B11R0.159 C/C=C/COCCCS(=O)(=O)C 34a_100016270725_100000754308 [0,2,0,0,0,0|2,0,0]=4 8709 B11R0.159 C/C=C/COCCCS(=O)(=O)C 7a_100000689940_100102629194 [0,2,0,0,0,0|2,0,0]=4 8710 B11R0.159 C/C=C/CSCCCS(=O)(=O)C 62a_100000754308_100102629194 [0,2,0,0,0,0|2,0,0]=4 8711 B11R0.159 C/C=C/CSCCCS(=O)(=O)C 62a_100102629194_100000754308 [0,2,0,0,0,0|2,0,0]=4 8712 B11R0.159 C=CCCCCCNC(C)(C)C 2230a_100000715429_100000700193 [0,2,0,0,0,0|1,0,1]=4 8713 B11R0.159 C=CCCCCCOC(C)(C)C 34a_100011216702_100000210625 [0,2,0,0,0,0|1,0,1]=4 8714 B11R0.159 C=CCCCCCOC(C)(C)C 34a_100015890283_100000700193 [0,2,0,0,0,0|1,0,1]=4 8715 B11R0.159 C=CCCCCCOC(C)(C)C 7a_100015890283_100000700193 [0,2,0,0,0,0|1,0,1]=4 8716 B11R0.159 C=CCCCCCSC(C)(C)C 62a_100000211941_100000700193 [0,2,0,0,0,0|1,0,1]=4 8717 B11R0.159 C=CCCCCCSC(C)(C)C 62a_100000700193_100000211941 [0,2,0,0,0,0|1,0,1]=4 8718 B11R0.159 C=CCCCCNCC(C)(C)C 2230a_100000743828_100011215482 [0,2,0,0,0,0|1,0,1]=4 8719 B11R0.159 C=CCCCCNCC(C)(C)C 270004a_100000703577_100011204126 [0,2,0,0,0,0|1,0,1]=4 8720 B11R0.159 C=CCCCCNCC(C)(C)C 34a_100000703577_100011219605 [0,2,0,0,0,0|1,0,1]=4 8721 B11R0.159 C=CCCCCNCC(C)(C)F 2230a_100020643315_100011215482 [0,2,0,0,0,0|1,0,1]=4 8722 B11R0.159 C=CCCCCNCC(C)(C)F 34a_100000703577_100011997219 [0,2,0,0,0,0|1,0,1]=4 8723 B11R0.159 C=CCCCCNCC(C)(C)O 2230a_100000751335_100011215482 [0,2,0,0,0,0|0,0,2]=4 8724 B11R0.159 C=CCCCCNCC(C)(C)O 34a_100000703577_100000764493 [0,2,0,0,0,0|0,0,2]=4 8725 B11R0.159 C=CCCCCNCS(=O)(=O)[O-] 34a_100000703577_100009817235 [0,2,0,0,0,0|2,0,0]=4 8726 B11R0.159 C=CCCCCNC[Si](C)(C)C 2230a_100000703577_100000037933 [0,2,0,0,0,0|1,1,0]=4 8727 B11R0.159 C=CCCCCOCC(C)(C)C 34a_100000766645_100011219605 [0,2,0,0,0,0|1,0,1]=4 8728 B11R0.159 C=CCCCCOCC(C)(C)F 34a_100000716592_100011215482 [0,2,0,0,0,0|1,0,1]=4 8729 B11R0.159 C=CCCCCOCC(C)(C)F 34a_100000766645_100011997219 [0,2,0,0,0,0|1,0,1]=4 8730 B11R0.159 C=CCCCCOCC(C)(C)O 34a_100000766645_100000764493 [0,2,0,0,0,0|0,0,2]=4 8731 B11R0.159 C=CCCCCOCC(C)(C)O 7a_100000766645_100000764493 [0,2,0,0,0,0|0,0,2]=4 8732 B11R0.159 C=CCCCCOCC(C)(F)F 34a_100000068830_100011215482 [0,2,0,0,0,0|1,0,1]=4 8733 B11R0.159 C=CCCCCOCS(=O)(=O)[O-] 34a_100000766645_100009817235 [0,2,0,0,0,0|2,0,0]=4 8734 B11R0.159 C=CCCCCOC[Si](C)(C)C 7a_100000766645_100000233785 [0,2,0,0,0,0|1,1,0]=4 8735 B11R0.159 C=CCCCCSCC(C)(C)C 62a_100011215482_100011219605 [0,2,0,0,0,0|1,0,1]=4 8736 B11R0.159 C=CCCCCSCC(C)(C)C 62a_100011219605_100011215482 [0,2,0,0,0,0|1,0,1]=4 8737 B11R0.159 C=CCCCCSCC(C)(C)F 62a_100011215482_100011997219 [0,2,0,0,0,0|1,0,1]=4 8738 B11R0.159 C=CCCCCSCC(C)(C)F 62a_100011997219_100011215482 [0,2,0,0,0,0|1,0,1]=4 8739 B11R0.159 C=CCCCCSCC(C)(C)O 62a_100000764493_100011215482 [0,2,0,0,0,0|0,0,2]=4 8740 B11R0.159 C=CCCCCSCC(C)(C)O 62a_100011215482_100000764493 [0,2,0,0,0,0|0,0,2]=4 8741 B11R0.159 C=CCCCCSCS(=O)(=O)N 62a_100000741382_100011215482 [0,2,0,0,0,0|2,0,0]=4 8742 B11R0.159 C=CCCCCSCS(=O)(=O)N 62a_100011215482_100000741382 [0,2,0,0,0,0|2,0,0]=4 8743 B11R0.159 C=CCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011215482 [0,2,0,0,0,0|2,0,0]=4 8744 B11R0.159 C=CCCCCSCS(=O)(=O)[O-] 62a_100011215482_100009817235 [0,2,0,0,0,0|2,0,0]=4 8745 B11R0.159 C=CCCCCSC[N+](C)(C)C 62a_100011215482_200000036245 [0,2,0,0,0,0|2,0,0]=4 8746 B11R0.159 C=CCCCCSC[N+](C)(C)C 62a_200000036245_100011215482 [0,2,0,0,0,0|2,0,0]=4 8747 B11R0.159 C=CCCCCSC[Si](C)(C)C 62a_100000037933_100011215482 [0,2,0,0,0,0|1,1,0]=4 8748 B11R0.159 C=CCCCCSC[Si](C)(C)C 62a_100011215482_100000037933 [0,2,0,0,0,0|1,1,0]=4 8749 B11R0.159 C=CCCCNCCC(C)(C)C 2230a_100000700776_100000755188 [0,2,0,0,0,0|1,0,1]=4 8750 B11R0.159 C=CCCCNCCC(C)(C)C 2230a_100000738805_100011713584 [0,2,0,0,0,0|1,0,1]=4 8751 B11R0.159 C=CCCCNCCC(C)(C)C 34a_100000700776_100000755188 [0,2,0,0,0,0|1,0,1]=4 8752 B11R0.159 C=CCCCNCCC(C)(C)F 2230a_100016253952_100011713584 [0,2,0,0,0,0|1,0,1]=4 8753 B11R0.159 C=CCCCNCCC(C)(C)O 2230a_100000700776_100000702414 [0,2,0,0,0,0|0,0,2]=4 8754 B11R0.159 C=CCCCNCCC(C)(C)O 34a_100000700776_100000702414 [0,2,0,0,0,0|0,0,2]=4 8755 B11R0.159 C=CCCCNCCS(=O)(=O)C 2230a_100000700776_100000731031 [0,2,0,0,0,0|1,0,0]=3 8756 B11R0.159 C=CCCCNCCS(=O)(=O)C 2230a_100000740961_100011713584 [0,2,0,0,0,0|1,0,0]=3 8757 B11R0.159 C=CCCCNCCS(=O)(=O)C 34a_100000700776_100000731031 [0,2,0,0,0,0|1,0,0]=3 8758 B11R0.159 C=CCCCNCCS(=O)(=O)C 34a_100000740961_100000757094 [0,2,0,0,0,0|1,0,0]=3 8759 B11R0.159 C=CCCCNCCS(=O)(=O)N 2230a_100000738205_100011713584 [0,2,0,0,0,0|2,0,0]=4 8760 B11R0.159 C=CCCCNCCS(=O)(=O)N 34a_100000738205_100000757094 [0,2,0,0,0,0|2,0,0]=4 8761 B11R0.159 C=CCCCNCCS(=O)(=O)[O-] 2230a_100000700776_100000737633 [0,2,0,0,0,0|2,0,0]=4 8762 B11R0.159 C=CCCCNCCS(=O)(=O)[O-] 34a_100000700776_100000762736 [0,2,0,0,0,0|2,0,0]=4 8763 B11R0.159 C=CCCCNCC[N+](C)(C)C 34a_100000700776_100000085578 [0,2,0,0,0,0|2,0,0]=4 8764 B11R0.159 C=CCCCNCC[Si](C)(C)C 2230a_100000700776_200000733723 [0,2,0,0,0,0|1,1,0]=4 8765 B11R0.159 C=CCCCNCC[Si](C)(C)C 34a_100000700776_200000733723 [0,2,0,0,0,0|1,1,0]=4 8766 B11R0.159 C=CCCCOCCC(C)(C)C 34a_100000758997_100000755188 [0,2,0,0,0,0|1,0,1]=4 8767 B11R0.159 C=CCCCOCCC(C)(C)C 7a_100000758997_100000755188 [0,2,0,0,0,0|1,0,1]=4 8768 B11R0.159 C=CCCCOCCC(C)(C)C 7a_100000765024_100000757094 [0,2,0,0,0,0|1,0,1]=4 8769 B11R0.159 C=CCCCOCCC(C)(C)O 34a_100000758997_100000702414 [0,2,0,0,0,0|0,0,2]=4 8770 B11R0.159 C=CCCCOCCC(C)(C)O 7a_100000758997_100000702414 [0,2,0,0,0,0|0,0,2]=4 8771 B11R0.159 C=CCCCOCCS(=O)(=O)C 34a_100000211924_100000757094 [0,2,0,0,0,0|1,0,0]=3 8772 B11R0.159 C=CCCCOCCS(=O)(=O)C 34a_100000758997_100000731031 [0,2,0,0,0,0|1,0,0]=3 8773 B11R0.159 C=CCCCOCCS(=O)(=O)C 7a_100000211924_100000757094 [0,2,0,0,0,0|1,0,0]=3 8774 B11R0.159 C=CCCCOCCS(=O)(=O)C 7a_100000758997_100000230027 [0,2,0,0,0,0|1,0,0]=3 8775 B11R0.159 C=CCCCOCCS(=O)(=O)N 34a_100012334274_100000757094 [0,2,0,0,0,0|2,0,0]=4 8776 B11R0.159 C=CCCCOCCS(=O)(=O)[O-] 34a_100000758997_100000762736 [0,2,0,0,0,0|2,0,0]=4 8777 B11R0.159 C=CCCCOCC[N+](C)(C)C 34a_100000758997_100000085578 [0,2,0,0,0,0|2,0,0]=4 8778 B11R0.159 C=CCCCOCC[N+](C)(C)C 7a_100000758997_100000085578 [0,2,0,0,0,0|2,0,0]=4 8779 B11R0.159 C=CCCCOCC[N+](C)(C)C 7a_200020618287_100000757094 [0,2,0,0,0,0|2,0,0]=4 8780 B11R0.159 C=CCCCOCC[Si](C)(C)C 34a_100000758997_200000733723 [0,2,0,0,0,0|1,1,0]=4 8781 B11R0.159 C=CCCCOCC[Si](C)(C)C 7a_100000039746_100000757094 [0,2,0,0,0,0|1,1,0]=4 8782 B11R0.159 C=CCCCOCC[Si](C)(C)C 7a_100000758997_200000733723 [0,2,0,0,0,0|1,1,0]=4 8783 B11R0.159 C=CCCCSCCC(C)(C)C 62a_100000755188_100000757094 [0,2,0,0,0,0|1,0,1]=4 8784 B11R0.159 C=CCCCSCCC(C)(C)C 62a_100011713584_100000755188 [0,2,0,0,0,0|1,0,1]=4 8785 B11R0.159 C=CCCCSCCC(C)(C)O 62a_100000702414_100000757094 [0,2,0,0,0,0|0,0,2]=4 8786 B11R0.159 C=CCCCSCCC(C)(C)O 62a_100011713584_100000702414 [0,2,0,0,0,0|0,0,2]=4 8787 B11R0.159 C=CCCCSCCS(=O)(=O)C 62a_100000731031_100000757094 [0,2,0,0,0,0|1,0,0]=3 8788 B11R0.159 C=CCCCSCCS(=O)(=O)C 62a_100011713584_100000230027 [0,2,0,0,0,0|1,0,0]=3 8789 B11R0.159 C=CCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000757094 [0,2,0,0,0,0|2,0,0]=4 8790 B11R0.159 C=CCCCSCCS(=O)(=O)[O-] 62a_100011713584_100000762736 [0,2,0,0,0,0|2,0,0]=4 8791 B11R0.159 C=CCCCSCC[N+](C)(C)C 62a_100000085578_100000757094 [0,2,0,0,0,0|2,0,0]=4 8792 B11R0.159 C=CCCCSCC[N+](C)(C)C 62a_100011713584_100000085578 [0,2,0,0,0,0|2,0,0]=4 8793 B11R0.159 C=CCCCSCC[Si](C)(C)C 62a_100011713584_200000733723 [0,2,0,0,0,0|1,1,0]=4 8794 B11R0.159 C=CCCCSCC[Si](C)(C)C 62a_200000733723_100000757094 [0,2,0,0,0,0|1,1,0]=4 8795 B11R0.159 C=CCCNCCCC(C)(C)O 2230a_100015191253_100009888830 [0,2,0,0,0,0|0,0,2]=4 8796 B11R0.159 C=CCCNCCCS(=O)(=O)C 2230a_100000742409_100000754431 [0,2,0,0,0,0|1,0,0]=3 8797 B11R0.159 C=CCCNCCCS(=O)(=O)C 2230a_100015191253_100000754308 [0,2,0,0,0,0|1,0,0]=3 8798 B11R0.159 C=CCCNCCCS(=O)(=O)C 34a_100000742409_100000754431 [0,2,0,0,0,0|1,0,0]=3 8799 B11R0.159 C=CCCNCCCS(=O)(=O)N 2230a_100015191253_100000750626 [0,2,0,0,0,0|2,0,0]=4 8800 B11R0.159 C=CCCNCCC[N+](C)(C)C 2230a_100015191253_100016990835 [0,2,0,0,0,0|2,0,0]=4 8801 B11R0.159 C=CCCNCCC[Si](C)(C)C 2230a_100015191253_100011219597 [0,2,0,0,0,0|1,1,0]=4 8802 B11R0.159 C=CCCNCCNS(=O)(=O)C 2230a_100015191253_100000754112 [0,2,0,0,0,0|2,0,0]=4 8803 B11R0.159 C=CCCNCCNS(=O)(=O)C 34a_100000752411_100000754431 [0,2,0,0,0,0|2,0,0]=4 8804 B11R0.159 C=CCCNCCOS(=O)(=O)C 2230a_100015191253_200000036756 [0,2,0,0,0,0|2,0,0]=4 8805 B11R0.159 C=CCCOCCCC(C)(C)O 34a_100011205117_100009888830 [0,2,0,0,0,0|0,0,2]=4 8806 B11R0.159 C=CCCOCCCS(=O)(=O)C 34a_100000689940_100000754431 [0,2,0,0,0,0|1,0,0]=3 8807 B11R0.159 C=CCCOCCCS(=O)(=O)C 34a_100011205117_100000754308 [0,2,0,0,0,0|1,0,0]=3 8808 B11R0.159 C=CCCOCCCS(=O)(=O)C 7a_100000689940_100000754431 [0,2,0,0,0,0|1,0,0]=3 8809 B11R0.159 C=CCCOCCCS(=O)(=O)N 34a_100011205117_100000750626 [0,2,0,0,0,0|2,0,0]=4 8810 B11R0.159 C=CCCOCCCS(=O)(=O)[O-] 34a_100011205117_100009813499 [0,2,0,0,0,0|2,0,0]=4 8811 B11R0.159 C=CCCOCCC[N+](C)(C)C 34a_100011205117_100016990835 [0,2,0,0,0,0|2,0,0]=4 8812 B11R0.159 C=CCCOCCC[Si](C)(C)C 34a_100011205117_100011219597 [0,2,0,0,0,0|1,1,0]=4 8813 B11R0.159 C=CCCOCCC[Si](C)(C)C 7a_200011215415_100000754431 [0,2,0,0,0,0|1,1,0]=4 8814 B11R0.159 C=CCCOCCOS(=O)(=O)C 34a_100011205117_200000036756 [0,2,0,0,0,0|2,0,0]=4 8815 B11R0.159 C=CCCSCCCC(C)(C)O 62a_100000754431_100009888830 [0,2,0,0,0,0|0,0,2]=4 8816 B11R0.159 C=CCCSCCCC(C)(C)O 62a_100009888830_100000754431 [0,2,0,0,0,0|0,0,2]=4 8817 B11R0.159 C=CCCSCCCS(=O)(=O)C 62a_100000754308_100000754431 [0,2,0,0,0,0|1,0,0]=3 8818 B11R0.159 C=CCCSCCCS(=O)(=O)C 62a_100000754431_100000754308 [0,2,0,0,0,0|1,0,0]=3 8819 B11R0.159 C=CCCSCCCS(=O)(=O)N 62a_100000750626_100000754431 [0,2,0,0,0,0|2,0,0]=4 8820 B11R0.159 C=CCCSCCCS(=O)(=O)N 62a_100000754431_100000750626 [0,2,0,0,0,0|2,0,0]=4 8821 B11R0.159 C=CCCSCCCS(=O)(=O)[O-] 62a_100000754431_100009813499 [0,2,0,0,0,0|2,0,0]=4 8822 B11R0.159 C=CCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000754431 [0,2,0,0,0,0|2,0,0]=4 8823 B11R0.159 C=CCCSCCC[N+](C)(C)C 62a_100000754431_100016990835 [0,2,0,0,0,0|2,0,0]=4 8824 B11R0.159 C=CCCSCCC[N+](C)(C)C 62a_100016990835_100000754431 [0,2,0,0,0,0|2,0,0]=4 8825 B11R0.159 C=CCCSCCC[Si](C)(C)C 62a_100000754431_100011219597 [0,2,0,0,0,0|1,1,0]=4 8826 B11R0.159 C=CCCSCCC[Si](C)(C)C 62a_100011219597_100000754431 [0,2,0,0,0,0|1,1,0]=4 8827 B11R0.159 C=CCCSCCNS(=O)(=O)C 62a_100000754112_100000754431 [0,2,0,0,0,0|2,0,0]=4 8828 B11R0.159 C=CCCSCCNS(=O)(=O)C 62a_100000754431_100000754112 [0,2,0,0,0,0|2,0,0]=4 8829 B11R0.159 C=CCCSCCOS(=O)(=O)C 62a_100000754431_200000036756 [0,2,0,0,0,0|2,0,0]=4 8830 B11R0.159 C=CCCSCCOS(=O)(=O)C 62a_200000036756_100000754431 [0,2,0,0,0,0|2,0,0]=4 8831 B11R0.159 C=CCNCCCNS(=O)(=O)C 34a_100000736790_100015514636 [0,2,0,0,0,0|2,0,0]=4 8832 B11R0.159 C=CCOCCCC[Si](C)(C)C 7a_200009881916_100015514636 [0,2,0,0,0,0|1,1,0]=4 8833 B11R0.159 C=COCCNCCS(=O)(=O)C 2230a_100000740961_100000039644 [0,2,0,0,0,0|2,0,0]=4 8834 B11R0.159 C=COCCNCCS(=O)(=O)C 34a_100000740961_100000039644 [0,2,0,0,0,0|2,0,0]=4 8835 B11R0.159 C=COCCOCCS(=O)(=O)C 34a_100000033082_100000731031 [0,2,0,0,0,0|2,0,0]=4 8836 B11R0.159 C=COCCOCCS(=O)(=O)C 34a_100000211924_100000039644 [0,2,0,0,0,0|2,0,0]=4 8837 B11R0.159 C=COCCOCCS(=O)(=O)C 7a_100000211924_100000039644 [0,2,0,0,0,0|2,0,0]=4 8838 B11R0.159 C=COCCSCCS(=O)(=O)C 62a_100000039644_100000230027 [0,2,0,0,0,0|2,0,0]=4 8839 B11R0.159 C=COCCSCCS(=O)(=O)C 62a_100000731031_100000039644 [0,2,0,0,0,0|2,0,0]=4 8840 B11R0.159 CC=CCNCCCS(=O)(=O)C 2230a_100000742409_100000070051 [0,2,0,0,0,0|2,0,0]=4 8841 B11R0.159 CC=CCNCCCS(=O)(=O)C 34a_100000742409_100000070051 [0,2,0,0,0,0|2,0,0]=4 8842 B11R0.159 CC=CCOCCCS(=O)(=O)C 34a_100000689940_100000070051 [0,2,0,0,0,0|2,0,0]=4 8843 B11R0.159 CC=CCOCCCS(=O)(=O)C 7a_100000689940_100000070051 [0,2,0,0,0,0|2,0,0]=4 8844 B11R0.159 CC=CCSCCCS(=O)(=O)C 62a_100000070051_100000754308 [0,2,0,0,0,0|2,0,0]=4 8845 B11R0.159 CC=CCSCCCS(=O)(=O)C 62a_100000754308_100000070051 [0,2,0,0,0,0|2,0,0]=4 8846 B11R0.159 CS(=O)(=O)CCNCCCC=O 2230a_100000740961_200011292268 [0,2,0,0,0,0|2,0,0]=4 8847 B11R0.159 CS(=O)(=O)CCOCCCC=O 7a_100000211924_200011292268 [0,2,0,0,0,0|2,0,0]=4 8848 B11R0.159 CS(=O)(=O)CCSCCCC=O 62a_100000731031_200011292268 [0,2,0,0,0,0|2,0,0]=4 8849 B11R0.159 CS(=O)(=O)CCSCCCC=O 62a_200011292268_100000230027 [0,2,0,0,0,0|2,0,0]=4 8850 B11R0.176 C#CCC(=O)CCCCC(=O)C 1458a_100011220946_100000735457 [0,2,0,0,0,0|0,0,2]=4 8851 B11R0.176 C#CCC(C)OCCCC(=O)C 34a_100000685586_100000685027 [0,2,0,0,0,0|0,0,2]=4 8852 B11R0.176 C#CCC(C)OCCCC(=O)C 7a_100000685586_100011215641 [0,2,0,0,0,0|0,0,2]=4 8853 B11R0.176 C#CCN(C)CCCCC(=O)C 34a_100000225692_100009817362 [0,2,0,0,0,0|0,0,2]=4 8854 B11R0.176 C/C=C/C(C)OCCCC(=O)C 34a_200102604097_100000685027 [0,2,0,0,0,0|1,0,0]=3 8855 B11R0.176 C/C=C/C(C)OCCCC(=O)N 34a_200102604097_100102525003 [0,2,0,0,0,0|2,0,0]=4 8856 B11R0.176 C/C=C/C(C)OCCOC(=O)C 34a_200102604097_100009814007 [0,2,0,0,0,0|2,0,0]=4 8857 B11R0.176 C=CCC(=O)CCCCC(=O)C 1458a_100000210193_100000735457 [0,2,0,0,0,0|0,0,0]=2 8858 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [0,2,0,0,0,0|1,0,1]=4 8859 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [0,2,0,0,0,0|1,0,1]=4 8860 B11R0.176 C=CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210623 [0,2,0,0,0,0|0,0,1]=3 8861 B11R0.176 C=CCC(=O)CCCOC(=O)C 1458a_100000210193_100000042594 [0,2,0,0,0,0|0,0,1]=3 8862 B11R0.176 C=CCC(=O)CCCOC(=S)C 1458a_100000210193_200135323944 [0,2,0,0,0,0|0,1,1]=4 8863 B11R0.176 C=CCC(=O)CCCSC(=O)C 1458a_100000210193_100000038929 [0,2,0,0,0,0|0,0,1]=3 8864 B11R0.176 C=CCC(=O)CCOCC(=O)N 1458a_100000210193_100000076697 [0,2,0,0,0,0|1,0,1]=4 8865 B11R0.176 C=CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210623 [0,2,0,0,0,0|1,0,1]=4 8866 B11R0.176 C=CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210193 [0,2,0,0,0,0|1,0,1]=4 8867 B11R0.176 C=CCC(=O)NCCCC(=O)N 527a_100000739312_100000210193 [0,2,0,0,0,0|1,0,1]=4 8868 B11R0.176 C=CCC(=O)NCCCS(=O)C 11a_200000753449_100000210193 [0,2,0,0,0,0|1,0,1]=4 8869 B11R0.176 C=CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210193 [0,2,0,0,0,0|1,0,1]=4 8870 B11R0.176 C=CCC(=O)NCCCS(=O)C 527a_200000753449_100000210193 [0,2,0,0,0,0|1,0,1]=4 8871 B11R0.176 C=CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210193 [0,2,0,0,0,0|1,0,1]=4 8872 B11R0.176 C=CCC(=O)NCCNC(=O)C 527a_100000209853_100000210193 [0,2,0,0,0,0|1,0,1]=4 8873 B11R0.176 C=CCC(=O)NCCOC(=O)C 11a_100000724843_100000210193 [0,2,0,0,0,0|1,0,1]=4 8874 B11R0.176 C=CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210193 [0,2,0,0,0,0|1,0,1]=4 8875 B11R0.176 C=CCC(=O)NCCOC(=O)C 527a_100000724843_100000210193 [0,2,0,0,0,0|1,0,1]=4 8876 B11R0.176 C=CCC(=O)NCCSC(=O)C 11a_100020647217_100000210193 [0,2,0,0,0,0|1,0,1]=4 8877 B11R0.176 C=CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210193 [0,2,0,0,0,0|1,0,1]=4 8878 B11R0.176 C=CCC(=O)NCCSC(=O)C 527a_100020647217_100000210193 [0,2,0,0,0,0|1,0,1]=4 8879 B11R0.176 C=CCC(C)COCC=C(C)C 34a_100009832082_100000761012 [0,2,0,0,0,0|1,0,1]=4 8880 B11R0.176 C=CCC(C)COCC=C(C)C 7a_100009832082_100000761012 [0,2,0,0,0,0|1,0,1]=4 8881 B11R0.176 C=CCC(C)COCCC(=C)C 34a_100009832082_100000730704 [0,2,0,0,0,0|1,0,0]=3 8882 B11R0.176 C=CCC(C)COCCC(=C)C 7a_100009832082_100000730704 [0,2,0,0,0,0|1,0,0]=3 8883 B11R0.176 C=CCC(C)COCCC(=O)C 7a_100009832082_100000053229 [0,2,0,0,0,0|0,0,0]=2 8884 B11R0.176 C=CCC(C)COCCC(=O)N 34a_100009832082_100000731001 [0,2,0,0,0,0|1,0,0]=3 8885 B11R0.176 C=CCC(C)COCCC(=O)N 7a_100009832082_100000744528 [0,2,0,0,0,0|1,0,0]=3 8886 B11R0.176 C=CCC(C)COCCC(C)C 34a_100009832082_100000210312 [0,2,0,0,0,0|1,0,1]=4 8887 B11R0.176 C=CCC(C)COCCC(C)C 7a_100009832082_100000210626 [0,2,0,0,0,0|1,0,1]=4 8888 B11R0.176 C=CCC(C)COCCC(C)O 34a_100009832082_100012276601 [0,2,0,0,0,0|0,0,2]=4 8889 B11R0.176 C=CCC(C)COCCC(C)O 7a_100009832082_100012276601 [0,2,0,0,0,0|0,0,2]=4 8890 B11R0.176 C=CCC(C)COCCN(C)C 7a_100009832082_100000755713 [0,2,0,0,0,0|2,0,0]=4 8891 B11R0.176 C=CCC(C)COCOC(=O)C 34a_100009832082_100009813279 [0,2,0,0,0,0|1,0,0]=3 8892 B11R0.176 C=CCN(C)CCCCC(=O)C 269982a_100000225617_100000735457 [0,2,0,0,0,0|0,0,0]=2 8893 B11R0.176 C=CCN(C)CCCCC(C)C 2230a_100000225617_100011216152 [0,2,0,0,0,0|1,0,1]=4 8894 B11R0.176 C=CCN(C)CCCCC(C)C 269982a_100000225617_100011216152 [0,2,0,0,0,0|1,0,1]=4 8895 B11R0.176 C=CCN(C)CCCCN(C)C 269982a_100000225617_100000690147 [0,2,0,0,0,0|2,0,0]=4 8896 B11R0.176 C=CCN(C)CCCOC(=O)C 269982a_100000225617_100000042594 [0,2,0,0,0,0|1,0,0]=3 8897 B11R0.176 C=CCN(C)CCCOC(=S)C 2230a_100000225617_200135323944 [0,2,0,0,0,0|1,1,0]=4 8898 B11R0.176 C=CCN(C)CCCOC(=S)C 269982a_100000225617_200135323944 [0,2,0,0,0,0|1,1,0]=4 8899 B11R0.176 C=CCN(C)CCCSC(=O)C 2230a_100000225617_100000038929 [0,2,0,0,0,0|1,0,0]=3 8900 B11R0.176 C=CCN(C)CCCSC(=O)C 269982a_100000225617_100000038929 [0,2,0,0,0,0|1,0,0]=3 8901 B11R0.176 C=CCN(C)CCOCC(=O)N 2230a_100000225617_100000076697 [0,2,0,0,0,0|2,0,0]=4 8902 B11R0.176 C=CCN(C)CCOCC(=O)N 269982a_100000225617_100000076697 [0,2,0,0,0,0|2,0,0]=4 8903 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 34a_100000731007_100011217483 [0,2,0,0,0,0|1,0,1]=4 8904 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 7a_100000731007_100011217483 [0,2,0,0,0,0|1,0,1]=4 8905 B11R0.176 C=CC[C@@H](C)OCCCC(=O)C 34a_100000731007_100000685027 [0,2,0,0,0,0|0,0,0]=2 8906 B11R0.176 C=CC[C@@H](C)OCCCC(=O)C 7a_100000731007_100011215641 [0,2,0,0,0,0|0,0,0]=2 8907 B11R0.176 C=CC[C@@H](C)OCCCC(=O)N 34a_100000731007_100102525003 [0,2,0,0,0,0|1,0,0]=3 8908 B11R0.176 C=CC[C@@H](C)OCCCC(=O)N 7a_100000731007_100102525003 [0,2,0,0,0,0|1,0,0]=3 8909 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 34a_100000731007_100011214892 [0,2,0,0,0,0|1,0,1]=4 8910 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 7a_100000731007_100011214892 [0,2,0,0,0,0|1,0,1]=4 8911 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 34a_100000731007_200000718107 [0,2,0,0,0,0|0,0,2]=4 8912 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 7a_100000731007_200000718107 [0,2,0,0,0,0|0,0,2]=4 8913 B11R0.176 C=CC[C@@H](C)OCCCN(C)C 7a_100000731007_100000757444 [0,2,0,0,0,0|2,0,0]=4 8914 B11R0.176 C=CC[C@@H](C)OCCNC(=O)C 7a_100000731007_100000189650 [0,2,0,0,0,0|1,0,0]=3 8915 B11R0.176 C=CC[C@@H](C)OCCNC(=O)N 7a_100000731007_200000034859 [0,2,0,0,0,0|2,0,0]=4 8916 B11R0.176 C=CC[C@@H](C)OCCOC(=O)C 34a_100000731007_100009814007 [0,2,0,0,0,0|1,0,0]=3 8917 B11R0.176 C=CC[C@@H](C)OCCOC(=O)C 7a_100000731007_100009814007 [0,2,0,0,0,0|1,0,0]=3 8918 B11R0.176 C=CC[C@@H](C)OCCOC(=O)N 34a_100000731007_200011214921 [0,2,0,0,0,0|2,0,0]=4 8919 B11R0.176 C=CC[C@@H](C)OCCOC(=O)N 7a_100000731007_200011214921 [0,2,0,0,0,0|2,0,0]=4 8920 B11R0.176 C=CC[C@@H](N)COCC=C(C)C 34a_100020615467_100000761012 [0,2,0,0,0,0|1,0,1]=4 8921 B11R0.176 C=CC[C@@H](N)COCCC(=C)C 34a_100020615467_100000730704 [0,2,0,0,0,0|1,0,0]=3 8922 B11R0.176 C=CC[C@@H](N)COCCC(=O)N 34a_100020615467_100000731001 [0,2,0,0,0,0|1,0,0]=3 8923 B11R0.176 C=CC[C@@H](N)COCCC(C)C 34a_100020615467_100000210312 [0,2,0,0,0,0|1,0,1]=4 8924 B11R0.176 C=CC[C@@H](N)COCCC(C)O 34a_100020615467_100012276601 [0,2,0,0,0,0|0,0,2]=4 8925 B11R0.176 C=CC[C@@H](N)COCOC(=O)C 34a_100020615467_100009813279 [0,2,0,0,0,0|1,0,0]=3 8926 B11R0.176 C=COC(=O)COCCC(=O)C 34a_100000759926_100000036128 [0,2,0,0,0,0|1,0,1]=4 8927 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000036128_100000053229 [0,2,0,0,0,0|1,0,1]=4 8928 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000053229_100000036128 [0,2,0,0,0,0|1,0,1]=4 8929 B11R0.176 CC(=O)CCCCC(=O)C=CBr 1458a_100016273825_100000735457 [0,2,0,0,0,0|0,0,1]=3 8930 B11R0.176 CC(=O)CCCCC(=O)C=CCl 1458a_200016279998_100000735457 [0,2,0,0,0,0|0,0,1]=3 8931 B11R0.176 CC(=O)CCCCC(=O)C=CI 1458a_100016256311_100000735457 [0,2,0,0,0,0|0,0,1]=3 8932 B11R0.176 CC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000735457 [0,2,0,0,0,0|1,0,1]=4 8933 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|1,0,1]=4 8934 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,2,0,0,0,0|1,0,1]=4 8935 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,2,0,0,0,0|1,0,1]=4 8936 B11R0.176 CC(=O)CCCOC(C)CC#N 7a_100000759063_100009813641 [0,2,0,0,0,0|1,0,1]=4 8937 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,2,0,0,0,0|1,0,1]=4 8938 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,2,0,0,0,0|1,0,1]=4 8939 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,2,0,0,0,0|1,0,1]=4 8940 B11R0.176 CC(=O)CCCSC(C)CC#N 62a_100009813641_100011215641 [0,2,0,0,0,0|1,0,1]=4 8941 B11R0.176 CC(=O)CCCSC(C)CC#N 62a_100011215641_100009813641 [0,2,0,0,0,0|1,0,1]=4 8942 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,2,0,0,0,0|1,0,1]=4 8943 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,2,0,0,0,0|1,0,1]=4 8944 B11R0.176 CC(=O)CCOC[C@@H](O)CC#N 7a_100000759926_100000001066 [0,2,0,0,0,0|1,0,1]=4 8945 B11R0.176 CC(=O)CCSC[C@@H](O)CC#N 62a_100000001066_100000053229 [0,2,0,0,0,0|1,0,1]=4 8946 B11R0.176 