0 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,0,0,0,0,0|1,0,2]=3 10 B9R0.2 C#CCCCNCC(=O)[O-] 34a_100000718082_100020667443 [0,0,0,0,0,0|1,0,3]=4 11 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,0,0,0,0,0|1,0,3]=4 15 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100011215417_100020667443 [0,0,0,0,0,0|1,0,3]=4 18 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100020667443_100011215417 [0,0,0,0,0,0|1,0,3]=4 19 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.2 C#CCCNOCC(=O)O 269956a_100000106656_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [0,0,0,0,0,0|1,0,3]=4 41 B9R0.2 C/C=C/CNOCC(=O)O 269956a_100000106656_100102629194 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.2 C=C(Br)CCOCCCF 34a_100009813270_100011934791 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.2 C=C(Br)CCOCCOC 34a_100009813270_100011201679 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.2 C=C(Br)CCOCCSC 34a_100009813270_100000212216 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,0,0,0,0,0|3,0,0]=3 57 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,0,0,0,0,0|3,0,0]=3 58 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,0,0,0,0,0|4,0,0]=4 59 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,0,0,0,0,0|4,0,0]=4 60 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,0,0,0,0,0|4,0,0]=4 61 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,0,0,0,0,0|4,0,0]=4 62 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,0,0,0,0,0|4,0,0]=4 63 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,0,0,0,0,0|3,0,0]=3 65 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,0,0,0,0,0|3,0,0]=3 66 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,0,0,0,0,0|4,0,0]=4 67 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,0,0,0,0,0|4,0,0]=4 68 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,0,0,0,0,0|3,0,0]=3 77 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,0,0,0,0,0|3,0,0]=3 78 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,0,0,0,0,0|4,0,0]=4 81 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,0,0,0,0,0|4,0,0]=4 82 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,0,0,0,0,0|4,0,0]=4 83 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,0,0,0,0,0|4,0,0]=4 84 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,0,0,0,0,0|4,0,0]=4 85 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,0,0,0,0,0|4,0,0]=4 86 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,0,0,0,0,0|4,0,0]=4 87 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,0,0,0,0,0|4,0,0]=4 88 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,0,0,0,0,0|3,0,0]=3 89 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,0,0,0,0,0|4,0,0]=4 90 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,0,0,0,0,0|4,0,0]=4 91 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,0,0,0,0,0|4,0,0]=4 92 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,0,0,0,0,0|4,0,0]=4 93 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,0,0,0,0,0|4,0,0]=4 94 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,0,0,0,0,0|4,0,0]=4 95 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,0,0,0,0,0|4,0,0]=4 96 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,0,0,0,0,0|4,0,0]=4 97 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,0,0,0,0,0|3,0,0]=3 98 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,0,0,0,0,0|3,0,0]=3 99 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,0,0,0,0,0|3,0,0]=3 100 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,0,0,0,0,0|4,0,0]=4 101 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,0,0,0,0,0|4,0,0]=4 102 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,0,0,0,0,0|4,0,0]=4 103 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,0,0,0,0,0|4,0,0]=4 104 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,0,0,0,0,0|4,0,0]=4 105 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,0,0,0,0,0|4,0,0]=4 106 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,0,0,0,0,0|4,0,0]=4 107 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,0,0,0,0,0|4,0,0]=4 108 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,0,0,0,0,0|4,0,0]=4 109 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,0,0,0,0,0|4,0,0]=4 110 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,0,0,0,0,0|4,0,0]=4 111 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,0,0,0,0,0|4,0,0]=4 112 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,0,0,0,0,0|4,0,0]=4 113 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,0,0,0,0,0|4,0,0]=4 114 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,0,0,0,0,0|4,0,0]=4 115 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,0,0,0,0,0|4,0,0]=4 116 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,0,0,0,0,0|4,0,0]=4 117 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,0,0,0,0,0|4,0,0]=4 118 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,0,0,0,0,0|4,0,0]=4 119 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,0,0,0,0,0|3,0,0]=3 120 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,0,0,0,0,0|3,0,0]=3 121 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,0,0,0,0,0|4,0,0]=4 122 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,0,0,0,0,0|4,0,0]=4 123 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,0,0,0,0,0|4,0,0]=4 124 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,0,0,0,0,0|4,0,0]=4 125 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,0,0,0,0,0|4,0,0]=4 126 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,0,0,0,0,0|4,0,0]=4 127 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,0,0,0,0,0|4,0,0]=4 128 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,0,0,0,0,0|4,0,0]=4 129 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,0,0,0,0,0|4,0,0]=4 130 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,0,0,0,0,0|4,0,0]=4 131 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,0,0,0,0,0|3,0,0]=3 132 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,0,0,0,0,0|4,0,0]=4 133 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,0,0,0,0,0|4,0,0]=4 134 B9R0.2 C=C(F)CNCCCOC 34a_100150723488_100009893438 [0,0,0,0,0,0|4,0,0]=4 135 B9R0.2 C=C(F)CNCCCSC 2230a_100000749238_100009893438 [0,0,0,0,0,0|4,0,0]=4 136 B9R0.2 C=C(F)CNCCOCC 2230a_102516460346_100009893438 [0,0,0,0,0,0|4,0,0]=4 137 B9R0.2 C=C(F)CNCCOCC 34a_102516460346_100009893438 [0,0,0,0,0,0|4,0,0]=4 138 B9R0.2 C=C(F)CNCCSCC 2230a_100000106463_100009893438 [0,0,0,0,0,0|4,0,0]=4 139 B9R0.2 C=C(F)COCCCCBr 34a_100011216708_100009893438 [0,0,0,0,0,0|4,0,0]=4 140 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,0,0,0,0,0|3,0,0]=3 141 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,0,0,0,0,0|3,0,0]=3 142 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,0,0,0,0,0|3,0,0]=3 143 B9R0.2 C=C(F)COCCCCCl 34a_100000210776_100009893438 [0,0,0,0,0,0|4,0,0]=4 144 B9R0.2 C=C(F)COCCCCCl 7a_100000210776_100000042424 [0,0,0,0,0,0|4,0,0]=4 145 B9R0.2 C=C(F)COCCCCF 34a_100011995726_100009893438 [0,0,0,0,0,0|4,0,0]=4 146 B9R0.2 C=C(F)COCCCCF 34a_200010262243_100000729493 [0,0,0,0,0,0|4,0,0]=4 147 B9R0.2 C=C(F)COCCCCF 7a_100011995726_100000042424 [0,0,0,0,0,0|4,0,0]=4 148 B9R0.2 C=C(F)COCCCCI 34a_200012148704_100009893438 [0,0,0,0,0,0|4,0,0]=4 149 B9R0.2 C=C(F)COCCCCN 34a_100000750430_100009893438 [0,0,0,0,0,0|4,0,0]=4 150 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,0,0,0,0,0|4,0,0]=4 151 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,0,0,0,0,0|4,0,0]=4 152 B9R0.2 C=C(F)COCCCOC 34a_100000740835_100009893438 [0,0,0,0,0,0|4,0,0]=4 153 B9R0.2 C=C(F)COCCCOC 34a_200010262243_100000740836 [0,0,0,0,0,0|4,0,0]=4 154 B9R0.2 C=C(F)COCCCSC 34a_100000690336_100009893438 [0,0,0,0,0,0|4,0,0]=4 155 B9R0.2 C=C(F)COCCCSC 7a_100000690336_100000042424 [0,0,0,0,0,0|4,0,0]=4 156 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [0,0,0,0,0,0|4,0,0]=4 157 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [0,0,0,0,0,0|4,0,0]=4 158 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [0,0,0,0,0,0|4,0,0]=4 159 B9R0.2 C=C(F)COCCSCC 34a_100000212035_100009893438 [0,0,0,0,0,0|4,0,0]=4 160 B9R0.2 C=C(F)COCCSCC 34a_200010262243_100000757381 [0,0,0,0,0,0|4,0,0]=4 161 B9R0.2 C=C(F)COCCSCC 7a_100000212035_100000042424 [0,0,0,0,0,0|4,0,0]=4 162 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,0,0,0,0,0|3,0,0]=3 163 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,0,0,0,0,0|3,0,0]=3 164 B9R0.2 C=C(F)CSCCCCF 62a_100000042424_100000729493 [0,0,0,0,0,0|4,0,0]=4 165 B9R0.2 C=C(F)CSCCCCF 62a_100000729493_100000042424 [0,0,0,0,0,0|4,0,0]=4 166 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,0,0,0,0,0|4,0,0]=4 167 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,0,0,0,0,0|4,0,0]=4 168 B9R0.2 C=C(F)CSCCCOC 62a_100000042424_100000709357 [0,0,0,0,0,0|4,0,0]=4 169 B9R0.2 C=C(F)CSCCCOC 62a_100000709357_100000042424 [0,0,0,0,0,0|4,0,0]=4 170 B9R0.2 C=C(F)CSCCOCC 62a_100000042424_100011215890 [0,0,0,0,0,0|4,0,0]=4 171 B9R0.2 C=C(F)CSCCOCC 62a_100000210147_100000042424 [0,0,0,0,0,0|4,0,0]=4 172 B9R0.2 C=C(F)CSCCSCC 62a_100000042424_100000757381 [0,0,0,0,0,0|4,0,0]=4 173 B9R0.2 C=C(F)CSCCSCC 62a_100000757381_100000042424 [0,0,0,0,0,0|4,0,0]=4 174 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,0,0,0,0,0|1,0,2]=3 175 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,0,0,0,0,0|1,0,2]=3 176 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,0,0,0,0,0|1,0,2]=3 177 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,0,0,0,0,0|2,0,2]=4 178 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,0,0,0,0,0|2,0,2]=4 179 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,0,0,0,0,0|2,0,2]=4 180 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,0,0,0,0,0|2,0,2]=4 181 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,0,0,0,0,0|2,0,2]=4 182 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,0,0,0,0,0|2,0,2]=4 183 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,0,0,0,0,0|2,0,2]=4 184 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,0,0,0,0,0|1,0,2]=3 185 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,0,0,0,0,0|1,0,3]=4 186 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,0,0,0,0,0|2,0,2]=4 188 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,0,0,0,0,0|2,0,2]=4 189 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,0,0,0,0,0|1,0,3]=4 190 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,0,0,0,0,0|2,0,2]=4 191 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,0,0,0,0,0|2,0,2]=4 192 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,0,0,0,0,0|1,0,3]=4 193 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,0,0,0,0,0|1,0,3]=4 194 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,0,0,0,0,0|2,0,2]=4 195 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,0,0,0,0,0|2,0,2]=4 196 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,0,0,0,0,0|2,0,2]=4 197 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,0,0,0,0,0|2,0,2]=4 198 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,0,0,0,0,0|2,0,2]=4 199 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,0,0,0,0,0|2,0,2]=4 200 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,0,0,0,0,0|2,0,2]=4 201 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,0,0,0,0,0|2,0,2]=4 202 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,0,0,0,0,0|2,0,2]=4 203 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,0,0,0,0,0|2,0,2]=4 204 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,0,0,0,0,0|2,0,2]=4 205 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,0,0,0,0,0|2,0,2]=4 206 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,0,0,0,0,0|2,0,2]=4 207 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,0,0,0,0,0|2,0,2]=4 208 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,0,0,0,0,0|2,0,2]=4 209 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,0,0,0,0,0|2,0,2]=4 210 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,0,0,0,0,0|2,0,2]=4 211 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,0,0,0,0,0|2,0,2]=4 212 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,0,0,0,0,0|2,0,2]=4 213 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,0,0,0,0,0|2,0,2]=4 214 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [0,0,0,0,0,0|2,0,2]=4 215 B9R0.2 CC#CCCOCC(=O)N 34a_100000750427_100000187820 [0,0,0,0,0,0|2,0,2]=4 216 B9R0.2 CC#CCCOCC(=O)[O-] 34a_100000750427_100020667443 [0,0,0,0,0,0|1,0,3]=4 217 B9R0.2 CC#CCNCCC(=O)N 2230a_100000685387_100000744528 [0,0,0,0,0,0|2,0,2]=4 218 B9R0.2 CC#CCNCCC(=O)N 34a_100000685387_100000731001 [0,0,0,0,0,0|2,0,2]=4 219 B9R0.2 CC#CCNOCC(=O)O 269956a_100000106656_100000748600 [0,0,0,0,0,0|2,0,2]=4 220 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [0,0,0,0,0,0|2,0,2]=4 221 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [0,0,0,0,0,0|2,0,2]=4 222 B9R0.2 CC#CCOCCC(=O)N 34a_100000757172_100000748600 [0,0,0,0,0,0|2,0,2]=4 223 B9R0.2 CC#CCOCCC(=O)N 34a_100000761923_100000731001 [0,0,0,0,0,0|2,0,2]=4 224 B9R0.2 CC#CCOCCC(=O)N 7a_100000757172_100000748600 [0,0,0,0,0,0|2,0,2]=4 225 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [0,0,0,0,0,0|2,0,2]=4 226 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [0,0,0,0,0,0|2,0,2]=4 227 B9R0.2 CC#CCSCCC(=O)N 62a_100000744528_100000748600 [0,0,0,0,0,0|2,0,2]=4 228 B9R0.2 CC#CCSCCC(=O)N 62a_100000748600_100000744528 [0,0,0,0,0,0|2,0,2]=4 229 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,0,0,0,0,0|2,0,1]=3 230 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,0,0,0,0|2,0,0]=2 231 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,0,0,0,0|2,0,0]=2 232 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,0,0,0,0|2,0,0]=2 233 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,0,0,0,0,0|4,0,0]=4 234 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,0,0,0,0,0|3,0,0]=3 235 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,0,0,0,0,0|3,0,0]=3 236 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,0,0,0,0,0|3,0,0]=3 237 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,0,0,0,0,0|3,0,0]=3 238 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,0,0,0,0,0|3,0,1]=4 239 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,0,0,0,0,0|3,0,1]=4 240 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,0,0,0,0,0|3,0,1]=4 241 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,0,0,0,0,0|3,0,0]=3 242 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,0,0,0,0,0|3,0,0]=3 243 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,0,0,0,0,0|3,0,0]=3 244 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,0,0,0,0,0|3,0,0]=3 245 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,0,0,0,0,0|3,0,0]=3 246 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,0,0,0,0,0|3,0,0]=3 247 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,0,0,0,0,0|3,0,1]=4 249 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,0,0,0,0,0|3,0,0]=3 252 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,0,0,0,0,0|3,0,0]=3 253 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,0,0,0,0,0|3,0,0]=3 254 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,0,0,0,0,0|3,0,0]=3 255 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,0,0,0,0,0|3,0,1]=4 256 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,0,0,0,0,0|3,0,0]=3 257 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,0,0,0,0,0|3,0,0]=3 258 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,0,0,0,0,0|3,0,0]=3 259 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,0,0,0,0,0|3,0,0]=3 260 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,0,0,0,0,0|3,0,1]=4 261 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,0,0,0,0,0|3,0,1]=4 262 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,0,0,0,0,0|3,0,0]=3 263 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,0,0,0,0,0|3,0,0]=3 264 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,0,0,0,0,0|3,0,0]=3 265 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,0,0,0,0,0|3,0,0]=3 266 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,0,0,0,0,0|3,0,0]=3 267 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,0,0,0,0,0|3,0,0]=3 268 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,0,0,0,0,0|3,0,1]=4 269 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,0,0,0,0,0|3,0,1]=4 270 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,0,0,0,0,0|3,0,1]=4 271 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,0,0,0,0,0|3,0,1]=4 272 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,0,0,0,0|3,0,0]=3 273 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,0,0,0,0|3,0,0]=3 274 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,0,0,0,0|3,0,0]=3 275 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,0,0,0,0,0|4,0,0]=4 276 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,0,0,0,0,0|4,0,0]=4 277 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,0,0,0,0,0|4,0,0]=4 278 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,0,0,0,0,0|4,0,0]=4 279 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,0,0,0,0,0|4,0,0]=4 280 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,0,0,0,0,0|4,0,0]=4 281 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,0,0,0,0,0|4,0,0]=4 282 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,0,0,0,0,0|4,0,0]=4 283 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,0,0,0,0,0|4,0,0]=4 284 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,0,0,0,0,0|4,0,0]=4 285 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,0,0,0,0,0|4,0,0]=4 286 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,0,0,0,0,0|4,0,0]=4 287 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,0,0,0,0,0|4,0,0]=4 288 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,0,0,0,0,0|4,0,0]=4 289 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,0,0,0,0|3,0,0]=3 290 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,0,0,0,0|3,0,0]=3 291 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,0,0,0,0|3,0,0]=3 292 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,0,0,0,0|3,0,0]=3 293 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,0,0,0,0,0|4,0,0]=4 294 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,0,0,0,0,0|4,0,0]=4 295 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,0,0,0,0,0|4,0,0]=4 296 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,0,0,0,0,0|4,0,0]=4 297 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,0,0,0,0,0|4,0,0]=4 298 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,0,0,0,0,0|4,0,0]=4 299 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,0,0,0,0,0|4,0,0]=4 300 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,0,0,0,0,0|4,0,0]=4 301 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,0,0,0,0,0|4,0,0]=4 302 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,0,0,0,0,0|4,0,0]=4 303 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,0,0,0,0,0|4,0,0]=4 304 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,0,0,0,0,0|4,0,0]=4 305 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,0,0,0,0,0|4,0,0]=4 306 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,0,0,0,0,0|4,0,0]=4 307 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,0,0,0,0,0|4,0,0]=4 308 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,0,0,0,0,0|4,0,0]=4 309 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,0,0,0,0,0|4,0,0]=4 310 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,0,0,0,0,0|4,0,0]=4 311 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,0,0,0,0,0|4,0,0]=4 312 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,0,0,0,0,0|4,0,0]=4 313 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,0,0,0,0,0|4,0,0]=4 314 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,0,0,0,0|3,0,0]=3 315 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,0,0,0,0|3,0,0]=3 316 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,0,0,0,0,0|4,0,0]=4 317 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,0,0,0,0,0|4,0,0]=4 318 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,0,0,0,0,0|3,0,1]=4 319 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,0,0,0,0,0|3,0,1]=4 320 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,0,0,0,0,0|3,0,1]=4 321 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,0,0,0,0,0|3,0,1]=4 322 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,0,0,0,0,0|3,0,1]=4 323 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,0,0,0,0,0|3,0,1]=4 324 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,0,0,0,0,0|3,0,1]=4 325 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,0,0,0,0,0|3,0,1]=4 326 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,0,0,0,0,0|3,0,1]=4 327 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,0,0,0,0,0|3,0,1]=4 328 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,0,0,0,0,0|3,0,1]=4 329 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,0,0,0,0,0|3,0,1]=4 330 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,0,0,0,0,0|3,0,1]=4 331 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,0,0,0,0,0|3,0,1]=4 332 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,0,0,0,0,0|3,0,1]=4 333 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,0,0,0,0,0|3,0,1]=4 334 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,0,0,0,0,0|3,0,1]=4 335 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,0,0,0,0,0|3,0,1]=4 336 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,0,0,0,0,0|3,0,1]=4 337 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,0,0,0,0,0|3,0,1]=4 338 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,0,0,0,0,0|3,0,1]=4 339 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,0,0,0,0,0|3,0,1]=4 340 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,0,0,0,0,0|3,0,1]=4 341 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,0,0,0,0,0|3,0,1]=4 342 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,0,0,0,0,0|3,0,1]=4 343 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,0,0,0,0,0|3,0,1]=4 344 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,0,0,0,0,0|3,0,1]=4 345 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,0,0,0,0,0|3,0,1]=4 346 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,0,0,0,0,0|3,0,1]=4 347 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,0,0,0,0,0|3,0,1]=4 348 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,0,0,0,0,0|3,0,1]=4 349 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,0,0,0,0,0|3,0,1]=4 350 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,0,0,0,0,0|3,0,1]=4 351 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,0,0,0,0,0|3,0,1]=4 352 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,0,0,0,0,0|3,0,1]=4 353 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,0,0,0,0,0|3,0,1]=4 354 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,0,0,0,0,0|3,0,1]=4 355 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,0,0,0,0,0|3,0,1]=4 356 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,0,0,0,0,0|3,0,1]=4 357 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,0,0,0,0,0|3,0,1]=4 358 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,0,0,0,0,0|3,0,1]=4 359 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,0,0,0,0,0|3,0,1]=4 360 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,0,0,0,0,0|3,0,1]=4 361 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,0,0,0,0,0|3,0,1]=4 362 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [0,0,0,0,0,0|2,0,2]=4 363 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,0,0,0,0,0|1,0,2]=3 364 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,0,0,0,0,0|2,0,2]=4 365 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [0,0,0,0,0,0|2,0,2]=4 366 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [0,0,0,0,0,0|1,0,3]=4 367 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [0,0,0,0,0,0|2,0,2]=4 368 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [0,0,0,0,0,0|2,0,2]=4 369 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [0,0,0,0,0,0|1,0,3]=4 370 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [0,0,0,0,0,0|1,0,3]=4 371 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,0,0,0,0,0|2,0,2]=4 372 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,0,0,0,0,0|2,0,2]=4 373 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [0,0,0,0,0,0|2,0,2]=4 374 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [0,0,0,0,0,0|2,0,2]=4 375 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,0,0,0,0,0|2,0,2]=4 376 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,0,0,0,0,0|2,0,2]=4 377 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,0,0,0,0,0|2,0,2]=4 378 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,0,0,0,0,0|2,0,2]=4 379 B9R0.2 CCC#CCNCC(=O)N 2230a_100000711301_100009813939 [0,0,0,0,0,0|2,0,2]=4 380 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,0,0,0,0,0|1,0,2]=3 381 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [0,0,0,0,0,0|2,0,2]=4 382 B9R0.2 CCC#CCOCC(=O)N 34a_100000032950_100000187820 [0,0,0,0,0,0|2,0,2]=4 383 B9R0.2 CCC#CCOCC(=O)[O-] 34a_100000032950_100020667443 [0,0,0,0,0,0|1,0,3]=4 384 B9R0.2 CCC#CCSCC(=O)N 62a_100000747473_100009813939 [0,0,0,0,0,0|2,0,2]=4 385 B9R0.2 CCC#CCSCC(=O)N 62a_100009813939_100000747473 [0,0,0,0,0,0|2,0,2]=4 386 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100009813939_100020667443 [0,0,0,0,0,0|1,0,3]=4 387 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100020667443_100009813939 [0,0,0,0,0,0|1,0,3]=4 388 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,0,0,0,0,0|1,0,2]=3 389 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,0,0,0,0,0|1,0,2]=3 390 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,0,0,0,0,0|3,0,1]=4 391 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,0,0,0,0|1,0,2]=3 392 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,0,0,0,0|1,0,2]=3 393 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,0,0,0,0|1,0,2]=3 394 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,0,0,0,0|1,0,2]=3 395 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,0,0,0,0|1,0,0]=1 396 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,0,0,0,0|1,0,0]=1 397 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,0,0,0,0|1,0,0]=1 398 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,0,0,0,0,0|3,0,0]=3 399 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,0,0,0,0,0|3,0,0]=3 400 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,0,0,0,0,0|3,0,0]=3 401 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,0,0,0,0,0|3,0,0]=3 402 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,0,0,0,0,0|3,0,0]=3 403 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,0,0,0,0,0|3,0,0]=3 404 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,0,0,0,0|2,0,0]=2 405 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,0,0,0,0|2,0,0]=2 406 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,0,0,0,0|2,0,0]=2 407 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,0,0,0,0|2,0,0]=2 408 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,0,0,0,0,0|3,0,1]=4 409 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,0,0,0,0,0|3,0,1]=4 410 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,0,0,0,0,0|3,0,1]=4 411 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,0,0,0,0,0|3,0,1]=4 412 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,0,0,0,0,0|3,0,1]=4 413 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,0,0,0,0,0|3,0,1]=4 414 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,0,0,0,0,0|3,0,1]=4 415 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,0,0,0,0,0|3,0,1]=4 416 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,0,0,0,0,0|2,0,0]=2 417 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,0,0,0,0,0|2,0,0]=2 418 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,0,0,0,0,0|1,0,0]=1 419 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,0,0,0,0,0|3,0,1]=4 420 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,0,0,0,0,0|3,0,1]=4 421 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,0,0,0,0,0|3,0,1]=4 422 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,0,0,0,0,0|3,0,1]=4 423 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,0,0,0,0,0|2,0,1]=3 424 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,0,0,0,0,0|2,0,1]=3 425 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,0,0,0,0,0|2,0,1]=3 426 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [0,0,0,0,0,0|3,0,1]=4 427 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [0,0,0,0,0,0|3,0,1]=4 428 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,0,0,0,0,0|2,0,1]=3 429 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,0,0,0,0|3,0,0]=3 430 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,0,0,0,0|2,0,0]=2 431 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,0,0,0,0,0|2,0,0]=2 432 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,0,0,0,0,0|2,0,0]=2 433 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,0,0,0,0,0|1,0,1]=2 434 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,0,0,0,0,0|3,0,1]=4 435 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,0,0,0,0,0|3,0,1]=4 436 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,0,0,0,0,0|3,0,1]=4 437 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,0,0,0,0,0|3,0,1]=4 438 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,0,0,0,0,0|3,0,1]=4 439 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,0,0,0,0,0|2,0,1]=3 440 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,0,0,0,0,0|2,0,1]=3 441 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [0,0,0,0,0,0|3,0,1]=4 442 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [0,0,0,0,0,0|3,0,1]=4 443 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [0,0,0,0,0,0|3,0,1]=4 444 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,0,0,0,0,0|3,0,1]=4 445 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,0,0,0,0,0|3,0,1]=4 446 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,0,0,0,0,0|2,0,1]=3 447 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,0,0,0,0,0|2,0,1]=3 448 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,0,0,0,0,0|2,0,1]=3 449 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,0,0,0,0,0|2,0,0]=2 450 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,0,0,0,0,0|2,0,0]=2 451 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,0,0,0,0,0|1,0,1]=2 452 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,0,0,0,0,0|1,0,1]=2 453 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,0,0,0,0,0|3,0,1]=4 454 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,0,0,0,0,0|3,0,1]=4 455 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,0,0,0,0,0|2,0,1]=3 456 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,0,0,0,0,0|2,0,1]=3 457 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,0,0,0,0,0|3,0,1]=4 458 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,0,0,0,0,0|3,0,1]=4 459 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,0,0,0,0,0|2,0,1]=3 460 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,0,0,0,0,0|2,0,1]=3 461 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,0,0,0,0,0|2,0,1]=3 462 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,0,0,0,0,0|3,0,1]=4 463 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,0,0,0,0,0|3,0,1]=4 464 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,0,0,0,0,0|3,0,1]=4 465 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,0,0,0,0|2,0,0]=2 466 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,0,0,0,0,0|2,0,0]=2 467 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,0,0,0,0,0|2,0,0]=2 468 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,0,0,0,0,0|3,0,1]=4 469 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,0,0,0,0,0|3,0,1]=4 470 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,0,0,0,0,0|3,0,1]=4 471 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,0,0,0,0,0|2,0,1]=3 472 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,0,0,0,0,0|2,0,1]=3 473 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,0,0,0,0,0|2,0,1]=3 474 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,0,0,0,0,0|4,0,0]=4 475 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,0,0,0,0,0|2,0,0]=2 476 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,0,0,0,0,0|3,0,1]=4 477 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,0,0,0,0,0|3,0,1]=4 478 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,0,0,0,0,0|3,0,1]=4 479 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,0,0,0,0|2,0,0]=2 480 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,0,0,0,0|2,0,0]=2 481 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,0,0,0,0|2,0,0]=2 482 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,0,0,0,0|2,0,0]=2 483 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,0,0,0,0,0|2,0,0]=2 484 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,0,0,0,0,0|2,0,0]=2 485 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,0,0,0,0,0|2,0,0]=2 486 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,0,0,0,0,0|2,0,0]=2 487 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,0,0,0,0,0|3,0,1]=4 488 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,0,0,0,0,0|3,0,1]=4 489 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,0,0,0,0,0|3,0,1]=4 490 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,0,0,0,0,0|3,0,1]=4 491 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,0,0,0,0,0|3,0,1]=4 492 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,0,0,0,0,0|2,0,1]=3 493 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,0,0,0,0,0|2,0,1]=3 494 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,0,0,0,0,0|3,0,1]=4 495 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,0,0,0,0,0|4,0,0]=4 496 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,0,0,0,0,0|4,0,0]=4 497 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,0,0,0,0,0|4,0,0]=4 498 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,0,0,0,0,0|3,0,1]=4 499 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,0,0,0,0|3,0,0]=3 500 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,0,0,0,0,0|3,0,1]=4 501 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,0,0,0,0,0|3,0,1]=4 502 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,0,0,0,0|2,0,0]=2 503 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,0,0,0,0|2,0,0]=2 504 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,0,0,0,0,0|2,0,0]=2 505 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,0,0,0,0,0|2,0,0]=2 506 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,0,0,0,0,0|3,0,1]=4 507 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,0,0,0,0,0|3,0,1]=4 508 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,0,0,0,0,0|2,0,1]=3 509 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,0,0,0,0,0|2,0,1]=3 510 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,0,0,0,0,0|4,0,0]=4 511 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,0,0,0,0|3,0,0]=3 512 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,0,0,0,0|3,0,0]=3 513 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,0,0,0,0|2,0,0]=2 514 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,0,0,0,0,0|3,0,1]=4 515 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,0,0,0,0,0|3,0,1]=4 516 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,0,0,0,0|3,0,0]=3 517 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,0,0,0,0|3,0,0]=3 518 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,0,0,0,0,0|3,0,0]=3 519 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,0,0,0,0,0|3,0,1]=4 520 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,0,0,0,0,0|3,0,1]=4 521 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,0,0,0,0|2,0,0]=2 522 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,0,0,0,0|2,0,0]=2 523 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,0,0,0,0|2,0,0]=2 524 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,0,0,0,0|2,0,0]=2 525 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,0,0,0,0,0|3,0,1]=4 526 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,0,0,0,0,0|3,0,1]=4 527 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,0,0,0,0,0|3,0,1]=4 528 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,0,0,0,0,0|2,0,1]=3 529 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,0,0,0,0,0|2,0,1]=3 530 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,0,0,0,0|3,0,0]=3 531 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,0,0,0,0|3,0,0]=3 532 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,0,0,0,0|3,0,0]=3 533 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,0,0,0,0|3,0,0]=3 534 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,0,0,0,0,0|3,0,0]=3 535 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,0,0,0,0|3,0,0]=3 536 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,0,0,0,0,0|3,0,0]=3 537 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,0,0,0,0,0|3,0,0]=3 538 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,0,0,0,0,0|3,0,1]=4 539 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,0,0,0,0,0|3,0,1]=4 540 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,0,0,0,0,0|3,0,1]=4 541 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,0,0,0,0,0|3,0,1]=4 542 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,0,0,0,0|2,0,0]=2 543 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,0,0,0,0|2,0,0]=2 544 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,0,0,0,0|2,0,0]=2 545 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,0,0,0,0|2,0,0]=2 546 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,0,0,0,0,0|3,0,1]=4 547 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,0,0,0,0,0|3,0,1]=4 548 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,0,0,0,0,0|2,0,1]=3 549 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,0,0,0,0,0|2,0,1]=3 550 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,0,0,0,0,0|4,0,0]=4 551 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,0,0,0,0|3,0,0]=3 552 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,0,0,0,0|3,0,0]=3 553 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,0,0,0,0|3,0,0]=3 554 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,0,0,0,0|3,0,0]=3 555 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,0,0,0,0|3,0,0]=3 556 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,0,0,0,0,0|3,0,0]=3 557 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,0,0,0,0,0|3,0,0]=3 558 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,0,0,0,0|3,0,0]=3 559 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,0,0,0,0|3,0,0]=3 560 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,0,0,0,0,0|3,0,0]=3 561 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,0,0,0,0,0|3,0,0]=3 562 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,0,0,0,0,0|2,0,1]=3 563 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,0,0,0,0,0|2,0,0]=2 564 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,0,0,0,0,0|3,0,1]=4 565 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,0,0,0,0|3,0,0]=3 566 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,0,0,0,0,0|3,1,0]=4 567 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,0,0,0,0|3,0,0]=3 568 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,0,0,0,0,0|3,0,0]=3 569 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,0,0,0,0,0|2,0,0]=2 570 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,0,0,0,0,0|2,0,1]=3 571 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,0,0,0,0|2,0,0]=2 572 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,0,0,0,0,0|2,0,0]=2 573 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,0,0,0,0,0|2,0,0]=2 574 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,0,0,0,0,0|3,0,1]=4 575 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,0,0,0,0,0|3,0,1]=4 576 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,0,0,0,0,0|3,0,1]=4 577 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,0,0,0,0,0|2,0,1]=3 578 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,0,0,0,0,0|2,0,1]=3 579 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,0,0,0,0|3,0,0]=3 580 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,0,0,0,0|3,0,0]=3 581 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,0,0,0,0|3,0,0]=3 582 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,0,0,0,0|3,0,0]=3 583 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,0,0,0,0|3,0,0]=3 584 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,0,0,0,0|3,0,0]=3 585 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,0,0,0,0,0|3,1,0]=4 586 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,0,0,0,0|3,0,0]=3 587 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,0,0,0,0,0|3,0,0]=3 588 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,0,0,0,0,0|3,0,0]=3 589 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,0,0,0,0,0|3,0,0]=3 590 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,0,0,0,0,0|2,0,0]=2 591 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,0,0,0,0,0|2,0,1]=3 592 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,0,0,0,0,0|3,0,1]=4 593 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,0,0,0,0,0|3,0,1]=4 594 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,0,0,0,0,0|3,0,1]=4 595 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,0,0,0,0,0|3,0,1]=4 596 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,0,0,0,0,0|3,0,1]=4 597 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,0,0,0,0,0|3,0,1]=4 598 B9R0.2 CCOCCNC[N+](=O)[O-] 34a_102516460346_100000761209 [0,0,0,0,0,0|3,0,1]=4 599 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,0,0,0,0,0|4,0,0]=4 600 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,0,0,0,0,0|3,0,0]=3 601 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,0,0,0,0,0|3,0,0]=3 602 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,0,0,0,0,0|3,0,0]=3 603 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,0,0,0,0,0|3,0,0]=3 604 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,0,0,0,0,0|2,0,1]=3 605 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,0,0,0,0,0|3,0,1]=4 606 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,0,0,0,0,0|3,0,1]=4 607 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,0,0,0,0,0|3,0,1]=4 608 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,0,0,0,0,0|3,0,1]=4 609 B9R0.2 CCOCCOC[N+](=O)[O-] 34a_100000210136_100000761209 [0,0,0,0,0,0|3,0,1]=4 610 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,0,0,0,0,0|3,0,0]=3 611 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,0,0,0,0,0|3,0,0]=3 612 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,0,0,0,0,0|2,0,1]=3 613 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,0,0,0,0,0|2,0,1]=3 614 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,0,0,0,0,0|3,0,1]=4 615 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,0,0,0,0,0|3,0,1]=4 616 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,0,0,0,0,0|3,0,1]=4 617 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,0,0,0,0,0|3,0,1]=4 618 B9R0.2 CCOCCSC[N+](=O)[O-] 62a_100000210147_100000761209 [0,0,0,0,0,0|3,0,1]=4 619 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,0,0,0,0,0|3,0,0]=3 620 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,0,0,0,0,0|3,0,0]=3 621 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,0,0,0,0,0|3,0,0]=3 622 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,0,0,0,0,0|3,0,0]=3 623 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,0,0,0,0,0|3,0,0]=3 624 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,0,0,0,0,0|3,0,1]=4 625 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,0,0,0,0,0|3,0,1]=4 626 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,0,0,0,0,0|4,0,0]=4 627 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,0,0,0,0,0|4,0,0]=4 628 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,0,0,0,0,0|2,0,1]=3 629 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,0,0,0,0,0|2,0,1]=3 630 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,0,0,0,0|2,0,0]=2 631 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,0,0,0,0|2,0,0]=2 632 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,0,0,0,0,0|3,0,1]=4 633 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,0,0,0,0,0|3,0,1]=4 634 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,0,0,0,0,0|4,0,0]=4 635 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,0,0,0,0|3,0,0]=3 636 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,0,0,0,0|3,0,0]=3 637 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,0,0,0,0,0|3,1,0]=4 638 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,0,0,0,0,0|3,1,0]=4 639 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,0,0,0,0|3,0,0]=3 640 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,0,0,0,0|3,0,0]=3 641 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,0,0,0,0,0|3,0,0]=3 642 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,0,0,0,0,0|3,0,0]=3 643 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,0,0,0,0,0|2,0,0]=2 644 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,0,0,0,0,0|3,0,1]=4 645 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,0,0,0,0,0|3,0,1]=4 646 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,0,0,0,0,0|3,0,1]=4 647 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,0,0,0,0,0|3,0,1]=4 648 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,0,0,0,0,0|3,0,0]=3 649 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,0,0,0,0,0|3,0,0]=3 650 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,0,0,0,0,0|3,0,0]=3 651 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,0,0,0,0,0|3,0,0]=3 652 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,0,0,0,0,0|3,0,0]=3 653 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,0,0,0,0,0|2,0,1]=3 654 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,0,0,0,0,0|3,0,1]=4 655 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,0,0,0,0,0|3,0,1]=4 656 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,0,0,0,0,0|3,0,1]=4 657 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,0,0,0,0,0|3,0,1]=4 658 B9R0.2 CCSCCOC[N+](=O)[O-] 34a_100000212035_100000761209 [0,0,0,0,0,0|3,0,1]=4 659 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,0,0,0,0,0|3,0,0]=3 660 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,0,0,0,0,0|3,0,0]=3 661 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,0,0,0,0,0|2,0,1]=3 662 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,0,0,0,0,0|2,0,1]=3 663 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,0,0,0,0,0|3,0,1]=4 664 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,0,0,0,0,0|3,0,1]=4 665 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,0,0,0,0,0|3,0,1]=4 666 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,0,0,0,0,0|3,0,1]=4 667 B9R0.2 CCSCCSC[N+](=O)[O-] 62a_100000757381_100000761209 [0,0,0,0,0,0|3,0,1]=4 668 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,0,0,0,0,0|4,0,0]=4 669 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,0,0,0,0,0|4,0,0]=4 670 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,0,0,0,0,0|4,0,0]=4 671 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,0,0,0,0,0|4,0,0]=4 672 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,0,0,0,0,0|2,0,1]=3 673 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,0,0,0,0,0|2,0,1]=3 674 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,0,0,0,0,0|2,0,1]=3 675 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,0,0,0,0,0|2,0,0]=2 676 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,0,0,0,0,0|2,0,0]=2 677 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,0,0,0,0,0|2,0,0]=2 678 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,0,0,0,0,0|3,0,1]=4 679 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,0,0,0,0,0|3,0,1]=4 680 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,0,0,0,0,0|3,0,1]=4 681 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,0,0,0,0,0|3,0,1]=4 682 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,0,0,0,0,0|3,0,1]=4 683 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,0,0,0,0|3,0,0]=3 684 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,0,0,0,0|3,0,0]=3 685 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,0,0,0,0|3,0,0]=3 686 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,0,0,0,0|3,0,0]=3 687 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,0,0,0,0,0|3,0,1]=4 688 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,0,0,0,0,0|3,0,1]=4 689 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,0,0,0,0|3,0,0]=3 690 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,0,0,0,0|3,0,0]=3 691 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,0,0,0,0|3,0,0]=3 692 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,0,0,0,0,0|3,0,0]=3 693 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,0,0,0,0,0|2,0,1]=3 694 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,0,0,0,0,0|3,0,1]=4 695 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,0,0,0,0,0|3,0,1]=4 696 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [0,0,0,0,0,0|3,0,1]=4 697 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,0,0,0,0,0|4,0,0]=4 698 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,0,0,0,0,0|2,0,1]=3 699 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,0,0,0,0|2,0,0]=2 700 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,0,0,0,0,0|2,0,0]=2 701 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,0,0,0,0,0|2,0,0]=2 702 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,0,0,0,0,0|2,0,0]=2 703 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,0,0,0,0|2,0,0]=2 704 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,0,0,0,0,0|1,0,1]=2 705 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,0,0,0,0,0|3,0,1]=4 706 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,0,0,0,0,0|3,0,1]=4 707 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,0,0,0,0,0|3,0,1]=4 708 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,0,0,0,0|3,0,0]=3 709 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,0,0,0,0|3,0,0]=3 710 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,0,0,0,0|3,0,0]=3 711 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,0,0,0,0,0|3,0,1]=4 712 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,0,0,0,0|3,0,0]=3 713 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,0,0,0,0,0|3,0,0]=3 714 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,0,0,0,0,0|3,0,0]=3 715 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,0,0,0,0,0|2,0,0]=2 716 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,0,0,0,0,0|2,0,1]=3 717 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,0,0,0,0,0|3,0,1]=4 718 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,0,0,0,0,0|3,0,1]=4 719 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,0,0,0,0,0|3,0,1]=4 720 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,0,0,0,0,0|3,0,1]=4 721 B9R0.2 COCCCNC[N+](=O)[O-] 34a_100150723488_100000761209 [0,0,0,0,0,0|3,0,1]=4 722 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,0,0,0,0,0|4,0,0]=4 723 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,0,0,0,0,0|3,0,0]=3 724 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,0,0,0,0,0|3,0,0]=3 725 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,0,0,0,0,0|2,0,1]=3 726 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,0,0,0,0,0|3,0,1]=4 727 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,0,0,0,0,0|3,0,1]=4 728 B9R0.2 COCCCOC[N+](=O)[O-] 34a_100000740835_100000761209 [0,0,0,0,0,0|3,0,1]=4 729 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,0,0,0,0,0|3,0,0]=3 730 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,0,0,0,0,0|3,0,0]=3 731 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,0,0,0,0,0|2,0,1]=3 732 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,0,0,0,0,0|2,0,1]=3 733 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,0,0,0,0,0|3,0,1]=4 734 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,0,0,0,0,0|3,0,1]=4 735 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,0,0,0,0,0|3,0,1]=4 736 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,0,0,0,0,0|3,0,1]=4 737 B9R0.2 COCCCSC[N+](=O)[O-] 62a_100000709357_100000761209 [0,0,0,0,0,0|3,0,1]=4 738 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,0,0,0,0,0|3,0,0]=3 739 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,0,0,0,0,0|3,0,1]=4 740 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,0,0,0,0,0|3,0,1]=4 741 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,0,0,0,0,0|3,0,0]=3 742 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,0,0,0,0,0|3,0,0]=3 743 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,0,0,0,0,0|3,0,0]=3 744 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,0,0,0,0,0|3,0,0]=3 745 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,0,0,0,0,0|3,0,0]=3 746 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,0,0,0,0,0|3,0,0]=3 747 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,0,0,0,0,0|3,0,0]=3 748 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,0,0,0,0,0|3,0,0]=3 749 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,0,0,0,0,0|3,0,0]=3 750 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,0,0,0,0,0|3,0,1]=4 751 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,0,0,0,0,0|4,0,0]=4 752 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,0,0,0,0,0|3,0,0]=3 753 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,0,0,0,0,0|3,0,0]=3 754 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,0,0,0,0,0|3,0,0]=3 755 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,0,0,0,0,0|3,0,0]=3 756 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,0,0,0,0,0|3,0,1]=4 757 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,0,0,0,0,0|3,0,1]=4 758 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,0,0,0,0,0|4,0,0]=4 759 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,0,0,0,0,0|4,0,0]=4 760 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,0,0,0,0,0|4,0,0]=4 761 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,0,0,0,0,0|4,0,0]=4 762 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,0,0,0,0,0|4,0,0]=4 763 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,0,0,0,0,0|3,0,0]=3 764 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,0,0,0,0,0|3,0,0]=3 765 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,0,0,0,0,0|3,0,0]=3 766 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,0,0,0,0,0|3,0,0]=3 767 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,0,0,0,0,0|3,0,1]=4 768 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,0,0,0,0,0|3,0,1]=4 769 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,0,0,0,0,0|4,0,0]=4 770 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,0,0,0,0,0|4,0,0]=4 771 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,0,0,0,0,0|4,0,0]=4 772 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,0,0,0,0,0|4,0,0]=4 773 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,0,0,0,0,0|4,0,0]=4 774 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,0,0,0,0,0|4,0,0]=4 775 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,0,0,0,0,0|4,0,0]=4 776 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,0,0,0,0,0|4,0,0]=4 777 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,0,0,0,0,0|4,0,0]=4 778 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,0,0,0,0,0|4,0,0]=4 779 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,0,0,0,0,0|2,0,1]=3 780 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,0,0,0,0,0|2,0,1]=3 781 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,0,0,0,0,0|2,0,0]=2 782 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,0,0,0,0,0|2,0,0]=2 783 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,0,0,0,0,0|3,0,1]=4 784 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,0,0,0,0,0|3,0,1]=4 785 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,0,0,0,0|3,0,0]=3 786 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,0,0,0,0|3,0,0]=3 787 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,0,0,0,0,0|3,0,1]=4 788 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,0,0,0,0|3,0,0]=3 789 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,0,0,0,0|3,0,0]=3 790 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,0,0,0,0,0|3,0,0]=3 791 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,0,0,0,0,0|3,0,1]=4 792 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,0,0,0,0,0|3,0,1]=4 793 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,0,0,0,0,0|3,0,0]=3 794 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,0,0,0,0,0|3,0,0]=3 795 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,0,0,0,0,0|2,0,1]=3 796 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,0,0,0,0,0|3,0,1]=4 797 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,0,0,0,0,0|3,0,1]=4 798 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,0,0,0,0,0|3,0,1]=4 799 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,0,0,0,0,0|3,0,1]=4 800 B9R0.2 CSCCCOC[N+](=O)[O-] 34a_100000690336_100000761209 [0,0,0,0,0,0|3,0,1]=4 801 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,0,0,0,0,0|3,0,0]=3 802 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,0,0,0,0,0|3,0,1]=4 803 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,0,0,0,0,0|3,0,1]=4 804 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,0,0,0,0,0|3,0,0]=3 805 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,0,0,0,0,0|3,0,0]=3 806 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,0,0,0,0,0|3,0,0]=3 807 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,0,0,0,0,0|3,0,0]=3 808 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,0,0,0,0,0|3,0,0]=3 809 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,0,0,0,0,0|3,0,0]=3 810 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,0,0,0,0,0|3,0,0]=3 811 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,0,0,0,0,0|3,0,0]=3 812 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,0,0,0,0,0|3,0,1]=4 813 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,0,0,0,0,0|3,0,1]=4 814 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,0,0,0,0,0|4,0,0]=4 815 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,0,0,0,0,0|3,0,0]=3 816 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,0,0,0,0,0|3,0,0]=3 817 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,0,0,0,0,0|3,0,0]=3 818 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,0,0,0,0,0|3,0,0]=3 819 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,0,0,0,0,0|3,0,1]=4 820 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,0,0,0,0,0|3,0,1]=4 821 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,0,0,0,0,0|4,0,0]=4 822 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,0,0,0,0,0|4,0,0]=4 823 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,0,0,0,0,0|3,0,0]=3 824 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,0,0,0,0,0|4,0,0]=4 825 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,0,0,0,0,0|4,0,0]=4 826 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,0,0,0,0,0|4,0,0]=4 827 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,0,0,0,0,0|3,0,0]=3 828 B9R0.2 CSCOCCC[N+](=O)[O-] 34a_200000037920_100011218213 [0,0,0,0,0,0|3,0,1]=4 829 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,0,0,0,0,0|4,0,0]=4 830 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,0,0,0,0,0|4,0,0]=4 831 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,0,0,0,0,0|4,0,0]=4 832 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,0,0,0,0,0|4,0,0]=4 833 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,0,0,0,0,0|3,0,0]=3 834 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,0,0,0,0,0|3,0,0]=3 835 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,0,0,0,0,0|3,0,0]=3 836 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,0,0,0,0,0|3,0,0]=3 837 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,0,0,0,0,0|3,0,1]=4 838 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,0,0,0,0,0|3,0,1]=4 839 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,0,0,0,0,0|4,0,0]=4 840 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,0,0,0,0,0|4,0,0]=4 841 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [0,0,0,0,0,0|4,0,0]=4 842 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [0,0,0,0,0,0|4,0,0]=4 843 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,0,0,0,0,0|4,0,0]=4 844 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,0,0,0,0,0|4,0,0]=4 845 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,0,0,0,0,0|4,0,0]=4 846 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,0,0,0,0,0|4,0,0]=4 847 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,0,0,0,0,0|3,0,1]=4 848 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,0,0,0,0,0|3,0,1]=4 849 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,0,0,0,0,0|3,0,1]=4 850 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,0,0,0,0,0|3,0,1]=4 851 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,0,0,0,0,0|3,0,1]=4 852 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,0,0,0,0,0|3,0,1]=4 853 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,0,0,0,0,0|3,0,1]=4 854 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,0,0,0,0,0|3,0,1]=4 855 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,0,0,0,0,0|3,0,1]=4 856 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,0,0,0,0,0|3,0,1]=4 857 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,0,0,0,0,0|3,0,1]=4 858 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,0,0,0,0,0|3,0,1]=4 859 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,0,0,0,0,0|3,0,1]=4 860 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [0,0,0,0,0,0|3,0,1]=4 861 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,0,0,0,0,0|2,0,1]=3 862 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [0,0,0,0,0,0|3,0,1]=4 863 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [0,0,0,0,0,0|3,0,1]=4 864 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100000687738_100020667443 [0,0,0,0,0,0|2,0,2]=4 865 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100020667443_100000687738 [0,0,0,0,0,0|2,0,2]=4 866 B9R0.2 N#CCCNOCC(=O)O 269956a_100000106656_100011215226 [0,0,0,0,0,0|3,0,1]=4 867 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [0,0,0,0,0,0|3,0,1]=4 868 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [0,0,0,0,0,0|3,0,1]=4 869 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [0,0,0,0,0,0|3,0,1]=4 870 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [0,0,0,0,0,0|3,0,1]=4 871 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [0,0,0,0,0,0|3,0,1]=4 872 B9R0.2 N#CSCCNCC(=O)O 269956a_100016091260_100000034367 [0,0,0,0,0,0|3,0,1]=4 873 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,0,0,0,0,0|3,0,0]=3 874 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,0,0,0,0,0|3,0,0]=3 875 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,0,0,0,0,0|3,0,0]=3 876 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,0,0,0,0,0|3,0,1]=4 877 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,0,0,0,0,0|3,0,0]=3 878 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,0,0,0,0,0|3,0,0]=3 879 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,0,0,0,0,0|3,0,0]=3 880 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,0,0,0,0,0|3,0,0]=3 881 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,0,0,0,0,0|3,0,0]=3 882 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,0,0,0,0,0|3,0,1]=4 883 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,0,0,0,0,0|3,0,1]=4 884 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,0,0,0,0,0|3,0,0]=3 885 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,0,0,0,0,0|3,0,0]=3 886 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,0,0,0,0,0|3,0,0]=3 887 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,0,0,0,0,0|3,0,0]=3 888 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,0,0,0,0,0|3,0,0]=3 889 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,0,0,0,0,0|3,0,0]=3 890 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,0,0,0,0,0|3,0,0]=3 891 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,0,0,0,0,0|3,0,0]=3 892 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,0,0,0,0,0|3,0,0]=3 893 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,0,0,0,0,0|3,0,0]=3 894 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,0,0,0,0,0|3,0,0]=3 895 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,0,0,0,0,0|3,0,0]=3 896 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,0,0,0,0,0|3,0,0]=3 897 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,0,0,0,0,0|3,0,0]=3 898 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,0,0,0,0,0|3,0,0]=3 899 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,0,0,0,0,0|3,0,0]=3 900 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,0,0,0,0,0|3,0,0]=3 901 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,0,0,0,0,0|3,0,1]=4 902 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,0,0,0,0,0|3,0,0]=3 903 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,0,0,0,0,0|3,0,0]=3 904 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,0,0,0,0,0|3,0,0]=3 905 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,0,0,0,0,0|3,0,0]=3 906 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,0,0,0,0,0|3,0,0]=3 907 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,0,0,0,0,0|3,0,0]=3 908 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,0,0,0,0,0|3,0,0]=3 909 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,0,0,0,0,0|3,0,0]=3 910 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,0,0,0,0,0|3,0,0]=3 911 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,0,0,0,0,0|3,0,0]=3 912 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [0,0,0,0,0,0|4,0,0]=4 913 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [0,0,0,0,0,0|4,0,0]=4 914 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,0,0,0,0,0|3,0,1]=4 915 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,0,0,0,0,0|3,0,1]=4 916 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,0,0,0,0,0|3,0,0]=3 917 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,0,0,0,0,0|3,0,0]=3 918 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,0,0,0,0,0|3,0,0]=3 919 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,0,0,0,0,0|3,0,0]=3 920 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,0,0,0,0,0|4,0,0]=4 921 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,0,0,0,0,0|4,0,0]=4 922 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,0,0,0,0,0|4,0,0]=4 923 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,0,0,0,0,0|4,0,0]=4 924 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,0,0,0,0,0|4,0,0]=4 925 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,0,0,0,0,0|4,0,0]=4 926 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,0,0,0,0,0|4,0,0]=4 927 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,0,0,0,0,0|4,0,0]=4 928 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,0,0,0,0,0|4,0,0]=4 929 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,0,0,0,0,0|4,0,0]=4 930 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,0,0,0,0,0|4,0,0]=4 931 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,0,0,0,0,0|4,0,0]=4 932 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,0,0,0,0,0|4,0,0]=4 933 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,0,0,0,0,0|4,0,0]=4 934 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,0,0,0,0,0|4,0,0]=4 935 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,0,0,0,0,0|4,0,0]=4 936 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,0,0,0,0,0|4,0,0]=4 937 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,0,0,0,0,0|4,0,0]=4 938 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,0,0,0,0,0|3,0,0]=3 939 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,0,0,0,0,0|2,0,1]=3 940 B9R0.2 NCCCCOC[N+](=O)[O-] 34a_100000750430_100000761209 [0,0,0,0,0,0|3,0,1]=4 941 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,0,0,0,0,0|3,0,0]=3 942 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,0,0,0,0,0|3,0,0]=3 943 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,0,0,0,0,0|4,0,0]=4 944 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,0,0,0,0,0|4,0,0]=4 945 B9R0.2 O=C(O)CNCC#CCO 269956a_100016091260_200000047223 [0,0,0,0,0,0|2,0,2]=4 946 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,0,0,0,0,0|2,0,0]=2 947 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,0,0,0,0,0|2,0,0]=2 948 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,0,0,0,0,0|3,0,0]=3 949 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,0,0,0,0,0|3,0,0]=3 950 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,0,0,0,0,0|3,0,0]=3 951 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,0,0,0,0,0|2,0,1]=3 952 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,0,0,0,0,0|2,0,1]=3 953 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,0,0,0,0,0|2,0,1]=3 954 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,0,0,0,0,0|2,0,1]=3 955 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,0,0,0,0,0|2,0,1]=3 956 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,0,0,0,0,0|2,0,1]=3 957 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,0,0,0,0,0|2,0,1]=3 958 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,0,0,0,0,0|2,0,1]=3 959 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,0,0,0,0,0|2,0,1]=3 960 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,0,0,0,0,0|2,0,1]=3 961 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,0,0,0,0,0|2,0,2]=4 962 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,0,0,0,0,0|2,0,2]=4 963 B9R0.2 O=[N+]([O-])CCCCOCF 34a_200015379883_100015361967 [0,0,0,0,0,0|3,0,1]=4 964 B9R0.2 O=[N+]([O-])CCCCOCF 7a_200015379883_100015361967 [0,0,0,0,0,0|3,0,1]=4 965 B9R0.2 O=[N+]([O-])CCCOCCF 34a_200000037920_100011217306 [0,0,0,0,0,0|3,0,1]=4 966 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [0,0,0,0,0,0|3,0,1]=4 967 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [0,0,0,0,0,0|3,0,1]=4 968 B9R0.2 O=[N+]([O-])COCCCCBr 34a_100011216708_100000761209 [0,0,0,0,0,0|3,0,1]=4 969 B9R0.2 O=[N+]([O-])COCCCCCl 34a_100000210776_100000761209 [0,0,0,0,0,0|3,0,1]=4 970 B9R0.2 O=[N+]([O-])COCCCCF 34a_100011995726_100000761209 [0,0,0,0,0,0|3,0,1]=4 971 B9R0.2 O=[N+]([O-])COCCCCI 34a_200012148704_100000761209 [0,0,0,0,0,0|3,0,1]=4 972 B9R0.2 O=[N+]([O-])CSCCCCF 62a_100000729493_100000761209 [0,0,0,0,0,0|3,0,1]=4 973 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [0,0,0,0,0,0|3,0,1]=4 974 B9R0.2 OB(O)CCCCSCF 62a_100015361967_200009817182 [0,0,0,0,0,0|3,0,1]=4 975 B9R0.2 OB(O)CCCCSCF 62a_200009817182_100015361967 [0,0,0,0,0,0|3,0,1]=4 976 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,0,0,0,0|2,0,0]=2 977 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,0,0,0,0,0|4,0,0]=4 978 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,0,0,0,0,0|2,0,0]=2 979 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,0,0,0,0,0|2,0,0]=2 980 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,0,0,0,0,0|1,0,1]=2 981 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,0,0,0,0,0|2,0,1]=3 982 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,0,0,0,0,0|2,0,1]=3 983 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,0,0,0,0,0|2,0,0]=2 984 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,0,0,0,0,0|2,0,0]=2 985 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,0,0,0,0,0|3,0,1]=4 986 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,0,0,0,0,0|2,0,1]=4 987 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,0,0,0,0,0|2,0,1]=4 988 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,0,0,0,0,0|2,0,1]=4 989 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,0,0,0,0,0|2,0,1]=4 990 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,0,0,0,0,0|2,0,1]=4 991 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,0,0,0,0,0|2,0,1]=4 992 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,0,0,0,0,0|2,0,1]=4 993 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,0,0,0,0,0|2,0,1]=4 994 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,0,0,0,0,0|2,0,1]=4 995 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,0,0,0,0,0|2,0,1]=4 996 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,0,0,0,0,0|2,0,1]=4 997 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,0,0,0,0,0|2,0,1]=4 998 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 999 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|2,0,1]=4 1000 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 1001 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 1002 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|2,0,1]=4 1003 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 1004 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|2,0,1]=4 1005 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|2,0,1]=4 1006 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [1,0,0,0,0,0|1,0,2]=4 1007 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,0,0,0,0,0|2,0,1]=4 1008 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,0,0,0,0,0|1,0,2]=4 1009 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,0,0,0,0,0|1,0,2]=4 1010 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,0,0,0,0,0|2,0,1]=4 1011 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,0,0,0,0,0|2,0,1]=4 1012 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,0,0,0,0,0|2,0,1]=4 1013 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [1,0,0,0,0,0|1,0,2]=4 1014 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [1,0,0,0,0,0|1,0,2]=4 1015 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,0,0,0,0,0|2,0,1]=4 1016 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,0,0,0,0,0|2,0,1]=4 1017 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,0,0,0,0,0|2,0,1]=4 1018 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,0,0,0,0,0|2,0,1]=4 1019 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,0,0,0,0,0|2,0,1]=4 1020 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,0,0,0,0,0|2,0,1]=4 1021 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,0,0,0,0,0|2,0,1]=4 1022 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,0,0,0,0,0|2,0,1]=4 1023 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,0,0,0,0,0|2,0,1]=4 1024 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,0,0,0,0,0|2,0,1]=4 1025 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,0,0,0,0,0|2,0,1]=4 1026 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,0,0,0,0,0|2,0,1]=4 1027 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|2,0,1]=4 1028 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|2,0,1]=4 1029 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|2,0,1]=4 1030 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [1,0,0,0,0,0|1,0,2]=4 1031 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,0,0,0,0,0|2,0,1]=4 1032 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,0,0,0,0,0|1,0,2]=4 1033 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,1]=4 1034 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|2,0,1]=4 1035 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 1036 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|2,0,1]=4 1037 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 1038 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|2,0,1]=4 1039 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|2,0,1]=4 1040 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|2,0,0]=3 1041 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|2,0,0]=3 1042 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|2,0,0]=3 1043 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|2,0,0]=3 1044 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|2,0,0]=3 1045 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|2,0,0]=3 1046 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|2,0,0]=3 1047 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|2,0,0]=3 1048 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|2,0,0]=3 1049 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|2,0,0]=3 1050 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|2,0,0]=3 1051 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|2,0,0]=3 1052 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|2,0,0]=3 1053 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|2,0,0]=3 1054 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|2,0,0]=3 1055 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,0,0,0,0,0|3,0,0]=4 1056 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|2,0,0]=3 1057 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|2,0,0]=3 1058 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|2,0,0]=3 1059 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,0,0,0,0,0|3,0,0]=4 1060 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,0,0,0,0,0|3,0,0]=4 1061 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|2,0,0]=3 1062 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|2,0,0]=3 1063 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,0,0,0,0,0|3,0,0]=4 1064 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,0,0,0,0,0|3,0,0]=4 1065 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,0,0,0,0,0|1,0,2]=4 1066 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,0,0,0,0,0|1,0,2]=4 1067 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|2,0,0]=3 1068 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|2,0,0]=3 1069 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,0,0,0,0,0|3,0,0]=4 1070 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,0,0,0,0,0|3,0,0]=4 1071 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,0,0,0,0,0|3,0,0]=4 1072 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|3,0,0]=4 1073 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|3,0,0]=4 1074 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|3,0,0]=4 1075 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|3,0,0]=4 1076 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,0,0,0,0,0|3,0,0]=4 1077 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,0,0,0,0,0|3,0,0]=4 1078 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,0,0,0,0,0|3,0,0]=4 1079 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,0,0,0,0,0|1,0,2]=4 1080 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,0,0,0,0,0|1,0,2]=4 1081 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,0,0,0,0,0|3,0,0]=4 1082 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|2,0,0]=3 1083 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|2,0,0]=3 1084 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|2,0,0]=3 1085 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,0,0,0,0,0|3,0,0]=4 1086 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,0,0,0,0,0|3,0,0]=4 1087 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,0,0,0,0,0|3,0,0]=4 1088 