CC(=O)CCSC[C@@H](O)CC#N 62a_100000053229_100000001066 [0,2,0,0,0,0|1,0,1]=4 8947 B11R0.176 CC(=O)OCCCC(=O)C=CBr 1458a_100016273825_100000042594 [0,2,0,0,0,0|1,0,1]=4 8948 B11R0.176 CC(=O)OCCCC(=O)C=CCl 1458a_200016279998_100000042594 [0,2,0,0,0,0|1,0,1]=4 8949 B11R0.176 CC(=O)OCCCC(=O)C=CI 1458a_100016256311_100000042594 [0,2,0,0,0,0|1,0,1]=4 8950 B11R0.176 CC(=O)SCCCC(=O)C=CBr 1458a_100016273825_100000038929 [0,2,0,0,0,0|1,0,1]=4 8951 B11R0.176 CC(=O)SCCCC(=O)C=CCl 1458a_200016279998_100000038929 [0,2,0,0,0,0|1,0,1]=4 8952 B11R0.176 CC(=O)SCCCC(=O)C=CI 1458a_100016256311_100000038929 [0,2,0,0,0,0|1,0,1]=4 8953 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,2,0,0,0,0|0,0,1]=3 8954 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,2,0,0,0,0|1,0,1]=4 8955 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,2,0,0,0,0|1,0,1]=4 8956 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|0,0,2]=4 8957 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,2,0,0,0,0|0,0,2]=4 8958 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,2,0,0,0,0|0,0,2]=4 8959 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,2,0,0,0,0|0,0,2]=4 8960 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,2,0,0,0,0|0,0,2]=4 8961 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,2,0,0,0,0|0,0,2]=4 8962 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,2,0,0,0,0|0,0,2]=4 8963 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,2,0,0,0,0|0,0,2]=4 8964 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,2,0,0,0,0|0,0,2]=4 8965 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,2,0,0,0,0|0,0,2]=4 8966 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,2,0,0,0,0|0,0,2]=4 8967 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,2,0,0,0,0|0,0,2]=4 8968 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,2,0,0,0,0|0,0,2]=4 8969 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,2,0,0,0,0|1,0,1]=4 8970 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [0,2,0,0,0,0|1,0,1]=4 8971 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [0,2,0,0,0,0|1,0,1]=4 8972 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [0,2,0,0,0,0|1,0,1]=4 8973 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [0,2,0,0,0,0|1,0,1]=4 8974 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [0,2,0,0,0,0|1,0,1]=4 8975 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [0,2,0,0,0,0|1,0,1]=4 8976 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [0,2,0,0,0,0|1,0,1]=4 8977 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [0,2,0,0,0,0|1,0,1]=4 8978 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [0,2,0,0,0,0|1,0,1]=4 8979 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,2,0,0,0,0|1,0,1]=4 8980 B11R0.68 C=CCCC(=O)C(C)OC(=O)C 1458a_100000749702_100009818208 [0,2,0,0,0,0|1,0,1]=4 8981 B11R0.68 C=CCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000754431 [0,2,0,0,0,0|1,0,1]=4 8982 B11R0.68 C=CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000754431 [0,2,0,0,0,0|1,0,1]=4 8983 B11R0.68 C=CCCC(C)N(C)CC(=C)C 270004a_100000225649_100000762624 [0,2,0,0,0,0|2,0,0]=4 8984 B11R0.68 C=CCCC(C)N(C)CC(=O)N 270004a_100000739694_100000762624 [0,2,0,0,0,0|2,0,0]=4 8985 B11R0.68 C=CCCN(C)C(C)OC(=O)C 269982a_100020639649_100009818208 [0,2,0,0,0,0|2,0,0]=4 8986 B11R0.77 C=CCCCN(CC)CC(=C)C 2230a_100000211296_100011713584 [0,2,0,0,0,0|2,0,0]=4 8987 B11R0.77 C=CCCCN(CC)CC(=C)C 269982a_100000211296_100000757094 [0,2,0,0,0,0|2,0,0]=4 8988 B11R0.77 C=CCCCN(CC)CC(=O)O 269956a_100000746405_100011713584 [0,2,0,0,0,0|2,0,0]=4 8989 B11R0.77 C=CCCCN(CO)CC(=O)[O-] 269956a_100016989150_100011713584 [0,2,0,0,0,0|2,0,0]=4 8990 B11R0.77 C=CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000754431 [0,2,0,0,0,0|2,0,0]=4 8991 B11R0.77 C=CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000754431 [0,2,0,0,0,0|2,0,0]=4 8992 B11R0.107 C=CC(C)NCC(O)CC(=O)O 269956a_100011218706_100011215867 [0,2,0,0,0,0|2,0,0]=4 8993 B11R0.107 C=CC(O)CSC(C)OC(=O)C 62a_100000730141_100009818208 [0,2,0,0,0,0|2,0,0]=4 8994 B11R0.107 C=CC(O)CSC(C)OC(=O)C 62a_100009818208_100000730141 [0,2,0,0,0,0|2,0,0]=4 8995 B11R0.139 C=CCCCC(=O)C(C)C(=O)C 1458a_100000766728_100000179758 [0,2,0,0,0,0|0,0,1]=3 8996 B11R0.139 C=CCCCC(=O)C(C)C(=O)N 1458a_100000766728_100000702099 [0,2,0,0,0,0|1,0,1]=4 8997 B11R0.139 C=CCCCC(=O)C(F)C(=O)N 1458a_100000766728_100009813875 [0,2,0,0,0,0|1,0,1]=4 8998 B11R0.139 C=CCCCC(=O)C(F)C(=O)[O-] 1458a_100000766728_100020610796 [0,2,0,0,0,0|1,0,1]=4 8999 B11R0.139 C=CCCCN(C)C(C)C(=O)O 269956a_100000749554_100011713584 [0,2,0,0,0,0|2,0,0]=4 9000 B11R0.139 C=CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000754431 [0,2,0,0,0,0|2,0,0]=4 9001 B11R0.139 C=CCSCC(=O)C(C)C(=O)C 1458a_100000230395_100000179758 [0,2,0,0,0,0|1,0,1]=4 9002 B11R0.154 C=CCCCC(=O)CC(=O)CC 1458a_100000766728_100000747405 [0,2,0,0,0,0|0,0,1]=3 9003 B11R0.154 C=CCCCC(=O)CC(=O)NC 1458a_100000766728_100000183359 [0,2,0,0,0,0|0,0,1]=3 9004 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000211351_100000757094 [0,2,0,0,0,0|0,0,1]=3 9005 B11R0.154 C=CCCCC(=O)CC(=O)OC 1458a_100000766728_100000747449 [0,2,0,0,0,0|0,0,1]=3 9006 B11R0.154 C=CCCCN(C)CC(=O)NC 2230a_100000189611_100011713584 [0,2,0,0,0,0|1,0,0]=3 9007 B11R0.154 C=CCCCN(C)CC(=O)OC 2230a_100000198492_100011713584 [0,2,0,0,0,0|1,0,0]=3 9008 B11R0.154 C=CCCNC(=O)CC(=O)OC 240690a_100015191253_100000211351 [0,2,0,0,0,0|1,0,1]=4 9009 B11R0.154 C=CCCNC(C)CC(=O)OC 2230a_100015191253_100009817358 [0,2,0,0,0,0|1,0,0]=3 9010 B11R0.154 C=CCCOC(C)CC(=O)OC 34a_100011205117_100009817358 [0,2,0,0,0,0|1,0,0]=3 9011 B11R0.154 C=CCCSC(C)CC(=O)OC 62a_100000754431_100009817358 [0,2,0,0,0,0|1,0,0]=3 9012 B11R0.154 C=CCCSC(C)CC(=O)OC 62a_100009817358_100000754431 [0,2,0,0,0,0|1,0,0]=3 9013 B11R0.154 C=CCOC[C@H](O)CC(=O)OC 34a_200000210373_100000754131 [0,2,0,0,0,0|1,0,0]=3 9014 B11R0.154 C=CCSCC(=O)CC(=O)CC 1458a_100000230395_100000747405 [0,2,0,0,0,0|1,0,1]=4 9015 B11R0.154 C=CCSCC(=O)CC(=O)NC 1458a_100000230395_100000183359 [0,2,0,0,0,0|1,0,1]=4 9016 B11R0.154 C=CCSCC(=O)CC(=O)OC 1458a_100000230395_100000747449 [0,2,0,0,0,0|1,0,1]=4 9017 B11R0.154 C=CCSCC(=O)CC(=O)OC 62a_100000210525_100000210623 [0,2,0,0,0,0|1,0,1]=4 9018 B11R0.154 C=CCSCC(=O)CC(=O)OC 62a_100000210623_100000210525 [0,2,0,0,0,0|1,0,1]=4 9019 B11R0.154 C=CCSC[C@H](O)CC(=O)OC 62a_100000210623_100000754131 [0,2,0,0,0,0|1,0,0]=3 9020 B11R0.154 C=CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210623 [0,2,0,0,0,0|1,0,0]=3 9021 B11R0.154 C=COCCC(=O)CC(=O)OC 1458a_100000211351_100000039644 [0,2,0,0,0,0|1,0,1]=4 9022 B11R0.154 C=COCCN(C)CC(=O)NC 2230a_100000189611_100000039644 [0,2,0,0,0,0|2,0,0]=4 9023 B11R0.154 C=COCCN(C)CC(=O)OC 2230a_100000198492_100000039644 [0,2,0,0,0,0|2,0,0]=4 9024 B11R0.154 CNC(=O)CN(C)CCCC=O 2230a_100000189611_200011292268 [0,2,0,0,0,0|2,0,0]=4 9025 B11R0.154 COC(=O)CN(C)CCCC=O 2230a_100000198492_200011292268 [0,2,0,0,0,0|2,0,0]=4 9026 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_100000754131_200015260668 [0,2,0,0,0,0|2,0,0]=4 9027 B11R0.154 COC(=O)C[C@@H](O)CSCC=O 62a_200015260668_100000754131 [0,2,0,0,0,0|2,0,0]=4 9028 B11R0.165 C=CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000757094 [0,2,0,0,0,0|1,0,1]=4 9029 B11R0.324 C=CCCCS(=O)(=O)NC(=O)C 2740a_100000757093_100015343762 [0,2,0,0,0,0|2,0,0]=4 9030 B11R0.324 C=CCCNC(C)(C)CC(=O)N 2230a_100000763158_100000754431 [0,2,0,0,0,0|2,0,0]=4 9031 B11R0.324 C=CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000754431 [0,2,0,0,0,0|2,0,0]=4 9032 B11R0.324 C=CCCOC(C)(C)CC(=O)C 7a_100000210262_100000754431 [0,2,0,0,0,0|1,0,0]=3 9033 B11R0.31 C=C(Br)CCOCCS(=O)(=O)C 34a_100009813270_100000731031 [0,2,0,0,0,0|2,0,0]=4 9034 B11R0.31 C=C(C)CCNCCS(=O)(=O)C 2230a_100000740961_100000730704 [0,2,0,0,0,0|2,0,0]=4 9035 B11R0.31 C=C(C)CCNCCS(=O)(=O)C 34a_100000740961_100000730704 [0,2,0,0,0,0|2,0,0]=4 9036 B11R0.31 C=C(C)CCOCCS(=O)(=O)C 34a_100000211924_100000730704 [0,2,0,0,0,0|2,0,0]=4 9037 B11R0.31 C=C(C)CCOCCS(=O)(=O)C 34a_100000764851_100000731031 [0,2,0,0,0,0|2,0,0]=4 9038 B11R0.31 C=C(C)CCOCCS(=O)(=O)C 7a_100000211924_100000730704 [0,2,0,0,0,0|2,0,0]=4 9039 B11R0.31 C=C(C)CCSCCS(=O)(=O)C 62a_100000730704_100000230027 [0,2,0,0,0,0|2,0,0]=4 9040 B11R0.31 C=C(C)CCSCCS(=O)(=O)C 62a_100000731031_100000730704 [0,2,0,0,0,0|2,0,0]=4 9041 B11R0.31 C=C(C)CNCCCS(=O)(=O)C 2230a_100000742409_100000748629 [0,2,0,0,0,0|2,0,0]=4 9042 B11R0.31 C=C(C)CNCCCS(=O)(=O)C 34a_100000742409_100000748629 [0,2,0,0,0,0|2,0,0]=4 9043 B11R0.31 C=C(C)COCCCS(=O)(=O)C 34a_100000210245_100000754308 [0,2,0,0,0,0|2,0,0]=4 9044 B11R0.31 C=C(C)COCCCS(=O)(=O)C 34a_100000689940_100000748629 [0,2,0,0,0,0|2,0,0]=4 9045 B11R0.31 C=C(C)COCCCS(=O)(=O)C 7a_100000689940_100000748629 [0,2,0,0,0,0|2,0,0]=4 9046 B11R0.31 C=C(C)CSCCCS(=O)(=O)C 62a_100000748629_100000754308 [0,2,0,0,0,0|2,0,0]=4 9047 B11R0.31 C=C(C)CSCCCS(=O)(=O)C 62a_100000754308_100000211660 [0,2,0,0,0,0|2,0,0]=4 9048 B11R0.31 C=C(F)CNCCCS(=O)(=O)C 2230a_100000742409_100009893438 [0,2,0,0,0,0|2,0,0]=4 9049 B11R0.31 C=C(F)CNCCCS(=O)(=O)C 34a_100000742409_100009893438 [0,2,0,0,0,0|2,0,0]=4 9050 B11R0.31 C=C(F)COCCCS(=O)(=O)C 34a_100000689940_100009893438 [0,2,0,0,0,0|2,0,0]=4 9051 B11R0.31 C=C(F)COCCCS(=O)(=O)C 34a_200010262243_100000754308 [0,2,0,0,0,0|2,0,0]=4 9052 B11R0.31 C=C(F)COCCCS(=O)(=O)C 7a_100000689940_100000042424 [0,2,0,0,0,0|2,0,0]=4 9053 B11R0.31 C=C(F)CSCCCS(=O)(=O)C 62a_100000042424_100000754308 [0,2,0,0,0,0|2,0,0]=4 9054 B11R0.31 C=C(F)CSCCCS(=O)(=O)C 62a_100000754308_100000042424 [0,2,0,0,0,0|2,0,0]=4 9055 B11R0.31 CC(=O)CCCCCC(C)(C)C 1458a_100012017116_200000210301 [0,2,0,0,0,0|0,0,2]=4 9056 B11R0.31 CC(=O)CCCCCC(F)(F)F 1458a_100000070787_100010187589 [0,2,0,0,0,0|1,0,1]=4 9057 B11R0.31 CC(=O)CCCCC[N+](C)(C)C 1458a_100000070787_100009813293 [0,2,0,0,0,0|1,0,1]=4 9058 B11R0.31 CC(C)(C)CCCCCC(=O)[13CH3] 1458a_100012017116_200025704644 [0,2,0,0,0,0|0,0,2]=4 9059 B11R0.49 C=CCCCCNS(=O)(=O)CC 270084a_100000703577_100000211323 [0,2,0,0,0,0|2,0,0]=4 9060 B11R0.49 C=CCCCCNS(=O)(=O)CC 274078a_100000703577_100000211323 [0,2,0,0,0,0|2,0,0]=4 9061 B11R0.49 C=CCCCCNS(=O)(=O)CC 40a_100000703577_100000053943 [0,2,0,0,0,0|2,0,0]=4 9062 B11R0.49 C=CCCCCNS(=O)(=O)CCl 270084a_100000703577_100000031410 [0,2,0,0,0,0|2,0,0]=4 9063 B11R0.49 C=CCCCCNS(=O)(=O)CCl 274078a_100000703577_100000031410 [0,2,0,0,0,0|2,0,0]=4 9064 B11R0.49 C=CCCNCCS(=O)(=O)CC 2230a_100000751051_100000754431 [0,2,0,0,0,0|2,0,0]=4 9065 B11R0.49 C=CCCNCCS(=O)(=O)CC 2230a_100015191253_100000756660 [0,2,0,0,0,0|2,0,0]=4 9066 B11R0.49 C=CCCNCCS(=O)(=O)CC 34a_100000751051_100000754431 [0,2,0,0,0,0|2,0,0]=4 9067 B11R0.49 C=CCCNCCS(=O)(=O)NC 2230a_100000710037_100000754431 [0,2,0,0,0,0|2,0,0]=4 9068 B11R0.49 C=CCCNCCS(=O)(=O)NC 34a_100000710037_100000754431 [0,2,0,0,0,0|2,0,0]=4 9069 B11R0.49 C=CCCOCCS(=O)(=O)CC 34a_100011205117_100000756660 [0,2,0,0,0,0|2,0,0]=4 9070 B11R0.49 C=CCCOCCS(=O)(=O)CC 34a_200011216379_100000754431 [0,2,0,0,0,0|2,0,0]=4 9071 B11R0.49 C=CCCOCCS(=O)(=O)CC 7a_200011216379_100000754431 [0,2,0,0,0,0|2,0,0]=4 9072 B11R0.49 C=CCCSCCS(=O)(=O)CC 62a_100000754431_100000756660 [0,2,0,0,0,0|2,0,0]=4 9073 B11R0.49 C=CCCSCCS(=O)(=O)CC 62a_100000756660_100000754431 [0,2,0,0,0,0|2,0,0]=4 9074 B11R0.82 C=CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000754431 [0,2,0,0,0,0|1,0,1]=4 9075 B11R0.82 C=CCCC(=O)CCS(=O)(=O)C 1458a_100000749702_100000731031 [0,2,0,0,0,0|1,0,1]=4 9076 B11R0.82 C=CCCN(C)CCS(=O)(=O)C 2230a_100000750128_100000754431 [0,2,0,0,0,0|2,0,0]=4 9077 B11R0.82 C=CCCN(C)CCS(=O)(=O)C 2230a_100020639649_100000731031 [0,2,0,0,0,0|2,0,0]=4 9078 B11R0.82 C=CCCN(C)CCS(=O)(=O)C 269982a_100000750128_100000754431 [0,2,0,0,0,0|2,0,0]=4 9079 B11R0.82 C=CCCN(C)CCS(=O)(=O)C 269982a_100020639649_100000731031 [0,2,0,0,0,0|2,0,0]=4 9080 B11R0.82 C=CCCN(C)CCS(=O)(=O)C 34a_100000750128_100000754431 [0,2,0,0,0,0|2,0,0]=4 9081 B11R0.114 C=CC(C)COCCS(=O)(=O)C 34a_100011215527_100000731031 [0,2,0,0,0,0|2,0,0]=4 9082 B11R0.114 C=CC(C)COCCS(=O)(=O)C 7a_100011215527_100000230027 [0,2,0,0,0,0|2,0,0]=4 9083 B11R0.114 C=CC(C)OCCCS(=O)(=O)C 34a_100000695699_100000754308 [0,2,0,0,0,0|2,0,0]=4 9084 B11R0.114 C=CC(C)SCCCS(=O)(=O)C 62a_100011215867_100000754308 [0,2,0,0,0,0|2,0,0]=4 9085 B11R0.114 C=CC(O)CNCCS(=O)(=O)C 2230a_100000740961_100000730141 [0,2,0,0,0,0|2,0,0]=4 9086 B11R0.114 C=CC(O)CNCCS(=O)(=O)C 34a_100000740961_100000730141 [0,2,0,0,0,0|2,0,0]=4 9087 B11R0.114 C=CC(O)COCCS(=O)(=O)C 34a_100000211924_100000730141 [0,2,0,0,0,0|2,0,0]=4 9088 B11R0.114 C=CC(O)COCCS(=O)(=O)C 7a_100000211924_100000730141 [0,2,0,0,0,0|2,0,0]=4 9089 B11R0.114 C=CC(O)CSCCS(=O)(=O)C 62a_100000730141_100000230027 [0,2,0,0,0,0|2,0,0]=4 9090 B11R0.114 C=CC(O)CSCCS(=O)(=O)C 62a_100000731031_100000730141 [0,2,0,0,0,0|2,0,0]=4 9091 B11R0.114 C=C[C@H](N)COCCS(=O)(=O)C 34a_100016989147_100000731031 [0,2,0,0,0,0|2,0,0]=4 9092 B11R0.151 C=CCCCCN(C)S(=O)(=O)C 40a_100012000471_100000738038 [0,2,0,0,0,0|2,0,0]=4 9093 B11R0.22 C=CC(C=C)OCCCC(=O)C 34a_100000033096_100000685027 [0,2,0,0,0,0|1,0,0]=3 9094 B11R0.22 C=CC(C=C)OCCCC(=O)N 34a_100000033096_100102525003 [0,2,0,0,0,0|2,0,0]=4 9095 B11R0.22 C=CC(C=C)OCCOC(=O)C 34a_100000033096_100009814007 [0,2,0,0,0,0|2,0,0]=4 9096 B11R0.22 C=CC(CC)OCCCC(=O)C 34a_100000766422_100000685027 [0,2,0,0,0,0|1,0,0]=3 9097 B11R0.22 C=CC(CC)OCCCC(=O)C 7a_100000766422_100011215641 [0,2,0,0,0,0|1,0,0]=3 9098 B11R0.22 C=CC(CC)OCCCC(=O)N 34a_100000766422_100102525003 [0,2,0,0,0,0|2,0,0]=4 9099 B11R0.22 C=CC(CC)OCCCC(=O)N 7a_100000766422_100102525003 [0,2,0,0,0,0|2,0,0]=4 9100 B11R0.22 C=CC(CC)OCCNC(=O)C 7a_100000766422_100000189650 [0,2,0,0,0,0|2,0,0]=4 9101 B11R0.22 C=CC(CC)OCCOC(=O)C 34a_100000766422_100009814007 [0,2,0,0,0,0|2,0,0]=4 9102 B11R0.22 C=CC(CC)OCCOC(=O)C 7a_100000766422_100009814007 [0,2,0,0,0,0|2,0,0]=4 9103 B11R0.22 C=C[C@@H](CO)NCCCC(=O)C 34a_100016989147_100000685027 [0,2,0,0,0,0|1,0,0]=3 9104 B11R0.22 C=C[C@@H](CO)NCCCC(=O)N 34a_100016989147_100102525003 [0,2,0,0,0,0|2,0,0]=4 9105 B11R0.22 C=C[C@@H](CO)NCCNC(=O)C 2230a_100016989147_100000189650 [0,2,0,0,0,0|2,0,0]=4 9106 B11R0.22 C=C[C@@H](CO)NCCOC(=O)C 34a_100016989147_100009814007 [0,2,0,0,0,0|2,0,0]=4 9107 B11R0.22 CC(=O)CCCOC(C=O)C=O 34a_100000759063_100000736813 [0,2,0,0,0,0|2,0,0]=4 9108 B11R0.22 CC(=O)CCCSC(C=O)C=O 62a_100000736813_100011215641 [0,2,0,0,0,0|2,0,0]=4 9109 B11R0.22 CC(=O)CCCSC(C=O)C=O 62a_100011215641_100000736813 [0,2,0,0,0,0|2,0,0]=4 9110 B11R0.29 C=C(Br)CCOCC(=O)C(=O)C 34a_100009813270_100011261029 [0,2,0,0,0,0|1,0,1]=4 9111 B11R0.29 C=C(C)C(=O)CCCCC(=O)C 1458a_100000185857_100000735457 [0,2,0,0,0,0|0,0,1]=3 9112 B11R0.29 C=C(C)C(=O)CCCOC(=O)C 1458a_100000185857_100000042594 [0,2,0,0,0,0|1,0,1]=4 9113 B11R0.29 C=C(C)C(=O)CCCSC(=O)C 1458a_100000185857_100000038929 [0,2,0,0,0,0|1,0,1]=4 9114 B11R0.29 C=C(C)C(C)NCCCC(=O)N 269862a_100000739312_100011216138 [0,2,0,0,0,0|2,0,0]=4 9115 B11R0.29 C=C(C)C(C)NCCNC(=O)C 269862a_100000209853_100011216138 [0,2,0,0,0,0|2,0,0]=4 9116 B11R0.29 C=C(C)C(C)NCCSC(=O)C 269862a_100020647217_100011216138 [0,2,0,0,0,0|2,0,0]=4 9117 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,2,0,0,0,0|2,0,0]=4 9118 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,2,0,0,0,0|2,0,0]=4 9119 B11R0.29 C=C(C)CCOCC(=O)C(=O)C 34a_100000764851_100011261029 [0,2,0,0,0,0|1,0,1]=4 9120 B11R0.29 C=C(C)CCOCC(C)C(=O)C 34a_100000032740_100000730704 [0,2,0,0,0,0|1,0,0]=3 9121 B11R0.29 C=C(C)CCOCC(C)C(=O)C 7a_100000032740_100000730704 [0,2,0,0,0,0|1,0,0]=3 9122 B11R0.29 C=C(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000730704 [0,2,0,0,0,0|2,0,0]=4 9123 B11R0.29 C=C(C)CCSCC(=O)C(=O)C 62a_100000730704_100011261029 [0,2,0,0,0,0|1,0,1]=4 9124 B11R0.29 C=C(C)CCSCC(=O)C(=O)C 62a_100011261029_100000730704 [0,2,0,0,0,0|1,0,1]=4 9125 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,2,0,0,0,0|2,0,0]=4 9126 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,2,0,0,0,0|2,0,0]=4 9127 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [0,2,0,0,0,0|2,0,0]=4 9128 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [0,2,0,0,0,0|2,0,0]=4 9129 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [0,2,0,0,0,0|2,0,0]=4 9130 B11R0.29 CC(=O)CCCCC(=C(F)F)F 1458a_100000070787_200009813713 [0,2,0,0,0,0|1,0,1]=4 9131 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,2,0,0,0,0|2,0,0]=4 9132 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [0,2,0,0,0,0|2,0,0]=4 9133 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,2,0,0,0,0|1,0,1]=4 9134 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,2,0,0,0,0|1,0,1]=4 9135 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [0,2,0,0,0,0|2,0,0]=4 9136 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [0,2,0,0,0,0|2,0,0]=4 9137 B11R0.29 CC(=O)CCCOC(F)C(=O)N 34a_100000759063_100009813875 [0,2,0,0,0,0|2,0,0]=4 9138 B11R0.29 CC(=O)CCCOC(F)C(=O)N 7a_100000759063_100009813875 [0,2,0,0,0,0|2,0,0]=4 9139 B11R0.29 CC(=O)CCCOC(F)C(=O)[O-] 34a_100000759063_100020610796 [0,2,0,0,0,0|2,0,0]=4 9140 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [0,2,0,0,0,0|2,0,0]=4 9141 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [0,2,0,0,0,0|2,0,0]=4 9142 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [0,2,0,0,0,0|2,0,0]=4 9143 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,2,0,0,0,0|1,0,1]=4 9144 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,2,0,0,0,0|1,0,1]=4 9145 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [0,2,0,0,0,0|2,0,0]=4 9146 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [0,2,0,0,0,0|2,0,0]=4 9147 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100009813875_100011215641 [0,2,0,0,0,0|2,0,0]=4 9148 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100011215641_100009813875 [0,2,0,0,0,0|2,0,0]=4 9149 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100011215641_100020610796 [0,2,0,0,0,0|2,0,0]=4 9150 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100011215641 [0,2,0,0,0,0|2,0,0]=4 9151 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,2,0,0,0,0|2,0,0]=4 9152 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,2,0,0,0,0|2,0,0]=4 9153 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,2,0,0,0,0|1,0,1]=4 9154 B11R0.93 C=CC(=O)CC(C)CSC(=O)C 1458a_100000185746_200000116872 [0,2,0,0,0,0|1,0,1]=4 9155 B11R0.93 C=CC(C)CC(=O)CCC(=C)C 1458a_100011934298_100000730704 [0,2,0,0,0,0|1,0,1]=4 9156 B11R0.93 C=CC(O)CN(C)CCC(=O)N 2230a_100000730477_100000730141 [0,2,0,0,0,0|2,0,0]=4 9157 B11R0.106 C=CC(=O)CCCCC(=O)OC 1458a_100000185746_100000204269 [0,2,0,0,0,0|0,0,1]=3 9158 B11R0.106 C=CC(=O)CCOCC(=O)OC 1458a_100000185746_100000090808 [0,2,0,0,0,0|1,0,1]=4 9159 B11R0.106 C=CC(=O)NCCCC(=O)NC 240690a_100000740002_200121576911 [0,2,0,0,0,0|1,0,1]=4 9160 B11R0.106 C=CC(C)COCCC(=O)NC 34a_100011215527_100012179268 [0,2,0,0,0,0|1,0,0]=3 9161 B11R0.106 C=CC(C)COCCC(=O)NC 7a_100011215527_100000737683 [0,2,0,0,0,0|1,0,0]=3 9162 B11R0.106 C=CC(C)COCCC(=O)OC 34a_100011215527_100000742370 [0,2,0,0,0,0|1,0,0]=3 9163 B11R0.106 C=CC(C)COCCC(=O)OC 7a_100011215527_100000204255 [0,2,0,0,0,0|1,0,0]=3 9164 B11R0.106 C=CC(C)OCCCC(=O)NC 34a_100000695699_100000741757 [0,2,0,0,0,0|1,0,0]=3 9165 B11R0.106 C=CC(C)OCCCC(=O)OC 34a_100000695699_100000742333 [0,2,0,0,0,0|1,0,0]=3 9166 B11R0.106 C=CC(C)OCCOC(=O)NC 34a_100000695699_200011997002 [0,2,0,0,0,0|2,0,0]=4 9167 B11R0.106 C=CC(C)SCCCC(=O)NC 62a_100011215867_100000741757 [0,2,0,0,0,0|1,0,0]=3 9168 B11R0.106 C=CC(C)SCCCC(=O)OC 62a_100011215867_100011218270 [0,2,0,0,0,0|1,0,0]=3 9169 B11R0.106 C=CC(C)SCCOC(=O)NC 62a_100011215867_200011997002 [0,2,0,0,0,0|2,0,0]=4 9170 B11R0.106 C=CC(O)CNCCC(=O)NC 2230a_100000738227_100000730141 [0,2,0,0,0,0|1,0,0]=3 9171 B11R0.106 C=CC(O)CNCCC(=O)NC 34a_100000738227_100000730141 [0,2,0,0,0,0|1,0,0]=3 9172 B11R0.106 C=CC(O)COCCC(=O)NC 34a_100000754576_100000730141 [0,2,0,0,0,0|1,0,0]=3 9173 B11R0.106 C=CC(O)CSCCC(=O)NC 62a_100000730141_100000737683 [0,2,0,0,0,0|1,0,0]=3 9174 B11R0.106 C=CC(O)CSCCC(=O)NC 62a_100000737683_100000730141 [0,2,0,0,0,0|1,0,0]=3 9175 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000204255_100000730141 [0,2,0,0,0,0|1,0,0]=3 9176 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000730141_100000204255 [0,2,0,0,0,0|1,0,0]=3 9177 B11R0.106 C=CC(O)CSCOC(=O)OC 62a_100000730141_100000139417 [0,2,0,0,0,0|2,0,0]=4 9178 B11R0.106 C=C[C@H](N)COCCC(=O)NC 34a_100016989147_100012179268 [0,2,0,0,0,0|1,0,0]=3 9179 B11R0.106 C=C[C@H](N)COCCC(=O)OC 34a_100016989147_100000742370 [0,2,0,0,0,0|1,0,0]=3 9180 B11R0.109 C=CC(C)COCC(=O)C(=O)C 34a_100011215527_100011261029 [0,2,0,0,0,0|1,0,1]=4 9181 B11R0.109 C=CC(O)CNCC(C)C(=O)O 269956a_100000749485_100000730141 [0,2,0,0,0,0|2,0,0]=4 9182 B11R0.109 C=CC(O)CNCC(F)C(=O)O 269956a_100000084737_100000730141 [0,2,0,0,0,0|2,0,0]=4 9183 B11R0.109 C=CC(O)COCC(C)C(=O)C 34a_100000032740_100000730141 [0,2,0,0,0,0|1,0,0]=3 9184 B11R0.109 C=CC(O)COCC(C)C(=O)C 7a_100000032740_100000730141 [0,2,0,0,0,0|1,0,0]=3 9185 B11R0.109 C=CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100000730141 [0,2,0,0,0,0|2,0,0]=4 9186 B11R0.109 C=CC(O)CSCC(=O)C(=O)C 62a_100000730141_100011261029 [0,2,0,0,0,0|1,0,1]=4 9187 B11R0.109 C=CC(O)CSCC(=O)C(=O)C 62a_100011261029_100000730141 [0,2,0,0,0,0|1,0,1]=4 9188 B11R0.109 C=C[C@H](N)COCC(=O)C(=O)C 34a_100016989147_100011261029 [0,2,0,0,0,0|1,0,1]=4 9189 B11R0.127 C=CC(C)(C)OCCCC(=O)C 34a_100011215311_100000685027 [0,2,0,0,0,0|1,0,0]=3 9190 B11R0.127 C=CC(C)(C)OCCCC(=O)C 7a_100011215311_100011215641 [0,2,0,0,0,0|1,0,0]=3 9191 B11R0.127 C=CC(C)(C)OCCCC(=O)N 34a_100011215311_100102525003 [0,2,0,0,0,0|2,0,0]=4 9192 B11R0.127 C=CC(C)(C)OCCCC(=O)N 7a_100011215311_100102525003 [0,2,0,0,0,0|2,0,0]=4 9193 B11R0.127 C=CC(C)(C)OCCNC(=O)C 7a_100011215311_100000189650 [0,2,0,0,0,0|2,0,0]=4 9194 B11R0.127 C=CC(C)(C)OCCOC(=O)C 34a_100011215311_100009814007 [0,2,0,0,0,0|2,0,0]=4 9195 B11R0.127 C=CC(C)(C)OCCOC(=O)C 7a_100011215311_100009814007 [0,2,0,0,0,0|2,0,0]=4 9196 B11R0.127 C=CC(F)(F)SCCCC(=O)C 62a_100009814244_100011215641 [0,2,0,0,0,0|1,0,0]=3 9197 B11R0.127 C=CC(F)(F)SCCCC(=O)C 62a_100011215641_100009814244 [0,2,0,0,0,0|1,0,0]=3 9198 B11R0.127 C=CC(F)(F)SCCCC(=O)N 62a_100009814244_100102525003 [0,2,0,0,0,0|2,0,0]=4 9199 B11R0.127 C=CC(F)(F)SCCCC(=O)N 62a_100102525003_100009814244 [0,2,0,0,0,0|2,0,0]=4 9200 B11R0.127 C=CC(F)(F)SCCNC(=O)C 62a_100000189650_100009814244 [0,2,0,0,0,0|2,0,0]=4 9201 B11R0.127 C=CC(F)(F)SCCNC(=O)C 62a_100009814244_100000189650 [0,2,0,0,0,0|2,0,0]=4 9202 B11R0.127 C=CC(F)(F)SCCOC(=O)C 62a_100009814007_100009814244 [0,2,0,0,0,0|2,0,0]=4 9203 B11R0.127 C=CC(F)(F)SCCOC(=O)C 62a_100009814244_100009814007 [0,2,0,0,0,0|2,0,0]=4 9204 B11R0.127 C=C[Si](C)(C)CSCCC(=O)C 62a_100000038793_100000053229 [0,2,0,0,0,0|1,1,0]=4 9205 B11R0.127 C=C[Si](C)(C)CSCCC(=O)C 62a_100000053229_100000038793 [0,2,0,0,0,0|1,1,0]=4 9206 B11R0.4 C#CCC(=O)CCCCCC#N 1458a_100011220946_100009813376 [0,2,0,0,0,0|1,0,1]=4 9207 B11R0.4 C#CCC(=O)CCCCCC=C 1458a_100011220946_100000700193 [0,2,0,0,0,0|0,0,0]=2 9208 B11R0.4 C#CCC(=O)CCCCCC=C 1458a_100011934241_100000184674 [0,2,0,0,0,0|0,0,0]=2 9209 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,2,0,0,0,0|0,0,2]=4 9210 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,2,0,0,0,0|0,0,2]=4 9211 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,2,0,0,0,0|1,0,1]=4 9212 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,2,0,0,0,0|1,0,1]=4 9213 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,2,0,0,0,0|1,0,1]=4 9214 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,2,0,0,0,0|1,0,1]=4 9215 B11R0.4 C#CCC(=O)NCCCCC=C 1626a_100000703577_100011220946 [0,2,0,0,0,0|1,0,0]=3 9216 B11R0.4 C#CCC(=O)NCCCCC=C 527a_100000703577_100011220946 [0,2,0,0,0,0|1,0,0]=3 9217 B11R0.4 C#CCC(=O)NCCCOC=C 1626a_100000210767_100011220946 [0,2,0,0,0,0|2,0,0]=4 9218 B11R0.4 C#CCC(=O)NCCCOC=C 527a_100000210767_100011220946 [0,2,0,0,0,0|2,0,0]=4 9219 B11R0.4 C#CCCCCCC(=O)C#CC 1458a_100000763181_100012094781 [0,2,0,0,0,0|0,0,2]=4 9220 B11R0.4 C#CCCCCCC(=O)C=CC 1458a_100000210699_100012094781 [0,2,0,0,0,0|0,0,2]=4 9221 B11R0.4 C#CCCCCCC(=O)CC#C 1458a_100000694772_100000184674 [0,2,0,0,0,0|0,0,2]=4 9222 B11R0.4 C#CCCCCCC(=O)CC#C 1458a_100011220946_100012094781 [0,2,0,0,0,0|0,0,2]=4 9223 B11R0.4 C#CCCCCCC(=O)CC#N 1458a_100000694772_100011214920 [0,2,0,0,0,0|0,0,2]=4 9224 B11R0.4 C#CCCCCCC(=O)CC#N 1458a_100051588842_100012094781 [0,2,0,0,0,0|0,0,2]=4 9225 B11R0.4 C#CCCCCCC(=O)CC=C 1458a_100000210193_100012094781 [0,2,0,0,0,0|0,0,2]=4 9226 B11R0.4 C#CCCCCCC(=O)CC=C 1458a_100000694772_100000210623 [0,2,0,0,0,0|0,0,2]=4 9227 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,2,0,0,0,0|0,0,2]=4 9228 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,2,0,0,0,0|0,0,2]=4 9229 B11R0.4 C#CCCCCCC(=O)CCF 1458a_100000694772_100011217306 [0,2,0,0,0,0|0,0,2]=4 9230 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,2,0,0,0,0|0,0,2]=4 9231 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,2,0,0,0,0|0,0,2]=4 9232 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,2,0,0,0,0|0,0,2]=4 9233 B11R0.4 C#CCCCCCC(=O)CSC 1458a_100000184570_100012094781 [0,2,0,0,0,0|0,0,2]=4 9234 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,2,0,0,0,0|0,0,2]=4 9235 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,2,0,0,0,0|0,0,2]=4 9236 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,2,0,0,0,0|0,0,2]=4 9237 B11R0.4 C#CCCCCCC(=O)NNC 22a_100016993582_100000694772 [0,2,0,0,0,0|0,0,2]=4 9238 B11R0.4 C#CCN(C)CCCCCC=C 2230a_100000225692_100000700193 [0,2,0,0,0,0|2,0,0]=4 9239 B11R0.4 C#CCN(C)CCCCCC=C 34a_100000225692_100000700193 [0,2,0,0,0,0|2,0,0]=4 9240 B11R0.4 C=CCC(=O)CCCCCC#N 1458a_100000210193_100009813376 [0,2,0,0,0,0|1,0,1]=4 9241 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,2,0,0,0,0|0,0,2]=4 9242 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,2,0,0,0,0|0,0,2]=4 9243 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,2,0,0,0,0|1,0,1]=4 9244 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,2,0,0,0,0|1,0,1]=4 9245 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,2,0,0,0,0|1,0,1]=4 9246 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,2,0,0,0,0|1,0,1]=4 9247 B11R0.4 C=CCC(=O)NCCCOC=C 11a_100000210767_100000210193 [0,2,0,0,0,0|2,0,0]=4 9248 B11R0.4 C=CCC(=O)NCCCOC=C 1626a_100000210767_100000210193 [0,2,0,0,0,0|2,0,0]=4 9249 B11R0.4 C=CCC(=O)NCCCOC=C 240690a_100000210767_100000210193 [0,2,0,0,0,0|2,0,0]=4 9250 B11R0.4 C=CCC(=O)NCCCOC=C 527a_100000210767_100000210193 [0,2,0,0,0,0|2,0,0]=4 9251 B11R0.4 C=CCCCCCC(=O)C#CC 1458a_100000763181_100000700193 [0,2,0,0,0,0|0,0,0]=2 9252 B11R0.4 C=CCCCCCC(=O)C=CBr 1458a_100016273825_100000700193 [0,2,0,0,0,0|0,0,1]=3 9253 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,2,0,0,0,0|0,0,0]=2 9254 B11R0.4 C=CCCCCCC(=O)C=CCl 1458a_200016279998_100000700193 [0,2,0,0,0,0|0,0,1]=3 9255 B11R0.4 C=CCCCCCC(=O)C=CI 1458a_100016256311_100000700193 [0,2,0,0,0,0|0,0,1]=3 9256 B11R0.4 C=CCCCCCC(=O)CC#N 1458a_100011934241_100011214920 [0,2,0,0,0,0|0,0,0]=2 9257 B11R0.4 C=CCCCCCC(=O)CC#N 1458a_100051588842_100000700193 [0,2,0,0,0,0|0,0,0]=2 9258 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100000210193_100000700193 [0,2,0,0,0,0|0,0,0]=2 9259 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100011934241_100000210623 [0,2,0,0,0,0|0,0,0]=2 9260 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|0,0,0]=2 9261 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|0,0,0]=2 9262 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,2,0,0,0,0|0,0,0]=2 9263 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|0,0,0]=2 9264 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|0,0,0]=2 9265 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,2,0,0,0,0|0,0,0]=2 9266 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,2,0,0,0,0|0,0,0]=2 9267 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,2,0,0,0,0|0,0,0]=2 9268 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,2,0,0,0,0|0,0,0]=2 9269 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,2,0,0,0,0|0,0,0]=2 9270 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,2,0,0,0,0|0,0,0]=2 9271 B11R0.4 C=CCCCCCN(C)CC#N 2230a_100000748184_100000700193 [0,2,0,0,0,0|2,0,0]=4 9272 B11R0.4 C=CCCCCCN(C)CC=C 2230a_100000225617_100000700193 [0,2,0,0,0,0|2,0,0]=4 9273 B11R0.4 C=CCCCCCN(C)CC=C 269982a_100000225617_100000700193 [0,2,0,0,0,0|2,0,0]=4 9274 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [0,2,0,0,0,0|2,0,0]=4 9275 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [0,2,0,0,0,0|2,0,0]=4 9276 B11R0.4 C=CCCCCCN(C)CCO 2230a_100000210263_100000700193 [0,2,0,0,0,0|1,0,1]=4 9277 B11R0.4 C=CCCCCCN(C)CCO 269982a_100000210263_100000700193 [0,2,0,0,0,0|1,0,1]=4 9278 B11R0.4 C=CCCCCNC(=O)C=CBr 1626a_100000703577_100016273825 [0,2,0,0,0,0|1,0,1]=4 9279 B11R0.4 C=CCCCCNC(=O)C=CBr 240690a_100000703577_100016273825 [0,2,0,0,0,0|1,0,1]=4 9280 B11R0.4 C=CCCCCNC(=O)C=CC 11a_100000703577_100000210699 [0,2,0,0,0,0|1,0,0]=3 9281 B11R0.4 C=CCCCCNC(=O)C=CC 1626a_100000703577_100000210699 [0,2,0,0,0,0|1,0,0]=3 9282 B11R0.4 C=CCCCCNC(=O)C=CC 240690a_100000703577_100000210699 [0,2,0,0,0,0|1,0,0]=3 9283 B11R0.4 C=CCCCCNC(=O)C=CCl 11a_100000703577_200016279998 [0,2,0,0,0,0|1,0,1]=4 9284 B11R0.4 C=CCCCCNC(=O)C=CCl 1626a_100000703577_200016279998 [0,2,0,0,0,0|1,0,1]=4 9285 B11R0.4 C=CCCCCNC(=O)C=CCl 240690a_100000703577_200016279998 [0,2,0,0,0,0|1,0,1]=4 9286 B11R0.4 C=CCCCCNC(=O)C=CI 1626a_100000703577_100016256311 [0,2,0,0,0,0|1,0,1]=4 9287 B11R0.4 C=CCCCCNC(=O)CC#N 1626a_100000703577_100051588842 [0,2,0,0,0,0|1,0,0]=3 9288 B11R0.4 C=CCCCCNC(=O)CC#N 240690a_100000703577_100051588842 [0,2,0,0,0,0|1,0,0]=3 9289 B11R0.4 C=CCCCCNC(=O)CC=C 11a_100000703577_100000210193 [0,2,0,0,0,0|1,0,0]=3 9290 B11R0.4 C=CCCCCNC(=O)CC=C 1626a_100000703577_100000210193 [0,2,0,0,0,0|1,0,0]=3 9291 B11R0.4 C=CCCCCNC(=O)CC=C 240690a_100000703577_100000210193 [0,2,0,0,0,0|1,0,0]=3 9292 B11R0.4 C=CCCCCNC(=O)CC=C 527a_100000703577_100000210193 [0,2,0,0,0,0|1,0,0]=3 9293 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,2,0,0,0,0|1,0,0]=3 9294 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,2,0,0,0,0|1,0,0]=3 9295 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,2,0,0,0,0|1,0,0]=3 9296 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,2,0,0,0,0|1,0,0]=3 9297 B11R0.4 C=CCCCCNC(=O)CCO 240690a_100000703577_100011216618 [0,2,0,0,0,0|1,0,0]=3 9298 B11R0.4 C=CCCCCNC(=O)COC 11a_100000703577_100000210968 [0,2,0,0,0,0|1,0,0]=3 9299 B11R0.4 C=CCCCCNC(=O)COC 1626a_100000703577_100000210968 [0,2,0,0,0,0|1,0,0]=3 9300 B11R0.4 C=CCCCCNC(=O)COC 240690a_100000703577_100000210968 [0,2,0,0,0,0|1,0,0]=3 9301 B11R0.4 C=CCCCCNC(=O)COC 527a_100000703577_100000210968 [0,2,0,0,0,0|1,0,0]=3 9302 B11R0.4 C=CCCCCNC(=O)CSC 11a_100000703577_100000184570 [0,2,0,0,0,0|1,0,0]=3 9303 B11R0.4 C=CCCCCNC(=O)CSC 1626a_100000703577_100000184570 [0,2,0,0,0,0|1,0,0]=3 9304 B11R0.4 C=CCCCCNC(=O)CSC 240690a_100000703577_100000184570 [0,2,0,0,0,0|1,0,0]=3 9305 B11R0.4 C=CCCCCNC(=O)CSC 527a_100000703577_100000184570 [0,2,0,0,0,0|1,0,0]=3 9306 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,2,0,0,0,0|1,0,0]=3 9307 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,2,0,0,0,0|1,0,0]=3 9308 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,2,0,0,0,0|1,0,0]=3 9309 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,2,0,0,0,0|1,0,0]=3 9310 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,2,0,0,0,0|1,0,0]=3 9311 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,2,0,0,0,0|1,0,0]=3 9312 B11R0.4 C=CCCCCNC(=O)NNC 273464a_100000703577_100016993582 [0,2,0,0,0,0|1,0,0]=3 9313 B11R0.4 C=CCCCCNC(=O)NNC 512a_100000703577_100016993582 [0,2,0,0,0,0|1,0,0]=3 9314 B11R0.4 C=CCCCCNC(=O)NNC 512a_100016993582_100000703577 [0,2,0,0,0,0|1,0,0]=3 9315 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,2,0,0,0,0|1,0,0]=3 9316 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100000700776_100000183381 [0,2,0,0,0,0|1,0,0]=3 9317 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100016988866_100011713584 [0,2,0,0,0,0|1,0,0]=3 9318 B11R0.4 C=CCCCNCC(=O)NCC 34a_100000700776_100000183381 [0,2,0,0,0,0|1,0,0]=3 9319 B11R0.4 C=CCCCNCC(=O)NCO 2230a_100000700776_100000185155 [0,2,0,0,0,0|1,0,0]=3 9320 B11R0.4 C=CCCCNCC(=O)NCO 34a_100000700776_100000185155 [0,2,0,0,0,0|1,0,0]=3 9321 B11R0.4 C=CCCCNCC(=O)OC=C 2230a_100000700776_100000036128 [0,2,0,0,0,0|1,0,1]=4 9322 B11R0.4 C=CCCCNCC(=O)OC=C 34a_100000700776_100000036128 [0,2,0,0,0,0|1,0,1]=4 9323 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,2,0,0,0,0|1,0,0]=3 9324 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,2,0,0,0,0|1,0,0]=3 9325 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,2,0,0,0,0|1,0,0]=3 9326 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,2,0,0,0,0|1,0,0]=3 9327 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,2,0,0,0,0|1,0,0]=3 9328 B11R0.4 C=CCCCOCC(=O)NCO 34a_100000758997_100000185155 [0,2,0,0,0,0|1,0,0]=3 9329 B11R0.4 C=CCCCOCC(=O)NCO 7a_100000758997_100000185155 [0,2,0,0,0,0|1,0,0]=3 9330 B11R0.4 C=CCCCOCC(=O)OC=C 34a_100000758997_100000036128 [0,2,0,0,0,0|1,0,1]=4 9331 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,2,0,0,0,0|1,0,0]=3 9332 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,2,0,0,0,0|1,0,0]=3 9333 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,2,0,0,0,0|1,0,0]=3 9334 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,2,0,0,0,0|1,0,0]=3 9335 B11R0.4 C=CCCCSCC(=O)NCC 62a_100000183381_100000757094 [0,2,0,0,0,0|1,0,0]=3 9336 B11R0.4 C=CCCCSCC(=O)NCC 62a_100011713584_100000183381 [0,2,0,0,0,0|1,0,0]=3 9337 B11R0.4 C=CCCCSCC(=O)NCO 62a_100000185155_100000757094 [0,2,0,0,0,0|1,0,0]=3 9338 B11R0.4 C=CCCCSCC(=O)NCO 62a_100011713584_100000185155 [0,2,0,0,0,0|1,0,0]=3 9339 B11R0.4 C=CCCCSCC(=O)OC=C 62a_100000036128_100000757094 [0,2,0,0,0,0|1,0,1]=4 9340 B11R0.4 C=CCCCSCC(=O)OC=C 62a_100011713584_100000036128 [0,2,0,0,0,0|1,0,1]=4 9341 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,2,0,0,0,0|1,0,0]=3 9342 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,2,0,0,0,0|1,0,0]=3 9343 B11R0.4 C=CCCNCCC(=O)NCC 2230a_100015191253_100000737597 [0,2,0,0,0,0|1,0,0]=3 9344 B11R0.4 C=CCCNCCC(=O)NCC 34a_100025743525_100000754431 [0,2,0,0,0,0|1,0,0]=3 9345 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,2,0,0,0,0|1,0,0]=3 9346 B11R0.4 C=CCCNCOC(=O)CCC 2230a_100015191253_100000034017 [0,2,0,0,0,0|2,0,0]=4 9347 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,2,0,0,0,0|1,0,0]=3 9348 B11R0.4 C=CCCOCOC(=O)CCC 34a_100011205117_100000034017 [0,2,0,0,0,0|2,0,0]=4 9349 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000737597_100000754431 [0,2,0,0,0,0|1,0,0]=3 9350 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000754431_100000737597 [0,2,0,0,0,0|1,0,0]=3 9351 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,2,0,0,0,0|1,0,0]=3 9352 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,2,0,0,0,0|1,0,0]=3 9353 B11R0.4 C=CCCSCOC(=O)CCC 62a_100000754431_100000034017 [0,2,0,0,0,0|2,0,0]=4 9354 B11R0.4 C=CCCSCOC(=O)OCC 62a_100000754431_100000075025 [0,2,0,0,0,0|2,0,0]=4 9355 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,2,0,0,0,0|1,0,0]=3 9356 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,2,0,0,0,0|1,0,0]=3 9357 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,2,0,0,0,0|1,0,0]=3 9358 B11R0.4 C=CCOCCNC(=O)OCC 34a_100000158857_100015514636 [0,2,0,0,0,0|2,0,0]=4 9359 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,2,0,0,0,0|1,0,0]=3 9360 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,2,0,0,0,0|1,0,0]=3 9361 B11R0.4 C=CCSCCNC(=O)OCC 62a_100000210623_200011445536 [0,2,0,0,0,0|2,0,0]=4 9362 B11R0.4 C=COCCCNC(=O)C=CC 11a_100000210767_100000210699 [0,2,0,0,0,0|2,0,0]=4 9363 B11R0.4 C=COCCCNC(=O)C=CC 1626a_100000210767_100000210699 [0,2,0,0,0,0|2,0,0]=4 9364 B11R0.4 C=COCCCNC(=O)C=CC 240690a_100000210767_100000210699 [0,2,0,0,0,0|2,0,0]=4 9365 B11R0.4 C=COCCCNC(=O)CC#N 1626a_100000210767_100051588842 [0,2,0,0,0,0|2,0,0]=4 9366 B11R0.4 C=COCCCNC(=O)CC#N 240690a_100000210767_100051588842 [0,2,0,0,0,0|2,0,0]=4 9367 B11R0.4 C=COCCCNC(=O)CCC 11a_100000210767_100000211992 [0,2,0,0,0,0|2,0,0]=4 9368 B11R0.4 C=COCCCNC(=O)CCC 1626a_100000210767_100000211992 [0,2,0,0,0,0|2,0,0]=4 9369 B11R0.4 C=COCCCNC(=O)CCC 240690a_100000210767_100000211992 [0,2,0,0,0,0|2,0,0]=4 9370 B11R0.4 C=COCCCNC(=O)CCC 527a_100000210767_100000211992 [0,2,0,0,0,0|2,0,0]=4 9371 B11R0.4 C=COCCCNC(=O)CCO 240690a_100000210767_100011216618 [0,2,0,0,0,0|2,0,0]=4 9372 B11R0.4 C=COCCCNC(=O)COC 11a_100000210767_100000210968 [0,2,0,0,0,0|2,0,0]=4 9373 B11R0.4 C=COCCCNC(=O)COC 1626a_100000210767_100000210968 [0,2,0,0,0,0|2,0,0]=4 9374 B11R0.4 C=COCCCNC(=O)COC 240690a_100000210767_100000210968 [0,2,0,0,0,0|2,0,0]=4 9375 B11R0.4 C=COCCCNC(=O)COC 527a_100000210767_100000210968 [0,2,0,0,0,0|2,0,0]=4 9376 B11R0.4 C=COCCCNC(=O)CSC 11a_100000210767_100000184570 [0,2,0,0,0,0|2,0,0]=4 9377 B11R0.4 C=COCCCNC(=O)CSC 1626a_100000210767_100000184570 [0,2,0,0,0,0|2,0,0]=4 9378 B11R0.4 C=COCCCNC(=O)CSC 240690a_100000210767_100000184570 [0,2,0,0,0,0|2,0,0]=4 9379 B11R0.4 C=COCCCNC(=O)CSC 527a_100000210767_100000184570 [0,2,0,0,0,0|2,0,0]=4 9380 B11R0.4 C=COCCCNC(=O)NCC 2708a_100000210767_100015525214 [0,2,0,0,0,0|2,0,0]=4 9381 B11R0.4 C=COCCCNC(=O)NCC 2708a_100015525214_100000210767 [0,2,0,0,0,0|2,0,0]=4 9382 B11R0.4 C=COCCCNC(=O)NCC 273464a_100000210767_100015525214 [0,2,0,0,0,0|2,0,0]=4 9383 B11R0.4 C=COCCCNC(=O)NCC 273464a_100015525214_100000210767 [0,2,0,0,0,0|2,0,0]=4 9384 B11R0.4 C=COCCCNC(=O)NCC 512a_100000210767_100015525214 [0,2,0,0,0,0|2,0,0]=4 9385 B11R0.4 C=COCCCNC(=O)NCC 512a_100015525214_100000210767 [0,2,0,0,0,0|2,0,0]=4 9386 B11R0.4 C=COCCCNC(=O)NNC 273464a_100000210767_100016993582 [0,2,0,0,0,0|2,0,0]=4 9387 B11R0.4 C=COCCCNC(=O)NNC 512a_100000210767_100016993582 [0,2,0,0,0,0|2,0,0]=4 9388 B11R0.4 C=COCCCNC(=O)NNC 512a_100016993582_100000210767 [0,2,0,0,0,0|2,0,0]=4 9389 B11R0.4 C=COCCNCC(=O)NCC 2230a_100016988866_100000039644 [0,2,0,0,0,0|2,0,0]=4 9390 B11R0.4 C=COCCOCC(=O)NCC 34a_100000033082_100000183381 [0,2,0,0,0,0|2,0,0]=4 9391 B11R0.4 C=COCCOCC(=O)NCO 34a_100000033082_100000185155 [0,2,0,0,0,0|2,0,0]=4 9392 B11R0.4 C=COCCOCC(=O)OCC 34a_100000033082_100000188475 [0,2,0,0,0,0|2,0,0]=4 9393 B11R0.4 C=COCCSCC(=O)CCC 62a_100000039644_100000747444 [0,2,0,0,0,0|2,0,0]=4 9394 B11R0.4 C=COCCSCC(=O)CCC 62a_100000747444_100000039644 [0,2,0,0,0,0|2,0,0]=4 9395 B11R0.4 C=COCCSCC(=O)NCC 62a_100000039644_100000183381 [0,2,0,0,0,0|2,0,0]=4 9396 B11R0.4 C=COCCSCC(=O)NCC 62a_100000183381_100000039644 [0,2,0,0,0,0|2,0,0]=4 9397 B11R0.4 C=COCCSCC(=O)NCO 62a_100000039644_100000185155 [0,2,0,0,0,0|2,0,0]=4 9398 B11R0.4 C=COCCSCC(=O)NCO 62a_100000185155_100000039644 [0,2,0,0,0,0|2,0,0]=4 9399 B11R0.4 C=COCCSCC(=O)OCC 62a_100000039644_100000188475 [0,2,0,0,0,0|2,0,0]=4 9400 B11R0.4 C=COCCSCC(=O)OCC 62a_100000188475_100000039644 [0,2,0,0,0,0|2,0,0]=4 9401 B11R0.4 CC#CC(=O)CCCCCC#N 1458a_100000763181_100009813376 [0,2,0,0,0,0|1,0,1]=4 9402 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,2,0,0,0,0|0,0,2]=4 9403 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,2,0,0,0,0|1,0,1]=4 9404 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,2,0,0,0,0|1,0,1]=4 9405 B11R0.4 CC=CC(=O)CCCCCC#N 1458a_100000210699_100009813376 [0,2,0,0,0,0|1,0,1]=4 9406 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,2,0,0,0,0|0,0,2]=4 9407 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,2,0,0,0,0|1,0,1]=4 9408 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,2,0,0,0,0|1,0,1]=4 9409 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,2,0,0,0,0|1,0,1]=4 9410 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|1,0,1]=4 9411 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|1,0,1]=4 9412 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|1,0,1]=4 9413 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|1,0,1]=4 9414 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,2,0,0,0,0|2,0,0]=4 9415 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,2,0,0,0,0|2,0,0]=4 9416 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,2,0,0,0,0|0,0,2]=4 9417 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,2,0,0,0,0|0,0,2]=4 9418 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|0,0,2]=4 9419 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|0,0,2]=4 9420 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|0,0,2]=4 9421 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,2]=4 9422 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,2]=4 9423 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|0,0,2]=4 9424 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|0,0,2]=4 9425 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|0,0,2]=4 9426 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|0,0,2]=4 9427 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|0,0,2]=4 9428 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,2,0,0,0,0|0,0,2]=4 9429 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,2,0,0,0,0|1,0,1]=4 9430 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,2,0,0,0,0|1,0,1]=4 9431 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,2,0,0,0,0|1,0,1]=4 9432 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,2,0,0,0,0|1,0,1]=4 9433 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,2,0,0,0,0|2,0,0]=4 9434 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,2,0,0,0,0|2,0,0]=4 9435 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,2,0,0,0,0|2,0,0]=4 9436 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,2,0,0,0,0|1,0,1]=4 9437 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,2,0,0,0,0|1,0,1]=4 9438 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,2,0,0,0,0|1,0,1]=4 9439 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,2,0,0,0,0|1,0,1]=4 9440 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,2,0,0,0,0|1,0,1]=4 9441 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,2,0,0,0,0|1,0,1]=4 9442 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,2,0,0,0,0|1,0,1]=4 9443 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,2,0,0,0,0|1,0,1]=4 9444 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,2,0,0,0,0|1,0,1]=4 