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|3,0,0]=4 1089 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|3,0,0]=4 1090 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,0,0,0,0,0|3,0,0]=4 1091 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,0,0,0,0,0|1,0,2]=4 1092 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,0,0,0,0,0|1,0,2]=4 1093 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|2,0,0]=3 1094 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|2,0,0]=3 1095 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,0,0,0,0,0|3,0,0]=4 1096 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,0,0,0,0,0|3,0,0]=4 1097 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|3,0,0]=4 1098 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|3,0,0]=4 1099 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,0,0,0,0,0|3,0,0]=4 1100 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,0,0,0,0,0|3,0,0]=4 1101 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,0,0,0,0,0|3,0,0]=4 1102 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,0,0,0,0,0|3,0,0]=4 1103 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|2,0,0]=3 1104 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|2,0,0]=3 1105 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|2,0,0]=3 1106 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,0,0,0,0,0|3,0,0]=4 1107 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,0,0,0,0,0|3,0,0]=4 1108 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,0,0,0,0,0|3,0,0]=4 1109 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,0,0,0,0|3,0,0]=4 1110 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,0,0,0,0,0|3,0,0]=4 1111 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,0,0,0,0,0|3,0,0]=4 1112 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,0,0,0,0,0|3,0,0]=4 1113 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,0,0,0,0,0|3,0,0]=4 1114 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,0,0,0,0,0|3,0,0]=4 1115 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|2,0,0]=3 1116 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|2,0,0]=3 1117 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|2,0,0]=3 1118 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,0,0,0,0,0|3,0,0]=4 1119 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,0,0,0,0,0|3,0,0]=4 1120 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,0,0,0,0,0|3,0,0]=4 1121 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,0,0,0,0,0|3,0,0]=4 1122 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,0,0,0,0,0|3,0,0]=4 1123 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,0,0,0,0,0|3,0,0]=4 1124 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,0,0,0,0,0|3,0,0]=4 1125 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,0,0,0,0,0|3,0,0]=4 1126 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,0,0,0,0,0|3,0,0]=4 1127 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,0,0,0,0,0|3,0,0]=4 1128 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|2,0,0]=3 1129 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|2,0,0]=3 1130 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,0,0,0,0,0|3,0,0]=4 1131 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,0,0,0,0,0|3,0,0]=4 1132 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,0,0,0,0,0|3,0,0]=4 1133 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,0,0,0,0,0|3,0,0]=4 1134 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,0,0,0,0,0|3,0,0]=4 1135 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,0,0,0,0,0|3,0,0]=4 1136 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,0,0,0,0,0|3,0,0]=4 1137 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,0,0,0,0,0|3,0,0]=4 1138 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,0,0,0,0,0|3,0,0]=4 1139 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,0,0,0,0,0|3,0,0]=4 1140 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,0,0,0,0,0|1,0,2]=4 1141 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|2,0,0]=3 1142 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|2,0,0]=3 1143 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,0,0,0,0,0|3,0,0]=4 1144 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|3,0,0]=4 1145 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|3,0,0]=4 1146 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|3,0,0]=4 1147 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,0,0,0,0,0|3,0,0]=4 1148 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,0,0,0,0,0|3,0,0]=4 1149 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,0,0,0,0,0|3,0,0]=4 1150 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,0,0,0,0,0|3,0,0]=4 1151 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,0,0,0,0,0|3,0,0]=4 1152 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,0,0,0,0,0|3,0,0]=4 1153 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,0,0,0,0,0|3,0,0]=4 1154 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,0,0,0,0,0|3,0,0]=4 1155 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,0,0,0,0,0|3,0,0]=4 1156 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|2,0,0]=3 1157 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|2,0,0]=3 1158 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|2,0,0]=3 1159 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,0,0,0,0,0|3,0,0]=4 1160 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,0,0,0,0,0|3,0,0]=4 1161 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,0,0,0,0,0|3,0,0]=4 1162 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,0,0,0,0,0|3,0,0]=4 1163 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,0,0,0,0,0|3,0,0]=4 1164 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,0,0,0,0,0|3,0,0]=4 1165 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,0,0,0,0,0|3,0,0]=4 1166 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|3,0,0]=4 1167 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,0,0,0,0,0|3,0,0]=4 1168 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,0,0,0,0,0|3,0,0]=4 1169 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,0,0,0,0,0|3,0,0]=4 1170 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,0,0,0,0,0|3,0,0]=4 1171 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,0,0,0,0,0|3,0,0]=4 1172 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,0,0,0,0|3,0,0]=4 1173 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,0,0,0,0|3,0,0]=4 1174 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,0,0,0,0|3,0,0]=4 1175 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,0,0,0,0|3,0,0]=4 1176 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,0,0,0,0|3,0,0]=4 1177 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,0,0,0,0|3,0,0]=4 1178 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,0,0,0,0|3,0,0]=4 1179 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,0,0,0,0|3,0,0]=4 1180 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,0,0,0,0,0|1,0,2]=4 1181 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,0,0,0,0,0|1,0,2]=4 1182 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|2,0,0]=3 1183 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|2,0,0]=3 1184 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,0,0,0,0,0|3,0,0]=4 1185 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,0,0,0,0,0|3,0,0]=4 1186 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|3,0,0]=4 1187 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|3,0,0]=4 1188 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,0,0,0,0,0|3,0,0]=4 1189 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,0,0,0,0,0|3,0,0]=4 1190 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,0,0,0,0,0|3,0,0]=4 1191 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,0,0,0,0,0|3,0,0]=4 1192 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,0,0,0,0,0|3,0,0]=4 1193 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,0,0,0,0,0|3,0,0]=4 1194 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,0,0,0,0,0|3,0,0]=4 1195 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,0,0,0,0,0|3,0,0]=4 1196 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,0,0,0,0,0|3,0,0]=4 1197 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,0,0,0,0,0|3,0,0]=4 1198 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,0,0,0,0,0|3,0,0]=4 1199 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,0,0,0,0,0|3,0,0]=4 1200 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|3,0,0]=4 1201 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|3,0,0]=4 1202 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,0,0,0,0|3,0,0]=4 1203 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,0,0,0,0|3,0,0]=4 1204 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [1,0,0,0,0,0|1,0,2]=4 1205 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,0,0,0,0,0|1,0,2]=4 1206 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,0,0,0,0,0|1,0,2]=4 1207 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,0,0,0,0,0|1,0,2]=4 1208 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|2,0,1]=4 1209 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|2,0,1]=4 1210 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|2,0,1]=4 1211 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 1212 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 1213 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|2,0,1]=4 1214 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|2,0,1]=4 1215 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|3,0,0]=4 1216 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [1,0,0,0,0,0|1,0,2]=4 1217 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [1,0,0,0,0,0|1,0,2]=4 1218 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [1,0,0,0,0,0|1,0,2]=4 1219 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|2,0,0]=3 1220 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|2,0,0]=3 1221 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|2,0,0]=3 1222 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|2,0,0]=3 1223 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|2,0,0]=3 1224 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|2,0,0]=3 1225 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|2,0,0]=3 1226 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|2,0,0]=3 1227 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|2,0,0]=3 1228 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|2,0,0]=3 1229 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|2,0,0]=3 1230 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|2,0,0]=3 1231 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|2,0,0]=3 1232 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|2,0,0]=3 1233 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|2,0,1]=4 1234 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|2,0,1]=4 1235 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|2,0,1]=4 1236 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|2,0,1]=4 1237 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|2,0,1]=4 1238 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,1]=4 1239 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,1]=4 1240 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|2,0,1]=4 1241 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|2,0,1]=4 1242 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,1]=4 1243 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,1]=4 1244 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,0,0,0,0,0|2,0,1]=4 1245 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,0]=2 1246 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|2,0,1]=4 1247 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,1]=4 1248 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,1]=4 1249 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,1]=3 1250 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,1]=3 1251 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,1]=3 1252 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|3,0,0]=4 1253 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|3,0,0]=4 1254 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|2,0,1]=4 1255 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,0]=2 1256 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,0]=2 1257 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,1]=4 1258 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|2,0,1]=4 1259 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|2,0,1]=4 1260 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|2,0,1]=4 1261 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,1]=4 1262 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,1]=4 1263 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,1]=4 1264 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,1]=3 1265 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,1]=3 1266 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|3,0,0]=4 1267 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,0,0,0,0,0|2,0,1]=4 1268 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,0,0,0,0,0|2,0,1]=4 1269 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,0]=2 1270 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,0]=2 1271 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|2,0,1]=4 1272 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|2,0,1]=4 1273 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,1]=4 1274 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,1]=4 1275 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,1]=3 1276 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,1]=3 1277 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|3,0,0]=4 1278 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|3,0,0]=4 1279 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|3,0,0]=4 1280 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|3,0,0]=4 1281 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,0,0,0,0,0|2,0,1]=4 1282 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,0,0,0,0,0|2,0,1]=4 1283 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|2,0,1]=4 1284 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|2,0,1]=4 1285 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,1]=4 1286 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,1]=4 1287 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,1]=4 1288 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,1]=4 1289 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|1,0,1]=3 1290 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|1,0,1]=3 1291 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,0,0,0,0,0|3,0,0]=4 1292 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,0,0,0,0,0|3,0,0]=4 1293 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,0,0,0,0,0|3,0,0]=4 1294 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,0,0,0,0,0|3,0,0]=4 1295 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,0,0,0,0,0|3,0,0]=4 1296 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,0,0,0,0,0|3,0,0]=4 1297 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,0,0,0,0,0|2,0,1]=4 1298 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,1]=4 1299 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|2,0,1]=4 1300 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|2,0,1]=4 1301 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,1]=4 1302 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 1303 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,1]=4 1304 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 1305 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,1]=4 1306 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,1]=3 1307 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,1]=3 1308 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,0,0,0,0|3,0,0]=4 1309 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,0,0,0,0|3,0,0]=4 1310 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,0,0,0,0|3,0,0]=4 1311 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,0,0,0,0|3,0,0]=4 1312 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,0,0,0,0|3,0,0]=4 1313 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,0,0,0,0|3,0,0]=4 1314 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,0,0,0,0|3,0,0]=4 1315 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,0,0,0,0|3,0,0]=4 1316 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,0,0,0,0|3,0,0]=4 1317 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,0,0,0,0,0|3,0,0]=4 1318 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,0,0,0,0|3,0,0]=4 1319 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,0,0,0,0|3,0,0]=4 1320 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,0,0,0,0|3,0,0]=4 1321 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,0,0,0,0|3,0,0]=4 1322 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,0,0,0,0|3,0,0]=4 1323 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,0,0,0,0|3,0,0]=4 1324 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,0,0,0,0|3,0,0]=4 1325 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,0,0,0,0|3,0,0]=4 1326 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,0,0,0,0|3,0,0]=4 1327 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,0,0,0,0|3,0,0]=4 1328 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,0,0,0,0,0|2,0,1]=4 1329 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,0,0,0,0,0|2,0,1]=4 1330 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|2,0,1]=4 1331 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,1]=4 1332 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,1]=4 1333 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,0,1]=3 1334 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,0,1]=3 1335 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,0,0,0,0,0|3,0,0]=4 1336 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,0,0,0,0,0|3,0,0]=4 1337 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,0,0,0,0,0|3,0,0]=4 1338 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,0,0,0,0,0|3,0,0]=4 1339 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,0,0,0,0,0|3,0,0]=4 1340 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,0,0,0,0,0|3,0,0]=4 1341 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,0,0,0,0,0|3,0,0]=4 1342 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,0,0,0,0,0|3,0,0]=4 1343 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,0,0,0,0,0|3,0,0]=4 1344 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,0,0,0,0,0|3,0,0]=4 1345 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,1]=3 1346 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,1]=3 1347 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|3,0,0]=4 1348 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|3,0,0]=4 1349 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,1]=4 1350 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1351 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1352 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,1]=4 1353 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 1354 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 1355 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,1]=4 1356 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,1]=4 1357 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,1]=3 1358 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|3,0,0]=4 1359 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|3,0,0]=4 1360 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|3,0,0]=4 1361 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|3,0,0]=4 1362 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|3,0,0]=4 1363 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|3,0,0]=4 1364 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|3,0,0]=4 1365 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|3,0,0]=4 1366 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|3,0,0]=4 1367 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,0,0,0,0,0|2,0,1]=4 1368 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,0,0,0,0,0|2,0,1]=4 1369 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,0]=2 1370 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,0]=2 1371 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,1]=4 1372 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,1]=4 1373 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,1]=3 1374 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,1]=3 1375 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|3,0,0]=4 1376 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|3,0,0]=4 1377 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 1378 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,0]=2 1379 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,1]=4 1380 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,1]=3 1381 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,1]=3 1382 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,1]=3 1383 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|3,0,0]=4 1384 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1385 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|2,0,1]=4 1386 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1387 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|2,0,1]=4 1388 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,1]=4 1389 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,1]=4 1390 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,1]=4 1391 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,1]=4 1392 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,1]=4 1393 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,1]=4 1394 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,1]=4 1395 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,1]=4 1396 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,1]=3 1397 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|3,0,0]=4 1398 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|3,0,0]=4 1399 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|3,0,0]=4 1400 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|3,0,0]=4 1401 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,0,0,0,0|2,0,0]=3 1402 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,0,0,0,0|2,0,0]=3 1403 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|2,0,1]=4 1404 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|2,0,1]=4 1405 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|2,0,1]=4 1406 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|2,0,1]=4 1407 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,0,0,0,0|2,0,0]=3 1408 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,0,0,0,0|2,0,0]=3 1409 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,1]=4 1410 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,1]=4 1411 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,1]=4 1412 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,0,0,0,0|2,0,0]=3 1413 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,0,0,0,0|2,0,0]=3 1414 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,0,1]=4 1415 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,0,1]=4 1416 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,1]=4 1417 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,1]=4 1418 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 1419 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 1420 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,0]=2 1421 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,0]=2 1422 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,1]=4 1423 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,1]=4 1424 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,1]=3 1425 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,1]=3 1426 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|3,0,0]=4 1427 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|3,0,0]=4 1428 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,0,0,0,0,0|2,0,0]=3 1429 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|2,0,1]=4 1430 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|2,0,1]=4 1431 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|2,0,1]=4 1432 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,0,0,0,0|2,0,0]=3 1433 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,0,0,0,0|2,0,0]=3 1434 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|2,0,1]=4 1435 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|2,0,1]=4 1436 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|2,0,1]=4 1437 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|2,0,1]=4 1438 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,0,0,0,0,0|2,0,0]=3 1439 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,0,0,0,0,0|2,0,0]=3 1440 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|2,0,1]=4 1441 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|2,0,1]=4 1442 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 1443 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,0,0,0,0,0|2,0,1]=4 1444 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,0]=2 1445 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,0]=2 1446 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1447 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,1]=4 1448 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1449 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 1450 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 1451 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 1452 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|1,0,1]=3 1453 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 1454 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|3,0,0]=4 1455 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 1456 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|3,0,0]=4 1457 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 1458 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,0,0,0,0|2,0,0]=3 1459 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,1]=4 1460 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1461 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1462 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1463 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1464 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1465 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,1]=4 1466 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1467 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1468 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|1,0,1]=3 1469 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|3,0,0]=4 1470 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|3,0,0]=4 1471 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,0,0,0,0,0|2,0,0]=3 1472 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|2,0,1]=4 1473 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|2,0,1]=4 1474 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|2,0,1]=4 1475 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,0,0,0,0|2,0,0]=3 1476 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,1]=4 1477 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,0,0,0,0,0|2,0,0]=3 1478 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,0,0,0,0,0|2,0,0]=3 1479 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,0,1]=4 1480 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,0,1]=4 1481 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,0,0,0,0|2,0,1]=4 1482 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,0,0,0,0,0|2,0,1]=4 1483 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,0,0,0,0,0|2,0,1]=4 1484 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,0,0,0,0,0|2,0,1]=4 1485 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|2,0,1]=4 1486 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,0,0,0,0,0|2,0,0]=3 1487 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,0,0,0,0,0|2,0,0]=3 1488 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,0,1]=4 1489 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,0,1]=4 1490 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,0,0,0,0,0|2,0,1]=4 1491 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,0,0,0,0,0|2,0,1]=4 1492 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,0]=2 1493 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,0]=2 1494 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,1]=4 1495 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,1]=4 1496 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|1,0,1]=3 1497 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|1,0,1]=3 1498 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,0,0,0,0,0|2,0,0]=3 1499 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|2,0,1]=4 1500 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,0,0,0,0|2,0,0]=3 1501 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,0,0,0,0|2,0,0]=3 1502 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,1]=4 1503 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,1]=4 1504 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,0,0,0,0|2,0,1]=4 1505 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,0,0,0,0,0|2,0,1]=4 1506 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,0,0,0,0,0|2,0,1]=4 1507 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,0,0,0,0,0|2,0,1]=4 1508 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,0,0,0,0,0|2,0,1]=4 1509 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|2,0,1]=4 1510 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|2,0,1]=4 1511 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,0,0,0,0,0|2,0,0]=3 1512 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,0,0,0,0,0|2,0,0]=3 1513 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,0,1]=4 1514 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,0,1]=4 1515 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [1,0,0,0,0,0|2,0,1]=4 1516 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [1,0,0,0,0,0|2,0,1]=4 1517 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [1,0,0,0,0,0|2,0,1]=4 1518 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [1,0,0,0,0,0|2,0,1]=4 1519 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,0]=3 1520 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 1521 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|2,0,1]=4 1522 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|2,0,1]=4 1523 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,0,0,0,0,0|2,0,0]=3 1524 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,0,0,0,0,0|2,0,0]=3 1525 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,0]=3 1526 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,0,0,0,0,0|2,0,1]=4 1527 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,0,0,0,0,0|2,0,1]=4 1528 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,0,0,0,0,0|2,0,0]=3 1529 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,0,0,0,0,0|2,0,0]=3 1530 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,0]=3 1531 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,0]=3 1532 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,0]=3 1533 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,0]=3 1534 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,0,0,0,0|2,0,0]=3 1535 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,0,0,0,0|2,0,0]=3 1536 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,0,0,0,0|2,0,0]=3 1537 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,0,0,0,0|2,0,0]=3 1538 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,0,0,0,0|2,0,0]=3 1539 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,0,0,0,0|2,0,0]=3 1540 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,0,0,0,0,0|2,0,0]=3 1541 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,0,0,0,0,0|2,0,0]=3 1542 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,0]=3 1543 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,0]=3 1544 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,1]=4 1545 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|2,0,1]=4 1546 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|2,0,1]=4 1547 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|2,0,1]=4 1548 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|2,0,1]=4 1549 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,1]=4 1550 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 1551 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|2,0,1]=4 1552 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,1]=4 1553 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|2,0,1]=4 1554 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|2,0,1]=4 1555 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|2,0,1]=4 1556 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|2,0,1]=4 1557 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 1558 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|2,0,1]=4 1559 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|2,0,1]=4 1560 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|2,0,1]=4 1561 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|2,0,1]=4 1562 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|2,0,1]=4 1563 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|2,0,1]=4 1564 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|2,0,1]=4 1565 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|2,0,1]=4 1566 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,0,1]=4 1567 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|2,0,1]=4 1568 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|2,0,1]=4 1569 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|2,0,1]=4 1570 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 1571 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|2,0,1]=4 1572 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|2,0,1]=4 1573 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|2,0,1]=4 1574 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|2,0,1]=4 1575 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|2,0,1]=4 1576 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|2,0,1]=4 1577 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 1578 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 1579 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1580 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1581 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1582 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1583 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1584 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1585 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1586 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,0,0,0,0,0|2,0,1]=4 1587 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,0,0,0,0,0|2,0,1]=4 1588 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,0]=2 1589 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,0]=2 1590 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,1]=4 1591 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,1]=4 1592 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|1,0,1]=3 1593 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|1,0,1]=3 1594 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|1,0,2]=4 1595 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|1,0,2]=4 1596 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|1,0,2]=4 1597 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,0,0,0,0,0|1,0,2]=4 1598 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,0,0,0,0,0|1,0,2]=4 1599 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,0,0,0,0,0|3,0,0]=4 1600 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|3,0,0]=4 1601 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|3,0,0]=4 1602 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|3,0,0]=4 1603 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|3,0,0]=4 1604 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,0,0,0,0,0|3,0,0]=4 1605 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,0,0,0,0,0|3,0,0]=4 1606 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,0,0,0,0,0|3,0,0]=4 1607 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,0,0,0,0,0|3,0,0]=4 1608 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,0,0,0,0,0|3,0,0]=4 1609 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,0,0,0,0,0|3,0,0]=4 1610 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,0,0,0,0,0|3,0,0]=4 1611 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,0,0,0,0,0|3,0,0]=4 1612 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,0,0,0,0,0|3,0,0]=4 1613 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,0,0,0,0,0|3,0,0]=4 1614 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,0,0,0,0,0|3,0,0]=4 1615 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,0,0,0,0,0|3,0,0]=4 1616 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,0,0,0,0,0|3,0,0]=4 1617 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,0,0,0,0,0|3,0,0]=4 1618 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|1,0,2]=4 1619 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|1,0,2]=4 1620 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|1,0,2]=4 1621 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|1,0,2]=4 1622 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [1,0,0,0,0,0|1,0,2]=4 1623 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|2,0,1]=4 1624 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,0]=3 1625 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|2,0,0]=3 1626 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|2,0,0]=3 1627 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|2,0,0]=3 1628 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|2,0,0]=3 1629 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,0,0,0,0|3,0,0]=4 1630 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,0,0,0,0|3,0,0]=4 1631 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,0,0,0,0|3,0,0]=4 1632 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,0,0,0,0|3,0,0]=4 1633 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 1634 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|3,0,0]=4 1635 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|3,0,0]=4 1636 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|3,0,0]=4 1637 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|3,0,0]=4 1638 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|3,0,0]=4 1639 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|3,0,0]=4 1640 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|3,0,0]=4 1641 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|3,0,0]=4 1642 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|3,0,0]=4 1643 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,0,0,0,0,0|3,0,0]=4 1644 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,0,0,0,0|3,0,0]=4 1645 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|3,0,0]=4 1646 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|3,0,0]=4 1647 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,0,0,0,0|3,0,0]=4 1648 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|3,0,0]=4 1649 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|3,0,0]=4 1650 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|3,0,0]=4 1651 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,0,0,0,0|3,0,0]=4 1652 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,0,0,0,0|3,0,0]=4 1653 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|1,0,2]=4 1654 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|1,0,2]=4 1655 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|1,0,2]=4 1656 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|1,0,2]=4 1657 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|1,0,2]=4 1658 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|1,0,0]=2 1659 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|1,0,0]=2 1660 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|1,0,0]=2 1661 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|3,0,0]=4 1662 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|3,0,0]=4 1663 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|3,0,0]=4 1664 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|3,0,0]=4 1665 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|3,0,0]=4 1666 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|3,0,0]=4 1667 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 1668 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 1669 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 1670 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|2,0,0]=3 1671 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,0,0,0,0|2,0,0]=3 1672 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,0,0,0,0|2,0,0]=3 1673 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,0,0,0,0|2,0,0]=3 1674 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|1,0,0]=2 1675 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,0,0,0,0,0|2,0,1]=4 1676 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,0,0,0,0,0|2,0,1]=4 1677 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,0,0,0,0,0|2,0,1]=4 1678 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,0,0,0,0,0|2,0,1]=4 1679 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,0,0,0,0,0|2,0,1]=4 1680 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,0,0,0,0,0|2,0,1]=4 1681 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,0,0,0,0|3,0,0]=4 1682 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|2,0,0]=3 1683 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|2,0,0]=3 1684 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|2,0,0]=3 1685 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,0,0,0,0|2,0,0]=3 1686 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,0,0,0,0|2,0,0]=3 1687 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|2,0,0]=3 1688 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,0,0,0,0|1,0,1]=3 1689 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,0,0,0,0,0|2,0,1]=4 1690 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,0,0,0,0,0|2,0,1]=4 1691 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,0,0,0,0,0|2,0,1]=4 1692 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,0,0,0,0,0|2,0,1]=4 1693 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,0,0,0,0,0|2,0,1]=4 1694 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|2,0,0]=3 1695 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,0,0,0,0|2,0,0]=3 1696 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,0,0,0,0|2,0,0]=3 1697 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|2,0,0]=3 1698 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,0,0,0,0|1,0,1]=3 1699 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,0,0,0,0|1,0,1]=3 1700 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,0,0,0,0,0|2,0,1]=4 1701 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,0,0,0,0,0|2,0,1]=4 1702 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,0,0,0,0,0|2,0,1]=4 1703 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,0,0,0,0,0|2,0,1]=4 1704 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,0,0,0,0,0|2,0,1]=4 1705 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,0,0,0,0,0|2,0,1]=4 1706 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,0,0,0,0|2,0,0]=3 1707 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|2,0,0]=3 1708 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|2,0,0]=3 1709 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|2,0,0]=3 1710 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|2,0,0]=3 1711 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|2,0,0]=3 1712 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|2,0,0]=3 1713 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,0,0,0,0|2,0,1]=4 1714 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|3,0,0]=4 1715 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|2,0,0]=3 1716 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|2,0,0]=3 1717 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|2,0,0]=3 1718 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|2,0,0]=3 1719 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|2,0,1]=4 1720 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|2,0,1]=4 1721 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|3,0,0]=4 1722 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|3,0,0]=4 1723 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|2,0,0]=3 1724 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,0,0,0,0,0|2,0,1]=4 1725 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|3,0,0]=4 1726 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,0,0,0,0|3,0,0]=4 1727 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,0,0,0,0|3,0,0]=4 1728 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,0,0,0,0,0|3,0,0]=4 1729 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,0,0,0,0,0|3,0,0]=4 1730 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|2,0,0]=3 1731 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|2,0,0]=3 1732 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|2,0,0]=3 1733 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|2,0,0]=3 1734 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|2,0,0]=3 1735 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|2,0,1]=4 1736 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,0,0,0,0,0|2,0,1]=4 1737 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,0,0,0,0|3,0,0]=4 1738 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,0,0,0,0|3,0,0]=4 1739 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,0,0,0,0|3,0,0]=4 1740 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,0,0,0,0|3,0,0]=4 1741 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,0,0,0,0|3,0,0]=4 1742 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,0,0,0,0,0|3,0,0]=4 1743 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|3,0,0]=4 1744 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,0,0,0,0|3,0,0]=4 1745 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,0,0,0,0|3,0,0]=4 1746 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|2,0,0]=3 1747 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,0,0,0,0,0|3,0,0]=4 1748 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,0,0,0,0,0|3,0,0]=4 1749 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,0,0,0,0,0|2,0,1]=4 1750 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,0,0,0,0,0|2,0,1]=4 1751 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|2,0,0]=3 1752 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|2,0,0]=3 1753 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|2,0,0]=3 1754 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|2,0,0]=3 1755 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,0,0,0,0,0|2,0,1]=4 1756 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 1757 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 1758 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 1759 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 1760 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,0,0,0,0|3,0,0]=4 1761 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,0,0,0,0|3,0,0]=4 1762 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,0,0,0,0|3,0,0]=4 1763 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,0,0,0,0,0|3,0,0]=4 1764 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,0,0,0,0,0|3,0,0]=4 1765 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|3,0,0]=4 1766 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|3,0,0]=4 1767 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,0,0,0,0,0|3,0,0]=4 1768 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,0,0,0,0,0|3,0,0]=4 1769 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,0,0,0,0,0|2,0,1]=4 1770 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,0,0,0,0,0|2,0,1]=4 1771 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,0,0,0,0,0|2,0,1]=4 1772 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|2,0,0]=3 1773 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|2,0,0]=3 1774 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|2,0,0]=3 1775 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,0,0,0,0|3,0,0]=4 1776 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|3,0,0]=4 1777 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|3,0,0]=4 1778 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,0,0,0,0|3,0,0]=4 1779 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,0,0,0,0|3,0,0]=4 1780 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,0,0,0,0|3,0,0]=4 1781 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,0,0,0,0,0|3,0,0]=4 1782 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,0,0,0,0,0|3,0,0]=4 1783 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,0,0,0,0,0|3,0,0]=4 1784 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|2,0,0]=3 1785 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,0,0,0,0,0|2,0,1]=4 1786 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|2,0,0]=3 1787 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|2,0,0]=3 1788 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|2,0,0]=3 1789 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|2,0,0]=3 1790 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,0,0,0,0,0|2,0,1]=4 1791 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,0,0,0,0,0|2,0,1]=4 1792 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|3,0,0]=4 1793 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|3,0,0]=4 1794 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|3,0,0]=4 1795 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|3,0,0]=4 1796 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|3,0,0]=4 1797 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|3,0,0]=4 1798 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,0,0,0,0,0|3,0,0]=4 1799 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,0,0,0,0,0|3,0,0]=4 1800 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|2,0,0]=3 1801 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,0,0,0,0,0|3,0,0]=4 1802 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,0,0,0,0,0|3,0,0]=4 1803 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,0,0,0,0,0|3,0,0]=4 1804 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,0,0,0,0,0|3,0,0]=4 1805 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,0,0,0,0,0|3,0,0]=4 1806 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,0,0,0,0,0|2,0,1]=4 1807 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,0,0,0,0,0|3,0,0]=4 1808 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,0,0,0,0,0|3,0,0]=4 1809 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,0,0,0,0,0|2,0,1]=4 1810 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,0,0,0,0,0|2,0,1]=4 1811 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,0,0,0,0,0|3,0,0]=4 1812 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|3,0,0]=4 1813 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|3,0,0]=4 1814 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,0,0,0,0,0|3,0,0]=4 1815 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,0,0,0,0,0|3,0,0]=4 1816 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,0,0,0,0,0|2,0,1]=4 1817 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,0,0,0,0,0|2,0,1]=4 1818 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|2,0,0]=3 1819 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|2,0,0]=3 1820 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 1821 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 1822 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 1823 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,0,0,0,0|3,0,0]=4 1824 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|3,0,0]=4 1825 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|3,0,0]=4 1826 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,0,0,0,0|3,0,0]=4 1827 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,0,0,0,0|3,0,0]=4 1828 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,0,0,0,0,0|3,0,0]=4 1829 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,0,0,0,0,0|3,0,0]=4 1830 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|2,0,0]=3 1831 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,0,0,0,0,0|3,0,0]=4 1832 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,0,0,0,0,0|3,0,0]=4 1833 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,0,0,0,0,0|3,0,0]=4 1834 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,0,0,0,0,0|3,0,0]=4 1835 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,0,0,0,0,0|3,0,0]=4 1836 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,0,0,0,0,0|2,0,1]=4 1837 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,0,0,0,0,0|3,0,0]=4 1838 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,0,0,0,0,0|3,0,0]=4 1839 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,0,0,0,0,0|2,0,1]=4 1840 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,0,0,0,0,0|2,0,1]=4 1841 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [1,0,0,0,0,0|3,0,0]=4 1842 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,0,0,0,0,0|3,0,0]=4 1843 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,0,0,0,0,0|3,0,0]=4 1844 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|3,0,0]=4 1845 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|3,0,0]=4 1846 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,0,0,0,0,0|3,0,0]=4 1847 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,0,0,0,0,0|3,0,0]=4 1848 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,0,0,0,0,0|2,0,1]=4 1849 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,0,0,0,0,0|3,0,0]=4 1850 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,0,0,0,0,0|3,0,0]=4 1851 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,0,0,0,0,0|3,0,0]=4 1852 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,0,0,0,0,0|3,0,0]=4 1853 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,0,0,0,0|3,0,0]=4 1854 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,0,0,0,0|3,0,0]=4 1855 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,0,0,0,0,0|3,0,0]=4 1856 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 1857 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 1858 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 1859 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 1860 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,0,0,0,0,0|3,0,0]=4 1861 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,0,0,0,0,0|3,0,0]=4 1862 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|3,0,0]=4 1863 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|3,0,0]=4 1864 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,0,0,0,0,0|3,0,0]=4 1865 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,0,0,0,0,0|3,0,0]=4 1866 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,0,0,0,0,0|3,0,0]=4 1867 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,0,0,0,0,0|3,0,0]=4 1868 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,0,0,0,0,0|3,0,0]=4 1869 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,0,0,0,0,0|3,0,0]=4 1870 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,0,0,0,0,0|3,0,0]=4 1871 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,0,0,0,0,0|3,0,0]=4 1872 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,0,0,0,0,0|3,0,0]=4 1873 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,0,0,0,0,0|3,0,0]=4 1874 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,0,0,0,0,0|3,0,0]=4 1875 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,0,0,0,0,0|3,0,0]=4 1876 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,0,0,0,0,0|2,0,1]=4 1877 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,0,0,0,0,0|3,0,0]=4 1878 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|2,0,0]=3 1879 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|2,0,0]=3 1880 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,0,0,0,0,0|3,0,0]=4 1881 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,0,0,0,0,0|3,0,0]=4 1882 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,0,0,0,0,0|2,0,1]=4 1883 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,0,0,0,0,0|2,0,1]=4 1884 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,0,0,0,0,0|2,0,1]=4 1885 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,0,0,0,0,0|2,0,1]=4 1886 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,0,0,0,0,0|2,0,1]=4 1887 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,0,0,0,0,0|2,0,1]=4 1888 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,0,0,0,0,0|2,0,1]=4 1889 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,0,0,0,0,0|2,0,1]=4 1890 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|2,0,0]=3 1891 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|3,0,0]=4 1892 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|2,0,0]=3 1893 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|2,0,0]=3 1894 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|2,0,0]=3 1895 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|2,0,0]=3 1896 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,0,0,0,0,0|2,0,1]=4 1897 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,0,0,0,0,0|2,0,1]=4 1898 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,0,0,0,0,0|2,0,1]=4 1899 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,0,0,0,0,0|2,0,1]=4 1900 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,0,0,0,0,0|3,0,0]=4 1901 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,0,0,0,0,0|3,0,0]=4 1902 B10R0.3 C#CCN(C)CCCC(=O)O 269956a_100000719178_100000184674 [0,1,0,0,0,0|1,0,2]=4 1903 B10R0.3 C=C(Br)CCOC(C)CCC 34a_100009813270_100000766640 [0,1,0,0,0,0|3,0,0]=4 1904 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,1,0,0,0,0|3,0,0]=4 1905 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,1,0,0,0,0|3,0,0]=4 1908 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,1,0,0,0,0|3,0,0]=4 1909 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,1,0,0,0,0|3,0,0]=4 1910 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,1,0,0,0,0|3,0,0]=4 1911 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,1,0,0,0,0|3,0,0]=4 1912 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,1,0,0,0,0|3,0,0]=4 1913 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,1,0,0,0,0|3,0,0]=4 1914 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,1,0,0,0,0|3,0,0]=4 1915 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,1,0,0,0,0|3,0,0]=4 1916 B10R0.3 C=C(F)COCC(C)CCC 34a_100000688023_100009893438 [0,1,0,0,0,0|3,0,0]=4 1917 B10R0.3 C=C(F)COCC(C)CCC 34a_200010262243_100011216630 [0,1,0,0,0,0|3,0,0]=4 1918 B10R0.3 C=C(F)COCC(C)CCC 7a_100000688023_100000042424 [0,1,0,0,0,0|3,0,0]=4 1919 B10R0.3 C=C(F)COC[C@@H](N)CCC 34a_100000732646_100009893438 [0,1,0,0,0,0|3,0,0]=4 1920 B10R0.3 C=C(F)CSCC(C)CCC 62a_100000042424_100011216630 [0,1,0,0,0,0|3,0,0]=4 1921 B10R0.3 C=C(F)CSCC(C)CCC 62a_100011216630_100000042424 [0,1,0,0,0,0|3,0,0]=4 1922 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,1,0,0,0,0|1,0,2]=4 1923 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,0|2,0,1]=4 1924 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,1,0,0,0,0|3,0,0]=4 1925 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,1,0,0,0,0|3,0,0]=4 1926 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,1,0,0,0,0|3,0,0]=4 1927 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,1,0,0,0,0|3,0,0]=4 1928 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,1,0,0,0,0|3,0,0]=4 1929 B10R0.3 CC(CCBr)OCCC(=O)N 34a_100012276601_100000731001 [0,1,0,0,0,0|3,0,0]=4 1930 B10R0.3 CC(CCCC(=O)[O-])OCF 7a_100000761597_100015361967 [0,1,0,0,0,0|2,0,1]=4 1931 B10R0.3 CC(CCN)COCC(=O)N 34a_106354213184_100000187820 [0,1,0,0,0,0|3,0,0]=4 1932 B10R0.3 CC(CCN)COCC(=O)[O-] 34a_106354213184_100020667443 [0,1,0,0,0,0|2,0,1]=4 1933 B10R0.3 CC(CCO)NOCC(=O)O 269956a_100000106656_100009893172 [0,1,0,0,0,0|3,0,0]=4 1934 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,1,0,0,0,0|3,0,0]=4 1935 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,1,0,0,0,0|3,0,0]=4 1936 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,1,0,0,0,0|3,0,0]=4 1937 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,1,0,0,0,0|3,0,0]=4 1938 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|1,0,1]=3 1939 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,0,0,0,0|1,0,1]=3 1940 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,1,0,0,0,0|1,0,2]=4 1941 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,1,0,0,0,0|1,0,2]=4 1942 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,0,0,0,0|2,0,1]=4 1943 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,0,0,0,0|2,0,1]=4 1944 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,1,0,0,0,0|2,0,1]=4 1945 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,1,0,0,0,0|2,0,1]=4 1946 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,0|2,0,1]=4 1947 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,1,0,0,0,0|2,0,1]=4 1948 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,0,0,0,0|2,0,1]=4 1949 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,1,0,0,0,0|2,0,1]=4 1950 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,0,0,0,0|1,0,1]=3 1951 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,1,0,0,0,0|2,0,1]=4 1952 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,1,0,0,0,0|2,0,1]=4 1953 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,1,0,0,0,0|2,0,1]=4 1954 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,1,0,0,0,0|1,0,2]=4 1955 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,1,0,0,0,0|1,0,2]=4 1956 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,1,0,0,0,0|2,0,1]=4 1957 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,1,0,0,0,0|2,0,1]=4 1958 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,1,0,0,0,0|2,0,1]=4 1959 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,1,0,0,0,0|2,0,0]=3 1960 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,1,0,0,0,0|1,0,0]=2 1961 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,1,0,0,0,0|2,0,1]=4 1962 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,1,0,0,0,0|2,0,1]=4 1963 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,1,0,0,0,0|2,0,1]=4 1964 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,1,0,0,0,0|2,0,0]=3 1965 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,1,0,0,0,0|2,0,0]=3 1966 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,1,0,0,0,0|2,0,0]=3 1967 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,1,0,0,0,0|1,0,1]=3 1968 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,1,0,0,0,0|2,0,1]=4 1969 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,1,0,0,0,0|2,0,1]=4 1970 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,1,0,0,0,0|2,0,1]=4 1971 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,1,0,0,0,0|2,0,1]=4 1972 B10R0.3 CCCC(C)COC[N+](=O)[O-] 34a_100000688023_100000761209 [0,1,0,0,0,0|2,0,1]=4 1973 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,1,0,0,0,0|2,0,0]=3 1974 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,1,0,0,0,0|2,0,0]=3 1975 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,1,0,0,0,0|1,0,1]=3 1976 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,1,0,0,0,0|1,0,1]=3 1977 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,1,0,0,0,0|2,0,1]=4 1978 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,1,0,0,0,0|2,0,1]=4 1979 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,1,0,0,0,0|2,0,1]=4 1980 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,1,0,0,0,0|2,0,1]=4 1981 B10R0.3 CCCC(C)CSC[N+](=O)[O-] 62a_100011216630_100000761209 [0,1,0,0,0,0|2,0,1]=4 1982 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,1,0,0,0,0|2,0,0]=3 1983 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,1,0,0,0,0|2,0,1]=4 1984 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,1,0,0,0,0|2,0,1]=4 1985 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,1,0,0,0,0|2,0,1]=4 1986 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,1,0,0,0,0|2,0,0]=3 1987 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,1,0,0,0,0|2,0,0]=3 1988 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,1,0,0,0,0|2,0,0]=3 1989 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,1,0,0,0,0|2,0,0]=3 1990 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,1,0,0,0,0|2,0,0]=3 1991 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,1,0,0,0,0|2,0,0]=3 1992 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,1,0,0,0,0|2,0,0]=3 1993 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,1,0,0,0,0|2,0,0]=3 1994 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,1,0,0,0,0|2,0,1]=4 1995 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,1,0,0,0,0|2,0,1]=4 1996 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,1,0,0,0,0|3,0,0]=4 1997 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,1,0,0,0,0|2,0,0]=3 1998 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,1,0,0,0,0|2,0,0]=3 1999 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,1,0,0,0,0|2,0,0]=3 2000 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,1,0,0,0,0|2,0,0]=3 2001 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,1,0,0,0,0|2,0,1]=4 2002 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,1,0,0,0,0|2,0,1]=4 2003 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,1,0,0,0,0|3,0,0]=4 2004 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,1,0,0,0,0|3,0,0]=4 2005 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,0,0,0,0|2,0,0]=3 2006 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,1,0,0,0,0|2,0,0]=3 2007 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,1,0,0,0,0|1,0,0]=2 2008 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,1,0,0,0,0|2,0,1]=4 2009 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,1,0,0,0,0|2,0,1]=4 2010 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,1,0,0,0,0|3,0,0]=4 2011 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,1,0,0,0,0|3,0,0]=4 2012 B10R0.3 CCCN(C)CCNC(=O)N 2230a_100000747261_200000034859 [0,1,0,0,0,0|3,0,0]=4 2013 B10R0.3 CCCN(C)CCNC(=O)N 269982a_100000747261_200000034859 [0,1,0,0,0,0|3,0,0]=4 2014 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,1,0,0,0,0|3,0,0]=4 2015 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,1,0,0,0,0|3,0,0]=4 2016 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,1,0,0,0,0|2,0,0]=3 2017 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,1,0,0,0,0|1,0,1]=3 2018 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,1,0,0,0,0|2,0,1]=4 2019 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,1,0,0,0,0|2,0,1]=4 2020 B10R0.3 CCC[C@H](N)COC[N+](=O)[O-] 34a_100000732646_100000761209 [0,1,0,0,0,0|2,0,1]=4 2021 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,0|2,0,1]=4 2022 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,0|2,0,1]=4 2023 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,1,0,0,0,0|2,0,1]=4 2024 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,0|2,0,1]=4 2025 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,0|2,0,1]=4 2026 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,0|2,0,1]=4 2027 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,1,0,0,0,0|2,0,1]=4 2028 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,1,0,0,0,0|1,0,1]=3 2029 B10R0.3 CN(CC#N)CCCC(=O)O 269956a_100000719178_100011215382 [0,1,0,0,0,0|2,0,1]=4 2030 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [0,1,0,0,0,0|2,0,1]=4 2031 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,1,0,0,0,0|2,0,0]=3 2032 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,1,0,0,0,0|3,0,0]=4 2033 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,1,0,0,0,0|2,0,0]=3 2034 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,0|2,0,1]=4 2035 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,1,0,0,0,0|2,0,1]=4 2036 B10R0.3 COCC(C)NOCC(=O)O 269956a_100000106656_100000765312 [0,1,0,0,0,0|3,0,0]=4 2037 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,1,0,0,0,0|3,0,0]=4 2038 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,1,0,0,0,0|3,0,0]=4 2039 B10R0.3 COCC(C)OCCC(=O)N 34a_100000757172_100000765312 [0,1,0,0,0,0|3,0,0]=4 2040 B10R0.3 COCC(C)OCCC(=O)N 7a_100000757172_100000765312 [0,1,0,0,0,0|3,0,0]=4 2041 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,1,0,0,0,0|3,0,0]=4 2042 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,1,0,0,0,0|3,0,0]=4 2043 B10R0.3 COCC(C)SCCC(=O)N 62a_100000744528_100000765312 [0,1,0,0,0,0|3,0,0]=4 2044 B10R0.3 COCC(C)SCCC(=O)N 62a_100000765312_100000744528 [0,1,0,0,0,0|3,0,0]=4 2045 B10R0.3 COCC(N)COCC(=O)N 34a_100000724102_100000187820 [0,1,0,0,0,0|3,0,0]=4 2046 B10R0.3 COCC(N)COCC(=O)[O-] 34a_100000724102_100020667443 [0,1,0,0,0,0|2,0,1]=4 2047 B10R0.3 COCC(O)CNCC(=O)N 2230a_100000756049_100000747473 [0,1,0,0,0,0|3,0,0]=4 2048 B10R0.3 COCC(O)CNCC(=O)N 34a_100000756049_100000187820 [0,1,0,0,0,0|3,0,0]=4 2049 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,1,0,0,0,0|2,0,0]=3 2050 B10R0.3 COCC(O)CNCC(=O)[O-] 34a_100000756049_100020667443 [0,1,0,0,0,0|2,0,1]=4 2051 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,1,0,0,0,0|3,0,0]=4 2052 B10R0.3 COCC(O)CSCC(=O)N 62a_100000747473_100011215053 [0,1,0,0,0,0|3,0,0]=4 2053 B10R0.3 COCC(O)CSCC(=O)N 62a_100011215053_100000747473 [0,1,0,0,0,0|3,0,0]=4 2054 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100011215053_100020667443 [0,1,0,0,0,0|2,0,1]=4 2055 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100020667443_100011215053 [0,1,0,0,0,0|2,0,1]=4 2056 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,1,0,0,0,0|2,0,0]=3 2057 B10R0.3 COC[C@@H](C)NCCC(=O)N 2230a_100000764878_100000744528 [0,1,0,0,0,0|3,0,0]=4 2058 B10R0.3 COC[C@@H](C)OCCC(=O)N 34a_100011934205_100000731001 [0,1,0,0,0,0|3,0,0]=4 2059 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,0|2,0,1]=4 2060 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,1,0,0,0,0|2,0,1]=4 2061 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,1,0,0,0,0|2,0,0]=3 2062 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,1,0,0,0,0|3,0,0]=4 2063 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,1,0,0,0,0|3,0,0]=4 2064 B10R0.3 N#CC[C@H](O)CNCC(=O)O 269956a_100016091260_100000001066 [0,1,0,0,0,0|2,0,1]=4 2065 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,1,0,0,0,0|2,0,1]=4 2066 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,1,0,0,0,0|1,0,1]=3 2067 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,1,0,0,0,0|1,0,1]=3 2068 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,1,0,0,0,0|1,0,1]=3 2069 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [0,1,0,0,0,0|1,0,2]=4 2070 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [0,1,0,0,0,0|1,0,2]=4 2071 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [0,1,0,0,0,0|1,0,2]=4 2072 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,1,0,0,0,0|0,0,2]=3 2073 B10R0.4 C#CCCCCNCC(=O)[O-] 34a_100000706060_100020667443 [0,1,0,0,0,0|0,0,3]=4 2074 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,1,0,0,0,0|1,0,2]=4 2075 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,1,0,0,0,0|1,0,2]=4 2076 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,1,0,0,0,0|1,0,2]=4 2077 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,1,0,0,0,0|0,0,3]=4 2078 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [0,1,0,0,0,0|1,0,2]=4 2079 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [0,1,0,0,0,0|1,0,2]=4 2080 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100010269958_100020667443 [0,1,0,0,0,0|0,0,3]=4 2081 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100020667443_100010269958 [0,1,0,0,0,0|0,0,3]=4 2082 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [0,1,0,0,0,0|1,0,2]=4 2083 B10R0.4 C#CCCCNOCC(=O)O 269956a_100000106656_100011215417 [0,1,0,0,0,0|1,0,2]=4 2084 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,1,0,0,0,0|1,0,2]=4 2085 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,1,0,0,0,0|1,0,2]=4 2086 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,1,0,0,0,0|1,0,2]=4 2087 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [0,1,0,0,0,0|1,0,2]=4 2088 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [0,1,0,0,0,0|1,0,2]=4 2089 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [0,1,0,0,0,0|1,0,2]=4 2090 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [0,1,0,0,0,0|1,0,2]=4 2091 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,1,0,0,0,0|1,0,2]=4 2092 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,1,0,0,0,0|1,0,2]=4 2093 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [0,1,0,0,0,0|1,0,2]=4 2094 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [0,1,0,0,0,0|1,0,2]=4 2095 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,1,0,0,0,0|1,0,2]=4 2096 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [0,1,0,0,0,0|1,0,2]=4 2097 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [0,1,0,0,0,0|1,0,2]=4 2098 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,1,0,0,0,0|1,0,2]=4 2099 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,1,0,0,0,0|1,0,2]=4 2100 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,1,0,0,0,0|1,0,2]=4 2101 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [0,1,0,0,0,0|1,0,2]=4 2102 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,1,0,0,0,0|1,0,2]=4 2103 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,1,0,0,0,0|1,0,2]=4 2104 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [0,1,0,0,0,0|1,0,2]=4 2105 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [0,1,0,0,0,0|1,0,2]=4 2106 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,1,0,0,0,0|1,0,2]=4 2107 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [0,1,0,0,0,0|1,0,2]=4 2108 B10R0.4 C#CCNCCOCC(=O)O 269956a_100000700818_100000184674 [0,1,0,0,0,0|1,0,2]=4 2109 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,1,0,0,0,0|1,0,2]=4 2110 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [0,1,0,0,0,0|1,0,2]=4 2111 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [0,1,0,0,0,0|1,0,2]=4 2112 B10R0.4 C#CCOCCNCC(=O)O 269956a_100016091260_100010402529 [0,1,0,0,0,0|1,0,2]=4 2113 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,1,0,0,0,0|1,0,2]=4 2114 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,1,0,0,0,0|1,0,2]=4 2115 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,1,0,0,0,0|1,0,2]=4 2116 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 2117 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,0,0,0,0|1,0,2]=4 2118 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 2119 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [0,1,0,0,0,0|1,0,2]=4 2120 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,1,0,0,0,0|1,0,2]=4 2121 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,1,0,0,0,0|1,0,2]=4 2122 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,1,0,0,0,0|1,0,2]=4 2123 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,1,0,0,0,0|1,0,2]=4 2124 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,1,0,0,0,0|2,0,0]=3 2125 B10R0.4 C=C(Br)CCOCCCCF 34a_100009813270_100000729493 [0,1,0,0,0,0|3,0,0]=4 2126 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,1,0,0,0,0|3,0,0]=4 2127 B10R0.4 C=C(Br)CCOCCCOC 34a_100009813270_100000740836 [0,1,0,0,0,0|3,0,0]=4 2128 B10R0.4 C=C(Br)CCOCCOCC 34a_100009813270_100000210147 [0,1,0,0,0,0|3,0,0]=4 2129 B10R0.4 C=C(Br)CCOCCSCC 34a_100009813270_100000757381 [0,1,0,0,0,0|3,0,0]=4 2130 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,1,0,0,0,0|2,0,0]=3 2131 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,1,0,0,0,0|3,0,0]=4 2132 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,1,0,0,0,0|3,0,0]=4 2133 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,1,0,0,0,0|3,0,0]=4 2134 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,1,0,0,0,0|3,0,0]=4 2135 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,1,0,0,0,0|3,0,0]=4 2136 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,1,0,0,0,0|3,0,0]=4 2137 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,1,0,0,0,0|3,0,0]=4 2138 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,1,0,0,0,0|3,0,0]=4 2139 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,1,0,0,0,0|2,0,0]=3 2140 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,1,0,0,0,0|2,0,0]=3 2141 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,1,0,0,0,0|2,0,0]=3 2142 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,1,0,0,0,0|3,0,0]=4 2143 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,1,0,0,0,0|3,0,0]=4 2144 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,1,0,0,0,0|3,0,0]=4 2145 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,1,0,0,0,0|3,0,0]=4 2146 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,1,0,0,0,0|3,0,0]=4 2147 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,1,0,0,0,0|3,0,0]=4 2148 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,1,0,0,0,0|3,0,0]=4 2149 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,1,0,0,0,0|3,0,0]=4 2150 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,1,0,0,0,0|3,0,0]=4 2151 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,1,0,0,0,0|3,0,0]=4 2152 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,1,0,0,0,0|3,0,0]=4 2153 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,1,0,0,0,0|3,0,0]=4 2154 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,1,0,0,0,0|3,0,0]=4 2155 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,1,0,0,0,0|3,0,0]=4 2156 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,1,0,0,0,0|3,0,0]=4 2157 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,1,0,0,0,0|3,0,0]=4 2158 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,1,0,0,0,0|3,0,0]=4 2159 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,1,0,0,0,0|3,0,0]=4 2160 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,1,0,0,0,0|3,0,0]=4 2161 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,1,0,0,0,0|2,0,0]=3 2162 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,1,0,0,0,0|2,0,0]=3 2163 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,1,0,0,0,0|3,0,0]=4 2164 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,1,0,0,0,0|3,0,0]=4 2165 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,1,0,0,0,0|3,0,0]=4 2166 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,1,0,0,0,0|3,0,0]=4 2167 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,1,0,0,0,0|3,0,0]=4 2168 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,1,0,0,0,0|3,0,0]=4 2169 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,1,0,0,0,0|3,0,0]=4 2170 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,1,0,0,0,0|3,0,0]=4 2171 