9445 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,2,0,0,0,0|1,0,1]=4 9446 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,2,0,0,0,0|2,0,0]=4 9447 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,2,0,0,0,0|2,0,0]=4 9448 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,2,0,0,0,0|2,0,0]=4 9449 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,2,0,0,0,0|2,0,0]=4 9450 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,2,0,0,0,0|2,0,0]=4 9451 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,2,0,0,0,0|1,0,1]=4 9452 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,2,0,0,0,0|1,0,1]=4 9453 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,2,0,0,0,0|1,0,1]=4 9454 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,2,0,0,0,0|1,0,1]=4 9455 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,2,0,0,0,0|1,0,1]=4 9456 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,2,0,0,0,0|1,0,1]=4 9457 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|1,0,1]=4 9458 B11R0.4 CSCC(=O)CCCCCC#N 1458a_100000184570_100009813376 [0,2,0,0,0,0|1,0,1]=4 9459 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,2,0,0,0,0|1,0,1]=4 9460 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,2,0,0,0,0|1,0,1]=4 9461 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,2,0,0,0,0|1,0,1]=4 9462 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,2,0,0,0,0|1,0,1]=4 9463 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,2,0,0,0,0|1,0,1]=4 9464 B11R0.4 N#CCCCCCC(=O)CC#N 1458a_100051588842_100009813376 [0,2,0,0,0,0|1,0,1]=4 9465 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,2,0,0,0,0|1,0,1]=4 9466 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,2,0,0,0,0|1,0,1]=4 9467 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,2,0,0,0,0|1,0,1]=4 9468 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|1,0,1]=4 9469 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|1,0,1]=4 9470 B11R0.4 O=CCCCSCC(=O)NCO 62a_100000185155_200011292268 [0,2,0,0,0,0|2,0,0]=4 9471 B11R0.4 O=CCCCSCC(=O)NCO 62a_200011292268_100000185155 [0,2,0,0,0,0|2,0,0]=4 9472 B11R0.70 C=CCCC(=O)CCC(=O)NC 1458a_100011309844_100000754431 [0,2,0,0,0,0|0,0,1]=3 9473 B11R0.70 C=CCCC(=O)CCC(=O)OC 1458a_100000187943_100000754431 [0,2,0,0,0,0|0,0,1]=3 9474 B11R0.70 C=CCCC(=O)CCS(=O)CC 1458a_100011387550_100000754431 [0,2,0,0,0,0|1,0,1]=4 9475 B11R0.70 C=CCCC(=O)CNC(=O)CC 1458a_100000194589_100000754431 [0,2,0,0,0,0|1,0,1]=4 9476 B11R0.70 C=CCCC(=O)CNC(=O)OC 1458a_100000215747_100000754431 [0,2,0,0,0,0|1,0,1]=4 9477 B11R0.70 C=CCCC(=O)NCC(=O)NC 11a_100000693194_100000749702 [0,2,0,0,0,0|1,0,1]=4 9478 B11R0.70 C=CCCC(=O)NCC(=O)NC 240690a_100000693194_100000749702 [0,2,0,0,0,0|1,0,1]=4 9479 B11R0.70 C=CCCC(=O)NCC(=O)NC 527a_100000693194_100000749702 [0,2,0,0,0,0|1,0,1]=4 9480 B11R0.70 C=CCCC(=O)NCC(=O)OC 188690a_100000185156_100000749702 [0,2,0,0,0,0|1,0,1]=4 9481 B11R0.70 C=CCCC(C)NCC(=O)NC 270004a_100000693194_100000762624 [0,2,0,0,0,0|1,0,0]=3 9482 B11R0.70 C=CCCC(C)OCC(=O)CC 7a_100000765329_100000747405 [0,2,0,0,0,0|1,0,0]=3 9483 B11R0.70 C=CCCC(C)OCC(=O)NC 34a_100000765329_100000183359 [0,2,0,0,0,0|1,0,0]=3 9484 B11R0.70 C=CCCC(C)OCC(=O)NC 7a_100000765329_100000183359 [0,2,0,0,0,0|1,0,0]=3 9485 B11R0.70 C=CCCC(C)OCC(=O)OC 34a_100000765329_100000747449 [0,2,0,0,0,0|1,0,0]=3 9486 B11R0.70 C=CCCC(C)OCC(=O)OC 7a_100000765329_100000747449 [0,2,0,0,0,0|1,0,0]=3 9487 B11R0.70 C=CCCN(C)CCC(=O)NC 2230a_100000750875_100000754431 [0,2,0,0,0,0|1,0,0]=3 9488 B11R0.70 C=CCCN(C)CCC(=O)NC 2230a_100020639649_100000737683 [0,2,0,0,0,0|1,0,0]=3 9489 B11R0.70 C=CCCN(C)CCC(=O)NC 269982a_100000750875_100000754431 [0,2,0,0,0,0|1,0,0]=3 9490 B11R0.70 C=CCCN(C)CCC(=O)NC 269982a_100020639649_100000737683 [0,2,0,0,0,0|1,0,0]=3 9491 B11R0.70 C=CCCN(C)CCC(=O)OC 2230a_100020639649_100000204255 [0,2,0,0,0,0|1,0,0]=3 9492 B11R0.70 C=CCCN(C)CCC(=O)OC 269982a_100020639649_100000204255 [0,2,0,0,0,0|1,0,0]=3 9493 B11R0.70 C=CCCN(C)CCC(=O)OC 269982a_100025711912_100000754431 [0,2,0,0,0,0|1,0,0]=3 9494 B11R0.70 C=CCNC(=O)CCC(=O)NC 1626a_100020586998_100011309844 [0,2,0,0,0,0|1,0,1]=4 9495 B11R0.70 C=CCNC(=O)CCC(=O)NC 240690a_100020586998_100011309844 [0,2,0,0,0,0|1,0,1]=4 9496 B11R0.70 C=CCNC(=O)CCC(=O)NC 527a_100020586998_100011309844 [0,2,0,0,0,0|1,0,1]=4 9497 B11R0.70 C=CCNC(=O)CCC(=O)OC 1626a_100020586998_100000187943 [0,2,0,0,0,0|1,0,1]=4 9498 B11R0.70 C=CCNC(=O)CCC(=O)OC 240690a_100020586998_100000187943 [0,2,0,0,0,0|1,0,1]=4 9499 B11R0.70 C=CCNC(=O)CCC(=O)OC 527a_100020586998_100000187943 [0,2,0,0,0,0|1,0,1]=4 9500 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,2,0,0,0,0|0,0,2]=4 9501 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,2,0,0,0,0|0,0,2]=4 9502 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,2,0,0,0,0|0,0,2]=4 9503 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,2,0,0,0,0|0,0,2]=4 9504 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,2,0,0,0,0|0,0,2]=4 9505 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,2,0,0,0,0|0,0,2]=4 9506 B11R0.124 C=CCCCCCN(CC)CC 2230a_100000724800_100000700193 [0,2,0,0,0,0|2,0,0]=4 9507 B11R0.124 C=CCCCCCN(CC)CC 269956a_100000042499_100000700193 [0,2,0,0,0,0|2,0,0]=4 9508 B11R0.124 C=CCCCCCN(CC)CC 269982a_100000724800_100000700193 [0,2,0,0,0,0|2,0,0]=4 9509 B11R0.142 C=CCCCCC(=O)/C(=C/C)/C 1458a_100020587367_100011215482 [0,2,0,0,0,0|1,0,1]=4 9510 B11R0.142 C=CCCCCC(=O)C(=O)NC 1458a_100011218921_100011215482 [0,2,0,0,0,0|0,0,1]=3 9511 B11R0.142 C=CCCCCN(C)C(=O)C=C 1626a_100012000471_100000185746 [0,2,0,0,0,0|1,0,1]=4 9512 B11R0.142 C=CCCCCN(C)C(=O)C=C 240690a_100012000471_200121576911 [0,2,0,0,0,0|1,0,1]=4 9513 B11R0.142 C=CCCCCN(C)C(=O)CC 11a_100012000471_100000210414 [0,2,0,0,0,0|1,0,0]=3 9514 B11R0.142 C=CCCCCN(C)C(=O)CC 1626a_100012000471_100000210414 [0,2,0,0,0,0|1,0,0]=3 9515 B11R0.142 C=CCCCCN(C)C(=O)CC 240690a_100012000471_100000210414 [0,2,0,0,0,0|1,0,0]=3 9516 B11R0.142 C=CCCCCN(C)C(=O)CC 527a_100012000471_100000210414 [0,2,0,0,0,0|1,0,0]=3 9517 B11R0.142 C=CCCCCN(C)C(=O)CO 240690a_100012000471_100000210174 [0,2,0,0,0,0|1,0,0]=3 9518 B11R0.142 C=CCCCCN(C)C(=O)CO 527a_100012000471_100000210174 [0,2,0,0,0,0|1,0,0]=3 9519 B11R0.142 C=CCCCCN(C)C(=O)NC 2708a_100102657272_100012000471 [0,2,0,0,0,0|1,0,0]=3 9520 B11R0.142 C=CCCCCN(C)C(=O)NC 273464a_100102657272_100012000471 [0,2,0,0,0,0|1,0,0]=3 9521 B11R0.142 C=CCCCNC(=O)C(=O)NC 1626a_100000700776_100011218921 [0,2,0,0,0,0|1,0,1]=4 9522 B11R0.142 C=CCCCNC(=O)C(=O)NC 240690a_100000700776_100011218921 [0,2,0,0,0,0|1,0,1]=4 9523 B11R0.142 C=CCCCNC(=O)C(=O)NC 527a_100000700776_100011218921 [0,2,0,0,0,0|1,0,1]=4 9524 B11R0.142 C=CCCCNC(=O)C(=O)OC 11a_100000700776_100000024059 [0,2,0,0,0,0|1,0,1]=4 9525 B11R0.142 C=CCCCNC(=O)C(=O)OC 1626a_100000700776_100000024059 [0,2,0,0,0,0|1,0,1]=4 9526 B11R0.142 C=CCCCNC(=O)C(=O)OC 240690a_100000700776_100000024059 [0,2,0,0,0,0|1,0,1]=4 9527 B11R0.142 C=CCCCNC(=O)C(=O)OC 527a_100000700776_100000024059 [0,2,0,0,0,0|1,0,1]=4 9528 B11R0.142 C=CCCCNC(C)/C(=C/C)/C 269862a_100000700776_100020675665 [0,2,0,0,0,0|2,0,0]=4 9529 B11R0.142 C=CCCCNC(C)C(=O)CC 2230a_100000700776_100000742827 [0,2,0,0,0,0|1,0,0]=3 9530 B11R0.142 C=CCCCNC(C)C(=O)NC 2230a_100000700776_100000731044 [0,2,0,0,0,0|1,0,0]=3 9531 B11R0.142 C=CCCCNC(C)C(=O)NC 34a_100000700776_100000731044 [0,2,0,0,0,0|1,0,0]=3 9532 B11R0.142 C=CCCCNC(C)C(=O)OC 2230a_100000700776_100000211248 [0,2,0,0,0,0|1,0,0]=3 9533 B11R0.142 C=CCCCNC(C)C(=O)OC 34a_100000700776_100000211248 [0,2,0,0,0,0|1,0,0]=3 9534 B11R0.142 C=CCCCNC(F)C(=O)NC 2230a_100000700776_100009813575 [0,2,0,0,0,0|1,0,0]=3 9535 B11R0.142 C=CCCCNC(F)C(=O)NC 34a_100000700776_100009813575 [0,2,0,0,0,0|1,0,0]=3 9536 B11R0.142 C=CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011713584 [0,2,0,0,0,0|1,0,0]=3 9537 B11R0.142 C=CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000757094 [0,2,0,0,0,0|1,0,0]=3 9538 B11R0.142 C=CCCCOC(C)C(=O)CC 7a_100000758997_100000742827 [0,2,0,0,0,0|1,0,0]=3 9539 B11R0.142 C=CCCCOC(C)C(=O)NC 34a_100000758997_100000731044 [0,2,0,0,0,0|1,0,0]=3 9540 B11R0.142 C=CCCCOC(C)C(=O)NC 7a_100000758997_100000209862 [0,2,0,0,0,0|1,0,0]=3 9541 B11R0.142 C=CCCCOC(C)C(=O)NN 34a_100000725659_100000757094 [0,2,0,0,0,0|2,0,0]=4 9542 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100000758997_100000211248 [0,2,0,0,0,0|1,0,0]=3 9543 B11R0.142 C=CCCCOC(C)C(=O)OC 34a_100011215400_100000757094 [0,2,0,0,0,0|1,0,0]=3 9544 B11R0.142 C=CCCCOC(C)C(=O)OC 7a_100000758997_100000211248 [0,2,0,0,0,0|1,0,0]=3 9545 B11R0.142 C=CCCCOC(F)C(=O)NC 34a_100000758997_100009813575 [0,2,0,0,0,0|1,0,0]=3 9546 B11R0.142 C=CCCCOC(F)C(=O)NC 7a_100000758997_100009813575 [0,2,0,0,0,0|1,0,0]=3 9547 B11R0.142 C=CCCCSC(C)C(=O)CC 62a_100000742827_100000757094 [0,2,0,0,0,0|1,0,0]=3 9548 B11R0.142 C=CCCCSC(C)C(=O)CC 62a_100011713584_100000742827 [0,2,0,0,0,0|1,0,0]=3 9549 B11R0.142 C=CCCCSC(C)C(=O)NC 62a_100000209862_100000757094 [0,2,0,0,0,0|1,0,0]=3 9550 B11R0.142 C=CCCCSC(C)C(=O)NC 62a_100011713584_100000731044 [0,2,0,0,0,0|1,0,0]=3 9551 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100000211248_100000757094 [0,2,0,0,0,0|1,0,0]=3 9552 B11R0.142 C=CCCCSC(C)C(=O)OC 62a_100011713584_100000211248 [0,2,0,0,0,0|1,0,0]=3 9553 B11R0.142 C=CCCCSC(F)C(=O)NC 62a_100009813575_100000757094 [0,2,0,0,0,0|1,0,0]=3 9554 B11R0.142 C=CCCCSC(F)C(=O)NC 62a_100011713584_100009813575 [0,2,0,0,0,0|1,0,0]=3 9555 B11R0.142 C=CCCNCC(C)C(=O)NC 2230a_100015187722_100000754431 [0,2,0,0,0,0|1,0,0]=3 9556 B11R0.142 C=CCCNCC(C)C(=O)NC 34a_100015187722_100000754431 [0,2,0,0,0,0|1,0,0]=3 9557 B11R0.142 C=CCCOCC(=C)C(=O)OC 34a_100011205117_100009813391 [0,2,0,0,0,0|1,0,1]=4 9558 B11R0.142 C=CCCOCC(=O)C(=O)OC 34a_100011205117_100011610305 [0,2,0,0,0,0|1,0,1]=4 9559 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100000749362_100000754431 [0,2,0,0,0,0|1,0,0]=3 9560 B11R0.142 C=CCCOCC(C)C(=O)OC 34a_100011205117_100000698445 [0,2,0,0,0,0|1,0,0]=3 9561 B11R0.142 C=CCCOCC(C)C(=O)OC 7a_100000749362_100000754431 [0,2,0,0,0,0|1,0,0]=3 9562 B11R0.142 C=CCCOCC(F)C(=O)OC 34a_200009849844_100000754431 [0,2,0,0,0,0|1,0,0]=3 9563 B11R0.142 C=CCCOCC(N)C(=O)NN 34a_100016989258_100000754431 [0,2,0,0,0,0|2,0,0]=4 9564 B11R0.142 C=CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000754431 [0,2,0,0,0,0|1,0,0]=3 9565 B11R0.142 C=CCCSCC(=C)C(=O)OC 62a_100000754431_100009813391 [0,2,0,0,0,0|1,0,1]=4 9566 B11R0.142 C=CCCSCC(=C)C(=O)OC 62a_100009813391_100000754431 [0,2,0,0,0,0|1,0,1]=4 9567 B11R0.142 C=CCCSCC(=O)C(=O)OC 62a_100000754431_100011610305 [0,2,0,0,0,0|1,0,1]=4 9568 B11R0.142 C=CCCSCC(=O)C(=O)OC 62a_100011610305_100000754431 [0,2,0,0,0,0|1,0,1]=4 9569 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000698445_100000754431 [0,2,0,0,0,0|1,0,0]=3 9570 B11R0.142 C=CCCSCC(C)C(=O)OC 62a_100000754431_100000698445 [0,2,0,0,0,0|1,0,0]=3 9571 B11R0.142 C=CCNCCC(C)C(=O)OC 2230a_100020586998_100000034942 [0,2,0,0,0,0|1,0,0]=3 9572 B11R0.142 C=CCOCCC(C)C(=O)OC 34a_200000210373_100000034942 [0,2,0,0,0,0|1,0,0]=3 9573 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000034942_100000210623 [0,2,0,0,0,0|1,0,0]=3 9574 B11R0.142 C=CCSCCC(C)C(=O)OC 62a_100000210623_100000034942 [0,2,0,0,0,0|1,0,0]=3 9575 B11R0.142 C=COCCN[C@H](C)C(=O)NC 2230a_100000684985_100000039644 [0,2,0,0,0,0|2,0,0]=4 9576 B11R0.142 C=COCCN[C@H](C)C(=O)NC 34a_100000684985_100000039644 [0,2,0,0,0,0|2,0,0]=4 9577 B11R0.142 C=COCCOC(C)C(=O)NC 34a_100000033082_100000731044 [0,2,0,0,0,0|2,0,0]=4 9578 B11R0.142 C=COCCOC(C)C(=O)OC 34a_100000033082_100000211248 [0,2,0,0,0,0|2,0,0]=4 9579 B11R0.142 C=COCCOC(C)C(=O)OC 34a_100011215400_100000039644 [0,2,0,0,0,0|2,0,0]=4 9580 B11R0.142 C=COCCOC(F)C(=O)NC 34a_100000033082_100009813575 [0,2,0,0,0,0|2,0,0]=4 9581 B11R0.142 C=COCCSC(C)C(=O)CC 62a_100000039644_100000742827 [0,2,0,0,0,0|2,0,0]=4 9582 B11R0.142 C=COCCSC(C)C(=O)CC 62a_100000742827_100000039644 [0,2,0,0,0,0|2,0,0]=4 9583 B11R0.142 C=COCCSC(C)C(=O)NC 62a_100000039644_100000731044 [0,2,0,0,0,0|2,0,0]=4 9584 B11R0.142 C=COCCSC(C)C(=O)NC 62a_100000209862_100000039644 [0,2,0,0,0,0|2,0,0]=4 9585 B11R0.142 C=COCCSC(C)C(=O)OC 62a_100000039644_100000211248 [0,2,0,0,0,0|2,0,0]=4 9586 B11R0.142 C=COCCSC(C)C(=O)OC 62a_100000211248_100000039644 [0,2,0,0,0,0|2,0,0]=4 9587 B11R0.142 C=COCCSC(F)C(=O)NC 62a_100000039644_100009813575 [0,2,0,0,0,0|2,0,0]=4 9588 B11R0.142 C=COCCSC(F)C(=O)NC 62a_100009813575_100000039644 [0,2,0,0,0,0|2,0,0]=4 9589 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_100000742827_200011292268 [0,2,0,0,0,0|2,0,0]=4 9590 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_200011292268_100000742827 [0,2,0,0,0,0|2,0,0]=4 9591 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|0,0,2]=4 9592 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|0,0,2]=4 9593 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|0,0,2]=4 9594 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,2,0,0,0,0|0,0,2]=4 9595 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,2,0,0,0,0|0,0,2]=4 9596 B11R0.142 CNC(=O)C(C)SCCCC=O 62a_100000209862_200011292268 [0,2,0,0,0,0|2,0,0]=4 9597 B11R0.142 CNC(=O)C(C)SCCCC=O 62a_200011292268_100000731044 [0,2,0,0,0,0|2,0,0]=4 9598 B11R0.142 CNC(=O)C(F)SCCCC=O 62a_100009813575_200011292268 [0,2,0,0,0,0|2,0,0]=4 9599 B11R0.142 CNC(=O)C(F)SCCCC=O 62a_200011292268_100009813575 [0,2,0,0,0,0|2,0,0]=4 9600 B11R0.142 CNC(=O)[C@@H](C)NCCCC=O 2230a_100000684985_200011292268 [0,2,0,0,0,0|2,0,0]=4 9601 B11R0.142 COC(=O)C(C)CCSCC=O 62a_100000034942_200015260668 [0,2,0,0,0,0|2,0,0]=4 9602 B11R0.142 COC(=O)C(C)CCSCC=O 62a_200015260668_100000034942 [0,2,0,0,0,0|2,0,0]=4 9603 B11R0.142 COC(=O)C(C)SCCCC=O 62a_100000211248_200011292268 [0,2,0,0,0,0|2,0,0]=4 9604 B11R0.142 COC(=O)C(C)SCCCC=O 62a_200011292268_100000211248 [0,2,0,0,0,0|2,0,0]=4 9605 B11R0.76 C=CCCCNC(C#N)C(=O)N 2230a_100000039599_100011713584 [0,2,0,0,0,0|2,0,0]=4 9606 B11R0.76 C=CCCCNC(CC)C(=O)N 2230a_100000700776_100000750255 [0,2,0,0,0,0|2,0,0]=4 9607 B11R0.76 C=CCCCNC(CC)C(=O)N 2230a_100000733705_100011713584 [0,2,0,0,0,0|2,0,0]=4 9608 B11R0.76 C=CCCCNC(CC)C(=O)N 34a_100000700776_100000750255 [0,2,0,0,0,0|2,0,0]=4 9609 B11R0.76 C=CCCCNC(CC)C(=O)N 34a_100000733705_100000757094 [0,2,0,0,0,0|2,0,0]=4 9610 B11R0.76 C=CCCCNC(CO)C(=O)O 269956a_100000187304_100011713584 [0,2,0,0,0,0|2,0,0]=4 9611 B11R0.76 C=CCCCN[C@@H](C=C)C(=O)O 269956a_100016992060_100011713584 [0,2,0,0,0,0|2,0,0]=4 9612 B11R0.76 C=CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011713584 [0,2,0,0,0,0|2,0,0]=4 9613 B11R0.76 C=CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000757094 [0,2,0,0,0,0|2,0,0]=4 9614 B11R0.76 C=CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011713584 [0,2,0,0,0,0|2,0,0]=4 9615 B11R0.76 C=CCCCOC(CC)C(=O)N 34a_100000758997_100000750255 [0,2,0,0,0,0|2,0,0]=4 9616 B11R0.76 C=CCCCOC(CC)C(=O)N 7a_100000758997_100000750255 [0,2,0,0,0,0|2,0,0]=4 9617 B11R0.76 C=CCCCSC(CC)C(=O)N 62a_100000750255_100000757094 [0,2,0,0,0,0|2,0,0]=4 9618 B11R0.76 C=CCCCSC(CC)C(=O)N 62a_100011713584_100000750255 [0,2,0,0,0,0|2,0,0]=4 9619 B11R0.125 C=CCCCNC(C)(C)C(=O)N 2230a_100000700776_100000702505 [0,2,0,0,0,0|2,0,0]=4 9620 B11R0.125 C=CCCCNC(C)(C)C(=O)N 2230a_100000743658_100011713584 [0,2,0,0,0,0|2,0,0]=4 9621 B11R0.125 C=CCCCNC(C)(C)C(=O)N 34a_100000700776_100000702505 [0,2,0,0,0,0|2,0,0]=4 9622 B11R0.125 C=CCCCNC(C)(C)C(=O)N 34a_100000743658_100000757094 [0,2,0,0,0,0|2,0,0]=4 9623 B11R0.125 C=CCCCNC(F)(F)C(=O)[O-] 34a_100000700776_100020612412 [0,2,0,0,0,0|2,0,0]=4 9624 B11R0.125 C=CCCCOC(C)(C)C(=O)C 34a_100000747739_100000757094 [0,2,0,0,0,0|1,0,0]=3 9625 B11R0.125 C=CCCCOC(C)(C)C(=O)C 7a_100000747739_100000757094 [0,2,0,0,0,0|1,0,0]=3 9626 B11R0.125 C=CCCCOC(C)(C)C(=O)C 7a_100000758997_100000075568 [0,2,0,0,0,0|1,0,0]=3 9627 B11R0.125 C=CCCCOC(C)(C)C(=O)N 34a_100000758997_100000702505 [0,2,0,0,0,0|2,0,0]=4 9628 B11R0.125 C=CCCCOC(C)(C)C(=O)N 34a_100011626353_100000757094 [0,2,0,0,0,0|2,0,0]=4 9629 B11R0.125 C=CCCCOC(C)(C)C(=O)N 7a_100000758997_100000702505 [0,2,0,0,0,0|2,0,0]=4 9630 B11R0.125 C=CCCCOC(C)(C)C(=O)N 7a_100011626353_100000757094 [0,2,0,0,0,0|2,0,0]=4 9631 B11R0.125 C=CCCCOC(F)(F)C(=O)N 7a_100000758997_100009811971 [0,2,0,0,0,0|2,0,0]=4 9632 B11R0.125 C=CCCCOC(F)(F)C(=O)[O-] 34a_100000758997_100020612412 [0,2,0,0,0,0|2,0,0]=4 9633 B11R0.125 C=CCCCSC(C)(C)C(=O)C 62a_100000075568_100000757094 [0,2,0,0,0,0|1,0,0]=3 9634 B11R0.125 C=CCCCSC(C)(C)C(=O)C 62a_100011713584_100000075568 [0,2,0,0,0,0|1,0,0]=3 9635 B11R0.125 C=CCCCSC(C)(C)C(=O)N 62a_100000702505_100000757094 [0,2,0,0,0,0|2,0,0]=4 9636 B11R0.125 C=CCCCSC(C)(C)C(=O)N 62a_100011713584_100000702505 [0,2,0,0,0,0|2,0,0]=4 9637 B11R0.125 C=CCCCSC(F)(F)C(=O)N 62a_100009811971_100000757094 [0,2,0,0,0,0|2,0,0]=4 9638 B11R0.125 C=CCCCSC(F)(F)C(=O)N 62a_100011713584_100009811971 [0,2,0,0,0,0|2,0,0]=4 9639 B11R0.125 C=CCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000757094 [0,2,0,0,0,0|2,0,0]=4 9640 B11R0.125 C=CCCCSC(F)(F)C(=O)[O-] 62a_100011713584_100000745680 [0,2,0,0,0,0|2,0,0]=4 9641 B11R0.125 C=CCCNCC(C)(C)C(=O)N 2230a_100000740840_100000754431 [0,2,0,0,0,0|2,0,0]=4 9642 B11R0.125 C=CCCNCC(C)(C)C(=O)N 34a_100000740840_100000754431 [0,2,0,0,0,0|2,0,0]=4 9643 B11R0.125 C=CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000754431 [0,2,0,0,0,0|2,0,0]=4 9644 B11R0.125 C=CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000754431 [0,2,0,0,0,0|2,0,0]=4 9645 B11R0.125 C=CCCOCC(C)(C)C(=O)N 34a_100011205117_200009895572 [0,2,0,0,0,0|2,0,0]=4 9646 B11R0.125 C=CCCSCC(C)(C)C(=O)N 62a_100000754431_200009895572 [0,2,0,0,0,0|2,0,0]=4 9647 B11R0.125 C=CCCSCC(C)(C)C(=O)N 62a_200009895572_100000754431 [0,2,0,0,0,0|2,0,0]=4 9648 B11R0.125 C=COCCOC(C)(C)C(=O)C 34a_100000747739_100000039644 [0,2,0,0,0,0|2,0,0]=4 9649 B11R0.125 C=COCCOC(C)(C)C(=O)C 7a_100000747739_100000039644 [0,2,0,0,0,0|2,0,0]=4 9650 B11R0.125 C=COCCSC(C)(C)C(=O)C 62a_100000039644_100000075568 [0,2,0,0,0,0|2,0,0]=4 9651 B11R0.125 C=COCCSC(C)(C)C(=O)C 62a_100000075568_100000039644 [0,2,0,0,0,0|2,0,0]=4 9652 B11R0.125 CC(=O)C(C)(C)OCCCC=O 7a_100000747739_200011292268 [0,2,0,0,0,0|2,0,0]=4 9653 B11R0.125 CC(=O)C(C)(C)SCCCC=O 62a_100000075568_200011292268 [0,2,0,0,0,0|2,0,0]=4 9654 B11R0.125 CC(=O)C(C)(C)SCCCC=O 62a_200011292268_100000075568 [0,2,0,0,0,0|2,0,0]=4 9655 B11R0.125 CCCCCCC(C)(C)C(=O)C 1458a_100011290782_200000210301 [0,2,0,0,0,0|0,0,2]=4 9656 B11R0.125 CCCCCCC(C)(C)C(=O)[13CH3] 1458a_100011290782_200025704644 [0,2,0,0,0,0|0,0,2]=4 9657 B11R0.163 C=CCCC(=O)CC(=O)C(=O)C 1458a_100000749702_100011261029 [0,2,0,0,0,0|0,0,2]=4 9658 B11R0.163 C=CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000754431 [0,2,0,0,0,0|1,0,1]=4 9659 B11R0.163 C=CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000762624 [0,2,0,0,0,0|2,0,0]=4 9660 B11R0.163 C=CCCC(C)OC(C)C(=O)C 7a_100000765329_100000179758 [0,2,0,0,0,0|1,0,0]=3 9661 B11R0.163 C=CCCC(C)OC(C)C(=O)N 34a_100000765329_100000702099 [0,2,0,0,0,0|2,0,0]=4 9662 B11R0.163 C=CCCC(C)OC(C)C(=O)N 7a_100000765329_100000702099 [0,2,0,0,0,0|2,0,0]=4 9663 B11R0.163 C=CCCC(C)OC(F)C(=O)N 34a_100000765329_100009813875 [0,2,0,0,0,0|2,0,0]=4 9664 B11R0.163 C=CCCC(C)OC(F)C(=O)N 7a_100000765329_100009813875 [0,2,0,0,0,0|2,0,0]=4 9665 B11R0.163 C=CCCC(C)OC(F)C(=O)[O-] 34a_100000765329_100020610796 [0,2,0,0,0,0|2,0,0]=4 9666 B11R0.163 C=CCCN(C)CC(=O)C(=O)C 269982a_100020639649_100011261029 [0,2,0,0,0,0|1,0,1]=4 9667 B11R0.85 C=C(C)CCC(=O)CCC(=C)C 1458a_200000688413_100000730704 [0,2,0,0,0,0|1,0,1]=4 9668 B11R0.85 C=C(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000730704 [0,2,0,0,0,0|1,0,1]=4 9669 B11R0.85 C=C(C)CCC(=O)CNC(=O)C 1458a_100000194580_100000730704 [0,2,0,0,0,0|1,0,1]=4 9670 B11R0.85 C=C(C)CCC(=O)COC(=O)C 1458a_100000183556_100000730704 [0,2,0,0,0,0|1,0,1]=4 9671 B11R0.85 C=C(C)CCC(=O)CSC(=O)C 1458a_100000049016_100000730704 [0,2,0,0,0,0|1,0,1]=4 9672 B11R0.85 C=C(C)CCN(C)CCC(=O)N 2230a_100000730477_100000730704 [0,2,0,0,0,0|2,0,0]=4 9673 B11R0.164 C=CCCN(CC)CCC(=O)N 2230a_100020645749_100000754431 [0,2,0,0,0,0|2,0,0]=4 9674 B11R0.164 C=CCOC(CCl)COC(=O)C 7a_200000139349_100015514636 [0,2,0,0,0,0|2,0,0]=4 9675 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [0,2,0,0,0,0|0,0,2]=4 9676 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [0,2,0,0,0,0|0,0,2]=4 9677 B9R1.8 C=CCN1CC=CCC1 2230a_100000698166_100000210623 [1,0,0,1,0,0|1,0,1]=4 9678 B9R1.8 C=CCN1CC=CCC1 269982a_100000698166_100000210623 [1,0,0,1,0,0|1,0,1]=4 9679 B9R1.8 C=CCN1CC=CCC1 34a_100000698166_100015514636 [1,0,0,1,0,0|1,0,1]=4 9680 B9R1.8 C=CCN1CCCOC1 2230a_100000131196_100000210623 [1,0,0,1,0,0|2,0,0]=4 9681 B9R1.8 C=CCN1CCCOC1 269982a_100000131196_100000210623 [1,0,0,1,0,0|2,0,0]=4 9682 B9R1.8 C=CCN1CCCOC1 34a_100000131196_100015514636 [1,0,0,1,0,0|2,0,0]=4 9683 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,1,0,0|1,0,1]=4 9684 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|1,0,1]=4 9685 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,1,0,0|1,0,1]=4 9686 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,1,0,0|1,0,1]=4 9687 B9R1.12 C=CCCN1CC=CC1 269982a_100015195280_100000754431 [1,0,0,1,0,0|1,0,1]=4 9688 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [1,0,0,1,0,0|1,0,1]=4 9689 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [1,0,0,1,0,0|1,0,1]=4 9690 B9R1.12 C=CCCN1CCSC1 2230a_100011215254_100000754431 [1,0,0,1,0,0|2,0,0]=4 9691 B9R1.12 C=CCCN1CCSC1 269982a_100011215254_100000754431 [1,0,0,1,0,0|2,0,0]=4 9692 B9R1.12 C=CCNC1CC=CC1 2230a_100015188752_100000210623 [1,0,0,1,0,0|1,0,1]=4 9693 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [1,0,0,1,0,0|1,0,1]=4 9694 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [1,0,0,1,0,0|1,0,1]=4 9695 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [1,0,0,1,0,0|1,0,1]=4 9696 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [1,0,0,1,0,0|1,0,1]=4 9697 B9R1.12 C=CCNC1CCOC1 2230a_100020586998_100000731011 [1,0,0,1,0,0|2,0,0]=4 9698 B9R1.12 C=CCNC1CCOC1 270004a_100020586998_100000752484 [1,0,0,1,0,0|2,0,0]=4 9699 B9R1.12 C=CCNC1CCSC1 270004a_100020586998_100000212027 [1,0,0,1,0,0|2,0,0]=4 9700 B9R1.12 C=CCN[C@@H]1CCOC1 2230a_200015188469_100000210623 [1,0,0,1,0,0|2,0,0]=4 9701 B9R1.12 C=CCN[C@H]1CCOC1 2230a_100015188467_100000210623 [1,0,0,1,0,0|2,0,0]=4 9702 B9R1.12 C=CCN[C@H]1CCOC1 34a_100015188467_100015514636 [1,0,0,1,0,0|2,0,0]=4 9703 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [1,0,0,1,0,0|1,0,1]=4 9704 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [1,0,0,1,0,0|1,0,1]=4 9705 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [1,0,0,1,0,0|1,0,1]=4 9706 B9R1.12 C=CCOC1CCOC1 34a_200000210373_100000690089 [1,0,0,1,0,0|2,0,0]=4 9707 B9R1.12 C=CCOC1CCSC1 7a_100011232664_100015514636 [1,0,0,1,0,0|2,0,0]=4 9708 B9R1.12 C=CCO[C@H]1CCOC1 34a_100000717292_100015514636 [1,0,0,1,0,0|2,0,0]=4 9709 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [1,0,0,1,0,0|1,0,1]=4 9710 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [1,0,0,1,0,0|1,0,1]=4 9711 B9R1.12 C=CCSC1CCOC1 62a_100000210623_100000690089 [1,0,0,1,0,0|2,0,0]=4 9712 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|1,0,1]=4 9713 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|1,0,1]=4 9714 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|1,0,1]=4 9715 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|1,0,1]=4 9716 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|1,0,1]=4 9717 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|1,0,1]=4 9718 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|1,0,1]=4 9719 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|1,0,1]=4 9720 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|1,0,1]=4 9721 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [1,0,0,1,0,0|1,0,1]=4 9722 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [1,0,0,1,0,0|1,0,1]=4 9723 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [1,0,0,1,0,0|1,0,1]=4 9724 B9R1.17 C=CCCNC1CCC1 2230a_100000749019_100000754431 [1,0,0,1,0,0|1,0,1]=4 9725 B9R1.17 C=CCCNC1CCC1 270004a_100015191253_100000241760 [1,0,0,1,0,0|1,0,1]=4 9726 B9R1.17 C=CCCNC1CCC1 34a_100000749019_100000754431 [1,0,0,1,0,0|1,0,1]=4 9727 B9R1.17 C=CCCNC1COC1 2230a_100016991112_100000754431 [1,0,0,1,0,0|2,0,0]=4 9728 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [1,0,0,1,0,0|1,0,1]=4 9729 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [1,0,0,1,0,0|1,0,1]=4 9730 B9R1.17 C=CCCOC1COC1 34a_100011205117_100009818527 [1,0,0,1,0,0|2,0,0]=4 9731 B9R1.17 C=CCCOC1CSC1 7a_100000072292_100000754431 [1,0,0,1,0,0|2,0,0]=4 9732 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [1,0,0,1,0,0|1,0,1]=4 9733 B9R1.17 C=CCCSC1COC1 62a_100000754431_100009818527 [1,0,0,1,0,0|2,0,0]=4 9734 B9R1.17 C=CCNCC1CCC1 2230a_100000738700_100000210623 [1,0,0,1,0,0|1,0,1]=4 9735 B9R1.17 C=CCNCC1CCC1 2230a_100020586998_100000763275 [1,0,0,1,0,0|1,0,1]=4 9736 B9R1.17 C=CCNCC1CCC1 34a_100000738700_100015514636 [1,0,0,1,0,0|1,0,1]=4 9737 B9R1.17 C=CCNCC1COC1 2230a_100015281925_100000210623 [1,0,0,1,0,0|2,0,0]=4 9738 B9R1.17 C=CCNCC1COC1 2230a_100020586998_100010264016 [1,0,0,1,0,0|2,0,0]=4 9739 B9R1.17 C=CCNCC1COC1 34a_100015281925_100015514636 [1,0,0,1,0,0|2,0,0]=4 9740 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [1,0,0,1,0,0|1,0,1]=4 9741 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [1,0,0,1,0,0|1,0,1]=4 9742 B9R1.17 C=CCOCC1CNC1 34a_100016987283_100015514636 [1,0,0,1,0,0|2,0,0]=4 9743 B9R1.17 C=CCOCC1COC1 34a_100000060846_100015514636 [1,0,0,1,0,0|2,0,0]=4 9744 B9R1.17 C=CCOCC1COC1 34a_200000210373_100010264016 [1,0,0,1,0,0|2,0,0]=4 9745 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [1,0,0,1,0,0|1,0,1]=4 9746 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [1,0,0,1,0,0|1,0,1]=4 9747 B9R1.17 C=CCSCC1COC1 62a_100000210623_100010264016 [1,0,0,1,0,0|2,0,0]=4 9748 B9R1.17 C=CCSCC1COC1 62a_100010264016_100000210623 [1,0,0,1,0,0|2,0,0]=4 9749 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [1,0,0,1,0,0|1,0,1]=4 9750 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [1,0,0,1,0,0|1,0,1]=4 9751 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [1,0,0,1,0,0|1,0,1]=4 9752 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [1,0,0,1,0,0|1,0,1]=4 9753 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [1,0,0,1,0,0|1,0,1]=4 9754 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [1,0,0,1,0,0|1,0,1]=4 9755 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [1,0,0,1,0,0|1,0,1]=4 9756 B9R1.39 C=CCOC1CCC1=O 34a_200000210373_100009892977 [1,0,0,1,0,0|1,0,0]=3 9757 B9R1.39 C=CCSC1CCC1=O 62a_100000210623_100009892977 [1,0,0,1,0,0|1,0,0]=3 9758 B9R1.39 C=CCSC1CCC1=O 62a_100009892977_100000210623 [1,0,0,1,0,0|1,0,0]=3 9759 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,1,0,0|1,0,1]=4 9760 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,1,0,0|1,0,1]=4 9761 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,1,0,0|1,0,1]=4 9762 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,1,0,0|1,0,1]=4 9763 B9R1.39 O=CCSC1CCC1=O 62a_100009892977_200015260668 [1,0,0,1,0,0|2,0,0]=4 9764 B9R1.39 O=CCSC1CCC1=O 62a_200015260668_100009892977 [1,0,0,1,0,0|2,0,0]=4 9765 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,1,0,0|1,0,1]=4 9766 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,1,0,0|1,0,1]=4 9767 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [1,0,0,1,0,0|1,0,1]=4 9768 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [1,0,0,1,0,0|1,0,1]=4 9769 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [1,0,0,1,0,0|1,0,1]=4 9770 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [1,0,0,1,0,0|1,0,1]=4 9771 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [1,0,0,1,0,0|1,0,1]=4 9772 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [1,0,0,1,0,0|1,0,1]=4 9773 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [1,0,0,1,0,0|1,0,1]=4 9774 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [1,0,0,1,0,0|1,0,1]=4 9775 B9R1.83 C=CCCNCC1CO1 2230a_100015191253_100011216344 [1,0,0,1,0,0|2,0,0]=4 9776 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [1,0,0,1,0,0|1,0,1]=4 9777 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [1,0,0,1,0,0|1,0,1]=4 9778 B9R1.83 C=CCCOCC1CO1 34a_100011205117_102125554688 [1,0,0,1,0,0|2,0,0]=4 9779 B9R1.83 C=CCCOC[C@@H]1CO1 34a_100000757423_100000754431 [1,0,0,1,0,0|2,0,0]=4 9780 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [1,0,0,1,0,0|1,0,1]=4 9781 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [1,0,0,1,0,0|1,0,1]=4 9782 B9R1.83 C=CCCSCC1CO1 62a_100000754431_102125554688 [1,0,0,1,0,0|2,0,0]=4 9783 B9R1.83 C=CCCSCC1CO1 62a_102125554688_100000754431 [1,0,0,1,0,0|2,0,0]=4 9784 B9R1.83 C=CCCSCC1CS1 62a_100000031435_100000754431 [1,0,0,1,0,0|2,0,0]=4 9785 B9R1.83 C=CCCSCC1CS1 62a_100000754431_100000031435 [1,0,0,1,0,0|2,0,0]=4 9786 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000745022_100000754431 [1,0,0,1,0,0|2,0,0]=4 9787 B9R1.83 C=CCCSC[C@@H]1CO1 62a_100000754431_100000745022 [1,0,0,1,0,0|2,0,0]=4 9788 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [1,0,0,1,0,0|1,0,1]=4 9789 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [1,0,0,1,0,0|1,0,1]=4 9790 B9R1.83 C=CCNCCC1CO1 2230a_100020586998_100000732470 [1,0,0,1,0,0|2,0,0]=4 9791 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [1,0,0,1,0,0|1,0,1]=4 9792 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [1,0,0,1,0,0|1,0,1]=4 9793 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [1,0,0,1,0,0|1,0,1]=4 9794 B9R1.83 C=CCOCCC1CO1 34a_200000210373_100000732470 [1,0,0,1,0,0|2,0,0]=4 9795 B9R1.83 C=CCOCC[C@@H]1CO1 34a_100009820653_100015514636 [1,0,0,1,0,0|2,0,0]=4 9796 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [1,0,0,1,0,0|1,0,1]=4 9797 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [1,0,0,1,0,0|1,0,1]=4 9798 B9R1.83 C=CCSCCC1CO1 62a_100000210623_100000732470 [1,0,0,1,0,0|2,0,0]=4 9799 B9R1.83 C=CCSCCC1CO1 62a_100000732470_100000210623 [1,0,0,1,0,0|2,0,0]=4 9800 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|1,0,1]=4 9801 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|1,0,1]=4 9802 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,1,0,0|0,0,1]=3 9803 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [1,0,0,1,0,0|1,0,1]=4 9804 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [1,0,0,1,0,0|1,0,1]=4 9805 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|0,0,0]=2 9806 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|0,0,1]=3 9807 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|0,0,1]=3 9808 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|1,0,0]=3 9809 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|1,0,1]=4 9810 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|1,0,1]=4 9811 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,1,0,0|1,0,1]=4 9812 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,1,0,0|1,0,1]=4 9813 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,1,0,0|1,0,1]=4 9814 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [1,0,0,1,0,0|2,0,0]=4 9815 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [1,0,0,1,0,0|2,0,0]=4 9816 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|0,0,2]=4 9817 B9R1.6 CN(C)C1C=CCCC1 2230a_100102631434_100000751183 [1,0,0,1,0,0|2,0,0]=4 9818 B9R1.6 CN(C)C1C=CCCC1 269982a_100102631434_100000751183 [1,0,0,1,0,0|2,0,0]=4 9819 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,1,0,0|0,0,1]=3 9820 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [1,0,0,1,0,0|1,0,1]=4 9821 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [1,0,0,1,0,0|1,0,1]=4 9822 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|0,0,1]=3 9823 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|1,0,0]=3 9824 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|1,0,1]=4 9825 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,1,0,0|1,0,1]=4 9826 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,1,0,0|1,0,1]=4 9827 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [1,0,0,1,0,0|2,0,0]=4 9828 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [1,0,0,1,0,0|2,0,0]=4 9829 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|0,0,2]=4 9830 B9R1.7 C=CCN1CNC(=O)C1 2230a_200000708111_100000210623 [1,0,0,1,0,0|2,0,0]=4 9831 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,1,0,0|1,0,1]=4 9832 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [1,0,0,1,0,0|2,0,0]=4 9833 B9R1.9 C=CCNC1CC(=C)C1 2230a_100132301982_100000210623 [1,0,0,1,0,0|2,0,0]=4 9834 B9R1.9 C=CCSC1CC(=O)C1 62a_100009894365_100000210623 [1,0,0,1,0,0|1,0,0]=3 9835 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [1,0,0,1,0,0|1,0,1]=4 9836 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [1,0,0,1,0,0|1,0,1]=4 9837 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [1,0,0,1,0,0|1,0,1]=4 9838 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [1,0,0,1,0,0|1,0,1]=4 9839 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [1,0,0,1,0,0|1,0,1]=4 9840 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [1,0,0,1,0,0|2,0,0]=4 9841 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [1,0,0,1,0,0|2,0,0]=4 9842 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [1,0,0,1,0,0|2,0,0]=4 9843 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [1,0,0,1,0,0|2,0,0]=4 9844 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [1,0,0,1,0,0|2,0,0]=4 9845 B9R1.9 O=CCSC1CC(=O)C1 62a_100009894365_200015260668 [1,0,0,1,0,0|2,0,0]=4 9846 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [1,0,0,1,0,0|0,0,1]=3 9847 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|0,0,0]=2 9848 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [1,0,0,1,0,0|0,0,2]=4 9849 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|0,0,1]=3 9850 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|0,0,1]=3 9851 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|1,0,0]=3 9852 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,1,0,0|1,0,1]=4 9853 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,1,0,0|1,0,1]=4 9854 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [1,0,0,1,0,0|2,0,0]=4 9855 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,1,0,0|1,0,1]=4 9856 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 9857 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 9858 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 9859 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,1,0,0|1,0,1]=4 9860 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [1,0,0,1,0,0|0,0,1]=3 9861 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|0,0,0]=2 9862 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [1,0,0,1,0,0|0,0,2]=4 9863 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|0,0,1]=3 9864 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,1,0,0|1,0,1]=4 9865 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,1,0,0|1,0,1]=4 9866 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|1,0,0]=3 9867 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|0,0,1]=3 9868 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [1,0,0,1,0,0|2,0,0]=4 9869 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|1,0,1]=4 9870 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|1,0,1]=4 9871 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|1,0,1]=4 9872 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|1,0,1]=4 9873 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|1,0,1]=4 9874 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,1,0,0|1,0,1]=4 9875 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|0,0,1]=3 9876 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,1,0,0|1,0,1]=4 9877 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [1,0,0,1,0,0|1,0,1]=4 9878 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [1,0,0,1,0,0|1,0,1]=4 9879 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 9880 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 9881 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 9882 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [1,0,0,1,0,0|1,0,1]=4 9883 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 9884 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 9885 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 9886 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [1,0,0,1,0,0|2,0,0]=4 9887 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [1,0,0,1,0,0|1,0,0]=3 9888 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [1,0,0,1,0,0|1,0,1]=4 9889 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [1,0,0,1,0,0|1,0,1]=4 9890 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [1,0,0,1,0,0|1,0,1]=4 9891 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [1,0,0,1,0,0|2,0,0]=4 9892 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [1,0,0,1,0,0|1,0,1]=4 9893 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [1,0,0,1,0,0|1,0,1]=4 9894 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [1,0,0,1,0,0|1,0,1]=4 9895 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [1,0,0,1,0,0|1,0,1]=4 9896 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [1,0,0,1,0,0|1,0,1]=4 9897 B11R1.15 C=CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210623 [0,1,0,1,0,0|1,0,1]=4 9898 B11R1.15 C=CCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210623 [0,1,0,1,0,0|1,0,1]=4 9899 B11R1.15 C=CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210623 [0,1,0,1,0,0|1,0,1]=4 9900 B11R1.90 C=C(C)COC1CCCC1=O 34a_100000210245_100000709159 [0,1,0,1,0,0|2,0,0]=4 9901 B11R1.90 C=C(C)COC1CCCC1=O 34a_200000719330_100000748629 [0,1,0,1,0,0|2,0,0]=4 9902 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000211823_100000211660 [0,1,0,1,0,0|2,0,0]=4 9903 B11R1.90 C=C(C)CSC1CCCC1=O 62a_100000748629_100000211823 [0,1,0,1,0,0|2,0,0]=4 9904 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,1,0,1,0,0|0,0,2]=4 9905 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|1,0,0]=3 9906 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [0,1,0,1,0,0|1,0,0]=3 9907 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [0,1,0,1,0,0|1,0,0]=3 9908 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,1,0,1,0,0|0,0,2]=4 9909 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,1,0,1,0,0|0,0,2]=4 9910 B11R1.90 CC(=O)CCN1CCNC1=O 1458a_100000070787_100000090651 [0,1,0,1,0,0|2,0,0]=4 9911 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,1,0,1,0,0|2,0,0]=4 9912 B11R1.90 CC(=O)COC1CCCC1=O 34a_100000211253_100000709159 [0,1,0,1,0,0|1,0,0]=3 9913 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,1,0,1,0,0|2,0,0]=4 9914 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,1,0,1,0,0|1,0,1]=4 9915 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,1,0,1,0,0|1,0,1]=4 9916 B11R1.90 NC(=O)CNC1CCCC1=O 2230a_100000711301_100000211823 [0,1,0,1,0,0|2,0,0]=4 9917 B11R1.90 NC(=O)COC1CCCC1=O 34a_200000719330_100000187820 [0,1,0,1,0,0|2,0,0]=4 9918 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000211823_100000747473 [0,1,0,1,0,0|2,0,0]=4 9919 B11R1.90 NC(=O)CSC1CCCC1=O 62a_100000747473_100000211823 [0,1,0,1,0,0|2,0,0]=4 9920 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,1,0,1,0,0|2,0,0]=4 9921 B11R1.90 O=C([O-])COC1CCCC1=O 34a_200000719330_100020667443 [0,1,0,1,0,0|2,0,0]=4 9922 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100000211823_100020667443 [0,1,0,1,0,0|2,0,0]=4 9923 B11R1.90 O=C([O-])CSC1CCCC1=O 62a_100020667443_100000211823 [0,1,0,1,0,0|2,0,0]=4 9924 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|1,0,0]=3 9925 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [0,1,0,1,0,0|1,0,0]=3 9926 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,1,0,1,0,0|2,0,0]=4 9927 B11R1.120 C=CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210623 [0,1,0,1,0,0|2,0,0]=4 9928 B11R1.120 C=CCN1CC(C1)OC(=O)C 269982a_100016994906_100000210623 [0,1,0,1,0,0|2,0,0]=4 9929 B11R1.124 C=CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210623 [0,1,0,1,0,0|2,0,0]=4 9930 B11R1.124 C=CCN1CCC(C1)C(=O)N 269982a_100000752358_100000210623 [0,1,0,1,0,0|2,0,0]=4 9931 B11R1.124 C=CCN1CCC(C1)C(=O)N 34a_100000752358_100015514636 [0,1,0,1,0,0|2,0,0]=4 9932 B11R1.135 C=CCN1CCNC(=O)CC1 2230a_100000698595_100000210623 [0,1,0,1,0,0|2,0,0]=4 9933 B11R1.135 C=CCN1CCNC(=O)CC1 269982a_100000698595_100000210623 [0,1,0,1,0,0|2,0,0]=4 9934 B11R1.154 C=C(C)CCNC1CC(=C)C1 2230a_100132301982_100000730704 [0,1,0,1,0,0|2,0,0]=4 9935 B11R1.154 C=C(C)CCSC1CC(=O)C1 62a_100009894365_100000730704 [0,1,0,1,0,0|1,0,0]=3 9936 B11R1.154 C=C(C)CNCC1CC(=C)C1 2230a_100102567296_100000748629 [0,1,0,1,0,0|2,0,0]=4 9937 B11R1.154 C=C(C)CNCC1CC(=C)C1 34a_100102567296_100000748629 [0,1,0,1,0,0|2,0,0]=4 9938 B11R1.154 C=C(C)COCC1CC(=C)C1 34a_100011011225_100000748629 [0,1,0,1,0,0|2,0,0]=4 9939 B11R1.154 C=C(C)COCC1CC(=O)C1 34a_100000101936_100000748629 [0,1,0,1,0,0|1,0,0]=3 9940 B11R1.154 C=C(C)CSCC1CC(=O)C1 62a_100000748629_100009874392 [0,1,0,1,0,0|1,0,0]=3 9941 B11R1.154 C=C(C)CSCC1CC(=O)C1 62a_100009874392_100000211660 [0,1,0,1,0,0|1,0,0]=3 9942 B11R1.154 C=C(F)CNCC1CC(=C)C1 2230a_100102567296_100009893438 [0,1,0,1,0,0|2,0,0]=4 9943 B11R1.154 C=C(F)CNCC1CC(=C)C1 34a_100102567296_100009893438 [0,1,0,1,0,0|2,0,0]=4 9944 B11R1.154 C=C(F)COCC1CC(=C)C1 34a_100011011225_100009893438 [0,1,0,1,0,0|2,0,0]=4 9945 B11R1.154 C=C(F)COCC1CC(=O)C1 34a_100000101936_100009893438 [0,1,0,1,0,0|1,0,0]=3 9946 B11R1.154 C=C(F)CSCC1CC(=O)C1 62a_100000042424_100009874392 [0,1,0,1,0,0|1,0,0]=3 9947 B11R1.154 C=C(F)CSCC1CC(=O)C1 62a_100009874392_100000042424 [0,1,0,1,0,0|1,0,0]=3 9948 B11R1.154 C=C1CC(C1)CNCC(=O)N 2230a_100102567296_100000747473 [0,1,0,1,0,0|2,0,0]=4 9949 B11R1.154 C=C1CC(C1)CNCC(=O)N 34a_100102567296_100000187820 [0,1,0,1,0,0|2,0,0]=4 9950 B11R1.154 C=C1CC(C1)CNCC(=O)[O-] 34a_100102567296_100020667443 [0,1,0,1,0,0|2,0,0]=4 9951 B11R1.154 C=C1CC(C1)COCC(=O)N 34a_100011011225_100000187820 [0,1,0,1,0,0|2,0,0]=4 9952 B11R1.154 C=C1CC(C1)COCC(=O)[O-] 34a_100011011225_100020667443 [0,1,0,1,0,0|2,0,0]=4 9953 B11R1.154 C=C1CC(C1)NCCC(=O)N 2230a_100132301982_100000744528 [0,1,0,1,0,0|2,0,0]=4 9954 B11R1.154 CC(=O)CCSC1CC(=O)C1 62a_100009894365_100000053229 [0,1,0,1,0,0|1,0,1]=4 9955 B11R1.154 