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,1,0,0,0,0|3,0,0]=4 2172 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,1,0,0,0,0|3,0,0]=4 2173 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,1,0,0,0,0|2,0,0]=3 2174 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,1,0,0,0,0|3,0,0]=4 2175 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,1,0,0,0,0|3,0,0]=4 2176 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,1,0,0,0,0|3,0,0]=4 2177 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,1,0,0,0,0|3,0,0]=4 2178 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,1,0,0,0,0|3,0,0]=4 2179 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,1,0,0,0,0|3,0,0]=4 2180 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,1,0,0,0,0|3,0,0]=4 2181 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,1,0,0,0,0|3,0,0]=4 2182 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,1,0,0,0,0|3,0,0]=4 2183 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|2,0,0]=3 2184 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|2,0,0]=3 2185 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|2,0,0]=3 2186 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,1,0,0,0,0|3,0,0]=4 2187 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,1,0,0,0,0|3,0,0]=4 2188 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,1,0,0,0,0|3,0,0]=4 2189 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,1,0,0,0,0|3,0,0]=4 2190 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,1,0,0,0,0|3,0,0]=4 2191 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,1,0,0,0,0|3,0,0]=4 2192 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,1,0,0,0,0|3,0,0]=4 2193 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,1,0,0,0,0|3,0,0]=4 2194 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,1,0,0,0,0|3,0,0]=4 2195 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,1,0,0,0,0|3,0,0]=4 2196 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,1,0,0,0,0|3,0,0]=4 2197 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,1,0,0,0,0|3,0,0]=4 2198 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,1,0,0,0,0|3,0,0]=4 2199 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,1,0,0,0,0|3,0,0]=4 2200 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,1,0,0,0,0|3,0,0]=4 2201 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,1,0,0,0,0|3,0,0]=4 2202 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,1,0,0,0,0|3,0,0]=4 2203 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,1,0,0,0,0|3,0,0]=4 2204 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,1,0,0,0,0|3,0,0]=4 2205 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,1,0,0,0,0|3,0,0]=4 2206 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,1,0,0,0,0|3,0,0]=4 2207 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,1,0,0,0,0|3,0,0]=4 2208 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,1,0,0,0,0|2,0,0]=3 2209 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,1,0,0,0,0|2,0,0]=3 2210 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,1,0,0,0,0|3,0,0]=4 2211 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,1,0,0,0,0|3,0,0]=4 2212 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,1,0,0,0,0|3,0,0]=4 2213 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,1,0,0,0,0|3,0,0]=4 2214 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,1,0,0,0,0|3,0,0]=4 2215 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,1,0,0,0,0|3,0,0]=4 2216 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,1,0,0,0,0|3,0,0]=4 2217 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,1,0,0,0,0|3,0,0]=4 2218 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,1,0,0,0,0|3,0,0]=4 2219 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,1,0,0,0,0|3,0,0]=4 2220 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,1,0,0,0,0|3,0,0]=4 2221 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,1,0,0,0,0|3,0,0]=4 2222 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,1,0,0,0,0|2,0,0]=3 2223 B10R0.4 C=C(F)CNCCCCCO 2230a_100000762737_100009893438 [0,1,0,0,0,0|3,0,0]=4 2224 B10R0.4 C=C(F)CNCCCCCO 34a_100000762737_100009893438 [0,1,0,0,0,0|3,0,0]=4 2225 B10R0.4 C=C(F)CNCCCOCC 2230a_100000210961_100009893438 [0,1,0,0,0,0|3,0,0]=4 2226 B10R0.4 C=C(F)CNCCCOCC 34a_100000210961_100009893438 [0,1,0,0,0,0|3,0,0]=4 2227 B10R0.4 C=C(F)CNCCOCCC 2230a_100161115042_100009893438 [0,1,0,0,0,0|3,0,0]=4 2228 B10R0.4 C=C(F)CNCCOCCC 34a_100161115042_100009893438 [0,1,0,0,0,0|3,0,0]=4 2229 B10R0.4 C=C(F)CNCCSCCC 2230a_100020603323_100009893438 [0,1,0,0,0,0|3,0,0]=4 2230 B10R0.4 C=C(F)COCCCCCBr 34a_100000746331_100009893438 [0,1,0,0,0,0|3,0,0]=4 2231 B10R0.4 C=C(F)COCCCCCBr 7a_100000746331_100000042424 [0,1,0,0,0,0|3,0,0]=4 2232 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,1,0,0,0,0|2,0,0]=3 2233 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,1,0,0,0,0|2,0,0]=3 2234 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,1,0,0,0,0|2,0,0]=3 2235 B10R0.4 C=C(F)COCCCCCCl 34a_100000746330_100009893438 [0,1,0,0,0,0|3,0,0]=4 2236 B10R0.4 C=C(F)COCCCCCCl 7a_100000746330_100000042424 [0,1,0,0,0,0|3,0,0]=4 2237 B10R0.4 C=C(F)COCCCCCF 34a_200010262243_100000729378 [0,1,0,0,0,0|3,0,0]=4 2238 B10R0.4 C=C(F)COCCCCCI 34a_200012148887_100009893438 [0,1,0,0,0,0|3,0,0]=4 2239 B10R0.4 C=C(F)COCCCCCI 7a_200012148887_100000042424 [0,1,0,0,0,0|3,0,0]=4 2240 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,1,0,0,0,0|3,0,0]=4 2241 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,1,0,0,0,0|3,0,0]=4 2242 B10R0.4 C=C(F)COCCCCOC 34a_100000740925_100009893438 [0,1,0,0,0,0|3,0,0]=4 2243 B10R0.4 C=C(F)COCCCCOC 34a_200010262243_100000755781 [0,1,0,0,0,0|3,0,0]=4 2244 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [0,1,0,0,0,0|3,0,0]=4 2245 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [0,1,0,0,0,0|3,0,0]=4 2246 B10R0.4 C=C(F)COCCCOCC 34a_100000757476_100009893438 [0,1,0,0,0,0|3,0,0]=4 2247 B10R0.4 C=C(F)COCCCOCC 34a_200010262243_100012232248 [0,1,0,0,0,0|3,0,0]=4 2248 B10R0.4 C=C(F)COCCCOCC 7a_100000757476_100000042424 [0,1,0,0,0,0|3,0,0]=4 2249 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [0,1,0,0,0,0|3,0,0]=4 2250 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [0,1,0,0,0,0|3,0,0]=4 2251 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,1,0,0,0,0|3,0,0]=4 2252 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,1,0,0,0,0|3,0,0]=4 2253 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,1,0,0,0,0|3,0,0]=4 2254 B10R0.4 C=C(F)COCCSCCC 34a_200000230433_100009893438 [0,1,0,0,0,0|3,0,0]=4 2255 B10R0.4 C=C(F)COCCSCCC 7a_200000230433_100000042424 [0,1,0,0,0,0|3,0,0]=4 2256 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [0,1,0,0,0,0|3,0,0]=4 2257 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,1,0,0,0,0|2,0,0]=3 2258 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,1,0,0,0,0|2,0,0]=3 2259 B10R0.4 C=C(F)CSCCCCCF 62a_100000042424_100000729378 [0,1,0,0,0,0|3,0,0]=4 2260 B10R0.4 C=C(F)CSCCCCCF 62a_100000729378_100000042424 [0,1,0,0,0,0|3,0,0]=4 2261 B10R0.4 C=C(F)CSCCCCCO 62a_100000042424_100000746330 [0,1,0,0,0,0|3,0,0]=4 2262 B10R0.4 C=C(F)CSCCCCCO 62a_100000746330_100000042424 [0,1,0,0,0,0|3,0,0]=4 2263 B10R0.4 C=C(F)CSCCCCOC 62a_100000042424_100000730899 [0,1,0,0,0,0|3,0,0]=4 2264 B10R0.4 C=C(F)CSCCCCOC 62a_100000730899_100000042424 [0,1,0,0,0,0|3,0,0]=4 2265 B10R0.4 C=C(F)CSCCCOCC 62a_100000042424_100012232248 [0,1,0,0,0,0|3,0,0]=4 2266 B10R0.4 C=C(F)CSCCCOCC 62a_100012232248_100000042424 [0,1,0,0,0,0|3,0,0]=4 2267 B10R0.4 C=C(F)CSCCOCCC 62a_100000042424_100011215938 [0,1,0,0,0,0|3,0,0]=4 2268 B10R0.4 C=C(F)CSCCOCCC 62a_100011215938_100000042424 [0,1,0,0,0,0|3,0,0]=4 2269 B10R0.4 C=C(F)CSCOCCCC 62a_100000042424_100011995733 [0,1,0,0,0,0|3,0,0]=4 2270 B10R0.4 C=C(F)CSCOCCCC 62a_100011995733_100000042424 [0,1,0,0,0,0|3,0,0]=4 2271 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,1,0,0,0,0|1,0,1]=3 2272 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,1,0,0,0,0|1,0,1]=3 2273 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,1,0,0,0,0|1,0,1]=3 2274 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,1,0,0,0,0|1,0,2]=4 2275 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,1,0,0,0,0|1,0,2]=4 2276 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,1,0,0,0,0|1,0,2]=4 2277 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,1,0,0,0,0|0,0,2]=3 2278 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,1,0,0,0,0|0,0,3]=4 2279 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,1,0,0,0,0|1,0,2]=4 2280 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,1,0,0,0,0|1,0,2]=4 2281 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,1,0,0,0,0|1,0,2]=4 2282 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,1,0,0,0,0|0,0,3]=4 2283 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,1,0,0,0,0|1,0,2]=4 2284 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,1,0,0,0,0|1,0,2]=4 2285 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,1,0,0,0,0|0,0,3]=4 2286 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,1,0,0,0,0|0,0,3]=4 2287 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,1,0,0,0,0|1,0,2]=4 2288 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,1,0,0,0,0|1,0,2]=4 2289 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [0,1,0,0,0,0|1,0,2]=4 2290 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,1,0,0,0,0|1,0,2]=4 2291 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,1,0,0,0,0|1,0,2]=4 2292 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,1,0,0,0,0|1,0,2]=4 2293 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,1,0,0,0,0|1,0,2]=4 2294 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,1,0,0,0,0|1,0,2]=4 2295 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,1,0,0,0,0|1,0,2]=4 2296 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,1,0,0,0,0|1,0,2]=4 2297 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,1,0,0,0,0|1,0,2]=4 2298 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,1,0,0,0,0|1,0,2]=4 2299 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,1,0,0,0,0|1,0,2]=4 2300 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,1,0,0,0,0|1,0,2]=4 2301 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,1,0,0,0,0|1,0,2]=4 2302 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,1,0,0,0,0|1,0,2]=4 2303 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,1,0,0,0,0|1,0,2]=4 2304 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,1,0,0,0,0|1,0,2]=4 2305 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,1,0,0,0,0|1,0,2]=4 2306 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,1,0,0,0,0|1,0,2]=4 2307 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,1,0,0,0,0|1,0,2]=4 2308 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,1,0,0,0,0|1,0,2]=4 2309 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,1,0,0,0,0|1,0,2]=4 2310 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,1,0,0,0,0|1,0,2]=4 2311 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [0,1,0,0,0,0|1,0,2]=4 2312 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,1,0,0,0,0|1,0,2]=4 2313 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,1,0,0,0,0|1,0,2]=4 2314 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,1,0,0,0,0|1,0,2]=4 2315 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,1,0,0,0,0|1,0,2]=4 2316 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,1,0,0,0,0|1,0,2]=4 2317 B10R0.4 CC#CCCOCCC(=O)N 34a_100000750427_100000731001 [0,1,0,0,0,0|1,0,2]=4 2318 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,1,0,0,0,0|1,0,2]=4 2319 B10R0.4 CC#CCNCCCC(=O)N 34a_100000685387_100102525003 [0,1,0,0,0,0|1,0,2]=4 2320 B10R0.4 CC#CCNCCCC(=O)N 34a_100000739312_100000748600 [0,1,0,0,0,0|1,0,2]=4 2321 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,1,0,0,0,0|1,0,2]=4 2322 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,1,0,0,0,0|1,0,2]=4 2323 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,1,0,0,0,0|1,0,2]=4 2324 B10R0.4 CC#CCOCCCC(=O)N 34a_100000761923_100102525003 [0,1,0,0,0,0|1,0,2]=4 2325 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,1,0,0,0,0|1,0,2]=4 2326 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,1,0,0,0,0|1,0,2]=4 2327 B10R0.4 CC#CCSCCCC(=O)N 62a_100000748600_100102525003 [0,1,0,0,0,0|1,0,2]=4 2328 B10R0.4 CC#CCSCCCC(=O)N 62a_100102525003_100000748600 [0,1,0,0,0,0|1,0,2]=4 2329 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,1,0,0,0,0|1,0,1]=3 2330 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|1,0,0]=2 2331 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|1,0,0]=2 2332 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,1,0,0,0,0|3,0,0]=4 2333 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,0,0,0,0|2,0,0]=3 2334 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|2,0,0]=3 2335 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,0,0,0,0|2,0,0]=3 2336 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,0,0,0,0|2,0,0]=3 2337 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,1,0,0,0,0|2,0,1]=4 2338 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,1,0,0,0,0|2,0,1]=4 2339 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,1,0,0,0,0|2,0,1]=4 2340 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,1,0,0,0,0|2,0,1]=4 2341 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,0,0,0,0|2,0,0]=3 2342 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,0,0,0,0|2,0,0]=3 2343 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|2,0,0]=3 2344 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|2,0,0]=3 2345 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|2,0,0]=3 2346 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,1,0,0,0,0|2,0,1]=4 2347 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|2,0,0]=3 2348 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|2,0,0]=3 2349 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|2,0,0]=3 2350 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|2,0,0]=3 2351 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|2,0,0]=3 2352 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|2,0,0]=3 2353 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|2,0,0]=3 2354 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|2,0,0]=3 2355 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,1,0,0,0,0|3,0,0]=4 2356 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,1,0,0,0,0|2,0,1]=4 2357 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,1,0,0,0,0|2,0,1]=4 2358 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|2,0,0]=3 2359 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|2,0,0]=3 2360 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|2,0,0]=3 2361 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|2,0,0]=3 2362 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,1,0,0,0,0|2,0,1]=4 2363 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,1,0,0,0,0|2,0,1]=4 2364 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,0,0,0,0|2,0,0]=3 2365 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,0,0,0,0|2,0,0]=3 2366 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,0,0,0,0|2,0,0]=3 2367 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,0,0,0,0|2,0,0]=3 2368 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,0,0,0,0|2,0,0]=3 2369 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,0,0,0,0|2,0,0]=3 2370 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,1,0,0,0,0|2,0,1]=4 2371 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,1,0,0,0,0|2,0,1]=4 2372 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,1,0,0,0,0|2,0,1]=4 2373 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,1,0,0,0,0|2,0,1]=4 2374 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,0,0,0,0|2,0,0]=3 2375 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,0,0,0,0|2,0,0]=3 2376 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,0,0,0,0|2,0,0]=3 2377 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,0,0,0,0|2,0,0]=3 2378 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|2,0,0]=3 2379 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|2,0,0]=3 2380 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,1,0,0,0,0|3,0,0]=4 2381 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,1,0,0,0,0|3,0,0]=4 2382 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,1,0,0,0,0|2,0,1]=4 2383 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,1,0,0,0,0|2,0,1]=4 2384 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,1,0,0,0,0|2,0,1]=4 2385 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,1,0,0,0,0|2,0,1]=4 2386 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|2,0,0]=3 2387 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|2,0,0]=3 2388 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,0,0,0,0|2,0,0]=3 2389 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,0,0,0,0|2,0,0]=3 2390 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,1,0,0,0,0|3,0,0]=4 2391 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,1,0,0,0,0|3,0,0]=4 2392 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,1,0,0,0,0|3,0,0]=4 2393 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,1,0,0,0,0|3,0,0]=4 2394 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,1,0,0,0,0|3,0,0]=4 2395 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,1,0,0,0,0|3,0,0]=4 2396 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,1,0,0,0,0|3,0,0]=4 2397 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,1,0,0,0,0|3,0,0]=4 2398 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,1,0,0,0,0|3,0,0]=4 2399 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,0,0,0,0|3,0,0]=4 2400 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,1,0,0,0,0|3,0,0]=4 2401 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,1,0,0,0,0|3,0,0]=4 2402 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,1,0,0,0,0|3,0,0]=4 2403 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,1,0,0,0,0|3,0,0]=4 2404 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,0,0,0,0|2,0,0]=3 2405 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,0,0,0,0|2,0,0]=3 2406 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,1,0,0,0,0|3,0,0]=4 2407 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,1,0,0,0,0|3,0,0]=4 2408 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,1,0,0,0,0|3,0,0]=4 2409 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,1,0,0,0,0|3,0,0]=4 2410 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,1,0,0,0,0|3,0,0]=4 2411 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,1,0,0,0,0|3,0,0]=4 2412 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,1,0,0,0,0|3,0,0]=4 2413 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,1,0,0,0,0|3,0,0]=4 2414 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,1,0,0,0,0|3,0,0]=4 2415 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,1,0,0,0,0|3,0,0]=4 2416 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,1,0,0,0,0|3,0,0]=4 2417 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,1,0,0,0,0|3,0,0]=4 2418 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,1,0,0,0,0|3,0,0]=4 2419 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,1,0,0,0,0|3,0,0]=4 2420 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,1,0,0,0,0|3,0,0]=4 2421 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,1,0,0,0,0|3,0,0]=4 2422 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,1,0,0,0,0|3,0,0]=4 2423 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,1,0,0,0,0|3,0,0]=4 2424 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,1,0,0,0,0|3,0,0]=4 2425 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,1,0,0,0,0|3,0,0]=4 2426 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,1,0,0,0,0|3,0,0]=4 2427 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,1,0,0,0,0|3,0,0]=4 2428 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,1,0,0,0,0|3,0,0]=4 2429 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,1,0,0,0,0|3,0,0]=4 2430 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,1,0,0,0,0|3,0,0]=4 2431 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,1,0,0,0,0|3,0,0]=4 2432 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,1,0,0,0,0|3,0,0]=4 2433 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,1,0,0,0,0|3,0,0]=4 2434 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,1,0,0,0,0|3,0,0]=4 2435 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,1,0,0,0,0|3,0,0]=4 2436 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,1,0,0,0,0|3,0,0]=4 2437 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,1,0,0,0,0|3,0,0]=4 2438 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,1,0,0,0,0|3,0,0]=4 2439 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,1,0,0,0,0|3,0,0]=4 2440 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,1,0,0,0,0|3,0,0]=4 2441 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,1,0,0,0,0|3,0,0]=4 2442 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,1,0,0,0,0|3,0,0]=4 2443 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,1,0,0,0,0|3,0,0]=4 2444 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,1,0,0,0,0|3,0,0]=4 2445 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,1,0,0,0,0|3,0,0]=4 2446 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,1,0,0,0,0|3,0,0]=4 2447 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,1,0,0,0,0|3,0,0]=4 2448 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,1,0,0,0,0|3,0,0]=4 2449 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,1,0,0,0,0|3,0,0]=4 2450 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,1,0,0,0,0|2,0,1]=4 2451 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,1,0,0,0,0|2,0,1]=4 2452 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,1,0,0,0,0|2,0,1]=4 2453 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,1,0,0,0,0|2,0,1]=4 2454 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,1,0,0,0,0|2,0,1]=4 2455 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,1,0,0,0,0|2,0,1]=4 2456 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,1,0,0,0,0|2,0,1]=4 2457 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,1,0,0,0,0|2,0,1]=4 2458 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,1,0,0,0,0|2,0,1]=4 2459 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,1,0,0,0,0|2,0,1]=4 2460 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,1,0,0,0,0|2,0,1]=4 2461 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,1,0,0,0,0|2,0,1]=4 2462 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,1,0,0,0,0|2,0,1]=4 2463 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,1,0,0,0,0|2,0,1]=4 2464 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,1,0,0,0,0|2,0,1]=4 2465 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,1,0,0,0,0|2,0,1]=4 2466 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,1,0,0,0,0|2,0,1]=4 2467 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,1,0,0,0,0|2,0,1]=4 2468 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,1,0,0,0,0|2,0,1]=4 2469 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,1,0,0,0,0|2,0,1]=4 2470 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,1,0,0,0,0|2,0,1]=4 2471 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,1,0,0,0,0|2,0,1]=4 2472 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,1,0,0,0,0|2,0,1]=4 2473 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,1,0,0,0,0|2,0,1]=4 2474 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,1,0,0,0,0|2,0,1]=4 2475 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,1,0,0,0,0|2,0,1]=4 2476 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,1,0,0,0,0|2,0,1]=4 2477 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,1,0,0,0,0|2,0,1]=4 2478 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|2,0,1]=4 2479 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,1,0,0,0,0|2,0,1]=4 2480 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,1,0,0,0,0|2,0,1]=4 2481 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|2,0,1]=4 2482 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,1,0,0,0,0|2,0,1]=4 2483 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,1,0,0,0,0|2,0,1]=4 2484 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,1,0,0,0,0|2,0,1]=4 2485 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 2486 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 2487 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,1,0,0,0,0|2,0,1]=4 2488 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,1,0,0,0,0|2,0,1]=4 2489 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,1,0,0,0,0|2,0,1]=4 2490 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,1,0,0,0,0|2,0,1]=4 2491 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,1,0,0,0,0|2,0,1]=4 2492 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 2493 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,1,0,0,0,0|2,0,1]=4 2494 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,1,0,0,0,0|1,0,2]=4 2495 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,1,0,0,0,0|0,0,2]=3 2496 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,0,0,0,0|1,0,2]=4 2497 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 2498 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 2499 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,1,0,0,0,0|0,0,3]=4 2500 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,1,0,0,0,0|1,0,2]=4 2501 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,1,0,0,0,0|1,0,2]=4 2502 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,1,0,0,0,0|0,0,3]=4 2503 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,1,0,0,0,0|0,0,3]=4 2504 B10R0.4 CC/C=C\CNOCC(=O)O 269956a_100000106656_100103147603 [0,1,0,0,0,0|1,0,2]=4 2505 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 2506 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 2507 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,1,0,0,0,0|1,0,2]=4 2508 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,1,0,0,0,0|1,0,2]=4 2509 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,1,0,0,0,0|1,0,2]=4 2510 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,1,0,0,0,0|1,0,2]=4 2511 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,1,0,0,0,0|1,0,2]=4 2512 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,1,0,0,0,0|1,0,2]=4 2513 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,1,0,0,0,0|1,0,2]=4 2514 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,1,0,0,0,0|1,0,2]=4 2515 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,1,0,0,0,0|0,0,3]=4 2516 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,1,0,0,0,0|1,0,2]=4 2517 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 2518 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 2519 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,1,0,0,0,0|1,0,2]=4 2520 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,1,0,0,0,0|1,0,2]=4 2521 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,1,0,0,0,0|1,0,2]=4 2522 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,1,0,0,0,0|1,0,2]=4 2523 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,1,0,0,0,0|1,0,2]=4 2524 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,1,0,0,0,0|1,0,2]=4 2525 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,1,0,0,0,0|0,0,3]=4 2526 B10R0.4 CCC#CCNOCC(=O)O 269956a_100000106656_100009813939 [0,1,0,0,0,0|1,0,2]=4 2527 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,1,0,0,0,0|1,0,2]=4 2528 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,1,0,0,0,0|1,0,2]=4 2529 B10R0.4 CCC#CCOCCC(=O)N 34a_100000032950_100000731001 [0,1,0,0,0,0|1,0,2]=4 2530 B10R0.4 CCC#CCOCCC(=O)N 34a_100000757172_100009813939 [0,1,0,0,0,0|1,0,2]=4 2531 B10R0.4 CCC#CCOCCC(=O)N 7a_100000757172_100009813939 [0,1,0,0,0,0|1,0,2]=4 2532 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,1,0,0,0,0|1,0,2]=4 2533 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,1,0,0,0,0|1,0,2]=4 2534 B10R0.4 CCC#CCSCCC(=O)N 62a_100000744528_100009813939 [0,1,0,0,0,0|1,0,2]=4 2535 B10R0.4 CCC#CCSCCC(=O)N 62a_100009813939_100000744528 [0,1,0,0,0,0|1,0,2]=4 2536 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 2537 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 2538 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,1,0,0,0,0|0,0,3]=4 2539 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [0,1,0,0,0,0|1,0,2]=4 2540 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [0,1,0,0,0,0|1,0,2]=4 2541 B10R0.4 CCCC#CCOCC(=O)[O-] 34a_100000034806_100020667443 [0,1,0,0,0,0|0,0,3]=4 2542 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|1,0,1]=3 2543 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|1,0,1]=3 2544 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,0,0,0,0|1,0,1]=3 2545 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,1,0,0,0,0|2,0,1]=4 2546 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|1,0,1]=3 2547 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|1,0,1]=3 2548 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|1,0,0]=2 2549 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|1,0,0]=2 2550 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|1,0,0]=2 2551 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,1,0,0,0,0|3,0,0]=4 2552 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,1,0,0,0,0|3,0,0]=4 2553 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,1,0,0,0,0|3,0,0]=4 2554 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,1,0,0,0,0|3,0,0]=4 2555 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,1,0,0,0,0|3,0,0]=4 2556 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,1,0,0,0,0|3,0,0]=4 2557 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|1,0,0]=2 2558 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|1,0,0]=2 2559 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|1,0,0]=2 2560 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|1,0,0]=2 2561 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,1,0,0,0,0|2,0,1]=4 2562 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,1,0,0,0,0|2,0,1]=4 2563 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,1,0,0,0,0|2,0,1]=4 2564 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,1,0,0,0,0|2,0,1]=4 2565 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,1,0,0,0,0|2,0,1]=4 2566 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,1,0,0,0,0|2,0,1]=4 2567 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,1,0,0,0,0|2,0,1]=4 2568 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,1,0,0,0,0|2,0,1]=4 2569 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,0,0,0,0|1,0,0]=2 2570 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,0,0,0,0|1,0,0]=2 2571 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|0,0,0]=1 2572 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,1,0,0,0,0|2,0,1]=4 2573 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,1,0,0,0,0|2,0,1]=4 2574 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,1,0,0,0,0|2,0,1]=4 2575 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,1,0,0,0,0|2,0,1]=4 2576 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,0,0,0,0|1,0,1]=3 2577 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,0,0,0,0|1,0,1]=3 2578 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,0,0,0,0|1,0,1]=3 2579 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,1,0,0,0,0|2,0,1]=4 2580 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,1,0,0,0,0|2,0,1]=4 2581 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,0,0,0,0|1,0,1]=3 2582 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|1,0,0]=2 2583 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,0]=2 2584 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,0]=2 2585 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|0,0,1]=2 2586 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,1,0,0,0,0|2,0,1]=4 2587 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,1,0,0,0,0|2,0,1]=4 2588 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,1,0,0,0,0|2,0,1]=4 2589 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,1,0,0,0,0|2,0,1]=4 2590 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,1,0,0,0,0|2,0,1]=4 2591 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,0,0,0,0|1,0,1]=3 2592 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,0,0,0,0|1,0,1]=3 2593 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,1,0,0,0,0|2,0,1]=4 2594 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,1,0,0,0,0|2,0,1]=4 2595 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,1,0,0,0,0|2,0,1]=4 2596 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,1,0,0,0,0|2,0,1]=4 2597 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,1,0,0,0,0|2,0,1]=4 2598 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,0,0,0,0|1,0,1]=3 2599 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,0,0,0,0|1,0,1]=3 2600 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,1,0,0,0,0|1,0,1]=3 2601 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,0,0,0,0|1,0,0]=2 2602 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,0,0,0,0|1,0,0]=2 2603 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,0,0,0,0|0,0,1]=2 2604 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,0,0,0,0|0,0,1]=2 2605 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,1,0,0,0,0|2,0,1]=4 2606 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,1,0,0,0,0|2,0,1]=4 2607 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,0,0,0,0|1,0,1]=3 2608 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,0,0,0,0|1,0,1]=3 2609 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,1,0,0,0,0|2,0,1]=4 2610 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,1,0,0,0,0|2,0,1]=4 2611 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,0,0,0,0|1,0,1]=3 2612 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,0,0,0,0|1,0,1]=3 2613 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,1,0,0,0,0|1,0,1]=3 2614 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,1,0,0,0,0|2,0,1]=4 2615 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,1,0,0,0,0|2,0,1]=4 2616 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|1,0,0]=2 2617 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,1,0,0,0,0|2,0,1]=4 2618 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,1,0,0,0,0|2,0,1]=4 2619 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,0,0,0,0|1,0,1]=3 2620 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,0,0,0,0|1,0,1]=3 2621 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,0,0,0,0|1,0,0]=2 2622 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,1,0,0,0,0|2,0,1]=4 2623 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,1,0,0,0,0|2,0,1]=4 2624 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,1,0,0,0,0|2,0,1]=4 2625 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|1,0,0]=2 2626 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|1,0,0]=2 2627 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|1,0,0]=2 2628 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|1,0,0]=2 2629 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|1,0,0]=2 2630 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|1,0,0]=2 2631 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|1,0,0]=2 2632 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,1,0,0,0,0|2,0,1]=4 2633 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,1,0,0,0,0|2,0,1]=4 2634 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,1,0,0,0,0|2,0,1]=4 2635 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,1,0,0,0,0|2,0,1]=4 2636 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,1,0,0,0,0|2,0,1]=4 2637 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,0,0,0,0|1,0,1]=3 2638 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,0,0,0,0|1,0,1]=3 2639 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,1,0,0,0,0|2,0,1]=4 2640 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,1,0,0,0,0|3,0,0]=4 2641 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,1,0,0,0,0|2,0,1]=4 2642 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|2,0,0]=3 2643 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,1,0,0,0,0|2,0,1]=4 2644 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,1,0,0,0,0|2,0,1]=4 2645 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|1,0,0]=2 2646 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|1,0,0]=2 2647 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|1,0,0]=2 2648 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|1,0,0]=2 2649 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,1,0,0,0,0|2,0,1]=4 2650 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,1,0,0,0,0|2,0,1]=4 2651 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,0,0,0,0|1,0,1]=3 2652 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,0,0,0,0|1,0,1]=3 2653 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,1,0,0,0,0|3,0,0]=4 2654 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|2,0,0]=3 2655 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|2,0,0]=3 2656 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,1,0,0,0,0|2,0,1]=4 2657 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,1,0,0,0,0|2,0,1]=4 2658 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,1,0,0,0,0|2,0,1]=4 2659 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,1,0,0,0,0|2,0,1]=4 2660 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|1,0,0]=2 2661 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|1,0,0]=2 2662 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|1,0,0]=2 2663 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,1,0,0,0,0|2,0,1]=4 2664 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,1,0,0,0,0|2,0,1]=4 2665 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,1,0,0,0,0|2,0,1]=4 2666 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,1,0,0,0,0|2,0,1]=4 2667 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,0,0,0,0|1,0,1]=3 2668 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,0,0,0,0|1,0,1]=3 2669 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,1,0,0,0,0|3,0,0]=4 2670 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,1,0,0,0,0|2,0,0]=3 2671 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|2,0,0]=3 2672 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|2,0,0]=3 2673 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|2,0,0]=3 2674 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,1,0,0,0,0|2,0,0]=3 2675 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,1,0,0,0,0|2,0,0]=3 2676 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,1,0,0,0,0|2,0,0]=3 2677 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|2,0,0]=3 2678 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,0,0,0,0|2,0,0]=3 2679 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,1,0,0,0,0|2,0,1]=4 2680 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,1,0,0,0,0|2,0,1]=4 2681 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,1,0,0,0,0|2,0,1]=4 2682 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,1,0,0,0,0|2,0,1]=4 2683 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|1,0,0]=2 2684 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|1,0,0]=2 2685 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|1,0,0]=2 2686 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|1,0,0]=2 2687 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|1,0,0]=2 2688 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|1,0,0]=2 2689 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,1,0,0,0,0|2,0,1]=4 2690 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,1,0,0,0,0|2,0,1]=4 2691 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,1,0,0,0,0|2,0,1]=4 2692 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,1,0,0,0,0|2,0,1]=4 2693 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,0,0,0,0|1,0,1]=3 2694 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,0,0,0,0|1,0,1]=3 2695 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,1,0,0,0,0|3,0,0]=4 2696 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,1,0,0,0,0|1,0,1]=3 2697 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|2,0,0]=3 2698 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|2,0,0]=3 2699 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,1,0,0,0,0|2,0,0]=3 2700 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,1,0,0,0,0|2,0,0]=3 2701 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|2,0,0]=3 2702 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|2,0,0]=3 2703 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,0,0,0,0|2,0,0]=3 2704 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,0,0,0,0|2,0,0]=3 2705 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,0,0,0,0|2,0,0]=3 2706 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,1,0,0,0,0|2,0,0]=3 2707 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,0,0,0,0|1,0,0]=2 2708 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,1,0,0,0,0|2,0,1]=4 2709 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,1,0,0,0,0|2,0,1]=4 2710 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|2,0,0]=3 2711 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,1,0,0,0,0|2,0,0]=3 2712 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,1,0,0,0,0|2,0,0]=3 2713 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,1,0,0,0,0|1,0,1]=3 2714 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,1,0,0,0,0|1,0,1]=3 2715 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,1,0,0,0,0|2,0,1]=4 2716 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,1,0,0,0,0|2,0,1]=4 2717 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,1,0,0,0,0|2,0,1]=4 2718 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,1,0,0,0,0|2,0,1]=4 2719 B10R0.4 CCCCOCSC[N+](=O)[O-] 62a_100011995733_100000761209 [0,1,0,0,0,0|2,0,1]=4 2720 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,1,0,0,0,0|2,0,1]=4 2721 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,1,0,0,0,0|2,0,1]=4 2722 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,1,0,0,0,0|2,0,1]=4 2723 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,1,0,0,0,0|2,0,1]=4 2724 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|1,0,0]=2 2725 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|1,0,0]=2 2726 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|1,0,0]=2 2727 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|1,0,0]=2 2728 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,1,0,0,0,0|2,0,1]=4 2729 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,1,0,0,0,0|2,0,1]=4 2730 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,0,0,0,0|1,0,1]=3 2731 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,0,0,0,0|1,0,1]=3 2732 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,1,0,0,0,0|3,0,0]=4 2733 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|2,0,0]=3 2734 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|2,0,0]=3 2735 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|2,0,0]=3 2736 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|2,0,0]=3 2737 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|2,0,0]=3 2738 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|2,0,0]=3 2739 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,1,0,0,0,0|2,0,0]=3 2740 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,1,0,0,0,0|2,0,0]=3 2741 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|2,0,0]=3 2742 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|2,0,0]=3 2743 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,0,0,0,0|2,0,0]=3 2744 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,0,0,0,0|2,0,0]=3 2745 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,0,0,0,0|1,0,0]=2 2746 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|2,0,0]=3 2747 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|1,0,0]=2 2748 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,1,0,0,0,0|1,0,1]=3 2749 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|1,0,0]=2 2750 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,0,0,0,0|1,0,0]=2 2751 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,0,0,0,0|1,0,0]=2 2752 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,1,0,0,0,0|2,0,1]=4 2753 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,1,0,0,0,0|2,0,1]=4 2754 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,1,0,0,0,0|2,0,1]=4 2755 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,1,0,0,0,0|1,0,1]=3 2756 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,1,0,0,0,0|1,0,1]=3 2757 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|2,0,0]=3 2758 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|2,0,0]=3 2759 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|2,0,0]=3 2760 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|2,0,0]=3 2761 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|2,0,0]=3 2762 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,1,0,0,0,0|2,1,0]=4 2763 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|2,0,0]=3 2764 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,1,0,0,0,0|2,0,0]=3 2765 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,1,0,0,0,0|2,0,0]=3 2766 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,1,0,0,0,0|2,0,0]=3 2767 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,0,0,0,0|1,0,0]=2 2768 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,1,0,0,0,0|1,0,1]=3 2769 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,1,0,0,0,0|2,0,1]=4 2770 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,1,0,0,0,0|2,0,1]=4 2771 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,1,0,0,0,0|2,0,1]=4 2772 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,1,0,0,0,0|2,0,1]=4 2773 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,1,0,0,0,0|2,0,1]=4 2774 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,1,0,0,0,0|2,0,1]=4 2775 B10R0.4 CCCOCCNC[N+](=O)[O-] 34a_100161115042_100000761209 [0,1,0,0,0,0|2,0,1]=4 2776 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|2,0,0]=3 2777 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,0,0,0,0|2,0,0]=3 2778 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,0,0,0,0|2,0,0]=3 2779 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,0,0,0,0|2,0,0]=3 2780 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,0,0,0,0|1,0,1]=3 2781 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,1,0,0,0,0|2,0,1]=4 2782 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,1,0,0,0,0|2,0,1]=4 2783 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,1,0,0,0,0|2,0,1]=4 2784 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,1,0,0,0,0|2,0,1]=4 2785 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,1,0,0,0,0|2,0,1]=4 2786 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,1,0,0,0,0|2,0,0]=3 2787 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,1,0,0,0,0|2,0,0]=3 2788 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,1,0,0,0,0|1,0,1]=3 2789 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,1,0,0,0,0|1,0,1]=3 2790 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,1,0,0,0,0|2,0,1]=4 2791 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,1,0,0,0,0|2,0,1]=4 2792 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,1,0,0,0,0|2,0,1]=4 2793 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,1,0,0,0,0|2,0,1]=4 2794 B10R0.4 CCCOCCSC[N+](=O)[O-] 62a_100011215938_100000761209 [0,1,0,0,0,0|2,0,1]=4 2795 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,1,0,0,0,0|1,0,1]=3 2796 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,1,0,0,0,0|1,0,1]=3 2797 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|1,0,0]=2 2798 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|1,0,0]=2 2799 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,1,0,0,0,0|2,0,1]=4 2800 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,1,0,0,0,0|2,0,1]=4 2801 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,1,0,0,0,0|3,0,0]=4 2802 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|2,0,0]=3 2803 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|2,0,0]=3 2804 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,1,0,0,0,0|2,1,0]=4 2805 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,1,0,0,0,0|2,1,0]=4 2806 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|2,0,0]=3 2807 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|2,0,0]=3 2808 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,1,0,0,0,0|2,0,0]=3 2809 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,1,0,0,0,0|2,0,1]=4 2810 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,1,0,0,0,0|2,0,1]=4 2811 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,0,0,0,0|2,0,0]=3 2812 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,0,0,0,0|2,0,0]=3 2813 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,0,0,0,0|2,0,0]=3 2814 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,0,0,0,0|2,0,0]=3 2815 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,0,0,0,0|1,0,1]=3 2816 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,1,0,0,0,0|2,0,1]=4 2817 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,1,0,0,0,0|2,0,1]=4 2818 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,1,0,0,0,0|2,0,1]=4 2819 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,1,0,0,0,0|2,0,1]=4 2820 B10R0.4 CCCSCCOC[N+](=O)[O-] 34a_200000230433_100000761209 [0,1,0,0,0,0|2,0,1]=4 2821 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,1,0,0,0,0|1,0,1]=3 2822 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,0,0,0,0|1,0,0]=2 2823 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,1,0,0,0,0|2,0,1]=4 2824 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,1,0,0,0,0|2,0,1]=4 2825 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,1,0,0,0,0|2,0,1]=4 2826 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|2,0,0]=3 2827 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|2,0,0]=3 2828 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|2,0,0]=3 2829 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,1,0,0,0,0|1,0,1]=3 2830 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,0,0,0,0|1,0,0]=2 2831 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,0,0,0,0|1,0,0]=2 2832 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,0,0,0,0|1,0,0]=2 2833 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,0,0,0,0|0,0,1]=2 2834 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,1,0,0,0,0|2,0,1]=4 2835 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,1,0,0,0,0|2,0,1]=4 2836 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,1,0,0,0,0|2,0,1]=4 2837 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|2,0,0]=3 2838 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|2,0,0]=3 2839 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|2,0,0]=3 2840 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,1,0,0,0,0|2,0,1]=4 2841 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|2,0,0]=3 2842 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,1,0,0,0,0|2,0,0]=3 2843 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,1,0,0,0,0|2,0,0]=3 2844 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,1,0,0,0,0|2,0,0]=3 2845 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,0,0,0,0|1,0,0]=2 2846 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,1,0,0,0,0|1,0,1]=3 2847 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,1,0,0,0,0|2,0,1]=4 2848 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,1,0,0,0,0|2,0,1]=4 2849 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,1,0,0,0,0|2,0,1]=4 2850 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,1,0,0,0,0|2,0,1]=4 2852 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,1,0,0,0,0|2,0,1]=4 2853 B10R0.4 CCOCCCNC[N+](=O)[O-] 34a_100000210961_100000761209 [0,1,0,0,0,0|2,0,1]=4 2854 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|2,0,0]=3 2855 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,1,0,0,0,0|2,0,0]=3 2856 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,1,0,0,0,0|2,0,0]=3 2857 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,1,0,0,0,0|1,0,1]=3 2858 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,1,0,0,0,0|2,0,1]=4 2859 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,1,0,0,0,0|2,0,1]=4 2860 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,1,0,0,0,0|2,0,1]=4 2861 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,1,0,0,0,0|2,0,1]=4 2862 B10R0.4 CCOCCCOC[N+](=O)[O-] 34a_100000757476_100000761209 [0,1,0,0,0,0|2,0,1]=4 2863 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,1,0,0,0,0|2,0,0]=3 2864 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,1,0,0,0,0|2,0,0]=3 2865 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,1,0,0,0,0|1,0,1]=3 2866 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,1,0,0,0,0|1,0,1]=3 2867 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,1,0,0,0,0|2,0,1]=4 2868 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,1,0,0,0,0|2,0,1]=4 2869 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,1,0,0,0,0|2,0,1]=4 2871 B10R0.4 CCOCCCSC[N+](=O)[O-] 62a_100012232248_100000761209 [0,1,0,0,0,0|2,0,1]=4 2872 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,1,0,0,0,0|2,0,0]=3 2873 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,1,0,0,0,0|2,0,0]=3 2874 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,1,0,0,0,0|2,0,1]=4 2875 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,1,0,0,0,0|2,0,1]=4 2876 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,1,0,0,0,0|2,0,1]=4 2877 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,1,0,0,0,0|3,0,0]=4 2878 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,1,0,0,0,0|2,0,0]=3 2879 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|2,0,0]=3 2880 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|2,0,0]=3 2881 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|2,0,0]=3 2882 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|2,0,0]=3 2883 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,1,0,0,0,0|2,0,0]=3 2884 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,1,0,0,0,0|2,0,0]=3 2885 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,1,0,0,0,0|2,0,0]=3 2886 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,1,0,0,0,0|2,0,0]=3 2887 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,1,0,0,0,0|2,0,1]=4 2888 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,1,0,0,0,0|2,0,1]=4 2889 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,1,0,0,0,0|3,0,0]=4 2890 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|2,0,0]=3 2891 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|2,0,0]=3 2892 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,1,0,0,0,0|2,0,0]=3 2893 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,1,0,0,0,0|2,0,0]=3 2894 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,1,0,0,0,0|2,0,1]=4 2895 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,1,0,0,0,0|2,0,1]=4 2896 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,1,0,0,0,0|3,0,0]=4 2897 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,1,0,0,0,0|3,0,0]=4 2898 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,1,0,0,0,0|3,0,0]=4 2899 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|2,0,0]=3 2900 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|2,0,0]=3 2901 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,1,0,0,0,0|2,0,0]=3 2902 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,1,0,0,0,0|2,0,0]=3 2903 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,1,0,0,0,0|2,0,1]=4 2904 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,1,0,0,0,0|2,0,1]=4 2905 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,1,0,0,0,0|3,0,0]=4 2906 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,1,0,0,0,0|3,0,0]=4 2907 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,1,0,0,0,0|3,0,0]=4 2908 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,1,0,0,0,0|3,0,0]=4 2909 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,1,0,0,0,0|3,0,0]=4 2910 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,1,0,0,0,0|3,0,0]=4 2911 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,1,0,0,0,0|3,0,0]=4 2912 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,1,0,0,0,0|3,0,0]=4 2913 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,1,0,0,0,0|1,0,1]=3 2914 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,1,0,0,0,0|1,0,1]=3 2915 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,0,0,0,0|1,0,0]=2 2916 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,0,0,0,0|1,0,0]=2 2917 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,1,0,0,0,0|2,0,1]=4 2918 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,1,0,0,0,0|2,0,1]=4 2919 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|2,0,0]=3 2920 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|2,0,0]=3 2921 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,1,0,0,0,0|2,0,1]=4 2922 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|2,0,0]=3 2923 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|2,0,0]=3 2924 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,1,0,0,0,0|2,0,0]=3 2925 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,1,0,0,0,0|2,0,0]=3 2926 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,1,0,0,0,0|1,0,1]=3 2927 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,1,0,0,0,0|2,0,1]=4 2928 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,1,0,0,0,0|2,0,1]=4 2929 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,1,0,0,0,0|2,0,1]=4 2930 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,1,0,0,0,0|2,0,1]=4 2931 B10R0.4 CCSCCCOC[N+](=O)[O-] 34a_100011216438_100000761209 [0,1,0,0,0,0|2,0,1]=4 2932 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,1,0,0,0,0|2,0,0]=3 2933 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,1,0,0,0,0|2,0,1]=4 2934 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,1,0,0,0,0|2,0,1]=4 2935 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,1,0,0,0,0|2,0,0]=3 2936 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|2,0,0]=3 2937 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|2,0,0]=3 2938 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|2,0,0]=3 2939 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,1,0,0,0,0|2,0,0]=3 2940 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,1,0,0,0,0|2,0,0]=3 2941 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,1,0,0,0,0|2,0,0]=3 2942 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,1,0,0,0,0|2,0,0]=3 2943 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,1,0,0,0,0|2,0,1]=4 2944 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,1,0,0,0,0|2,0,1]=4 2945 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,1,0,0,0,0|3,0,0]=4 2946 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|2,0,0]=3 2947 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|2,0,0]=3 2948 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,1,0,0,0,0|2,0,0]=3 2949 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,1,0,0,0,0|2,0,0]=3 2950 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,1,0,0,0,0|2,0,1]=4 2951 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,1,0,0,0,0|2,0,1]=4 2952 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,1,0,0,0,0|3,0,0]=4 2953 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,1,0,0,0,0|3,0,0]=4 2954 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,1,0,0,0,0|3,0,0]=4 2955 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,1,0,0,0,0|3,0,0]=4 2956 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,1,0,0,0,0|3,0,0]=4 2957 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,1,0,0,0,0|3,0,0]=4 2958 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,1,0,0,0,0|1,0,1]=3 2959 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,1,0,0,0,0|1,0,1]=3 2960 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,1,0,0,0,0|1,0,1]=3 2961 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,1,0,0,0,0|2,0,1]=4 2962 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,1,0,0,0,0|2,0,1]=4 2963 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,0,0,0,0|2,0,0]=3 2964 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,0,0,0,0|2,0,0]=3 2965 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,0,0,0,0|2,0,0]=3 2966 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,0,0,0,0|2,0,0]=3 2967 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,0,0,0,0|2,0,0]=3 2968 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,1,0,0,0,0|2,0,0]=3 2969 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,1,0,0,0,0|2,0,1]=4 2970 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,1,0,0,0,0|3,0,0]=4 2971 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,1,0,0,0,0|3,0,0]=4 2972 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,1,0,0,0,0|3,0,0]=4 2973 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,1,0,0,0,0|3,0,0]=4 2974 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,1,0,0,0,0|1,0,1]=3 2975 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|1,0,0]=2 2976 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,1,0,0,0,0|3,0,0]=4 2977 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,1,0,0,0,0|3,0,0]=4 2978 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,0,0,0,0|2,0,0]=3 2979 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,0,0,0,0|2,0,0]=3 2980 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,0,0,0,0|2,0,0]=3 2981 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,0,0,0,0|2,0,0]=3 2982 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,0,0,0,0|2,0,0]=3 2983 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,1,0,0,0,0|2,0,0]=3 2984 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,0,0,0,0|1,0,0]=2 2985 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,1,0,0,0,0|2,0,1]=4 2986 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,1,0,0,0,0|2,0,1]=4 2987 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,0,0,0,0|2,0,0]=3 2988 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,1,0,0,0,0|2,0,0]=3 2989 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,1,0,0,0,0|1,0,1]=3 2990 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,1,0,0,0,0|2,0,1]=4 2991 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,1,0,0,0,0|2,0,1]=4 2992 B10R0.4 COCCCCOC[N+](=O)[O-] 34a_100000740925_100000761209 [0,1,0,0,0,0|2,0,1]=4 2993 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,1,0,0,0,0|2,0,0]=3 2994 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,1,0,0,0,0|2,0,0]=3 2995 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,1,0,0,0,0|1,0,1]=3 2996 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,1,0,0,0,0|1,0,1]=3 2997 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,1,0,0,0,0|2,0,1]=4 2998 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,1,0,0,0,0|2,0,1]=4 2999 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,1,0,0,0,0|2,0,1]=4 3000 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,1,0,0,0,0|2,0,1]=4 3001 B10R0.4 COCCCCSC[N+](=O)[O-] 62a_100000730899_100000761209 [0,1,0,0,0,0|2,0,1]=4 3002 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,1,0,0,0,0|2,0,0]=3 3003 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,1,0,0,0,0|2,0,1]=4 3004 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,1,0,0,0,0|2,0,1]=4 3005 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,1,0,0,0,0|3,0,0]=4 3006 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,1,0,0,0,0|2,0,0]=3 3007 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,0,0,0,0|2,0,0]=3 3008 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,0,0,0,0|2,0,0]=3 3009 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,1,0,0,0,0|2,0,0]=3 3010 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,1,0,0,0,0|2,0,0]=3 3011 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,1,0,0,0,0|2,0,0]=3 3012 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,1,0,0,0,0|2,0,1]=4 3013 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,1,0,0,0,0|3,0,0]=4 3014 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,0,0,0,0|2,0,0]=3 3015 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,0,0,0,0|2,0,0]=3 3016 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,1,0,0,0,0|2,0,0]=3 3017 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,1,0,0,0,0|2,0,0]=3 3018 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,1,0,0,0,0|2,0,1]=4 3019 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,1,0,0,0,0|2,0,1]=4 3020 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,1,0,0,0,0|3,0,0]=4 3021 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,1,0,0,0,0|3,0,0]=4 3022 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,1,0,0,0,0|2,0,0]=3 3023 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,1,0,0,0,0|2,0,1]=4 3024 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,1,0,0,0,0|3,0,0]=4 3025 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,1,0,0,0,0|3,0,0]=4 3026 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,1,0,0,0,0|3,0,0]=4 3027 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,1,0,0,0,0|3,0,0]=4 3028 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,1,0,0,0,0|3,0,0]=4 3029 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,0,0,0,0|2,0,0]=3 3030 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,0,0,0,0|2,0,0]=3 3031 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,0,0,0,0|2,0,0]=3 3032 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,0,0,0,0|2,0,0]=3 3033 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,1,0,0,0,0|2,0,0]=3 3034 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,1,0,0,0,0|2,0,1]=4 3035 B10R0.4 COCCOCCC[N+](=O)[O-] 34a_200000037920_100011201679 [0,1,0,0,0,0|2,0,1]=4 3036 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,1,0,0,0,0|3,0,0]=4 3037 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,1,0,0,0,0|3,0,0]=4 3038 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,1,0,0,0,0|3,0,0]=4 3039 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,1,0,0,0,0|3,0,0]=4 3040 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,1,0,0,0,0|3,0,0]=4 3041 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,1,0,0,0,0|3,0,0]=4 3042 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,1,0,0,0,0|3,0,0]=4 3043 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,1,0,0,0,0|3,0,0]=4 3044 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,1,0,0,0,0|3,0,0]=4 3045 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,1,0,0,0,0|3,0,0]=4 3046 B10R0.4 COCCOCNCC(=O)N 2230a_100000711301_100000231047 [0,1,0,0,0,0|3,0,0]=4 3047 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,1,0,0,0,0|2,0,0]=3 3048 B10R0.4 COCCOCSCC(=O)N 62a_100000231047_100000747473 [0,1,0,0,0,0|3,0,0]=4 3049 B10R0.4 COCCOCSCC(=O)N 62a_100000747473_100000231047 [0,1,0,0,0,0|3,0,0]=4 3050 B10R0.4 COCCOCSCC(=O)[O-] 62a_100000231047_100020667443 [0,1,0,0,0,0|2,0,1]=4 3051 B10R0.4 COCCOCSCC(=O)[O-] 62a_100020667443_100000231047 [0,1,0,0,0,0|2,0,1]=4 3052 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,0,0,0,0|2,0,0]=3 3053 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,0,0,0,0|2,0,0]=3 3054 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,1,0,0,0,0|2,0,0]=3 3055 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,1,0,0,0,0|2,0,0]=3 3056 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,1,0,0,0,0|2,0,1]=4 3057 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,1,0,0,0,0|2,0,1]=4 3058 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,1,0,0,0,0|3,0,0]=4 3059 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,1,0,0,0,0|3,0,0]=4 3060 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,1,0,0,0,0|3,0,0]=4 3061 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,1,0,0,0,0|3,0,0]=4 3062 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,1,0,0,0,0|3,0,0]=4 3063 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,1,0,0,0,0|3,0,0]=4 3064 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,1,0,0,0,0|3,0,0]=4 3065 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,1,0,0,0,0|3,0,0]=4 3066 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,1,0,0,0,0|2,0,0]=3 3067 B10R0.4 COCSCCCCB(O)O 62a_100000766300_200009817182 [0,1,0,0,0,0|2,0,1]=4 3068 B10R0.4 COCSCCCCB(O)O 62a_200009817182_100000766300 [0,1,0,0,0,0|2,0,1]=4 3069 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,0,0,0,0|2,0,0]=3 3070 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,0,0,0,0|2,0,0]=3 3071 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,1,0,0,0,0|3,0,0]=4 3072 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,1,0,0,0,0|3,0,0]=4 3073 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,1,0,0,0,0|3,0,0]=4 3074 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,1,0,0,0,0|3,0,0]=4 3075 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [0,1,0,0,0,0|3,0,0]=4 3076 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [0,1,0,0,0,0|3,0,0]=4 3077 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,1,0,0,0,0|3,0,0]=4 3078 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,0,0,0,0|3,0,0]=4 3079 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,1,0,0,0,0|1,0,1]=3 3080 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,1,0,0,0,0|1,0,1]=3 3081 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,0,0,0,0|2,0,0]=3 3082 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,0,0,0,0|2,0,0]=3 3083 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,1,0,0,0,0|2,0,0]=3 3084 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,1,0,0,0,0|2,0,0]=3 3085 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,1,0,0,0,0|1,0,1]=3 3086 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,1,0,0,0,0|2,0,1]=4 3087 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,1,0,0,0,0|2,0,1]=4 3088 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,1,0,0,0,0|2,0,1]=4 3089 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,1,0,0,0,0|2,0,1]=4 3090 B10R0.4 CSCCCCOC[N+](=O)[O-] 34a_100011217163_100000761209 [0,1,0,0,0,0|2,0,1]=4 3091 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,1,0,0,0,0|2,0,0]=3 3092 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,1,0,0,0,0|2,0,1]=4 3093 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,0,0,0,0|2,0,0]=3 3094 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,1,0,0,0,0|2,0,0]=3 3095 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,1,0,0,0,0|2,0,0]=3 3096 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,1,0,0,0,0|2,0,1]=4 3097 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,1,0,0,0,0|2,0,1]=4 3098 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,1,0,0,0,0|3,0,0]=4 3099 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,1,0,0,0,0|2,0,0]=3 3100 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,1,0,0,0,0|2,0,1]=4 3101 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,1,0,0,0,0|3,0,0]=4 3102 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,1,0,0,0,0|3,0,0]=4 3103 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,1,0,0,0,0|3,0,0]=4 3104 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,1,0,0,0,0|3,0,0]=4 3105 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,1,0,0,0,0|3,0,0]=4 3106 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,0,0,0,0|2,0,0]=3 3107 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,0,0,0,0|2,0,0]=3 3108 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,0,0,0,0|2,0,0]=3 3109 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,0,0,0,0|2,0,0]=3 3110 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,1,0,0,0,0|2,0,0]=3 3111 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,1,0,0,0,0|2,0,0]=3 3112 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,1,0,0,0,0|2,0,1]=4 3113 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,1,0,0,0,0|2,0,1]=4 3114 B10R0.4 CSCCOCCC[N+](=O)[O-] 34a_200000037920_100000212216 [0,1,0,0,0,0|2,0,1]=4 3115 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,1,0,0,0,0|3,0,0]=4 3116 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,1,0,0,0,0|3,0,0]=4 3117 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,1,0,0,0,0|3,0,0]=4 3118 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,1,0,0,0,0|3,0,0]=4 3119 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,1,0,0,0,0|3,0,0]=4 3120 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,1,0,0,0,0|3,0,0]=4 3121 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,1,0,0,0,0|3,0,0]=4 3122 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,1,0,0,0,0|3,0,0]=4 3123 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,1,0,0,0,0|3,0,0]=4 3124 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,1,0,0,0,0|3,0,0]=4 3125 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,1,0,0,0,0|3,0,0]=4 3126 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,0,0,0,0|2,0,0]=3 3127 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,0,0,0,0|2,0,0]=3 3128 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,1,0,0,0,0|2,0,0]=3 3129 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,1,0,0,0,0|2,0,0]=3 3130 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,1,0,0,0,0|2,0,1]=4 3131 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,1,0,0,0,0|2,0,1]=4 3132 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,1,0,0,0,0|3,0,0]=4 3133 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,1,0,0,0,0|3,0,0]=4 3134 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,1,0,0,0,0|3,0,0]=4 3135 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,1,0,0,0,0|3,0,0]=4 3136 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,1,0,0,0,0|3,0,0]=4 3137 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,1,0,0,0,0|3,0,0]=4 3138 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,1,0,0,0,0|3,0,0]=4 3139 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,1,0,0,0,0|3,0,0]=4 3140 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,1,0,0,0,0|2,0,0]=3 3141 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,1,0,0,0,0|3,0,0]=4 3142 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,1,0,0,0,0|2,0,0]=3 3143 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,1,0,0,0,0|2,0,0]=3 3144 B10R0.4 CSCOCCCC[N+](=O)[O-] 34a_200015379883_100011218213 [0,1,0,0,0,0|2,0,1]=4 3145 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,1,0,0,0,0|3,0,0]=4 3146 B10R0.4 CSCSCCCCB(O)O 62a_100011218213_200009817182 [0,1,0,0,0,0|2,0,1]=4 3147 B10R0.4 CSCSCCCCB(O)O 62a_200009817182_100011218213 [0,1,0,0,0,0|2,0,1]=4 3148 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,0,0,0,0|2,0,0]=3 3149 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,0,0,0,0|2,0,0]=3 3150 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,1,0,0,0,0|3,0,0]=4 3151 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,1,0,0,0,0|3,0,0]=4 3152 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,1,0,0,0,0|3,0,0]=4 3153 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,1,0,0,0,0|3,0,0]=4 3154 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [0,1,0,0,0,0|3,0,0]=4 3155 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [0,1,0,0,0,0|3,0,0]=4 3156 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,1,0,0,0,0|2,0,1]=4 3157 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,1,0,0,0,0|2,0,1]=4 3158 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,1,0,0,0,0|2,0,1]=4 3159 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,1,0,0,0,0|2,0,1]=4 3160 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 3161 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 3162 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,1,0,0,0,0|2,0,1]=4 3163 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,1,0,0,0,0|2,0,1]=4 3164 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,1,0,0,0,0|2,0,1]=4 3165 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,1,0,0,0,0|2,0,1]=4 3166 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,1,0,0,0,0|2,0,1]=4 3167 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 3168 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,1,0,0,0,0|2,0,1]=4 3169 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [0,1,0,0,0,0|2,0,1]=4 3170 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,1,0,0,0,0|1,0,1]=3 3171 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [0,1,0,0,0,0|2,0,1]=4 3172 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [0,1,0,0,0,0|2,0,1]=4 3173 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100011219923_100020667443 [0,1,0,0,0,0|1,0,2]=4 3174 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100020667443_100000211819 [0,1,0,0,0,0|1,0,2]=4 3175 B10R0.4 N#CCCCNOCC(=O)O 269956a_100000106656_100000687738 [0,1,0,0,0,0|2,0,1]=4 3176 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [0,1,0,0,0,0|2,0,1]=4 3177 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [0,1,0,0,0,0|2,0,1]=4 3178 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [0,1,0,0,0,0|2,0,1]=4 3179 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [0,1,0,0,0,0|2,0,1]=4 3180 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [0,1,0,0,0,0|2,0,1]=4 3181 B10R0.4 N#CCNCCOCC(=O)O 269956a_100000700818_100011215382 [0,1,0,0,0,0|2,0,1]=4 3182 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [0,1,0,0,0,0|2,0,1]=4 3183 B10R0.4 N#CCOCCNCC(=O)O 269956a_100016091260_200000047693 [0,1,0,0,0,0|2,0,1]=4 3184 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,1,0,0,0,0|2,0,0]=3 3185 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,1,0,0,0,0|2,0,0]=3 3186 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,1,0,0,0,0|2,0,0]=3 3187 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,1,0,0,0,0|2,0,0]=3 3188 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [0,1,0,0,0,0|2,0,1]=4 3189 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,1,0,0,0,0|2,0,0]=3 3190 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,0,0,0,0|2,0,0]=3 3191 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,1,0,0,0,0|2,0,1]=4 3192 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,1,0,0,0,0|2,0,1]=4 3193 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,1,0,0,0,0|2,0,0]=3 3194 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,1,0,0,0,0|2,0,0]=3 3195 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,0,0,0,0|2,0,0]=3 3196 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,0,0,0,0|2,0,0]=3 3197 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,1,0,0,0,0|2,0,0]=3 3198 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,1,0,0,0,0|2,0,0]=3 3199 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,1,0,0,0,0|2,0,0]=3 3200 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,1,0,0,0,0|2,0,0]=3 3201 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,1,0,0,0,0|2,0,0]=3 3202 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,1,0,0,0,0|2,0,0]=3 3203 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,1,0,0,0,0|2,0,0]=3 3204 