NC(=O)CCSC1CC(=O)C1 62a_100009894365_100000744528 [0,1,0,1,0,0|2,0,0]=4 9956 B11R1.154 NC(=O)CNCC1CC(=O)C1 2230a_100000711301_100009874392 [0,1,0,1,0,0|2,0,0]=4 9957 B11R1.154 NC(=O)COCC1CC(=O)C1 34a_100000101936_100000187820 [0,1,0,1,0,0|2,0,0]=4 9958 B11R1.154 NC(=O)CSCC1CC(=O)C1 62a_100000747473_100009874392 [0,1,0,1,0,0|2,0,0]=4 9959 B11R1.154 NC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747473 [0,1,0,1,0,0|2,0,0]=4 9960 B11R1.154 O=C(O)CNCC1CC(=O)C1 269956a_100016091260_100009874392 [0,1,0,1,0,0|2,0,0]=4 9961 B11R1.154 O=C([O-])COCC1CC(=O)C1 34a_100000101936_100020667443 [0,1,0,1,0,0|2,0,0]=4 9962 B11R1.154 O=C([O-])CSCC1CC(=O)C1 62a_100009874392_100020667443 [0,1,0,1,0,0|2,0,0]=4 9963 B11R1.154 O=C([O-])CSCC1CC(=O)C1 62a_100020667443_100009874392 [0,1,0,1,0,0|2,0,0]=4 9964 B11R1.157 C=C(C)CN1CCNC(=O)C1 2230a_100000184651_100000748629 [0,1,0,1,0,0|2,0,0]=4 9965 B11R1.157 C=C(C)CN1CCOC(=O)C1 2230a_100000131268_100000748629 [0,1,0,1,0,0|2,0,0]=4 9966 B11R1.157 C=C(F)CN1CCNC(=O)C1 2230a_100000184651_100009893438 [0,1,0,1,0,0|2,0,0]=4 9967 B11R1.157 C=C(F)CN1CCOC(=O)C1 2230a_100000131268_100009893438 [0,1,0,1,0,0|2,0,0]=4 9968 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,1,0,1,0,0|0,0,2]=4 9969 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,1,0,1,0,0|1,0,1]=4 9970 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,1,0,1,0,0|0,0,2]=4 9971 B11R1.172 C=C(C)CCNC1CC=CC1 2230a_100015188752_100000730704 [0,1,0,1,0,0|2,0,0]=4 9972 B11R1.172 C=C(C)COCC1CC=CC1 34a_100000688395_100000748629 [0,1,0,1,0,0|2,0,0]=4 9973 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,1,0,1,0,0|0,0,2]=4 9974 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,1,0,1,0,0|1,0,1]=4 9975 B11R1.172 CC(=O)CCCN1CC=CC1 269982a_100015195280_100011215641 [0,1,0,1,0,0|1,0,0]=3 9976 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,1,0,1,0,0|0,0,2]=4 9977 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,1,0,1,0,0|0,0,2]=4 9978 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,1,0,1,0,0|0,0,2]=4 9979 B11R1.172 CC(=O)CCCN1CCSC1 269982a_100011215254_100011215641 [0,1,0,1,0,0|1,0,1]=4 9980 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,1,0,1,0,0|0,0,2]=4 9981 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,1,0,1,0,0|0,0,2]=4 9982 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,1,0,1,0,0|0,0,2]=4 9983 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,1,0,1,0,0|0,0,2]=4 9984 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,1,0,1,0,0|1,0,1]=4 9985 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,1,0,1,0,0|1,0,1]=4 9986 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000070787_100000756272 [0,1,0,1,0,0|1,0,1]=4 9987 B11R1.172 CC(=O)CCCn1ccnc1 1458a_100000748695_200000210301 [0,1,0,1,0,0|1,0,1]=4 9988 B11R1.172 CC(=O)CCCn1cncn1 1458a_100000070787_100102700105 [0,1,0,1,0,0|2,0,0]=4 9989 B11R1.172 CC(=O)CCCn1cncn1 1458a_100015186313_200000210301 [0,1,0,1,0,0|2,0,0]=4 9990 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,1,0,1,0,0|0,0,2]=4 9991 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,1,0,1,0,0|0,0,2]=4 9992 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,1,0,1,0,0|0,0,2]=4 9993 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,1,0,1,0,0|1,0,1]=4 9994 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,1,0,1,0,0|1,0,1]=4 9995 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [0,1,0,1,0,0|1,0,1]=4 9996 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,1,0,1,0,0|0,0,2]=4 9997 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,1,0,1,0,0|0,0,2]=4 9998 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [0,1,0,1,0,0|1,0,1]=4 9999 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,1,0,1,0,0|0,0,2]=4 10000 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,1,0,1,0,0|1,0,1]=4 10001 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,1,0,1,0,0|1,0,1]=4 10002 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,1,0,1,0,0|1,0,1]=4 10003 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,1,0,1,0,0|0,0,2]=4 10004 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,1,0,1,0,0|0,0,2]=4 10005 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,1,0,1,0,0|0,0,2]=4 10006 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,1,0,1,0,0|0,0,2]=4 10007 B11R1.172 CC(=O)NCCN1CC=CC1 269982a_100015195280_100000189650 [0,1,0,1,0,0|2,0,0]=4 10008 B11R1.172 CC(=O)OCCN1CC=CC1 269982a_100015195280_100009814007 [0,1,0,1,0,0|2,0,0]=4 10009 B11R1.172 NC(=O)CCCN1CC=CC1 269982a_100015195280_100102525003 [0,1,0,1,0,0|2,0,0]=4 10010 B11R1.172 NC(=O)CCNC1CC=CC1 2230a_100015188752_100000744528 [0,1,0,1,0,0|2,0,0]=4 10011 B11R1.172 NC(=O)COCC1CC=CC1 34a_100000688395_100000187820 [0,1,0,1,0,0|2,0,0]=4 10012 B11R1.172 O=C([O-])COCC1CC=CC1 34a_100000688395_100020667443 [0,1,0,1,0,0|2,0,0]=4 10013 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,1,0,1,0,0|0,0,2]=4 10014 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,1,0,1,0,0|0,0,2]=4 10015 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,1,0,1,0,0|0,0,2]=4 10016 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,1,0,1,0,0|1,0,1]=4 10017 B11R1.172 [13CH3]C(=O)CCCn1ccnc1 1458a_100000748695_200025704644 [0,1,0,1,0,0|1,0,1]=4 10018 B11R1.172 [13CH3]C(=O)CCCn1cncn1 1458a_100015186313_200025704644 [0,1,0,1,0,0|2,0,0]=4 10019 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,1,0,1,0,0|1,0,1]=4 10020 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,1,0,1,0,0|1,0,1]=4 10021 B11R1.201 C=CCC(=O)CC1CC(=O)C1 1458a_100000210193_100009874392 [0,1,0,1,0,0|0,0,1]=3 10022 B11R1.201 C=CCN(C)CC1CC(=O)C1 2230a_100000225617_100009874392 [0,1,0,1,0,0|1,0,0]=3 10023 B11R1.201 C=CCN(C)CC1CC(=O)C1 269982a_100000225617_100009874392 [0,1,0,1,0,0|1,0,0]=3 10024 B11R1.645 CC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_200000210301 [0,1,0,1,0,0|2,0,0]=4 10025 B11R1.645 [13CH3]C(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_200025704644 [0,1,0,1,0,0|2,0,0]=4 10026 B11R1.24 C#CCOC1CCCC(=O)C1 34a_100012613340_100000184674 [0,1,0,1,0,0|0,0,2]=4 10027 B11R1.24 C=CCCN1CCC=C(C1)C 2230a_100000725631_100000754431 [0,1,0,1,0,0|1,0,1]=4 10028 B11R1.24 C=CCCN1CCC=C(C1)C 269982a_100000725631_100000754431 [0,1,0,1,0,0|1,0,1]=4 10029 B11R1.24 C=CCCN1CCC=C(C1)C 34a_100000725631_100000754431 [0,1,0,1,0,0|1,0,1]=4 10030 B11R1.24 C=CCCN1CCCC(C1)F 2230a_100000697950_100000754431 [0,1,0,1,0,0|1,0,1]=4 10031 B11R1.24 C=CCCN1CCCC(C1)F 269982a_100000697950_100000754431 [0,1,0,1,0,0|1,0,1]=4 10032 B11R1.24 C=CCCN1CCCC(C1)F 34a_100000697950_100000754431 [0,1,0,1,0,0|1,0,1]=4 10033 B11R1.24 C=CCCN1CCCC(C1)O 2230a_100000211013_100000754431 [0,1,0,1,0,0|0,0,2]=4 10034 B11R1.24 C=CCCN1CCCC(C1)O 269982a_100000211013_100000754431 [0,1,0,1,0,0|0,0,2]=4 10035 B11R1.24 C=CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000754431 [0,1,0,1,0,0|1,0,1]=4 10036 B11R1.24 C=CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000754431 [0,1,0,1,0,0|1,0,1]=4 10037 B11R1.24 C=CCCN1CCC[C@@H](C1)C 34a_100000717927_100000754431 [0,1,0,1,0,0|1,0,1]=4 10038 B11R1.24 C=CCCN1CCNC(=O)C1 2230a_100000184651_100000754431 [0,1,0,1,0,0|1,0,0]=3 10039 B11R1.24 C=CCCN1CCOC(=O)C1 2230a_100000131268_100000754431 [0,1,0,1,0,0|1,0,0]=3 10040 B11R1.24 C=CCNC1CCCC(C1)C 2230a_100011194320_100000210623 [0,1,0,1,0,0|1,0,1]=4 10041 B11R1.24 C=CCNC1CCCC(C1)C 270004a_100020586998_100000183594 [0,1,0,1,0,0|1,0,1]=4 10042 B11R1.24 C=CCNC1CCCC(C1)C 34a_100011194320_100015514636 [0,1,0,1,0,0|1,0,1]=4 10043 B11R1.24 C=CCNC1CCCC(C1)O 2230a_100015190357_100000210623 [0,1,0,1,0,0|0,0,2]=4 10044 B11R1.24 C=CCNC1CCCC(C1)O 270004a_100020586998_100012613340 [0,1,0,1,0,0|0,0,2]=4 10045 B11R1.24 C=CCNC1CCNC(=O)C1 2230a_100016994916_100000210623 [0,1,0,1,0,0|1,0,0]=3 10046 B11R1.24 C=CCNC1CCNC(=O)C1 34a_100016994916_100015514636 [0,1,0,1,0,0|1,0,0]=3 10047 B11R1.24 C=CCOC1C=C(CCC1)C 34a_100011218613_100015514636 [0,1,0,1,0,0|1,0,0]=3 10048 B11R1.24 C=CCOC1CCCC(=O)C1 34a_100012613340_100015514636 [0,1,0,1,0,0|0,0,0]=2 10049 B11R1.24 C=CCOC1CCCC(C1)C 34a_100000211399_100015514636 [0,1,0,1,0,0|1,0,1]=4 10050 B11R1.24 C=CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100015514636 [0,1,0,1,0,0|1,0,0]=3 10051 B11R1.24 CC1=CC(CCC1)OCC=O 34a_100011218613_200009817547 [0,1,0,1,0,0|2,0,0]=4 10052 B11R1.24 CC=CCN1CCNC(=O)C1 2230a_100000184651_100000070051 [0,1,0,1,0,0|2,0,0]=4 10053 B11R1.24 CC=CCN1CCOC(=O)C1 2230a_100000131268_100000070051 [0,1,0,1,0,0|2,0,0]=4 10054 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,1,0,0|0,0,2]=4 10055 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,1,0,1,0,0|1,0,1]=4 10056 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,1,0,1,0,0|1,0,1]=4 10057 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,1,0,0|1,0,1]=4 10058 B11R1.24 O=CCNC1CCNC(=O)C1 2230a_100016994916_200015260668 [0,1,0,1,0,0|2,0,0]=4 10059 B11R1.24 O=CCNC1CCNC(=O)C1 34a_100016994916_200009817547 [0,1,0,1,0,0|2,0,0]=4 10060 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [0,1,0,1,0,0|1,0,0]=3 10061 B11R1.24 O=CCO[C@@H]1CCNC(=O)C1 34a_100015189427_200009817547 [0,1,0,1,0,0|2,0,0]=4 10062 B11R1.27 C#CCCOC1CCC(=O)C1 34a_100012614533_100000688953 [0,1,0,1,0,0|0,0,2]=4 10063 B11R1.27 C/C=C/COC1CCC(=O)C1 34a_100012614533_100102629194 [0,1,0,1,0,0|1,0,0]=3 10064 B11R1.27 C/C=C/COC1CNC(=O)C1 34a_100000690082_100102629194 [0,1,0,1,0,0|2,0,0]=4 10065 B11R1.27 C=CCCCN1CCC(C1)O 2230a_100011215560_100011713584 [0,1,0,1,0,0|0,0,2]=4 10066 B11R1.27 C=CCCCN1CCC(C1)O 269982a_100011215560_100000757094 [0,1,0,1,0,0|0,0,2]=4 10067 B11R1.27 C=CCCCN1CC[C@@H](C1)F 2230a_100015203821_100011713584 [0,1,0,1,0,0|1,0,1]=4 10068 B11R1.27 C=CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000757094 [0,1,0,1,0,0|1,0,1]=4 10069 B11R1.27 C=CCCCN1CC[C@@H](C1)F 34a_100015203821_100000757094 [0,1,0,1,0,0|1,0,1]=4 10070 B11R1.27 C=CCCCN1CC[C@H](C1)C 2230a_100016987628_100011713584 [0,1,0,1,0,0|1,0,1]=4 10071 B11R1.27 C=CCCCN1CC[C@H](C1)C 269982a_100016987628_100000757094 [0,1,0,1,0,0|1,0,1]=4 10072 B11R1.27 C=CCCCN1CC[C@H](C1)C 34a_100016987628_100000757094 [0,1,0,1,0,0|1,0,1]=4 10073 B11R1.27 C=CCCCN1CNC(=O)C1 2230a_200000708111_100011713584 [0,1,0,1,0,0|1,0,0]=3 10074 B11R1.27 C=CCCNC1CCC(C1)C 270004a_100015191253_100011215218 [0,1,0,1,0,0|1,0,1]=4 10075 B11R1.27 C=CCCNC1CCC(C1)O 270004a_100015191253_100012614533 [0,1,0,1,0,0|0,0,2]=4 10076 B11R1.27 C=CCCNC1CNC(=O)C1 2230a_100000697751_100000754431 [0,1,0,1,0,0|1,0,0]=3 10077 B11R1.27 C=CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000754431 [0,1,0,1,0,0|0,0,2]=4 10078 B11R1.27 C=CCCOC1CCC(=O)C1 34a_100012614533_100000754431 [0,1,0,1,0,0|0,0,0]=2 10079 B11R1.27 C=CCCOC1CCC(C1)C 34a_100000698185_100000754431 [0,1,0,1,0,0|1,0,1]=4 10080 B11R1.27 C=CCCOC1CNC(=O)C1 34a_100000690082_100000754431 [0,1,0,1,0,0|1,0,0]=3 10081 B11R1.27 C=CCCOC1COC(=O)O1 34a_100011205117_100000032252 [0,1,0,1,0,0|2,0,0]=4 10082 B11R1.27 C=CCCSC1CCN(C1)C 62a_100000754431_200012183744 [0,1,0,1,0,0|2,0,0]=4 10083 B11R1.27 C=CCCSC1COC(=O)O1 62a_100000754431_100000032252 [0,1,0,1,0,0|2,0,0]=4 10084 B11R1.27 C=CCNCC1CNC(=O)C1 2230a_100016993742_100000210623 [0,1,0,1,0,0|1,0,0]=3 10085 B11R1.27 C=CCNCC1CNC(=O)C1 34a_100016993742_100015514636 [0,1,0,1,0,0|1,0,0]=3 10086 B11R1.27 C=CCNCC1CNC(=O)O1 2230a_100020586998_100000181169 [0,1,0,1,0,0|2,0,0]=4 10087 B11R1.27 C=CCNC[C@@H]1CCC(=O)N1 2230a_100020586998_100015189358 [0,1,0,1,0,0|1,0,0]=3 10088 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210623 [0,1,0,1,0,0|1,0,0]=3 10089 B11R1.27 C=CCNC[C@H]1CCC(=O)N1 34a_100015423886_100015514636 [0,1,0,1,0,0|1,0,0]=3 10090 B11R1.27 C=CCNC[C@H]1COC(=O)N1 2230a_100020586998_100015307671 [0,1,0,1,0,0|2,0,0]=4 10091 B11R1.27 C=CCOCC1CCC(=O)N1 34a_100000737831_100015514636 [0,1,0,1,0,0|1,0,0]=3 10092 B11R1.27 C=CCOCC1CCN(C1)C 34a_200000210373_200000690779 [0,1,0,1,0,0|2,0,0]=4 10093 B11R1.27 C=CCOCC1CNC(=O)C1 34a_100016041077_100015514636 [0,1,0,1,0,0|1,0,0]=3 10094 B11R1.27 C=CCOCC1CNC(=O)O1 34a_100011315639_100015514636 [0,1,0,1,0,0|2,0,0]=4 10095 B11R1.27 C=CCOCC1CNC(=O)O1 34a_200000210373_100000181169 [0,1,0,1,0,0|2,0,0]=4 10096 B11R1.27 C=CCOCC1COC(=O)O1 34a_200000210373_100000073702 [0,1,0,1,0,0|2,0,0]=4 10097 B11R1.27 C=CCOC[C@H]1COC(=O)N1 34a_200000210373_100015307671 [0,1,0,1,0,0|2,0,0]=4 10098 B11R1.27 C=CCSCC1CCN(C1)C 62a_100000210623_200000690779 [0,1,0,1,0,0|2,0,0]=4 10099 B11R1.27 C=CCSCC1CCN(C1)C 62a_200000690779_100000210623 [0,1,0,1,0,0|2,0,0]=4 10100 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000181169_100000210623 [0,1,0,1,0,0|2,0,0]=4 10101 B11R1.27 C=CCSCC1CNC(=O)O1 62a_100000210623_100000181169 [0,1,0,1,0,0|2,0,0]=4 10102 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000073702_100000210623 [0,1,0,1,0,0|2,0,0]=4 10103 B11R1.27 C=CCSCC1COC(=O)O1 62a_100000210623_100000073702 [0,1,0,1,0,0|2,0,0]=4 10104 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100000210623_100015189358 [0,1,0,1,0,0|1,0,0]=3 10105 B11R1.27 C=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210623 [0,1,0,1,0,0|1,0,0]=3 10106 B11R1.27 C=CCSC[C@H]1COC(=O)N1 62a_100000210623_100015307671 [0,1,0,1,0,0|2,0,0]=4 10107 B11R1.27 C=CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210623 [0,1,0,1,0,0|2,0,0]=4 10108 B11R1.27 C=COCCN1CNC(=O)C1 2230a_200000708111_100000039644 [0,1,0,1,0,0|2,0,0]=4 10109 B11R1.27 CC=CCNC1CNC(=O)C1 2230a_100000697751_100000070051 [0,1,0,1,0,0|2,0,0]=4 10110 B11R1.27 CC=CCOC1CCC(=O)C1 34a_100012614533_100000070051 [0,1,0,1,0,0|1,0,0]=3 10111 B11R1.27 CC=CCOC1CNC(=O)C1 34a_100000690082_100000070051 [0,1,0,1,0,0|2,0,0]=4 10112 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,1,0,1,0,0|0,0,2]=4 10113 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,1,0,1,0,0|1,0,1]=4 10114 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,1,0,1,0,0|1,0,1]=4 10115 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,1,0,1,0,0|1,0,1]=4 10116 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,1,0,1,0,0|1,0,1]=4 10117 B11R1.27 O=CCCCN1CNC(=O)C1 2230a_200000708111_200011292268 [0,1,0,1,0,0|2,0,0]=4 10118 B11R1.27 O=CCNCC1CNC(=O)C1 2230a_100016993742_200015260668 [0,1,0,1,0,0|2,0,0]=4 10119 B11R1.27 O=CCNCC1CNC(=O)C1 34a_100016993742_200009817547 [0,1,0,1,0,0|2,0,0]=4 10120 B11R1.27 O=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_200015260668 [0,1,0,1,0,0|2,0,0]=4 10121 B11R1.27 O=CCNC[C@H]1CCC(=O)N1 34a_100015423886_200009817547 [0,1,0,1,0,0|2,0,0]=4 10122 B11R1.27 O=CCOCC1CCC(=O)N1 34a_100000737831_200009817547 [0,1,0,1,0,0|2,0,0]=4 10123 B11R1.27 O=CCOCC1CNC(=O)C1 34a_100016041077_200009817547 [0,1,0,1,0,0|2,0,0]=4 10124 B11R1.27 O=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_200015260668 [0,1,0,1,0,0|2,0,0]=4 10125 B11R1.27 O=CCSC[C@@H]1CCC(=O)N1 62a_200015260668_100015189358 [0,1,0,1,0,0|2,0,0]=4 10126 B11R1.46 C=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215482 [0,1,0,1,0,0|1,0,1]=4 10127 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215482 [0,1,0,1,0,0|1,0,1]=4 10128 B11R1.46 C=CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215482 [0,1,0,1,0,0|1,0,1]=4 10129 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [0,1,0,1,0,0|1,0,1]=4 10130 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [0,1,0,1,0,0|1,0,1]=4 10131 B11R1.53 C#CC1CCCCN1C(=O)C 11a_200020621307_100015343762 [0,1,0,1,0,0|0,0,2]=4 10132 B11R1.53 C#CC1CCCCN1C(=O)C 1626a_200020621307_100015343762 [0,1,0,1,0,0|0,0,2]=4 10133 B11R1.53 C#CC1CCCCN1C(=O)C 240690a_200020621307_100015343762 [0,1,0,1,0,0|0,0,2]=4 10134 B11R1.53 C#CC1CCCCN1C(=O)C 527a_200020621307_100103153847 [0,1,0,1,0,0|0,0,2]=4 10135 B11R1.53 CC(=O)N1CCCCC1C#N 11a_100016989756_100015343762 [0,1,0,1,0,0|1,0,1]=4 10136 B11R1.53 CC(=O)N1CCCCC1C#N 1626a_100016989756_100015343762 [0,1,0,1,0,0|1,0,1]=4 10137 B11R1.53 CC(=O)N1CCCCC1C#N 240690a_100016989756_100015343762 [0,1,0,1,0,0|1,0,1]=4 10138 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,1,0,1,0,0|1,0,1]=4 10139 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,1,0,1,0,0|0,0,2]=4 10140 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,1,0,1,0,0|0,0,2]=4 10141 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,1,0,1,0,0|0,0,2]=4 10142 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,1,0,1,0,0|0,0,2]=4 10143 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,1,0,1,0,0|0,0,2]=4 10144 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,1,0,1,0,0|0,0,2]=4 10145 B11R1.78 C#CCCCSC1CC(=O)C1 62a_100009894365_100011215417 [0,1,0,1,0,0|0,0,2]=4 10146 B11R1.78 C#CCCOCC1CC(=O)C1 34a_100000101936_100000688953 [0,1,0,1,0,0|0,0,2]=4 10147 B11R1.78 C#CCCSCC1CC(=O)C1 62a_100000688953_100009874392 [0,1,0,1,0,0|0,0,2]=4 10148 B11R1.78 C#CCCSCC1CC(=O)C1 62a_100009874392_100000688953 [0,1,0,1,0,0|0,0,2]=4 10149 B11R1.78 C/C=C/COCC1CC(=O)C1 34a_100000101936_100102629194 [0,1,0,1,0,0|1,0,0]=3 10150 B11R1.78 C/C=C/CSCC1CC(=O)C1 62a_100009874392_100102629194 [0,1,0,1,0,0|1,0,0]=3 10151 B11R1.78 C/C=C/CSCC1CC(=O)C1 62a_100102629194_100009874392 [0,1,0,1,0,0|1,0,0]=3 10152 B11R1.78 C=C1CC(C1)CNC/C=C/C 34a_100102567296_100102629194 [0,1,0,1,0,0|2,0,0]=4 10153 B11R1.78 C=C1CC(C1)CNCC=CC 2230a_100102567296_100000070051 [0,1,0,1,0,0|2,0,0]=4 10154 B11R1.78 C=C1CC(C1)CNCC=CC 34a_100102567296_100000070051 [0,1,0,1,0,0|2,0,0]=4 10155 B11R1.78 C=C1CC(C1)COC/C=C/C 34a_100011011225_100102629194 [0,1,0,1,0,0|2,0,0]=4 10156 B11R1.78 C=C1CC(C1)COCC=CC 34a_100011011225_100000070051 [0,1,0,1,0,0|2,0,0]=4 10157 B11R1.78 C=C1CC(C1)NCCCC=O 2230a_100132301982_200011292268 [0,1,0,1,0,0|2,0,0]=4 10158 B11R1.78 C=CCCCCN1CC(C1)C 2230a_100000702820_100011215482 [0,1,0,1,0,0|1,0,1]=4 10159 B11R1.78 C=CCCCCN1CC(C1)C 269982a_100000702820_100011215482 [0,1,0,1,0,0|1,0,1]=4 10160 B11R1.78 C=CCCCCN1CC(C1)C 34a_100000702820_100011215482 [0,1,0,1,0,0|1,0,1]=4 10161 B11R1.78 C=CCCCCN1CC(C1)F 2230a_100000690557_100011215482 [0,1,0,1,0,0|1,0,1]=4 10162 B11R1.78 C=CCCCCN1CC(C1)F 269982a_100000690557_100011215482 [0,1,0,1,0,0|1,0,1]=4 10163 B11R1.78 C=CCCCCN1CC(C1)F 34a_100000690557_100011215482 [0,1,0,1,0,0|1,0,1]=4 10164 B11R1.78 C=CCCCCN1CC(C1)O 269982a_100000749847_100011215482 [0,1,0,1,0,0|0,0,2]=4 10165 B11R1.78 C=CCCCNC1CC(=C)C1 2230a_100132301982_100011713584 [0,1,0,1,0,0|1,0,0]=3 10166 B11R1.78 C=CCCCNC1CC(C1)F 2230a_100016993743_100011713584 [0,1,0,1,0,0|1,0,1]=4 10167 B11R1.78 C=CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011713584 [0,1,0,1,0,0|0,0,2]=4 10168 B11R1.78 C=CCCCSC1CC(=O)C1 62a_100009894365_100000757094 [0,1,0,1,0,0|0,0,0]=2 10169 B11R1.78 C=CCCNCC1CC(=C)C1 2230a_100102567296_100000754431 [0,1,0,1,0,0|1,0,0]=3 10170 B11R1.78 C=CCCNCC1CC(=C)C1 34a_100102567296_100000754431 [0,1,0,1,0,0|1,0,0]=3 10171 B11R1.78 C=CCCNCC1CC(=O)C1 2230a_100015191253_100009874392 [0,1,0,1,0,0|0,0,0]=2 10172 B11R1.78 C=CCCNCC1CC(C1)O 2230a_100016992100_100000754431 [0,1,0,1,0,0|0,0,2]=4 10173 B11R1.78 C=CCCOCC1CC(=C)C1 34a_100011011225_100000754431 [0,1,0,1,0,0|1,0,0]=3 10174 B11R1.78 C=CCCOCC1CC(=O)C1 34a_100000101936_100000754431 [0,1,0,1,0,0|0,0,0]=2 10175 B11R1.78 C=CCCOCC1CC(C1)Cl 34a_100009874164_100000754431 [0,1,0,1,0,0|1,0,1]=4 10176 B11R1.78 C=CCCSCC1CC(=O)C1 62a_100000754431_100009874392 [0,1,0,1,0,0|0,0,0]=2 10177 B11R1.78 C=CCCSCC1CC(=O)C1 62a_100009874392_100000754431 [0,1,0,1,0,0|0,0,0]=2 10178 B11R1.78 C=COCCNC1CC(=C)C1 2230a_100132301982_100000039644 [0,1,0,1,0,0|2,0,0]=4 10179 B11R1.78 C=COCCSC1CC(=O)C1 62a_100009894365_100000039644 [0,1,0,1,0,0|1,0,0]=3 10180 B11R1.78 CC=CCOCC1CC(=O)C1 34a_100000101936_100000070051 [0,1,0,1,0,0|1,0,0]=3 10181 B11R1.78 CC=CCSCC1CC(=O)C1 62a_100000070051_100009874392 [0,1,0,1,0,0|1,0,0]=3 10182 B11R1.78 CC=CCSCC1CC(=O)C1 62a_100009874392_100000070051 [0,1,0,1,0,0|1,0,0]=3 10183 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,1,0,1,0,0|0,0,2]=4 10184 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,1,0,1,0,0|0,0,2]=4 10185 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,1,0,1,0,0|0,0,2]=4 10186 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,1,0,1,0,0|0,0,2]=4 10187 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,1,0,1,0,0|0,0,2]=4 10188 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,1,0,1,0,0|0,0,2]=4 10189 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,1,0,1,0,0|0,0,2]=4 10190 B11R1.78 COCCCSC1CC(=O)C1 62a_100009894365_100000709357 [0,1,0,1,0,0|1,0,1]=4 10191 B11R1.78 COCCNCC1CC(=O)C1 2230a_100000209980_100009874392 [0,1,0,1,0,0|1,0,1]=4 10192 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [0,1,0,1,0,0|1,0,1]=4 10193 B11R1.78 COCCSCC1CC(=O)C1 62a_100000233755_100009874392 [0,1,0,1,0,0|1,0,1]=4 10194 B11R1.78 COCCSCC1CC(=O)C1 62a_100009874392_100000233755 [0,1,0,1,0,0|1,0,1]=4 10195 B11R1.78 CSCCNCC1CC(=O)C1 2230a_100020590264_100009874392 [0,1,0,1,0,0|1,0,1]=4 10196 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [0,1,0,1,0,0|1,0,1]=4 10197 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [0,1,0,1,0,0|1,0,1]=4 10198 B11R1.78 CSCCSCC1CC(=O)C1 62a_100000212216_100009874392 [0,1,0,1,0,0|1,0,1]=4 10199 B11R1.78 CSCCSCC1CC(=O)C1 62a_100009874392_100000751147 [0,1,0,1,0,0|1,0,1]=4 10200 B11R1.78 