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,1,0,0,0,0|2,0,0]=3 3205 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,1,0,0,0,0|2,0,0]=3 3206 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,1,0,0,0,0|2,0,0]=3 3207 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,1,0,0,0,0|2,0,0]=3 3208 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,1,0,0,0,0|2,0,0]=3 3209 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,1,0,0,0,0|2,0,1]=4 3210 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,1,0,0,0,0|2,0,0]=3 3211 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,1,0,0,0,0|2,0,0]=3 3212 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,1,0,0,0,0|2,0,0]=3 3213 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,1,0,0,0,0|2,0,0]=3 3214 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,1,0,0,0,0|2,0,0]=3 3215 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,1,0,0,0,0|2,0,0]=3 3216 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,1,0,0,0,0|2,0,0]=3 3217 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,1,0,0,0,0|2,0,0]=3 3218 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,1,0,0,0,0|2,0,0]=3 3219 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,1,0,0,0,0|2,0,0]=3 3220 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [0,1,0,0,0,0|2,0,1]=4 3221 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [0,1,0,0,0,0|2,0,1]=4 3222 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,1,0,0,0,0|2,0,0]=3 3223 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,1,0,0,0,0|2,0,0]=3 3224 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,1,0,0,0,0|2,0,0]=3 3225 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,1,0,0,0,0|2,0,0]=3 3226 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,1,0,0,0,0|2,0,1]=4 3227 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,1,0,0,0,0|2,0,0]=3 3228 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,0,0,0,0|2,0,0]=3 3229 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,0,0,0,0|2,0,0]=3 3230 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,0]=3 3231 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [0,1,0,0,0,0|3,0,0]=4 3232 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [0,1,0,0,0,0|3,0,0]=4 3233 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [0,1,0,0,0,0|3,0,0]=4 3234 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [0,1,0,0,0,0|3,0,0]=4 3235 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,1,0,0,0,0|2,0,0]=3 3236 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,1,0,0,0,0|2,0,0]=3 3237 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,1,0,0,0,0|2,0,0]=3 3238 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,1,0,0,0,0|2,0,0]=3 3239 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,1,0,0,0,0|2,0,0]=3 3240 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,1,0,0,0,0|2,0,0]=3 3241 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [0,1,0,0,0,0|3,0,0]=4 3242 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,1,0,0,0,0|3,0,0]=4 3243 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,1,0,0,0,0|3,0,0]=4 3244 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,1,0,0,0,0|3,0,0]=4 3245 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,1,0,0,0,0|3,0,0]=4 3246 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,1,0,0,0,0|3,0,0]=4 3247 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,1,0,0,0,0|3,0,0]=4 3248 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,1,0,0,0,0|3,0,0]=4 3249 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,1,0,0,0,0|3,0,0]=4 3250 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,1,0,0,0,0|3,0,0]=4 3251 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,1,0,0,0,0|3,0,0]=4 3252 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,1,0,0,0,0|3,0,0]=4 3253 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [0,1,0,0,0,0|3,0,0]=4 3254 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [0,1,0,0,0,0|3,0,0]=4 3255 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,1,0,0,0,0|3,0,0]=4 3256 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,1,0,0,0,0|3,0,0]=4 3257 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [0,1,0,0,0,0|2,0,1]=4 3258 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [0,1,0,0,0,0|2,0,1]=4 3259 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,1,0,0,0,0|2,0,0]=3 3260 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,1,0,0,0,0|2,0,0]=3 3261 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,0,0,0,0|2,0,0]=3 3262 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,0,0,0,0|2,0,0]=3 3263 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [0,1,0,0,0,0|3,0,0]=4 3264 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [0,1,0,0,0,0|3,0,0]=4 3265 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,1,0,0,0,0|3,0,0]=4 3266 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,1,0,0,0,0|3,0,0]=4 3267 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,1,0,0,0,0|3,0,0]=4 3268 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,1,0,0,0,0|3,0,0]=4 3269 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,1,0,0,0,0|3,0,0]=4 3270 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,1,0,0,0,0|3,0,0]=4 3271 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,1,0,0,0,0|3,0,0]=4 3272 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,1,0,0,0,0|3,0,0]=4 3273 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,1,0,0,0,0|3,0,0]=4 3274 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,1,0,0,0,0|3,0,0]=4 3275 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,1,0,0,0,0|3,0,0]=4 3276 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,1,0,0,0,0|3,0,0]=4 3277 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,1,0,0,0,0|3,0,0]=4 3278 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,1,0,0,0,0|3,0,0]=4 3279 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,1,0,0,0,0|3,0,0]=4 3280 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,1,0,0,0,0|3,0,0]=4 3281 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,1,0,0,0,0|3,0,0]=4 3282 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,1,0,0,0,0|3,0,0]=4 3283 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,1,0,0,0,0|3,0,0]=4 3284 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,0]=3 3285 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,1,0,0,0,0|1,0,1]=3 3286 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,1,0,0,0,0|2,0,1]=4 3287 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,1,0,0,0,0|2,0,0]=3 3288 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,1,0,0,0,0|2,0,0]=3 3289 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,1,0,0,0,0|3,0,0]=4 3290 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,1,0,0,0,0|2,0,1]=4 3291 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,1,0,0,0,0|3,0,0]=4 3292 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,1,0,0,0,0|3,0,0]=4 3293 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,1,0,0,0,0|2,0,1]=4 3294 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [0,1,0,0,0,0|3,0,0]=4 3295 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,0,0,0,0|1,0,0]=2 3296 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,0,0,0,0|1,0,0]=2 3297 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,1,0,0,0,0|2,0,0]=3 3298 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,1,0,0,0,0|2,0,0]=3 3299 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,1,0,0,0,0|2,0,0]=3 3300 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,1,0,0,0,0|2,0,0]=3 3301 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,1,0,0,0,0|2,0,0]=3 3302 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,1,0,0,0,0|1,0,1]=3 3303 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,0,0,0,0|1,0,1]=3 3304 B10R0.4 O=C([O-])CNCCOCCO 34a_100000211614_100020667443 [0,1,0,0,0,0|2,0,1]=4 3305 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,1,0,0,0,0|1,0,1]=3 3306 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,1,0,0,0,0|1,0,1]=3 3307 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,1,0,0,0,0|1,0,1]=3 3308 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,1,0,0,0,0|2,0,1]=4 3309 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,1,0,0,0,0|2,0,1]=4 3310 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,1,0,0,0,0|2,0,1]=4 3311 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,1,0,0,0,0|2,0,1]=4 3312 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,1,0,0,0,0|1,0,1]=3 3313 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,1,0,0,0,0|1,0,1]=3 3314 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,0,0,0,0|1,0,1]=3 3315 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,0,0,0,0|1,0,1]=3 3316 B10R0.4 O=C([O-])CSCCOCCO 62a_100011215305_100020667443 [0,1,0,0,0,0|2,0,1]=4 3317 B10R0.4 O=C([O-])CSCCOCCO 62a_100020667443_100011215305 [0,1,0,0,0,0|2,0,1]=4 3318 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,1,0,0,0,0|1,0,1]=3 3319 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [0,1,0,0,0,0|1,0,2]=4 3320 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [0,1,0,0,0,0|1,0,2]=4 3321 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [0,1,0,0,0,0|2,0,1]=4 3322 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [0,1,0,0,0,0|2,0,1]=4 3323 B10R0.4 O=[N+]([O-])CCCCOCCF 34a_200015379883_100011217306 [0,1,0,0,0,0|2,0,1]=4 3324 B10R0.4 O=[N+]([O-])CCCCOCCF 7a_200015379883_100011217306 [0,1,0,0,0,0|2,0,1]=4 3325 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,1,0,0,0,0|2,0,1]=4 3326 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,1,0,0,0,0|2,0,1]=4 3327 B10R0.4 O=[N+]([O-])CCCOCCCF 34a_200000037920_100011934791 [0,1,0,0,0,0|2,0,1]=4 3328 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,1,0,0,0,0|2,0,1]=4 3329 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,1,0,0,0,0|2,0,1]=4 3330 B10R0.4 O=[N+]([O-])COCCCCCBr 34a_100000746331_100000761209 [0,1,0,0,0,0|2,0,1]=4 3331 B10R0.4 O=[N+]([O-])COCCCCCCl 34a_100000746330_100000761209 [0,1,0,0,0,0|2,0,1]=4 3332 B10R0.4 O=[N+]([O-])COCCCCCI 34a_200012148887_100000761209 [0,1,0,0,0,0|2,0,1]=4 3333 B10R0.4 O=[N+]([O-])CSCCCCCF 62a_100000729378_100000761209 [0,1,0,0,0,0|2,0,1]=4 3334 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,1,0,0,0,0|2,0,1]=4 3335 B10R0.4 OB(O)CCCCCSCF 62a_100015361967_200009817188 [0,1,0,0,0,0|2,0,1]=4 3336 B10R0.4 OB(O)CCCCCSCF 62a_200009817188_100015361967 [0,1,0,0,0,0|2,0,1]=4 3337 B10R0.4 OB(O)CCCCNCCF 34a_100000724931_200009817182 [0,1,0,0,0,0|2,0,1]=4 3338 B10R0.4 OB(O)CCCCOCCBr 34a_100000211926_200009817182 [0,1,0,0,0,0|2,0,1]=4 3339 B10R0.4 OB(O)CCCCSCCF 62a_100011217306_200009817182 [0,1,0,0,0,0|2,0,1]=4 3340 B10R0.4 OB(O)CCCCSCCF 62a_200009817182_100011217306 [0,1,0,0,0,0|2,0,1]=4 3341 B10R0.4 OCCNCCCCB(O)O 2230a_100016997473_200009817182 [0,1,0,0,0,0|2,0,1]=4 3342 B10R0.4 OCCNCCCCB(O)O 34a_100016990907_200009817182 [0,1,0,0,0,0|2,0,1]=4 3343 B10R0.4 OCCSCCCCB(O)O 62a_100000211926_200009817182 [0,1,0,0,0,0|2,0,1]=4 3344 B10R0.4 OCCSCCCCB(O)O 62a_200009817182_100000211926 [0,1,0,0,0,0|2,0,1]=4 3345 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|1,0,0]=2 3346 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,1,0,0,0,0|3,0,0]=4 3347 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,1,0,0,0,0|3,0,0]=4 3348 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,1,0,0,0,0|1,0,1]=3 3349 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,1,0,0,0,0|1,0,1]=3 3350 B10R0.6 C#CCCCN(C)CC(=O)O 269956a_100000746989_100011215417 [0,1,0,0,0,0|1,0,2]=4 3351 B10R0.6 C#CCNCC(O)CC(=O)O 269956a_100011218706_100000184674 [0,1,0,0,0,0|1,0,2]=4 3352 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,1,0,0,0,0|2,0,1]=4 3353 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,1,0,0,0,0|3,0,0]=4 3354 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,1,0,0,0,0|3,0,0]=4 3355 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,1,0,0,0,0|3,0,0]=4 3356 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,1,0,0,0,0|3,0,0]=4 3357 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,1,0,0,0,0|2,0,1]=4 3358 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [0,1,0,0,0,0|3,0,0]=4 3359 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [0,1,0,0,0,0|3,0,0]=4 3360 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,1,0,0,0,0|1,0,2]=4 3361 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [0,1,0,0,0,0|1,0,2]=4 3362 B10R0.6 CC/C=C\CN(C)CC(=O)O 269956a_100000746989_100103147603 [0,1,0,0,0,0|1,0,2]=4 3363 B10R0.6 CCC#CCN(C)CC(=O)O 269956a_100000746989_100009813939 [0,1,0,0,0,0|1,0,2]=4 3364 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,0|1,0,1]=3 3365 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,1,0,0,0,0|1,0,1]=3 3366 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,1,0,0,0,0|1,0,1]=3 3367 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,1,0,0,0,0|0,0,2]=3 3368 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,0|1,0,2]=4 3369 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,0|1,0,2]=4 3370 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,1,0,0,0,0|1,0,2]=4 3371 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,0|2,0,0]=3 3372 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,0|2,0,0]=3 3373 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,0|2,0,0]=3 3374 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,0|2,0,0]=3 3375 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,1,0,0,0,0|2,0,0]=3 3376 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,1,0,0,0,0|2,0,0]=3 3377 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,1,0,0,0,0|2,0,0]=3 3378 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,1,0,0,0,0|1,0,0]=2 3379 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,1,0,0,0,0|1,0,1]=3 3380 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,1,0,0,0,0|2,0,1]=4 3381 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,1,0,0,0,0|2,0,1]=4 3382 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,1,0,0,0,0|2,0,1]=4 3383 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,1,0,0,0,0|2,0,1]=4 3384 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,1,0,0,0,0|2,0,1]=4 3385 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,1,0,0,0,0|2,0,1]=4 3386 B10R0.6 CCCCCN(C)C[N+](=O)[O-] 269982a_100000223495_100000761209 [0,1,0,0,0,0|2,0,1]=4 3387 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,1,0,0,0,0|2,0,1]=4 3388 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,1,0,0,0,0|2,0,1]=4 3389 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,1,0,0,0,0|2,0,1]=4 3390 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,1,0,0,0,0|2,0,1]=4 3391 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,1,0,0,0,0|3,0,0]=4 3392 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,1,0,0,0,0|3,0,0]=4 3393 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,0,0,0,0|1,0,0]=2 3394 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,1,0,0,0,0|2,0,1]=4 3395 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,1,0,0,0,0|1,0,2]=4 3396 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,1,0,0,0,0|2,0,1]=4 3397 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,1,0,0,0,0|1,0,2]=4 3398 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,1,0,0,0,0|2,0,1]=4 3399 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,1,0,0,0,0|2,0,1]=4 3400 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,1,0,0,0,0|1,0,2]=4 3401 B10R0.6 CCOCCN(C)CC(=O)N 2230a_100000739694_100011215890 [0,1,0,0,0,0|3,0,0]=4 3402 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,1,0,0,0,0|2,0,0]=3 3403 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,1,0,0,0,0|2,0,1]=4 3404 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,1,0,0,0,0|2,0,1]=4 3405 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,1,0,0,0,0|1,0,2]=4 3406 B10R0.6 CCSCCN(C)CC(=O)N 2230a_100000739694_100000757381 [0,1,0,0,0,0|3,0,0]=4 3407 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,1,0,0,0,0|2,0,0]=3 3408 B10R0.6 CN(CCCC#N)CC(=O)O 269956a_100000746989_100000687738 [0,1,0,0,0,0|2,0,1]=4 3409 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [0,1,0,0,0,0|2,0,1]=4 3410 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [0,1,0,0,0,0|3,0,0]=4 3411 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,1,0,0,0,0|2,0,0]=3 3412 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,1,0,0,0,0|3,0,0]=4 3413 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,1,0,0,0,0|3,0,0]=4 3414 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,1,0,0,0,0|3,0,0]=4 3415 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,1,0,0,0,0|2,0,0]=3 3416 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,1,0,0,0,0|2,0,1]=4 3417 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,1,0,0,0,0|2,0,1]=4 3418 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,1,0,0,0,0|2,0,1]=4 3419 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,1,0,0,0,0|1,0,2]=4 3420 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000224831_100000747473 [0,1,0,0,0,0|3,0,0]=4 3421 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000739694_100000740836 [0,1,0,0,0,0|3,0,0]=4 3422 B10R0.6 COCCCN(C)CC(=O)N 269982a_100000224831_100000187820 [0,1,0,0,0,0|3,0,0]=4 3423 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,1,0,0,0,0|2,0,0]=3 3424 B10R0.6 COCCCN(C)CC(=O)[O-] 269982a_100000224831_100020667443 [0,1,0,0,0,0|2,0,1]=4 3425 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,1,0,0,0,0|2,0,0]=3 3426 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,1,0,0,0,0|2,0,1]=4 3427 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,1,0,0,0,0|1,0,2]=4 3428 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,1,0,0,0,0|2,0,0]=3 3429 B10R0.6 N#CCNCC(O)CC(=O)O 269956a_100011218706_100011215382 [0,1,0,0,0,0|2,0,1]=4 3430 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,1,0,0,0,0|2,0,1]=4 3431 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,1,0,0,0,0|2,0,1]=4 3432 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,1,0,0,0,0|2,0,1]=4 3433 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,1,0,0,0,0|2,0,0]=3 3434 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,1,0,0,0,0|2,0,0]=3 3435 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,1,0,0,0,0|1,0,2]=4 3436 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [0,1,0,0,0,0|2,0,1]=4 3437 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [0,1,0,0,0,0|2,0,1]=4 3438 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [0,1,0,0,0,0|2,0,1]=4 3439 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [0,1,0,0,0,0|2,0,1]=4 3440 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [0,1,0,0,0,0|2,0,1]=4 3441 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [0,1,0,0,0,0|2,0,1]=4 3442 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [0,1,0,0,0,0|2,0,1]=4 3443 B10R0.22 CCCCCOCS(=O)(=O)[O-] 34a_100000210253_100009817235 [0,1,0,0,0,0|2,0,1]=4 3444 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [0,1,0,0,0,0|2,0,1]=4 3445 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [0,1,0,0,0,0|2,0,1]=4 3446 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000210326_100000741382 [0,1,0,0,0,0|2,0,1]=4 3447 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000741382_100000210326 [0,1,0,0,0,0|2,0,1]=4 3448 B10R0.22 CCCCCSCS(=O)(=O)[O-] 62a_100000210326_100009817235 [0,1,0,0,0,0|2,0,1]=4 3449 B10R0.22 CCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210326 [0,1,0,0,0,0|2,0,1]=4 3450 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [0,1,0,0,0,0|2,0,1]=4 3451 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [0,1,0,0,0,0|2,0,1]=4 3452 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [0,1,0,0,0,0|2,0,1]=4 3453 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [0,1,0,0,0,0|2,0,1]=4 3454 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [0,1,0,0,0,0|2,0,1]=4 3455 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [0,1,0,0,0,0|2,0,1]=4 3456 B10R0.22 CCCCNCCS(=O)(=O)N 2230a_100000738205_100000210211 [0,1,0,0,0,0|2,0,1]=4 3457 B10R0.22 CCCCNCCS(=O)(=O)N 34a_100000738205_100000210210 [0,1,0,0,0,0|2,0,1]=4 3458 B10R0.22 CCCCNCCS(=O)(=O)[O-] 2230a_100000102301_100000737633 [0,1,0,0,0,0|2,0,1]=4 3459 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [0,1,0,0,0,0|2,0,1]=4 3460 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [0,1,0,0,0,0|2,0,1]=4 3461 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [0,1,0,0,0,0|2,0,1]=4 3462 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [0,1,0,0,0,0|2,0,1]=4 3463 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [0,1,0,0,0,0|2,0,1]=4 3464 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [0,1,0,0,0,0|2,0,1]=4 3465 B10R0.22 CCCCOCCS(=O)(=O)N 34a_100012334274_100000210210 [0,1,0,0,0,0|2,0,1]=4 3466 B10R0.22 CCCCOCCS(=O)(=O)[O-] 34a_100000210227_100000762736 [0,1,0,0,0,0|2,0,1]=4 3467 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [0,1,0,0,0,0|2,0,1]=4 3468 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [0,1,0,0,0,0|2,0,1]=4 3469 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [0,1,0,0,0,0|2,0,1]=4 3470 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [0,1,0,0,0,0|2,0,1]=4 3471 B10R0.22 CCCCSCCS(=O)(=O)[O-] 62a_100000210211_100000762736 [0,1,0,0,0,0|2,0,1]=4 3472 B10R0.22 CCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210210 [0,1,0,0,0,0|2,0,1]=4 3473 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [0,1,0,0,0,0|2,0,1]=4 3474 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [0,1,0,0,0,0|2,0,1]=4 3475 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [0,1,0,0,0,0|2,0,1]=4 3476 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [0,1,0,0,0,0|2,0,1]=4 3477 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [0,1,0,0,0,0|2,0,1]=4 3478 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [0,1,0,0,0,0|2,0,1]=4 3479 B10R0.22 CCCOCCCS(=O)(=O)N 34a_100000210258_100000750626 [0,1,0,0,0,0|2,0,1]=4 3480 B10R0.22 CCCOCCCS(=O)(=O)[O-] 34a_100000210258_100009813499 [0,1,0,0,0,0|2,0,1]=4 3481 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [0,1,0,0,0,0|2,0,1]=4 3482 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [0,1,0,0,0,0|2,0,1]=4 3483 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [0,1,0,0,0,0|2,0,1]=4 3484 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [0,1,0,0,0,0|2,0,1]=4 3485 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000210303_100000750626 [0,1,0,0,0,0|2,0,1]=4 3486 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000750626_100000210303 [0,1,0,0,0,0|2,0,1]=4 3487 B10R0.22 CCCSCCCS(=O)(=O)[O-] 62a_100000210303_100009813499 [0,1,0,0,0,0|2,0,1]=4 3488 B10R0.22 CCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210303 [0,1,0,0,0,0|2,0,1]=4 3489 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [0,1,0,0,0,0|2,0,1]=4 3490 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [0,1,0,0,0,0|2,0,1]=4 3491 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [0,1,0,0,0,0|2,0,1]=4 3492 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [0,1,0,0,0,0|2,0,1]=4 3493 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [0,1,0,0,0,0|2,0,1]=4 3494 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [0,1,0,0,0,0|2,0,1]=4 3495 B10R0.55 C=C(Br)CCOCC(C)CC 34a_100009813270_100000748023 [0,1,0,0,0,0|3,0,0]=4 3496 B10R0.55 C=C(Br)CCOCC(O)CC 34a_100009813270_100011218378 [0,1,0,0,0,0|3,0,0]=4 3497 B10R0.55 C=C(Br)CCOC[C@@H](C)CC 34a_100009813270_100009816398 [0,1,0,0,0,0|3,0,0]=4 3498 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,1,0,0,0,0|3,0,0]=4 3499 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,1,0,0,0,0|3,0,0]=4 3500 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,1,0,0,0,0|3,0,0]=4 3501 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,1,0,0,0,0|3,0,0]=4 3502 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,1,0,0,0,0|3,0,0]=4 3503 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,1,0,0,0,0|3,0,0]=4 3504 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,1,0,0,0,0|3,0,0]=4 3505 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,1,0,0,0,0|3,0,0]=4 3506 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,1,0,0,0,0|3,0,0]=4 3507 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,1,0,0,0,0|3,0,0]=4 3508 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,1,0,0,0,0|3,0,0]=4 3509 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,1,0,0,0,0|3,0,0]=4 3510 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,1,0,0,0,0|3,0,0]=4 3511 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,1,0,0,0,0|3,0,0]=4 3512 B10R0.55 C=C(F)CNCCC(C)CC 2230a_100020591266_100009893438 [0,1,0,0,0,0|3,0,0]=4 3513 B10R0.55 C=C(F)COCCC(C)CC 7a_100011215188_100000042424 [0,1,0,0,0,0|3,0,0]=4 3514 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,0|2,0,1]=4 3515 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,1,0,0,0,0|3,0,0]=4 3516 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,1,0,0,0,0|3,0,0]=4 3517 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,1,0,0,0,0|3,0,0]=4 3518 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,1,0,0,0,0|3,0,0]=4 3519 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,1,0,0,0,0|3,0,0]=4 3520 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,1,0,0,0,0|3,0,0]=4 3521 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,1,0,0,0,0|3,0,0]=4 3522 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,1,0,0,0,0|3,0,0]=4 3523 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,1,0,0,0,0|3,0,0]=4 3524 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,1,0,0,0,0|3,0,0]=4 3525 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,1,0,0,0,0|3,0,0]=4 3526 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,1,0,0,0,0|3,0,0]=4 3527 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,1,0,0,0,0|3,0,0]=4 3528 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,1,0,0,0,0|3,0,0]=4 3529 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,1,0,0,0,0|3,0,0]=4 3530 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,1,0,0,0,0|3,0,0]=4 3531 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,1,0,0,0,0|3,0,0]=4 3532 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,1,0,0,0,0|3,0,0]=4 3533 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,1,0,0,0,0|3,0,0]=4 3534 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,1,0,0,0,0|3,0,0]=4 3535 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,1,0,0,0,0|3,0,0]=4 3536 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,1,0,0,0,0|3,0,0]=4 3537 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,1,0,0,0,0|3,0,0]=4 3538 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,1,0,0,0,0|3,0,0]=4 3539 B10R0.55 CC(CF)OCCCC(=O)N 34a_100016041109_100102525003 [0,1,0,0,0,0|3,0,0]=4 3540 B10R0.55 CC(CF)OCCCC(=O)N 7a_100016041109_100102525003 [0,1,0,0,0,0|3,0,0]=4 3541 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [0,1,0,0,0,0|3,0,0]=4 3542 B10R0.55 CC(CN)OCCCC(=O)N 34a_100000210904_100102525003 [0,1,0,0,0,0|3,0,0]=4 3543 B10R0.55 CC(CO)CCNCC(=O)N 2230a_106354213184_100000747473 [0,1,0,0,0,0|3,0,0]=4 3544 B10R0.55 CC(CO)CCNCC(=O)N 34a_106354213184_100000187820 [0,1,0,0,0,0|3,0,0]=4 3545 B10R0.55 CC(CO)CCNCC(=O)[O-] 34a_106354213184_100020667443 [0,1,0,0,0,0|2,0,1]=4 3546 B10R0.55 CC(CO)CNCCC(=O)N 34a_100000744482_100000731001 [0,1,0,0,0,0|3,0,0]=4 3547 B10R0.55 CC(CO)NCCCC(=O)N 34a_100000739312_100012180447 [0,1,0,0,0,0|3,0,0]=4 3548 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [0,1,0,0,0,0|3,0,0]=4 3549 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,1,0,0,0,0|1,0,2]=4 3550 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,1,0,0,0,0|1,0,1]=3 3551 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,1,0,0,0,0|2,0,1]=4 3552 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,1,0,0,0,0|2,0,1]=4 3553 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,1,0,0,0,0|2,0,1]=4 3554 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,1,0,0,0,0|2,0,1]=4 3555 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,1,0,0,0,0|2,0,1]=4 3556 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,1,0,0,0,0|2,0,1]=4 3557 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,1,0,0,0,0|2,0,1]=4 3558 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,1,0,0,0,0|2,0,1]=4 3559 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,1,0,0,0,0|2,0,1]=4 3560 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,1,0,0,0,0|2,0,1]=4 3561 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,1,0,0,0,0|2,0,1]=4 3562 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,1,0,0,0,0|2,0,1]=4 3563 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,1,0,0,0,0|2,0,1]=4 3564 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,1,0,0,0,0|2,0,1]=4 3565 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,1,0,0,0,0|2,0,1]=4 3566 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,1,0,0,0,0|2,0,0]=3 3567 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,1,0,0,0,0|2,0,1]=4 3568 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,1,0,0,0,0|2,0,1]=4 3569 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,1,0,0,0,0|2,0,0]=3 3570 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,1,0,0,0,0|2,0,1]=4 3571 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,1,0,0,0,0|2,0,1]=4 3572 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,1,0,0,0,0|2,0,0]=3 3573 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,1,0,0,0,0|2,0,1]=4 3574 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,1,0,0,0,0|2,0,1]=4 3575 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,1,0,0,0,0|2,0,1]=4 3576 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,1,0,0,0,0|2,0,0]=3 3577 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,1,0,0,0,0|2,0,0]=3 3578 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,1,0,0,0,0|2,0,0]=3 3579 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,1,0,0,0,0|2,0,0]=3 3580 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,1,0,0,0,0|2,0,0]=3 3581 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,1,0,0,0,0|2,0,0]=3 3582 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,1,0,0,0,0|2,0,0]=3 3583 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,1,0,0,0,0|2,0,0]=3 3584 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,1,0,0,0,0|2,0,0]=3 3585 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,1,0,0,0,0|2,0,1]=4 3586 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,1,0,0,0,0|2,0,1]=4 3587 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,1,0,0,0,0|3,0,0]=4 3588 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,1,0,0,0,0|3,0,0]=4 3589 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,1,0,0,0,0|2,0,0]=3 3590 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,1,0,0,0,0|2,0,1]=4 3591 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,1,0,0,0,0|3,0,0]=4 3592 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,1,0,0,0,0|3,0,0]=4 3593 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,1,0,0,0,0|3,0,0]=4 3594 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [0,1,0,0,0,0|3,0,0]=4 3595 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [0,1,0,0,0,0|3,0,0]=4 3596 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,0,0,0,0|2,0,0]=3 3597 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,0,0,0,0|2,0,0]=3 3598 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,0,0,0,0|2,0,0]=3 3599 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,1,0,0,0,0|2,0,0]=3 3600 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,1,0,0,0,0|2,0,1]=4 3601 B10R0.55 CCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215416 [0,1,0,0,0,0|2,0,1]=4 3602 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,1,0,0,0,0|3,0,0]=4 3603 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,1,0,0,0,0|3,0,0]=4 3604 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,1,0,0,0,0|3,0,0]=4 3605 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,1,0,0,0,0|3,0,0]=4 3606 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,1,0,0,0,0|3,0,0]=4 3607 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,1,0,0,0,0|3,0,0]=4 3608 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,1,0,0,0,0|3,0,0]=4 3609 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,0,0,0,0|2,0,0]=3 3610 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,0,0,0,0|2,0,0]=3 3611 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,1,0,0,0,0|2,0,0]=3 3612 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,1,0,0,0,0|2,0,0]=3 3613 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,1,0,0,0,0|2,0,1]=4 3614 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,1,0,0,0,0|2,0,1]=4 3615 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,1,0,0,0,0|3,0,0]=4 3616 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,1,0,0,0,0|3,0,0]=4 3617 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [0,1,0,0,0,0|3,0,0]=4 3618 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [0,1,0,0,0,0|3,0,0]=4 3619 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,1,0,0,0,0|3,0,0]=4 3620 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,1,0,0,0,0|3,0,0]=4 3621 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,1,0,0,0,0|3,0,0]=4 3622 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,1,0,0,0,0|3,0,0]=4 3623 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,1,0,0,0,0|2,0,0]=3 3624 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,1,0,0,0,0|2,0,1]=4 3625 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,1,0,0,0,0|2,0,1]=4 3626 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,1,0,0,0,0|2,0,0]=3 3627 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,0,0,0,0|2,0,0]=3 3628 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,0,0,0,0|2,0,0]=3 3629 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,1,0,0,0,0|2,0,0]=3 3630 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,1,0,0,0,0|2,0,0]=3 3631 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,0,0,0,0|2,0,0]=3 3632 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,0,0,0,0|2,0,0]=3 3633 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,1,0,0,0,0|2,0,0]=3 3634 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,1,0,0,0,0|2,0,0]=3 3635 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,1,0,0,0,0|2,0,1]=4 3636 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,1,0,0,0,0|2,0,1]=4 3637 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,1,0,0,0,0|3,0,0]=4 3638 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,1,0,0,0,0|3,0,0]=4 3639 B10R0.55 CCN(C)CCCCB(O)O 2230a_100000225621_200009817182 [0,1,0,0,0,0|2,0,1]=4 3640 B10R0.55 CCN(C)CCCCB(O)O 269982a_100000225621_200009817182 [0,1,0,0,0,0|2,0,1]=4 3641 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,0,0,0,0|2,0,0]=3 3642 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,1,0,0,0,0|3,0,0]=4 3643 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,1,0,0,0,0|3,0,0]=4 3644 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,1,0,0,0,0|3,0,0]=4 3645 B10R0.55 CCN(C)CCOCC(=O)N 2230a_100000225621_100000076697 [0,1,0,0,0,0|3,0,0]=4 3646 B10R0.55 CCN(C)CCOCC(=O)N 269982a_100000225621_100000076697 [0,1,0,0,0,0|3,0,0]=4 3647 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,1,0,0,0,0|2,0,1]=4 3648 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,1,0,0,0,0|2,0,0]=3 3649 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,1,0,0,0,0|2,0,0]=3 3650 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,1,0,0,0,0|2,0,0]=3 3651 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,1,0,0,0,0|2,0,0]=3 3652 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,1,0,0,0,0|2,0,0]=3 3653 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,1,0,0,0,0|2,0,0]=3 3654 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,1,0,0,0,0|2,0,0]=3 3655 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,1,0,0,0,0|2,0,1]=4 3656 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,1,0,0,0,0|2,0,0]=3 3657 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,1,0,0,0,0|2,0,0]=3 3658 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,1,0,0,0,0|2,0,0]=3 3659 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,1,0,0,0,0|2,0,0]=3 3660 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,1,0,0,0,0|2,0,1]=4 3661 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,1,0,0,0,0|2,0,1]=4 3662 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,1,0,0,0,0|3,0,0]=4 3663 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,1,0,0,0,0|3,0,0]=4 3664 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,1,0,0,0,0|2,0,1]=4 3665 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,1,0,0,0,0|2,0,1]=4 3666 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,1,0,0,0,0|2,0,1]=4 3667 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,1,0,0,0,0|2,0,1]=4 3668 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,1,0,0,0,0|2,0,1]=4 3669 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [0,1,0,0,0,0|3,0,0]=4 3670 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [0,1,0,0,0,0|3,0,0]=4 3671 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,1,0,0,0,0|3,0,0]=4 3672 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,1,0,0,0,0|3,0,0]=4 3673 B10R0.55 COC(C)SCCCC(=O)N 62a_100009879195_100102525003 [0,1,0,0,0,0|3,0,0]=4 3674 B10R0.55 COC(C)SCCCC(=O)N 62a_100102525003_100009879195 [0,1,0,0,0,0|3,0,0]=4 3675 B10R0.55 CO[C@H](C)CNCCC(=O)N 2230a_100020591295_100000744528 [0,1,0,0,0,0|3,0,0]=4 3676 B10R0.55 C[C@@H](CO)CNOCC(=O)O 269956a_100000106656_100000059175 [0,1,0,0,0,0|3,0,0]=4 3677 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [0,1,0,0,0,0|3,0,0]=4 3678 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [0,1,0,0,0,0|3,0,0]=4 3679 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [0,1,0,0,0,0|3,0,0]=4 3680 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [0,1,0,0,0,0|3,0,0]=4 3681 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [0,1,0,0,0,0|3,0,0]=4 3682 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [0,1,0,0,0,0|3,0,0]=4 3683 B10R0.55 NC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000731001 [0,1,0,0,0,0|3,0,0]=4 3684 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [0,1,0,0,0,0|3,0,0]=4 3685 B10R0.55 NC(=O)CCOCC(Cl)CCl 34a_100000033668_100000731001 [0,1,0,0,0,0|3,0,0]=4 3686 B10R0.55 NC(=O)CCOCC(O)CO 34a_100000757172_100011219619 [0,1,0,0,0,0|3,0,0]=4 3687 B10R0.55 NC(=O)CCOCC(O)CO 7a_100000757172_100011219619 [0,1,0,0,0,0|3,0,0]=4 3688 B10R0.55 NC(=O)CCOC[C@@H](O)CF 34a_100000757172_100015614560 [0,1,0,0,0,0|3,0,0]=4 3689 B10R0.55 NC(=O)CCOC[C@@H](O)CF 7a_100000757172_100015614560 [0,1,0,0,0,0|3,0,0]=4 3690 B10R0.55 NC(=O)CCOC[C@@H](O)CO 34a_100000757172_100009815848 [0,1,0,0,0,0|3,0,0]=4 3691 B10R0.55 NC(=O)CCOC[C@@H](O)CO 7a_100000757172_100009815848 [0,1,0,0,0,0|3,0,0]=4 3692 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [0,1,0,0,0,0|3,0,0]=4 3693 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [0,1,0,0,0,0|3,0,0]=4 3694 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100000744528_100015614560 [0,1,0,0,0,0|3,0,0]=4 3695 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000744528 [0,1,0,0,0,0|3,0,0]=4 3696 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [0,1,0,0,0,0|3,0,0]=4 3697 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [0,1,0,0,0,0|3,0,0]=4 3698 B10R0.55 NC[C@@H](F)COCCC(=O)N 34a_100015665980_100000731001 [0,1,0,0,0,0|3,0,0]=4 3699 B10R0.55 O=C(O)CONCC(O)CO 269956a_100000106656_100011219619 [0,1,0,0,0,0|3,0,0]=4 3700 B10R0.55 O=C(O)CONC[C@@H](O)CF 