N#CCCCSC1CC(=O)C1 62a_100009894365_100000687738 [0,1,0,1,0,0|1,0,1]=4 10201 B11R1.78 N#CCCSCC1CC(=O)C1 62a_100009874392_100011215226 [0,1,0,1,0,0|1,0,1]=4 10202 B11R1.78 N#CCCSCC1CC(=O)C1 62a_100011215226_100009874392 [0,1,0,1,0,0|1,0,1]=4 10203 B11R1.78 O=C1CC(C1)CNCCCF 2230a_100015189416_100009874392 [0,1,0,1,0,0|1,0,1]=4 10204 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [0,1,0,1,0,0|1,0,1]=4 10205 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [0,1,0,1,0,0|1,0,1]=4 10206 B11R1.78 O=C1CC(C1)CSCCCF 62a_100009874392_100011934791 [0,1,0,1,0,0|1,0,1]=4 10207 B11R1.78 O=C1CC(C1)CSCCCF 62a_100011934791_100009874392 [0,1,0,1,0,0|1,0,1]=4 10208 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [0,1,0,1,0,0|1,0,1]=4 10209 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [0,1,0,1,0,0|1,0,1]=4 10210 B11R1.78 O=C1CC(C1)SCCCCF 62a_100009894365_100000729493 [0,1,0,1,0,0|1,0,1]=4 10211 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [0,1,0,1,0,0|1,0,1]=4 10212 B11R1.78 O=CCCCSC1CC(=O)C1 62a_100009894365_200011292268 [0,1,0,1,0,0|1,0,0]=3 10213 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,1,0,1,0,0|0,0,2]=4 10214 B11R1.86 CC(=O)CN1CCOCC1=O 1458a_100000722046_200000210301 [0,1,0,1,0,0|2,0,0]=4 10215 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,1,0,1,0,0|0,0,2]=4 10216 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,1,0,1,0,0|0,0,2]=4 10217 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,1,0,1,0,0|0,0,2]=4 10218 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,1,0,1,0,0|0,0,2]=4 10219 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 10220 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 10221 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 10222 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,1,0,1,0,0|2,0,0]=4 10223 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,1,0,1,0,0|1,0,1]=4 10224 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,1,0,1,0,0|1,0,1]=4 10225 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,1,0,1,0,0|1,0,1]=4 10226 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,1,0,1,0,0|1,0,1]=4 10227 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,1,0,1,0,0|1,0,1]=4 10228 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,1,0,1,0,0|1,0,1]=4 10229 B11R1.86 [13CH3]C(=O)CN1CCOCC1=O 1458a_100000722046_200025704644 [0,1,0,1,0,0|2,0,0]=4 10230 B11R1.91 C=C(C)CCN1CC=CCC1 2230a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 10231 B11R1.91 C=C(C)CCN1CC=CCC1 269982a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 10232 B11R1.91 C=C(C)CCN1CC=CCC1 34a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 10233 B11R1.91 C=C(C)COC1C=CCCC1 34a_100011215024_100000748629 [0,1,0,1,0,0|1,0,0]=3 10234 B11R1.91 C=C(C)COC1CC=CCC1 34a_100000073881_100000748629 [0,1,0,1,0,0|2,0,0]=4 10235 B11R1.91 C=C(C)CSC1C=CCCC1 62a_100000748629_100000751183 [0,1,0,1,0,0|1,0,0]=3 10236 B11R1.91 C=C(C)CSC1C=CCCC1 62a_100000751183_100000211660 [0,1,0,1,0,0|1,0,0]=3 10237 B11R1.91 C=C(F)COC1C=CCCC1 34a_100011215024_100009893438 [0,1,0,1,0,0|1,0,1]=4 10238 B11R1.91 C=C(F)CSC1C=CCCC1 62a_100000042424_100000751183 [0,1,0,1,0,0|1,0,1]=4 10239 B11R1.91 C=C(F)CSC1C=CCCC1 62a_100000751183_100000042424 [0,1,0,1,0,0|1,0,1]=4 10240 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,1,0,1,0,0|0,0,2]=4 10241 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,1,0,1,0,0|0,0,2]=4 10242 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,1,0,1,0,0|0,0,2]=4 10243 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,1,0,1,0,0|1,0,1]=4 10244 B11R1.91 CC(=O)CCN1CC=CCC1 269982a_100000698166_100000053229 [0,1,0,1,0,0|1,0,0]=3 10245 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,1,0,1,0,0|0,0,2]=4 10246 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,1,0,1,0,0|0,0,2]=4 10247 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,1,0,1,0,0|1,0,1]=4 10248 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [0,1,0,1,0,0|1,0,1]=4 10249 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,1,0,1,0,0|0,0,2]=4 10250 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,1,0,1,0,0|0,0,2]=4 10251 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,1,0,1,0,0|0,0,2]=4 10252 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,1,0,1,0,0|1,0,1]=4 10253 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,1,0,1,0,0|0,0,2]=4 10254 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,1,0,1,0,0|0,0,2]=4 10255 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,1,0,1,0,0|0,0,2]=4 10256 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,1,0,1,0,0|0,0,2]=4 10257 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 10258 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 10259 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,1,0,1,0,0|1,0,1]=4 10260 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,1,0,1,0,0|1,0,1]=4 10261 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,1,0,1,0,0|1,0,1]=4 10262 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,1,0,1,0,0|1,0,1]=4 10263 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,1,0,1,0,0|1,0,1]=4 10264 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,1,0,1,0,0|1,0,1]=4 10265 B11R1.91 CC(=O)NN=C1C=CCCC1 4a_100000189765_100011213375 [0,1,0,1,0,0|1,0,1]=4 10266 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [0,1,0,1,0,0|2,0,0]=4 10267 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [0,1,0,1,0,0|2,0,0]=4 10268 B11R1.91 CC(C)CNC1C=CCCC1 2230a_100000210953_100000751183 [0,1,0,1,0,0|1,0,1]=4 10269 B11R1.91 CC(C)COC1C=CCCC1 34a_100011215024_100000210624 [0,1,0,1,0,0|1,0,1]=4 10270 B11R1.91 CC(C)CSC1C=CCCC1 62a_100000210624_100000751183 [0,1,0,1,0,0|1,0,1]=4 10271 B11R1.91 CC(C)CSC1C=CCCC1 62a_100000751183_100000210760 [0,1,0,1,0,0|1,0,1]=4 10272 B11R1.91 CC(O)CNC1C=CCCC1 2230a_100000210904_100000751183 [0,1,0,1,0,0|0,0,2]=4 10273 B11R1.91 CC(O)COC1C=CCCC1 34a_100011215024_100011218427 [0,1,0,1,0,0|0,0,2]=4 10274 B11R1.91 CC(O)CSC1C=CCCC1 62a_100000751183_100011218427 [0,1,0,1,0,0|0,0,2]=4 10275 B11R1.91 CC(O)CSC1C=CCCC1 62a_100011218427_100000751183 [0,1,0,1,0,0|0,0,2]=4 10276 B11R1.91 C[C@@H](O)COC1C=CCCC1 34a_100011215024_100009817552 [0,1,0,1,0,0|0,0,2]=4 10277 B11R1.91 C[C@@H](O)CSC1C=CCCC1 62a_100000751183_100009817552 [0,1,0,1,0,0|0,0,2]=4 10278 B11R1.91 C[C@@H](O)CSC1C=CCCC1 62a_100009817552_100000751183 [0,1,0,1,0,0|0,0,2]=4 10279 B11R1.91 NC(=O)CCN1CC=CCC1 2230a_100000698166_100000744528 [0,1,0,1,0,0|2,0,0]=4 10280 B11R1.91 NC(=O)CCN1CC=CCC1 269982a_100000698166_100000744528 [0,1,0,1,0,0|2,0,0]=4 10281 B11R1.91 NC(=O)CCN1CC=CCC1 34a_100000698166_100000731001 [0,1,0,1,0,0|2,0,0]=4 10282 B11R1.91 NC(=O)CNC1C=CCCC1 2230a_100000711301_100000751183 [0,1,0,1,0,0|1,0,0]=3 10283 B11R1.91 NC(=O)COC1C=CCCC1 34a_100011215024_100000187820 [0,1,0,1,0,0|1,0,0]=3 10284 B11R1.91 NC(=O)COC1CC=CCC1 34a_100000073881_100000187820 [0,1,0,1,0,0|2,0,0]=4 10285 B11R1.91 NC(=O)CSC1C=CCCC1 62a_100000747473_100000751183 [0,1,0,1,0,0|1,0,0]=3 10286 B11R1.91 NC(=O)CSC1C=CCCC1 62a_100000751183_100000747473 [0,1,0,1,0,0|1,0,0]=3 10287 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [0,1,0,1,0,0|1,0,0]=3 10288 B11R1.91 O=C([O-])COC1C=CCCC1 34a_100011215024_100020667443 [0,1,0,1,0,0|1,0,0]=3 10289 B11R1.91 O=C([O-])COC1CC=CCC1 34a_100000073881_100020667443 [0,1,0,1,0,0|2,0,0]=4 10290 B11R1.91 O=C([O-])CSC1C=CCCC1 62a_100000751183_100020667443 [0,1,0,1,0,0|1,0,0]=3 10291 B11R1.91 O=C([O-])CSC1C=CCCC1 62a_100020667443_100000751183 [0,1,0,1,0,0|1,0,0]=3 10292 B11R1.91 O=[N+]([O-])COC1C=CCCC1 34a_100011215024_100000761209 [0,1,0,1,0,0|2,0,0]=4 10293 B11R1.91 O=[N+]([O-])CSC1C=CCCC1 62a_100000751183_100000761209 [0,1,0,1,0,0|2,0,0]=4 10294 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,1,0,1,0,0|0,0,2]=4 10295 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,1,0,1,0,0|0,0,2]=4 10296 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,1,0,1,0,0|1,0,1]=4 10297 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,1,0,1,0,0|0,0,2]=4 10298 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [0,1,0,1,0,0|1,0,1]=4 10299 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [0,1,0,1,0,0|1,0,1]=4 10300 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [0,1,0,1,0,0|1,0,1]=4 10301 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [0,1,0,1,0,0|1,0,1]=4 10302 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [0,1,0,1,0,0|1,0,1]=4 10303 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [0,1,0,1,0,0|1,0,1]=4 10304 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [0,1,0,1,0,0|1,0,1]=4 10305 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [0,1,0,1,0,0|1,0,1]=4 10306 B11R1.99 C=CCCCCNCC1CO1 2230a_100000703577_100011216344 [0,1,0,1,0,0|0,0,2]=4 10307 B11R1.99 C=CCCCCNCC1CO1 34a_100000703577_102125554688 [0,1,0,1,0,0|0,0,2]=4 10308 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [0,1,0,1,0,0|1,0,1]=4 10309 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [0,1,0,1,0,0|1,0,1]=4 10310 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [0,1,0,1,0,0|1,0,1]=4 10311 B11R1.99 C=CCCCCOCC1CO1 34a_100000766645_102125554688 [0,1,0,1,0,0|0,0,2]=4 10312 B11R1.99 C=CCCCCOCC1CO1 7a_100000766645_102125554688 [0,1,0,1,0,0|0,0,2]=4 10313 B11R1.99 C=CCCCCOCC1CS1 7a_100000766645_100000031435 [0,1,0,1,0,0|0,1,1]=4 10314 B11R1.99 C=CCCCCOC[C@@H]1CO1 34a_100000757423_100011215482 [0,1,0,1,0,0|0,0,2]=4 10315 B11R1.99 C=CCCCCOC[C@@H]1CO1 7a_100000766645_100000745022 [0,1,0,1,0,0|0,0,2]=4 10316 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [0,1,0,1,0,0|1,0,1]=4 10317 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [0,1,0,1,0,0|1,0,1]=4 10318 B11R1.99 C=CCCCCSCC1CO1 62a_100011215482_102125554688 [0,1,0,1,0,0|0,0,2]=4 10319 B11R1.99 C=CCCCCSCC1CO1 62a_102125554688_100011215482 [0,1,0,1,0,0|0,0,2]=4 10320 B11R1.99 C=CCCCCSCC1CS1 62a_100000031435_100011215482 [0,1,0,1,0,0|0,1,1]=4 10321 B11R1.99 C=CCCCCSCC1CS1 62a_100011215482_100000031435 [0,1,0,1,0,0|0,1,1]=4 10322 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100000745022_100011215482 [0,1,0,1,0,0|0,0,2]=4 10323 B11R1.99 C=CCCCCSC[C@@H]1CO1 62a_100011215482_100000745022 [0,1,0,1,0,0|0,0,2]=4 10324 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [0,1,0,1,0,0|1,0,1]=4 10325 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [0,1,0,1,0,0|1,0,1]=4 10326 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [0,1,0,1,0,0|1,0,1]=4 10327 B11R1.99 C=CCCCNCCC1CO1 2230a_100000700776_100000732470 [0,1,0,1,0,0|0,0,2]=4 10328 B11R1.99 C=CCCCNCCC1CO1 34a_100000700776_100000732470 [0,1,0,1,0,0|0,0,2]=4 10329 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [0,1,0,1,0,0|1,0,1]=4 10330 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [0,1,0,1,0,0|1,0,1]=4 10331 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [0,1,0,1,0,0|1,0,1]=4 10332 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [0,1,0,1,0,0|1,0,1]=4 10333 B11R1.99 C=CCCCOCCC1CO1 34a_100000758997_100000732470 [0,1,0,1,0,0|0,0,2]=4 10334 B11R1.99 C=CCCCOCCC1CO1 7a_100000758997_100000732470 [0,1,0,1,0,0|0,0,2]=4 10335 B11R1.99 C=CCCCOCC[C@@H]1CO1 34a_100009820653_100000757094 [0,1,0,1,0,0|0,0,2]=4 10336 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [0,1,0,1,0,0|1,0,1]=4 10337 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [0,1,0,1,0,0|1,0,1]=4 10338 B11R1.99 C=CCCCSCCC1CO1 62a_100000732470_100000757094 [0,1,0,1,0,0|0,0,2]=4 10339 B11R1.99 C=CCCCSCCC1CO1 62a_100011713584_100000732470 [0,1,0,1,0,0|0,0,2]=4 10340 B11R1.99 C=CCCNCCCC1CO1 2230a_100015191253_100000733510 [0,1,0,1,0,0|0,0,2]=4 10341 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [0,1,0,1,0,0|0,0,2]=4 10342 B11R1.99 C=CCCSCCCC1CO1 62a_100000733510_100000754431 [0,1,0,1,0,0|0,0,2]=4 10343 B11R1.99 C=CCCSCCCC1CO1 62a_100000754431_100000733510 [0,1,0,1,0,0|0,0,2]=4 10344 B11R1.102 CC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000685027 [0,1,0,1,0,0|1,0,1]=4 10345 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,1,0,1,0,0|0,0,2]=4 10346 B11R1.110 C=CCN1CCCCC(C1)O 2230a_100025706797_100000210623 [0,1,0,1,0,0|0,0,2]=4 10347 B11R1.110 C=CCN1CCCCC(C1)O 269982a_100025706797_100000210623 [0,1,0,1,0,0|0,0,2]=4 10348 B11R1.110 C=CCN1CCCNC(=O)C1 2230a_100015190381_100000210623 [0,1,0,1,0,0|1,0,0]=3 10349 B11R1.110 O=CCN1CCCNC(=O)C1 2230a_100015190381_200015260668 [0,1,0,1,0,0|2,0,0]=4 10350 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|0,0,1]=3 10351 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,1,0,0|0,0,2]=4 10352 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,1,0,1,0,0|1,0,0]=3 10353 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,1,0,0|0,0,2]=4 10354 B11R1.161 C=C(C)CCOC1CCC1=O 34a_100000764851_100009892977 [0,1,0,1,0,0|2,0,0]=4 10355 B11R1.161 C=C(C)CCSC1CCC1=O 62a_100000730704_100009892977 [0,1,0,1,0,0|2,0,0]=4 10356 B11R1.161 C=C(C)CCSC1CCC1=O 62a_100009892977_100000730704 [0,1,0,1,0,0|2,0,0]=4 10357 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,1,0,1,0,0|0,0,2]=4 10358 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,1,0,1,0,0|0,0,2]=4 10359 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [0,1,0,1,0,0|1,0,0]=3 10360 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [0,1,0,1,0,0|1,0,0]=3 10361 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100000053229_100009892977 [0,1,0,1,0,0|1,0,0]=3 10362 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100009892977_100000053229 [0,1,0,1,0,0|1,0,0]=3 10363 B11R1.161 CC(=O)OCSC1CCC1=O 62a_100000076356_100009892977 [0,1,0,1,0,0|2,0,0]=4 10364 B11R1.161 CC(=O)OCSC1CCC1=O 62a_100009892977_100000076356 [0,1,0,1,0,0|2,0,0]=4 10365 B11R1.161 NC(=O)CCOC1CCC1=O 34a_100000757172_100009892977 [0,1,0,1,0,0|2,0,0]=4 10366 B11R1.161 NC(=O)CCOC1CCC1=O 7a_100000757172_100009892977 [0,1,0,1,0,0|2,0,0]=4 10367 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100000744528_100009892977 [0,1,0,1,0,0|2,0,0]=4 10368 B11R1.161 NC(=O)CCSC1CCC1=O 62a_100009892977_100000744528 [0,1,0,1,0,0|2,0,0]=4 10369 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,1,0,1,0,0|0,0,2]=4 10370 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,1,0,1,0,0|0,0,2]=4 10371 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,1,0,1,0,0|0,0,2]=4 10372 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,1,0,1,0,0|0,0,2]=4 10373 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [0,1,0,1,0,0|1,0,1]=4 10374 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [0,1,0,1,0,0|1,0,1]=4 10375 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [0,1,0,1,0,0|1,0,1]=4 10376 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,1,0,1,0,0|0,0,2]=4 10377 B11R1.174 CC(=O)CCCSC1COC1 62a_100011215641_100009818527 [0,1,0,1,0,0|1,0,1]=4 10378 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,1,0,1,0,0|0,0,2]=4 10379 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,1,0,1,0,0|0,0,2]=4 10380 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [0,1,0,1,0,0|1,0,1]=4 10381 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [0,1,0,1,0,0|1,0,1]=4 10382 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [0,1,0,1,0,0|1,0,1]=4 10383 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [0,1,0,1,0,0|1,0,1]=4 10384 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,1,0,1,0,0|0,0,2]=4 10385 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,1,0,1,0,0|0,0,2]=4 10386 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [0,1,0,1,0,0|1,0,1]=4 10387 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [0,1,0,1,0,0|1,0,1]=4 10388 B11R1.174 CC(=O)CCSCC1COC1 62a_100000053229_100010264016 [0,1,0,1,0,0|1,0,1]=4 10389 B11R1.174 CC(=O)CCSCC1COC1 62a_100010264016_100000053229 [0,1,0,1,0,0|1,0,1]=4 10390 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,1,0,1,0,0|0,0,2]=4 10391 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,1,0,1,0,0|0,0,2]=4 10392 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,1,0,1,0,0|0,0,2]=4 10393 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,1,0,1,0,0|0,0,2]=4 10394 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,1,0,1,0,0|0,0,2]=4 10395 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,1,0,1,0,0|0,0,2]=4 10396 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [0,1,0,1,0,0|1,0,1]=4 10397 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [0,1,0,1,0,0|1,0,1]=4 10398 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [0,1,0,1,0,0|1,0,1]=4 10399 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [0,1,0,1,0,0|1,0,1]=4 10400 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [0,1,0,1,0,0|1,0,1]=4 10401 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,1,0,1,0,0|0,0,2]=4 10402 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,1,0,1,0,0|0,0,2]=4 10403 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [0,1,0,1,0,0|1,0,1]=4 10404 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [0,1,0,1,0,0|1,0,1]=4 10405 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [0,1,0,1,0,0|1,0,1]=4 10406 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [0,1,0,1,0,0|1,0,1]=4 10407 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [0,1,0,1,0,0|1,0,1]=4 10408 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [0,1,0,1,0,0|1,0,1]=4 10409 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,1,0,1,0,0|0,0,2]=4 10410 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,1,0,1,0,0|0,0,2]=4 10411 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,1,0,1,0,0|0,0,2]=4 10412 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [0,1,0,1,0,0|1,0,1]=4 10413 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [0,1,0,1,0,0|1,0,1]=4 10414 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,1,0,1,0,0|0,0,2]=4 10415 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,1,0,1,0,0|0,0,2]=4 10416 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [0,1,0,1,0,0|1,0,1]=4 10417 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [0,1,0,1,0,0|1,0,1]=4 10418 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [0,1,0,1,0,0|1,0,1]=4 10419 B11R1.193 C#CCN1CCC[C@H]1C(=O)C 1458a_100020590449_200000210301 [0,1,0,1,0,0|0,0,2]=4 10420 B11R1.193 C#CCN1CCC[C@H]1C(=O)[13CH3] 1458a_100020590449_200025704644 [0,1,0,1,0,0|0,0,2]=4 10421 B11R1.193 C=CCN1CCCC1C(C)C 2230a_100000762757_100000210623 [0,1,0,1,0,0|1,0,1]=4 10422 B11R1.193 C=CCN1CCCC1C(C)C 269982a_100000762757_100000210623 [0,1,0,1,0,0|1,0,1]=4 10423 B11R1.193 C=CCN1CCCC1C(C)C 34a_100000762757_100015514636 [0,1,0,1,0,0|1,0,1]=4 10424 B11R1.193 C=CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210623 [0,1,0,1,0,0|1,0,0]=3 10425 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [0,1,0,1,0,0|1,0,0]=3 10426 B11R1.193 C=CCN1CCSC1C(=O)O 269956a_100000035718_100000210623 [0,1,0,1,0,0|2,0,0]=4 10427 B11R1.193 C=CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210623 [0,1,0,1,0,0|2,0,0]=4 10428 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [0,1,0,1,0,0|1,0,1]=4 10429 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [0,1,0,1,0,0|1,0,1]=4 10430 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [0,1,0,1,0,0|1,0,1]=4 10431 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [0,1,0,1,0,0|1,0,1]=4 10432 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [0,1,0,1,0,0|1,0,1]=4 10433 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [0,1,0,1,0,0|1,0,1]=4 10434 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [0,1,0,1,0,0|1,0,1]=4 10435 B11R1.193 NC(=O)[C@@H]1CCCN1CC=O 2230a_100000003125_200015260668 [0,1,0,1,0,0|2,0,0]=4 10436 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [0,1,0,1,0,0|2,0,0]=4 10437 B11R1.204 C/C=C/CN1CCC1C(=O)O 269956a_100000021838_100102629194 [0,1,0,1,0,0|2,0,0]=4 10438 B11R1.204 C=CCCN1CCC1C(=O)O 269956a_100000021838_100000754431 [0,1,0,1,0,0|1,0,0]=3 10439 B11R1.233 C=CCCN1CCCC1(C)C 2230a_100000761399_100000754431 [0,1,0,1,0,0|1,0,1]=4 10440 B11R1.233 C=CCCN1CCCC1(C)C 269982a_100000761399_100000754431 [0,1,0,1,0,0|1,0,1]=4 10441 B11R1.233 C=CCCN1CCCC1(C)C 34a_100000761399_100000754431 [0,1,0,1,0,0|1,0,1]=4 10442 B11R1.233 C=CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210623 [0,1,0,1,0,0|0,0,2]=4 10443 B11R1.233 C=CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100015514636 [0,1,0,1,0,0|0,0,2]=4 10444 B11R1.233 C=CCOC1CCCC1(C)C 34a_100000726220_100015514636 [0,1,0,1,0,0|1,0,1]=4 10445 B11R1.233 C=CCOC1CCCC1(C)C 7a_100000726220_100015514636 [0,1,0,1,0,0|1,0,1]=4 10446 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|0,0,2]=4 10447 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,1,0,1,0,0|0,0,2]=4 10448 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,1,0,1,0,0|0,0,2]=4 10449 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,1,0,1,0,0|0,0,2]=4 10450 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,1,0,1,0,0|0,0,2]=4 10451 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,1,0,0|0,0,2]=4 10452 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,1,0,0|0,0,2]=4 10453 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,1,0,1,0,0|0,0,2]=4 10454 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,1,0,1,0,0|0,0,2]=4 10455 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,1,0,1,0,0|0,0,2]=4 10456 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,1,0,1,0,0|0,0,2]=4 10457 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,1,0,1,0,0|0,0,2]=4 10458 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,1,0,0|0,0,2]=4 10459 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,1,0,1,0,0|0,0,2]=4 10460 B11R1.898 C=CCCOCC1CC1(C)C 34a_100000728257_100000754431 [0,1,0,1,0,0|1,0,1]=4 10461 B11R1.898 C=CCCOCC1CC1(C)C 7a_100000728257_100000754431 [0,1,0,1,0,0|1,0,1]=4 10462 B11R1.758 C=CCCNC1CS(=O)(=O)C1 2230a_100000695474_100000754431 [0,1,0,1,0,0|2,0,0]=4 10463 B11R1.758 C=CCCNC1CS(=O)(=O)C1 34a_100000695474_100000754431 [0,1,0,1,0,0|2,0,0]=4 10464 B11R1.758 C=CCCOC1CS(=O)(=O)C1 34a_100000072295_100000754431 [0,1,0,1,0,0|2,0,0]=4 10465 B11R1.758 C=CCCOC1CS(=O)(=O)C1 7a_100000072295_100000754431 [0,1,0,1,0,0|2,0,0]=4 10466 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,1,0,1,0,0|0,0,2]=4 10467 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,1,0,1,0,0|0,0,2]=4 10468 B11R1.213 C=CCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210623 [0,1,0,1,0,0|2,0,0]=4 10469 B11R1.213 C=CCNC1CCS(=O)(=O)C1 34a_100000683523_100015514636 [0,1,0,1,0,0|2,0,0]=4 10470 B11R1.213 C=CCOC1CCS(=O)(=O)C1 34a_100000186101_100015514636 [0,1,0,1,0,0|2,0,0]=4 10471 B11R1.213 C=CCOC1CCS(=O)(=O)C1 7a_100000186101_100015514636 [0,1,0,1,0,0|2,0,0]=4 10472 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,1,0,1,0,0|0,0,2]=4 10473 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,1,0,1,0,0|0,0,2]=4 10474 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,1,0,1,0,0|0,0,2]=4 10475 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,1,0,1,0,0|0,0,2]=4 10476 B11R1.39 C=CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000185746_100015189358 [0,1,0,1,0,0|1,0,1]=4 10477 B11R1.39 C=CC(O)CN1CNC(=O)C1 2230a_200000708111_100000730141 [0,1,0,1,0,0|2,0,0]=4 10478 B11R1.75 C=C(C)CCN1CNC(=O)C1 2230a_200000708111_100000730704 [0,1,0,1,0,0|2,0,0]=4 10479 B11R1.75 C=C(C)CNC1CNC(=O)C1 2230a_100000697751_100000748629 [0,1,0,1,0,0|2,0,0]=4 10480 B11R1.75 C=C(C)COC1CCC(=O)C1 34a_100012614533_100000748629 [0,1,0,1,0,0|1,0,0]=3 10481 B11R1.75 C=C(C)COC1CNC(=O)C1 34a_100000690082_100000748629 [0,1,0,1,0,0|2,0,0]=4 10482 B11R1.75 C=C(F)CNC1CNC(=O)C1 2230a_100000697751_100009893438 [0,1,0,1,0,0|2,0,0]=4 10483 B11R1.75 C=C(F)COC1CCC(=O)C1 34a_100012614533_100009893438 [0,1,0,1,0,0|1,0,0]=3 10484 B11R1.75 C=C(F)COC1CNC(=O)C1 34a_100000690082_100009893438 [0,1,0,1,0,0|2,0,0]=4 10485 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,1,0,1,0,0|2,0,0]=4 10486 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,1,0,1,0,0|2,0,0]=4 10487 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,1,0,1,0,0|2,0,0]=4 10488 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,1,0,1,0,0|2,0,0]=4 10489 B11R1.75 NC(=O)COC1CCC(=O)C1 34a_100012614533_100000187820 [0,1,0,1,0,0|2,0,0]=4 10490 B11R1.75 O=C([O-])COC1CCC(=O)C1 34a_100012614533_100020667443 [0,1,0,1,0,0|2,0,0]=4 10491 B11R1.224 C=CC(C)SCC1CC(=O)C1 62a_100011215867_100009874392 [0,1,0,1,0,0|1,0,0]=3 10492 B11R1.224 C=CC(O)CNC1CC(=C)C1 2230a_100132301982_100000730141 [0,1,0,1,0,0|2,0,0]=4 10493 B11R1.224 C=CC(O)CSC1CC(=O)C1 62a_100009894365_100000730141 [0,1,0,1,0,0|1,0,0]=3 10494 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,1,0,1,0,0|1,0,1]=4 10495 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,1,0,1,0,0|1,0,1]=4 10496 B11R1.870 C=CC(C)N1CCC1C(=O)O 269956a_100000021838_100011215867 [0,1,0,1,0,0|2,0,0]=4 10497 B11R1.1 C=CCCN1CC=C(CC1)C 2230a_100000693516_100000754431 [0,1,0,1,0,0|2,0,0]=4 10498 B11R1.1 C=CCCN1CC=C(CC1)C 269982a_100000693516_100000754431 [0,1,0,1,0,0|2,0,0]=4 10499 B11R1.1 C=CCCN1CC=C(CC1)C 34a_100000693516_100000754431 [0,1,0,1,0,0|2,0,0]=4 10500 B11R1.1 C=CCCN1CCC(=C)CC1 2230a_100000752442_100000754431 [0,1,0,1,0,0|2,0,0]=4 10501 B11R1.1 C=CCCN1CCC(=C)CC1 269982a_100000752442_100000754431 [0,1,0,1,0,0|2,0,0]=4 10502 B11R1.1 C=CCCN1CCC(=C)CC1 34a_100000752442_100000754431 [0,1,0,1,0,0|2,0,0]=4 10503 B11R1.1 C=CCCN1CCS(=O)CC1 2230a_100000752083_100000754431 [0,1,0,1,0,0|2,0,0]=4 10504 B11R1.1 C=CCCN1CCS(=O)CC1 269982a_100000752083_100000754431 [0,1,0,1,0,0|2,0,0]=4 10505 B11R1.1 C=CCNC1CCC(=C)CC1 270004a_100020586998_100010272673 [0,1,0,1,0,0|2,0,0]=4 10506 B11R1.1 C=CCNC1CCC(=O)NC1 2230a_100000748762_100000210623 [0,1,0,1,0,0|1,0,0]=3 10507 B11R1.1 C=CCNC1CCC(=O)NC1 34a_100000748762_100015514636 [0,1,0,1,0,0|1,0,0]=3 10508 B11R1.1 C=CCOC1CCC(=O)CC1 34a_100000764474_100015514636 [0,1,0,1,0,0|1,0,0]=3 10509 B11R1.1 C=CCOC1CCC(=O)CC1 7a_100000764474_100015514636 [0,1,0,1,0,0|1,0,0]=3 10510 B11R1.1 C=CCOC1CCC(=O)NC1 34a_100000079199_100015514636 [0,1,0,1,0,0|1,0,0]=3 10511 B11R1.1 C=CCOC1CNC(=O)NC1 34a_100000080929_100015514636 [0,1,0,1,0,0|2,0,0]=4 10512 B11R1.1 O=CCNC1CCC(=O)NC1 2230a_100000748762_200015260668 [0,1,0,1,0,0|2,0,0]=4 10513 B11R1.1 O=CCNC1CCC(=O)NC1 34a_100000748762_200009817547 [0,1,0,1,0,0|2,0,0]=4 10514 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [0,1,0,1,0,0|2,0,0]=4 10515 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [0,1,0,1,0,0|2,0,0]=4 10516 B11R1.1 O=CCOC1CCC(=O)NC1 34a_100000079199_200009817547 [0,1,0,1,0,0|2,0,0]=4 10517 B11R1.13 C=CCN1CCNC(=O)C1C 2230a_100000750721_100000210623 [0,1,0,1,0,0|2,0,0]=4 10518 B11R1.13 C=CCN1CCNC(=O)C1C 269982a_100000750721_100000210623 [0,1,0,1,0,0|2,0,0]=4 10519 B11R1.13 C=CCN1CCNC(=O)C1C 34a_100000750721_100015514636 [0,1,0,1,0,0|2,0,0]=4 10520 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,1,0,1,0,0|1,0,1]=4 10521 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,1,0,1,0,0|1,0,1]=4 10522 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,1,0,1,0,0|1,0,1]=4 10523 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,1,0,1,0,0|1,0,1]=4 10524 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,1,0,0|0,0,2]=4 10525 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,1,0,0|0,0,2]=4 10526 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,1,0,1,0,0|1,0,1]=4 10527 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,1,0,1,0,0|0,0,2]=4 10528 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,1,0,1,0,0|0,0,2]=4 10529 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,1,0,1,0,0|0,0,2]=4 10530 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,1,0,1,0,0|0,0,2]=4 10531 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,1,0,1,0,0|1,0,1]=4 10532 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 10533 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 10534 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,1,0,1,0,0|1,0,1]=4 10535 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,1,0,1,0,0|0,0,2]=4 10536 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,1,0,1,0,0|1,0,1]=4 10537 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,1,0,0|0,0,2]=4 10538 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [0,1,0,1,0,0|0,0,2]=4 10539 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,1,0,0|0,0,2]=4 10540 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,1,0,0|0,0,2]=4 10541 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,1,0,1,0,0|1,0,1]=4 10542 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,1,0,1,0,0|1,0,1]=4 10543 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,1,0,1,0,0|1,0,1]=4 10544 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,1,0,1,0,0|1,0,1]=4 10545 B11R1.40 CNC(=O)CC1=CCCCC1 11a_106832991635_100000039269 [0,1,0,1,0,0|0,0,2]=4 10546 B11R1.40 CNC(=O)CC1=CCCCC1 1626a_100102657272_100000039269 [0,1,0,1,0,0|0,0,2]=4 10547 B11R1.40 CNC(=O)CC1=CCCCC1 240690a_100102657272_100000039269 [0,1,0,1,0,0|0,0,2]=4 10548 B11R1.40 CNC(=O)CC1=CCCCC1 527a_100102657272_100000039269 [0,1,0,1,0,0|0,0,2]=4 10549 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,1,0,1,0,0|0,0,2]=4 10550 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,1,0,1,0,0|0,0,2]=4 10551 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,1,0,1,0,0|0,0,2]=4 10552 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,1,0,1,0,0|0,0,2]=4 10553 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,1,0,1,0,0|1,0,1]=4 10554 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 10555 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 10556 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,1,0,1,0,0|1,0,1]=4 10557 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,1,0,1,0,0|1,0,1]=4 10558 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,1,0,1,0,0|1,0,1]=4 10559 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,1,0,1,0,0|1,0,1]=4 10560 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,1,0,1,0,0|1,0,1]=4 10561 B11R1.40 O=C(CF)CC1=CCCCC1 1458a_100000039269_100015361967 [0,1,0,1,0,0|0,0,2]=4 10562 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,1,0,1,0,0|0,0,2]=4 10563 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,1,0,1,0,0|1,0,1]=4 10564 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,1,0,1,0,0|1,0,1]=4 10565 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,1,0,0|0,0,2]=4 10566 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,1,0,0|1,0,1]=4 10567 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,1,0,1,0,0|1,0,1]=4 10568 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [0,1,0,1,0,0|2,0,0]=4 10569 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,1,0,1,0,0|1,0,1]=4 10570 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,1,0,1,0,0|1,0,1]=4 10571 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,1,0,1,0,0|1,0,1]=4 10572 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,1,0,1,0,0|1,0,1]=4 10573 B11R1.115 C=CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210623 [0,1,0,1,0,0|1,0,0]=3 10574 B11R1.115 C=CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210623 [0,1,0,1,0,0|1,0,0]=3 10575 B11R1.115 COC(=O)[C@@H]1CCN1CC=O 2230a_102516456887_200015260668 [0,1,0,1,0,0|2,0,0]=4 10576 B11R1.115 COC(=O)[C@@H]1CCN1CC=O 269982a_102516456887_200015260668 [0,1,0,1,0,0|2,0,0]=4 10577 B11R1.190 C=CCCCNC1CCC1=O 34a_100000700776_100009892977 [0,1,0,1,0,0|1,0,0]=3 10578 B11R1.190 C=CCCCOC1CCC1=O 34a_100000758997_100009892977 [0,1,0,1,0,0|1,0,0]=3 10579 B11R1.190 C=CCCCOC1CCC1=O 7a_100000758997_100009892977 [0,1,0,1,0,0|1,0,0]=3 10580 B11R1.190 C=CCCCSC1CCC1=O 62a_100009892977_100000757094 [0,1,0,1,0,0|1,0,0]=3 10581 B11R1.190 C=CCCCSC1CCC1=O 62a_100011713584_100009892977 [0,1,0,1,0,0|1,0,0]=3 10582 B11R1.190 C=CCNCCC1CCC1=O 2230a_100020586998_200016118888 [0,1,0,1,0,0|1,0,0]=3 10583 B11R1.190 C=CCSCCC1CCC1=O 62a_100000210623_200016118888 [0,1,0,1,0,0|1,0,0]=3 10584 B11R1.190 C=CCSCCC1CCC1=O 62a_200016118888_100000210623 [0,1,0,1,0,0|1,0,0]=3 10585 B11R1.190 C=COCCOC1CCC1=O 34a_100000033082_100009892977 [0,1,0,1,0,0|2,0,0]=4 10586 B11R1.190 C=COCCSC1CCC1=O 62a_100000039644_100009892977 [0,1,0,1,0,0|2,0,0]=4 10587 B11R1.190 C=COCCSC1CCC1=O 62a_100009892977_100000039644 [0,1,0,1,0,0|2,0,0]=4 10588 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [0,1,0,1,0,0|2,0,0]=4 10589 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [0,1,0,1,0,0|2,0,0]=4 10590 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [0,1,0,1,0,0|2,0,0]=4 10591 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [0,1,0,1,0,0|2,0,0]=4 10592 B11R1.212 C=CCNC1CCN(C1=O)C 2230a_100020586998_100000755940 [0,1,0,1,0,0|2,0,0]=4 10593 B11R1.212 C=CCOC1CCN(C1=O)C 34a_200000210373_100000755940 [0,1,0,1,0,0|2,0,0]=4 10594 B11R1.212 C=CCSC1CCN(C1=O)C 62a_100000210623_100000755940 [0,1,0,1,0,0|2,0,0]=4 10595 B11R1.212 C=CCSC1CCN(C1=O)C 62a_100000755940_100000210623 [0,1,0,1,0,0|2,0,0]=4 10596 B11R1.218 C=CCCN1CC1C(=O)OC 2230a_200009830135_100000754431 [0,1,0,1,0,0|1,0,0]=3 10597 B11R1.222 C#CC(=O)C1CCCCC1=O 1458a_100000211873_100000204591 [0,1,0,1,0,0|1,0,1]=4 10598 B11R1.222 C=CC(=O)C1CCCCC1=O 1458a_100000185746_100000204591 [0,1,0,1,0,0|1,0,1]=4 10599 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,1,0,1,0,0|0,0,2]=4 10600 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|1,0,0]=3 10601 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,1,0,0|0,0,2]=4 10602 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,1,0,1,0,0|1,0,1]=4 10603 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,1,0,1,0,0|2,0,0]=4 10604 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,1,0,1,0,0|2,0,0]=4 10605 B11R1.222 CCC(=O)C1COCCC1=O 1458a_100000210414_100012180262 [0,1,0,1,0,0|2,0,0]=4 10606 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,1,0,1,0,0|1,0,1]=4 10607 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [0,1,0,1,0,0|1,0,1]=4 10608 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,1,0,1,0,0|0,0,2]=4 10609 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,1,0,1,0,0|0,0,2]=4 10610 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,1,0,1,0,0|0,0,2]=4 10611 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,1,0,1,0,0|0,0,2]=4 10612 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [0,1,0,1,0,0|1,0,1]=4 10613 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [0,1,0,1,0,0|1,0,1]=4 10614 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [0,1,0,1,0,0|1,0,1]=4 10615 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [0,1,0,1,0,0|1,0,1]=4 10616 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [0,1,0,1,0,0|1,0,1]=4 10617 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [0,1,0,1,0,0|1,0,1]=4 10618 B11R1.222 CNC(=O)C1CCCNC1=O 11a_106832991635_100000087122 [0,1,0,1,0,0|2,0,0]=4 10619 B11R1.222 CNC(=O)C1CCCNC1=O 240690a_100102657272_100000087122 [0,1,0,1,0,0|2,0,0]=4 10620 B11R1.222 CNC(=O)C1CCCNC1=O 527a_100102657272_100000087122 [0,1,0,1,0,0|2,0,0]=4 10621 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [0,1,0,1,0,0|1,0,1]=4 10622 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [0,1,0,1,0,0|1,0,1]=4 10623 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [0,1,0,1,0,0|1,0,1]=4 10624 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [0,1,0,1,0,0|1,0,1]=4 10625 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,1,0,1,0,0|1,0,1]=4 10626 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,1,0,1,0,0|1,0,1]=4 10627 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,1,0,1,0,0|1,0,1]=4 10628 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,1,0,1,0,0|1,0,1]=4 10629 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,1,0,1,0,0|1,0,1]=4 10630 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,1,0,1,0,0|1,0,1]=4 10631 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,1,0,1,0,0|1,0,1]=4 10632 B11R1.222 O=C(CF)C1CCCNC1=O 1458a_100000087122_100015361967 [0,1,0,1,0,0|2,0,0]=4 10633 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,1,0,1,0,0|1,0,0]=3 10634 B11R1.222 O=C(CO)C1CCCNC1=O 1458a_100000210174_100000687798 [0,1,0,1,0,0|2,0,0]=4 10635 B11R1.222 O=C(CO)C1COCCC1=O 1458a_100000210174_100012180262 [0,1,0,1,0,0|2,0,0]=4 10636 B11R1.223 C#CC(=O)CCC1CCC1=O 1458a_100000211873_200016118888 [0,1,0,1,0,0|1,0,1]=4 10637 B11R1.223 C=CC(=O)CCC1CCC1=O 1458a_100000185746_200016118888 [0,1,0,1,0,0|1,0,1]=4 10638 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,1,0,0|1,0,0]=3 10639 B11R1.223 CCC(=O)COC1CCC1=O 34a_100000725409_100009892977 [0,1,0,1,0,0|2,0,0]=4 10640 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100000747405_100009892977 [0,1,0,1,0,0|2,0,0]=4 10641 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100009892977_100000747405 [0,1,0,1,0,0|2,0,0]=4 10642 B11R1.223 CNC(=O)COC1CCC1=O 34a_100000750040_100009892977 [0,1,0,1,0,0|2,0,0]=4 10643 B11R1.223 CNC(=O)CSC1CCC1=O 62a_100000183359_100009892977 [0,1,0,1,0,0|2,0,0]=4 10644 B11R1.223 CNC(=O)CSC1CCC1=O 62a_100009892977_100000183359 [0,1,0,1,0,0|2,0,0]=4 10645 B11R1.223 COC(=O)CSC1CCC1=O 62a_100000747449_100009892977 [0,1,0,1,0,0|2,0,0]=4 10646 B11R1.223 COC(=O)CSC1CCC1=O 62a_100009892977_100000747449 [0,1,0,1,0,0|2,0,0]=4 10647 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,1,0,1,0,0|1,0,0]=3 10648 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,1,0,1,0,0|2,0,0]=4 10649 B11R1.228 CNC(=O)CN1CCCC1=O 11a_106832991635_100000189602 [0,1,0,1,0,0|2,0,0]=4 10650 B11R1.228 CNC(=O)CN1CCCC1=O 1626a_100102657272_100000189602 [0,1,0,1,0,0|2,0,0]=4 10651 B11R1.228 CNC(=O)CN1CCCC1=O 240690a_100102657272_100000189602 [0,1,0,1,0,0|2,0,0]=4 10652 B11R1.228 CNC(=O)CN1CCCC1=O 527a_100102657272_100000189602 [0,1,0,1,0,0|2,0,0]=4 10653 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [0,1,0,1,0,0|1,0,1]=4 10654 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [0,1,0,1,0,0|1,0,1]=4 10655 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [0,1,0,1,0,0|1,0,1]=4 10656 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [0,1,0,1,0,0|1,0,1]=4 10657 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [0,1,0,1,0,0|1,0,1]=4 10658 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [0,1,0,1,0,0|1,0,1]=4 10659 B11R1.228 O=C(CF)CN1CCCC1=O 1458a_100000189602_100015361967 [0,1,0,1,0,0|2,0,0]=4 10660 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|0,0,2]=4 10661 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|0,0,2]=4 10662 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,1,0,0|0,0,2]=4 10663 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,1,0,0|0,0,2]=4 10664 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,1,0,0|0,0,2]=4 10665 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,1,0,0|0,0,2]=4 10666 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,1,0,0|0,0,2]=4 10667 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,2]=4 10668 B11R1.35 CC(CC1C=CCC1)N(C)C 270004a_100102631434_100000116859 [0,1,0,1,0,0|2,0,0]=4 10669 B11R1.36 C=C(C)C(=O)C1C=CCCC1 1458a_100000185857_100000751183 [0,1,0,1,0,0|1,0,1]=4 10670 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,1,0,1,0,0|0,0,2]=4 10671 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,1,0,1,0,0|0,0,2]=4 10672 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,1,0,1,0,0|0,0,2]=4 10673 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,1,0,1,0,0|0,0,2]=4 10674 B11R1.89 CC(=O)C(C)N1CCCC1=O 1458a_200011194792_200000210301 [0,1,0,1,0,0|2,0,0]=4 10675 B11R1.89 CC(C(=O)[13CH3])N1CCCC1=O 1458a_200011194792_200025704644 [0,1,0,1,0,0|2,0,0]=4 10676 B11R1.142 CC(=O)C(C)OC1CCC1=O 34a_100000212229_100009892977 [0,1,0,1,0,0|2,0,0]=4 10677 B11R1.142 CC(=O)C(C)SC1CCC1=O 62a_100009814033_100009892977 [0,1,0,1,0,0|2,0,0]=4 10678 B11R1.142 CC(=O)C(C)SC1CCC1=O 62a_100009892977_100009814033 [0,1,0,1,0,0|2,0,0]=4 10679 B11R1.192 C=CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210623 [0,1,0,1,0,0|2,0,0]=4 10680 B11R1.192 C=CCN1CCN(C(=O)C1)C 269982a_100000187256_100000210623 [0,1,0,1,0,0|2,0,0]=4 10681 B11R1.211 C=CCCN1CC(C1)C(=O)N 34a_100025753142_100000754431 [0,1,0,1,0,0|2,0,0]=4 10682 B11R1.211 C=CCNC1CN(C1)C(=O)C 2230a_100102955437_100000210623 [0,1,0,1,0,0|2,0,0]=4 10683 B11R1.211 C=CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210623 [0,1,0,1,0,0|2,0,0]=4 10684 B11R1.231 C=CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210623 [0,1,0,1,0,0|2,0,0]=4 10685 B11R1.231 C=CCNC1CC(=O)N(C1)C 34a_100000748898_100015514636 [0,1,0,1,0,0|2,0,0]=4 10686 B11R1.287 C=CCCC(=O)C1CC(=C)C1 1458a_100000065620_100000754431 [0,1,0,1,0,0|1,0,1]=4 10687 B11R1.287 C=CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000754431 [0,1,0,1,0,0|1,0,1]=4 10688 B11R1.287 C=CCCN(C)C1CC(=O)C1 269982a_100020639649_100009894365 [0,1,0,1,0,0|1,0,0]=3 10689 B11R1.178 CC(=O)C1CCCN1C(=O)N 1458a_200000183025_200000210301 [0,1,0,1,0,0|2,0,0]=4 10690 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [0,1,0,1,0,0|2,0,0]=4 10691 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [0,1,0,1,0,0|2,0,0]=4 10692 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [0,1,0,1,0,0|2,0,0]=4 10693 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [0,1,0,1,0,0|1,0,1]=4 10694 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [0,1,0,1,0,0|1,0,1]=4 10695 B11R1.178 [13CH3]C(=O)C1CCCN1C(=O)N 1458a_200000183025_200025704644 [0,1,0,1,0,0|2,0,0]=4 10696 B11R1.708 C=C(C)CN1CCC1C(=O)O 269956a_100000021838_100000748629 [0,1,0,1,0,0|2,0,0]=4 10697 B11R1.708 C=C(F)CN1CCC1C(=O)O 269956a_100000021838_100000042424 [0,1,0,1,0,0|2,0,0]=4 10698 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,2,0,0|0,0,2]=4 10699 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,2,0,0|0,0,2]=4 10700 B11R2.845 CC(=O)C1CC2C=CC1C2 1458a_100000211946_200000210301 [0,0,0,2,0,0|0,0,0]=2 10701 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,2,0,0|0,0,2]=4 10702 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,2,0,0|0,0,2]=4 10703 B11R2.845 CC(=O)N1CC2C=CC1C2 11a_100000732668_100015343762 [0,0,0,2,0,0|1,0,0]=3 10704 B11R2.845 CC(=O)N1CC2C=CC1C2 240690a_100000732668_100015343762 [0,0,0,2,0,0|1,0,0]=3 10705 B11R2.845 CC(=O)N1CC2C=CC1C2 527a_100000732668_100103153847 [0,0,0,2,0,0|1,0,0]=3 10706 B11R2.845 [13CH3]C(=O)C1CC2C=CC1C2 1458a_100000211946_200025704644 [0,0,0,2,0,0|0,0,0]=2 10707 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,2,0,0|0,0,2]=4