269956a_100000106656_100015614560 [0,1,0,0,0,0|3,0,0]=4 3701 B10R0.55 O=C(O)CONC[C@@H](O)CO 269956a_100000106656_100009815848 [0,1,0,0,0,0|3,0,0]=4 3702 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,1,0,0,0,0|2,0,1]=4 3703 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,1,0,0,0,0|1,0,2]=4 3704 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,0,0,0,0|1,0,0]=2 3705 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,1,0,0,0,0|2,0,0]=3 3706 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,1,0,0,0,0|2,0,0]=3 3707 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,1,0,0,0,0|2,0,0]=3 3708 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,1,0,0,0,0|3,0,0]=4 3709 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,1,0,0,0,0|2,0,1]=4 3710 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,1,0,0,0,0|2,0,1]=4 3711 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,1,0,0,0,0|2,0,1]=4 3712 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,1,0,0,0,0|2,0,1]=4 3713 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,1,0,0,0,0|2,0,1]=4 3714 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,1,0,0,0,0|2,0,1]=4 3715 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,1,0,0,0,0|2,0,1]=4 3716 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,1,0,0,0,0|2,0,1]=4 3717 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,1,0,0,0,0|1,0,2]=4 3718 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,1,0,0,0,0|1,0,2]=4 3719 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,1,0,0,0,0|1,0,2]=4 3720 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,1,0,0,0,0|1,0,2]=4 3721 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,1,0,0,0,0|1,0,2]=4 3722 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,1,0,0,0,0|0,0,2]=3 3723 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,1,0,0,0,0|1,0,2]=4 3724 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,1,0,0,0,0|1,0,2]=4 3725 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,1,0,0,0,0|1,0,2]=4 3726 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,1,0,0,0,0|1,0,2]=4 3727 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,1,0,0,0,0|1,0,2]=4 3728 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,1,0,0,0,0|1,0,2]=4 3729 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,1,0,0,0,0|1,0,2]=4 3730 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,1,0,0,0,0|1,0,2]=4 3731 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,1,0,0,0,0|1,0,2]=4 3732 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,1,0,0,0,0|1,0,2]=4 3733 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,1,0,0,0,0|1,0,2]=4 3734 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,1,0,0,0,0|1,0,2]=4 3735 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,1,0,0,0,0|1,0,2]=4 3736 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,1,0,0,0,0|1,0,2]=4 3737 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,1,0,0,0,0|1,0,2]=4 3738 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,1,0,0,0,0|1,0,2]=4 3739 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,1,0,0,0,0|1,0,2]=4 3740 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,1,0,0,0,0|1,0,2]=4 3741 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,1,0,0,0,0|1,0,2]=4 3742 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,1,0,0,0,0|1,0,2]=4 3743 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,1,0,0,0,0|1,0,2]=4 3744 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,1,0,0,0,0|1,0,2]=4 3745 B10R0.74 C=C(C#N)CNCCCCC 2230a_100000209983_100000694840 [0,1,0,0,0,0|3,0,0]=4 3746 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,1,0,0,0,0|3,0,0]=4 3747 B10R0.74 C=C(C#N)CSCCCCC 62a_100000210326_100000694840 [0,1,0,0,0,0|3,0,0]=4 3748 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,1,0,0,0,0|2,0,1]=4 3749 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,0,0,0,0|1,0,0]=2 3750 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,1,0,0,0,0|2,0,0]=3 3751 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,0,0,0,0|2,0,0]=3 3752 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,1,0,0,0,0|2,0,0]=3 3753 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,1,0,0,0,0|3,0,0]=4 3754 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,1,0,0,0,0|2,0,0]=3 3755 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,1,0,0,0,0|2,0,0]=3 3756 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,1,0,0,0,0|3,0,0]=4 3757 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,1,0,0,0,0|3,0,0]=4 3758 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,1,0,0,0,0|3,0,0]=4 3759 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,1,0,0,0,0|3,0,0]=4 3760 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,1,0,0,0,0|3,0,0]=4 3761 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,1,0,0,0,0|3,0,0]=4 3762 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,1,0,0,0,0|3,0,0]=4 3763 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,1,0,0,0,0|3,0,0]=4 3764 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,1,0,0,0,0|3,0,0]=4 3765 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,1,0,0,0,0|3,0,0]=4 3766 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,1,0,0,0,0|3,0,0]=4 3767 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,1,0,0,0,0|3,0,0]=4 3768 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,1,0,0,0,0|3,0,0]=4 3769 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,1,0,0,0,0|3,0,0]=4 3770 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,1,0,0,0,0|2,0,1]=4 3771 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,1,0,0,0,0|2,0,1]=4 3772 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,1,0,0,0,0|2,0,1]=4 3773 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,1,0,0,0,0|2,0,1]=4 3774 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,1,0,0,0,0|2,0,1]=4 3775 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,1,0,0,0,0|1,0,2]=4 3776 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,1,0,0,0,0|1,0,2]=4 3777 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,1,0,0,0,0|1,0,2]=4 3778 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,1,0,0,0,0|1,0,2]=4 3779 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,0,0,0,0|0,0,2]=3 3780 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,1,0,0,0,0|1,0,2]=4 3781 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,1,0,0,0,0|1,0,2]=4 3782 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,1,0,0,0,0|1,0,2]=4 3783 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,1,0,0,0,0|1,0,2]=4 3784 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,1,0,0,0,0|1,0,2]=4 3785 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,1,0,0,0,0|1,0,2]=4 3786 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,1,0,0,0,0|1,0,2]=4 3787 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,1,0,0,0,0|1,0,2]=4 3788 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,1,0,0,0,0|1,0,2]=4 3789 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,1,0,0,0,0|1,0,2]=4 3790 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,1,0,0,0,0|1,0,2]=4 3791 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,1,0,0,0,0|1,0,2]=4 3792 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,1,0,0,0,0|1,0,2]=4 3793 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,1,0,0,0,0|1,0,2]=4 3794 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,1,0,0,0,0|1,0,2]=4 3795 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,1,0,0,0,0|1,0,2]=4 3796 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,1,0,0,0,0|1,0,2]=4 3797 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,1,0,0,0,0|1,0,2]=4 3798 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,1,0,0,0,0|1,0,2]=4 3799 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,1,0,0,0,0|1,0,2]=4 3800 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,1,0,0,0,0|1,0,2]=4 3801 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,1,0,0,0,0|1,0,2]=4 3802 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,1,0,0,0,0|1,0,2]=4 3803 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,1,0,0,0,0|1,0,2]=4 3804 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,1,0,0,0,0|1,0,2]=4 3805 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,1,0,0,0,0|1,0,2]=4 3806 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,1,0,0,0,0|1,0,2]=4 3807 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,1,0,0,0,0|1,0,2]=4 3808 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,1,0,0,0,0|1,0,2]=4 3809 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,1,0,0,0,0|1,0,2]=4 3810 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,1,0,0,0,0|1,0,2]=4 3811 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,1,0,0,0,0|1,0,2]=4 3812 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,1,0,0,0,0|1,0,2]=4 3813 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,1,0,0,0,0|1,0,2]=4 3814 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,1,0,0,0,0|2,0,1]=4 3815 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|2,0,0]=3 3816 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|2,0,0]=3 3817 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|2,0,0]=3 3818 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|2,0,0]=3 3819 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,1,0,0,0,0|3,0,0]=4 3820 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,1,0,0,0,0|3,0,0]=4 3821 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,1,0,0,0,0|3,0,0]=4 3822 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,1,0,0,0,0|3,0,0]=4 3823 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,1,0,0,0,0|3,0,0]=4 3824 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,1,0,0,0,0|3,0,0]=4 3825 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,1,0,0,0,0|3,0,0]=4 3826 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,1,0,0,0,0|3,0,0]=4 3827 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,1,0,0,0,0|3,0,0]=4 3828 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,1,0,0,0,0|3,0,0]=4 3829 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,1,0,0,0,0|3,0,0]=4 3830 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,1,0,0,0,0|3,0,0]=4 3831 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,1,0,0,0,0|3,0,0]=4 3832 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,1,0,0,0,0|3,0,0]=4 3833 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,1,0,0,0,0|3,0,0]=4 3834 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,1,0,0,0,0|1,0,2]=4 3835 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,1,0,0,0,0|1,0,2]=4 3836 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,1,0,0,0,0|1,0,2]=4 3837 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 3838 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 3839 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 3840 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,1,0,0,0,0|1,0,2]=4 3841 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,1,0,0,0,0|1,0,2]=4 3842 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,1,0,0,0,0|1,0,2]=4 3843 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,1,0,0,0,0|1,0,2]=4 3844 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,1,0,0,0,0|1,0,2]=4 3845 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,1,0,0,0,0|1,0,2]=4 3846 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,1,0,0,0,0|1,0,2]=4 3847 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,1,0,0,0,0|1,0,2]=4 3848 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,0]=2 3849 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,0]=2 3850 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|1,0,0]=2 3851 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,0]=1 3852 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|1,0,0]=2 3853 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|1,0,0]=2 3854 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|1,0,0]=2 3855 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|1,0,0]=2 3856 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,1,0,0,0,0|2,0,1]=4 3857 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,1,0,0,0,0|2,0,1]=4 3858 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,1,0,0,0,0|2,0,1]=4 3859 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,1,0,0,0,0|2,0,1]=4 3860 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,0,0,0,0|1,0,1]=3 3861 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,0,0,0,0|1,0,1]=3 3862 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,0,0,0,0|1,0,1]=3 3863 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,0,0,0,0|1,0,1]=3 3864 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,0,0,0,0|1,0,1]=3 3865 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,1,0,0,0,0|1,1,1]=4 3866 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,1,0,0,0,0|1,1,1]=4 3867 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,1,0,0,0,0|1,1,1]=4 3868 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,1,0,0,0,0|1,1,1]=4 3869 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|3,0,0]=4 3870 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|3,0,0]=4 3871 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|3,0,0]=4 3872 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|3,0,0]=4 3873 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|3,0,0]=4 3874 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|3,0,0]=4 3875 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,1,0,0,0,0|3,0,0]=4 3876 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|3,0,0]=4 3877 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|3,0,0]=4 3878 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|2,0,0]=3 3879 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|2,0,0]=3 3880 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|2,0,0]=3 3881 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|2,0,0]=3 3882 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,0]=2 3883 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,0]=2 3884 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,0,0,0,0|2,0,0]=3 3885 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,0,0,0,0|2,0,0]=3 3886 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,0,0,0,0|2,0,0]=3 3887 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,0,0,0,0|2,0,0]=3 3888 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,0,0,0,0|2,0,0]=3 3889 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,0,0,0,0|2,0,0]=3 3890 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|2,0,1]=4 3891 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|2,0,1]=4 3892 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|2,0,1]=4 3893 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|2,0,1]=4 3894 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|2,0,1]=4 3895 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,1,0,0,0,0|2,0,1]=4 3896 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,1,0,0,0,0|2,0,1]=4 3897 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|2,0,1]=4 3898 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|2,0,1]=4 3899 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,1,0,0,0,0|2,0,0]=3 3900 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,1,0,0,0,0|2,0,0]=3 3901 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,1,0,0,0,0|1,0,0]=2 3902 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,1]=4 3903 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,0,0,0,0|2,0,1]=4 3904 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,0,0,0,0|2,0,1]=4 3905 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|1,0,2]=4 3906 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|2,0,1]=4 3907 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,1,0,0,0,0|2,0,1]=4 3908 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,1]=4 3909 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,0,0,0,0|2,0,1]=4 3910 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|1,0,2]=4 3911 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|1,0,2]=4 3912 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,1,0,0,0,0|3,0,0]=4 3913 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,1,0,0,0,0|3,0,0]=4 3914 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,1,0,0,0,0|2,0,0]=3 3915 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,1,0,0,0,0|3,0,0]=4 3916 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,1,0,0,0,0|3,0,0]=4 3917 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,1,0,0,0,0|3,0,0]=4 3918 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|2,0,0]=3 3919 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|2,0,0]=3 3920 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,1,0,0,0,0|2,0,0]=3 3921 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,1,0,0,0,0|2,0,0]=3 3922 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,1,0,0,0,0|2,0,0]=3 3923 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,1,0,0,0,0|1,0,0]=2 3924 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,1,0,0,0,0|1,0,0]=2 3925 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,1,0,0,0,0|2,0,1]=4 3926 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,1,0,0,0,0|2,0,1]=4 3927 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,1,0,0,0,0|2,0,1]=4 3928 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|1,0,2]=4 3929 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|1,0,2]=4 3930 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|2,0,1]=4 3931 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|2,0,1]=4 3932 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,1,0,0,0,0|2,0,1]=4 3933 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,1,0,0,0,0|2,0,1]=4 3934 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|1,0,2]=4 3935 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|1,0,2]=4 3936 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|2,0,0]=3 3937 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|2,0,0]=3 3938 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,1,0,0,0,0|2,0,0]=3 3939 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,1,0,0,0,0|2,0,0]=3 3940 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,1,0,0,0,0|1,0,0]=2 3941 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,1,0,0,0,0|1,0,0]=2 3942 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,1,0,0,0,0|2,0,1]=4 3943 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,1,0,0,0,0|2,0,1]=4 3944 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|1,0,2]=4 3945 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|1,0,2]=4 3946 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|2,0,1]=4 3947 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|2,0,1]=4 3948 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,1,0,0,0,0|2,0,1]=4 3949 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,1,0,0,0,0|2,0,1]=4 3950 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|1,0,2]=4 3951 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|1,0,2]=4 3952 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,1,0,0,0,0|2,0,0]=3 3953 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,1,0,0,0,0|2,0,0]=3 3954 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,1,0,0,0,0|2,0,0]=3 3955 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,1,0,0,0,0|2,0,0]=3 3956 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,0,0,0,0|1,0,0]=2 3957 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,0,0,0,0|1,0,0]=2 3958 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|2,0,1]=4 3959 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|2,0,1]=4 3960 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,1,0,0,0,0|2,0,1]=4 3961 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,1,0,0,0,0|2,0,0]=3 3962 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|2,0,0]=3 3963 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|1,0,0]=2 3964 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,1,0,0,0,0|2,0,0]=3 3965 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,1,0,0,0,0|2,0,0]=3 3966 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,1,0,0,0,0|2,0,0]=3 3967 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,0,0,0,0|1,0,0]=2 3968 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,0,0,0,0|1,0,0]=2 3969 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,1,0,0,0,0|2,0,1]=4 3970 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,1,0,0,0,0|2,0,0]=3 3971 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,1,0,0,0,0|2,0,0]=3 3972 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,0,0,0,0|1,0,0]=2 3973 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,0,0,0,0|1,0,0]=2 3974 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,1,0,0,0,0|2,0,0]=3 3975 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,0,0,0,0|2,0,0]=3 3976 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,0,0,0,0|2,0,0]=3 3977 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,1,0,0,0,0|3,0,0]=4 3978 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,1,0,0,0,0|3,0,0]=4 3979 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,1,0,0,0,0|2,0,1]=4 3980 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,1,0,0,0,0|1,0,2]=4 3981 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,0,0,0,0|2,0,0]=3 3982 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,1,0,0,0,0|2,0,0]=3 3983 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,0,0,0,0|1,0,0]=2 3984 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,1,0,0,0,0|3,0,0]=4 3985 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,1,0,0,0,0|3,0,0]=4 3986 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,1,0,0,0,0|3,0,0]=4 3987 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,1,0,0,0,0|3,0,0]=4 3988 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,1,0,0,0,0|3,0,0]=4 3989 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,0,0,0,0|2,0,0]=3 3990 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,0,0,0,0|2,0,0]=3 3991 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,1,0,0,0,0|3,0,0]=4 3992 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,1,0,0,0,0|3,0,0]=4 3993 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,1,0,0,0,0|3,0,0]=4 3994 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,1,0,0,0,0|3,0,0]=4 3995 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,1,0,0,0,0|3,0,0]=4 3996 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,1,0,0,0,0|3,0,0]=4 3997 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,1,0,0,0,0|2,0,0]=3 3998 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,1,0,0,0,0|3,0,0]=4 3999 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,1,0,0,0,0|3,0,0]=4 4000 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,1,0,0,0,0|2,0,0]=3 4001 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,1,0,0,0,0|1,0,2]=4 4002 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,1,0,0,0,0|1,0,2]=4 4003 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,0,0,0,0|2,0,0]=3 4004 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,0,0,0,0|2,0,0]=3 4005 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,0,0,0,0|1,0,0]=2 4006 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,0,0,0,0|1,0,0]=2 4007 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,1,0,0,0,0|3,0,0]=4 4008 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,1,0,0,0,0|3,0,0]=4 4009 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,1,0,0,0,0|3,0,0]=4 4010 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,0,0,0,0|2,0,0]=3 4011 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,0,0,0,0|2,0,0]=3 4012 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,1,0,0,0,0|3,0,0]=4 4013 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,1,0,0,0,0|3,0,0]=4 4014 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,1,0,0,0,0|3,0,0]=4 4015 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,1,0,0,0,0|3,0,0]=4 4016 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,1,0,0,0,0|3,0,0]=4 4017 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,1,0,0,0,0|3,0,0]=4 4018 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,1,0,0,0,0|3,0,0]=4 4019 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,1,0,0,0,0|3,0,0]=4 4020 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,1,0,0,0,0|1,0,0]=2 4021 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,1,0,0,0,0|2,0,0]=3 4022 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,1,0,0,0,0|2,0,1]=4 4023 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,1,0,0,0,0|1,0,0]=2 4024 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,1,0,0,0,0|1,0,0]=2 4025 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,1,0,0,0,0|1,0,0]=2 4026 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,1,0,0,0,0|3,0,0]=4 4027 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,1,0,0,0,0|3,0,0]=4 4028 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,1,0,0,0,0|3,0,0]=4 4029 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,1,0,0,0,0|3,0,0]=4 4030 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,1,0,0,0,0|2,0,0]=3 4031 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,1,0,0,0,0|2,0,0]=3 4032 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,1,0,0,0,0|3,0,0]=4 4033 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,1,0,0,0,0|3,0,0]=4 4034 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,1,0,0,0,0|3,0,0]=4 4035 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,1,0,0,0,0|3,0,0]=4 4036 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,1,0,0,0,0|3,0,0]=4 4037 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,1,0,0,0,0|3,0,0]=4 4038 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,1,0,0,0,0|3,0,0]=4 4039 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,1,0,0,0,0|3,0,0]=4 4040 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,1,0,0,0,0|3,0,0]=4 4041 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,1,0,0,0,0|2,0,0]=3 4042 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,1,0,0,0,0|2,0,0]=3 4043 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,1,0,0,0,0|3,0,0]=4 4044 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,1,0,0,0,0|3,0,0]=4 4045 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,1,0,0,0,0|3,0,0]=4 4046 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,1,0,0,0,0|3,0,0]=4 4047 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,1,0,0,0,0|3,0,0]=4 4048 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,1,0,0,0,0|3,0,0]=4 4049 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,1,0,0,0,0|2,0,0]=3 4050 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,1,0,0,0,0|2,0,0]=3 4051 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,1,0,0,0,0|2,0,0]=3 4052 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,1,0,0,0,0|3,0,0]=4 4053 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,1,0,0,0,0|3,0,0]=4 4054 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,1,0,0,0,0|3,0,0]=4 4055 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,1,0,0,0,0|3,0,0]=4 4056 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,1,0,0,0,0|2,0,0]=3 4057 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,1,0,0,0,0|2,0,0]=3 4058 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,1,0,0,0,0|3,0,0]=4 4059 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,1,0,0,0,0|3,0,0]=4 4060 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,1,0,0,0,0|2,0,0]=3 4061 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,1,0,0,0,0|2,0,0]=3 4062 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,1,0,0,0,0|3,0,0]=4 4063 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,1,0,0,0,0|1,0,0]=2 4064 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,1,0,0,0,0|1,0,0]=2 4065 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,1,0,0,0,0|3,0,0]=4 4066 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,1,0,0,0,0|3,0,0]=4 4067 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,1,0,0,0,0|2,0,0]=3 4068 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,1,0,0,0,0|3,0,0]=4 4069 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,1,0,0,0,0|3,0,0]=4 4070 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,1,0,0,0,0|3,0,0]=4 4071 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,1,0,0,0,0|3,0,0]=4 4072 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,1,0,0,0,0|3,0,0]=4 4073 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,1,0,0,0,0|2,0,0]=3 4074 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,1,0,0,0,0|2,0,0]=3 4075 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,1,0,0,0,0|2,0,0]=3 4076 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,1,0,0,0,0|2,0,0]=3 4077 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,1,0,0,0,0|3,0,0]=4 4078 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,1,0,0,0,0|3,0,0]=4 4079 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,1,0,0,0,0|3,0,0]=4 4080 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,1,0,0,0,0|3,0,0]=4 4081 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,1,0,0,0,0|2,0,0]=3 4082 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,1,0,0,0,0|2,0,0]=3 4083 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,0,0,0,0|2,0,0]=3 4084 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,1,0,0,0,0|2,0,0]=3 4085 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,1,0,0,0,0|2,0,0]=3 4086 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,1,0,0,0,0|2,0,0]=3 4087 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,1,0,0,0,0|2,0,0]=3 4088 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,1,0,0,0,0|3,0,0]=4 4089 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,1,0,0,0,0|3,0,0]=4 4090 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,1,0,0,0,0|3,0,0]=4 4091 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,1,0,0,0,0|3,0,0]=4 4092 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,1,0,0,0,0|3,0,0]=4 4093 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,1,0,0,0,0|3,0,0]=4 4094 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,1,0,0,0,0|3,0,0]=4 4095 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,1,0,0,0,0|3,0,0]=4 4096 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,1,0,0,0,0|3,0,0]=4 4097 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,1,0,0,0,0|3,0,0]=4 4098 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,1,0,0,0,0|3,0,0]=4 4099 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,1,0,0,0,0|3,0,0]=4 4100 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,1,0,0,0,0|3,0,0]=4 4101 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,1,0,0,0,0|3,0,0]=4 4102 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,1,0,0,0,0|3,0,0]=4 4103 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,1,0,0,0,0|3,0,0]=4 4104 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,1,0,0,0,0|3,0,0]=4 4105 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,1,0,0,0,0|3,0,0]=4 4106 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,1,0,0,0,0|3,0,0]=4 4107 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,1,0,0,0,0|3,0,0]=4 4108 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,1,0,0,0,0|3,0,0]=4 4109 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,1,0,0,0,0|3,0,0]=4 4110 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,1,0,0,0,0|3,0,0]=4 4111 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,1,0,0,0,0|3,0,0]=4 4112 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,1,0,0,0,0|3,0,0]=4 4113 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,1,0,0,0,0|3,0,0]=4 4114 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,1,0,0,0,0|3,0,0]=4 4115 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,1,0,0,0,0|3,0,0]=4 4116 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,1,0,0,0,0|3,0,0]=4 4117 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,1,0,0,0,0|3,0,0]=4 4118 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,1,0,0,0,0|3,0,0]=4 4119 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,1,0,0,0,0|3,0,0]=4 4120 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,1,0,0,0,0|3,0,0]=4 4121 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,1,0,0,0,0|3,0,0]=4 4122 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,1,0,0,0,0|3,0,0]=4 4123 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,1,0,0,0,0|3,0,0]=4 4124 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,1,0,0,0,0|3,0,0]=4 4125 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,1,0,0,0,0|3,0,0]=4 4126 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,1,0,0,0,0|3,0,0]=4 4127 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,1,0,0,0,0|3,0,0]=4 4128 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,1,0,0,0,0|3,0,0]=4 4129 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,1,0,0,0,0|3,0,0]=4 4130 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,1,0,0,0,0|3,0,0]=4 4131 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,1,0,0,0,0|3,0,0]=4 4132 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,1,0,0,0,0|3,0,0]=4 4133 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,1,0,0,0,0|3,0,0]=4 4134 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,1,0,0,0,0|3,0,0]=4 4135 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,1,0,0,0,0|3,0,0]=4 4136 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,1,0,0,0,0|3,0,0]=4 4137 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,1,0,0,0,0|3,0,0]=4 4138 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,1,0,0,0,0|3,0,0]=4 4139 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,1,0,0,0,0|3,0,0]=4 4140 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,1,0,0,0,0|3,0,0]=4 4141 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,1,0,0,0,0|3,0,0]=4 4142 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,1,0,0,0,0|3,0,0]=4 4143 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,1,0,0,0,0|3,0,0]=4 4144 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,1,0,0,0,0|3,0,0]=4 4145 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,1,0,0,0,0|3,0,0]=4 4146 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,1,0,0,0,0|3,0,0]=4 4147 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,1,0,0,0,0|3,0,0]=4 4148 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,1,0,0,0,0|3,0,0]=4 4149 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,1,0,0,0,0|3,0,0]=4 4150 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,1,0,0,0,0|3,0,0]=4 4151 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,1,0,0,0,0|3,0,0]=4 4152 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,1,0,0,0,0|3,0,0]=4 4153 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,1,0,0,0,0|3,0,0]=4 4154 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,1,0,0,0,0|3,0,0]=4 4155 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,1,0,0,0,0|3,0,0]=4 4156 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,1,0,0,0,0|3,0,0]=4 4157 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,1,0,0,0,0|3,0,0]=4 4158 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,1,0,0,0,0|3,0,0]=4 4159 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,1,0,0,0,0|3,0,0]=4 4160 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,1,0,0,0,0|3,0,0]=4 4161 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,1,0,0,0,0|3,0,0]=4 4162 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,1,0,0,0,0|3,0,0]=4 4163 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,1,0,0,0,0|3,0,0]=4 4164 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,1,0,0,0,0|3,0,0]=4 4165 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,1,0,0,0,0|3,0,0]=4 4166 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,1,0,0,0,0|3,0,0]=4 4167 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,1,0,0,0,0|3,0,0]=4 4168 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,1,0,0,0,0|3,0,0]=4 4169 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,1,0,0,0,0|3,0,0]=4 4170 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,1,0,0,0,0|3,0,0]=4 4171 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,1,0,0,0,0|3,0,0]=4 4172 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,1,0,0,0,0|3,0,0]=4 4173 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,1,0,0,0,0|3,0,0]=4 4174 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,1,0,0,0,0|1,0,0]=2 4175 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,1,0,0,0,0|1,0,0]=2 4176 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,1,0,0,0,0|1,0,0]=2 4177 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,1,0,0,0,0|3,0,0]=4 4178 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,1,0,0,0,0|2,0,0]=3 4179 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,1,0,0,0,0|1,0,0]=2 4180 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,1,0,0,0,0|1,0,0]=2 4181 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,1,0,0,0,0|1,0,0]=2 4182 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,1,0,0,0,0|1,0,0]=2 4183 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,1,0,0,0,0|1,0,0]=2 4184 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,1,0,0,0,0|1,0,0]=2 4185 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,1,0,0,0,0|2,0,0]=3 4186 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,1,0,0,0,0|2,0,0]=3 4187 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,1,0,0,0,0|2,0,0]=3 4188 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,1,0,0,0,0|2,0,0]=3 4189 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,1,0,0,0,0|2,0,0]=3 4190 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,1,0,0,0,0|2,0,0]=3 4191 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,1,0,0,0,0|2,0,0]=3 4192 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,1,0,0,0,0|2,0,0]=3 4193 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,1,0,0,0,0|2,0,0]=3 4194 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,1,0,0,0,0|2,0,1]=4 4195 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,1,0,0,0,0|2,0,1]=4 4196 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,1,0,0,0,0|2,0,1]=4 4197 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,1,0,0,0,0|2,0,1]=4 4198 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,1,0,0,0,0|2,0,0]=3 4199 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,1,0,0,0,0|2,0,0]=3 4200 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,1,0,0,0,0|2,0,0]=3 4201 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,1,0,0,0,0|2,0,0]=3 4202 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,1,0,0,0,0|2,0,0]=3 4203 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,1,0,0,0,0|2,0,0]=3 4204 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,1,0,0,0,0|2,0,0]=3 4205 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,1,0,0,0,0|2,0,0]=3 4206 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,1,0,0,0,0|2,0,0]=3 4207 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,1,0,0,0,0|2,0,0]=3 4208 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,1,0,0,0,0|2,0,0]=3 4209 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,1,0,0,0,0|2,0,0]=3 4210 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,1,0,0,0,0|2,0,0]=3 4211 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,1,0,0,0,0|3,0,0]=4 4212 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,1,0,0,0,0|2,0,0]=3 4213 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,1,0,0,0,0|2,0,0]=3 4214 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,1,0,0,0,0|2,0,1]=4 4215 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,1,0,0,0,0|2,0,1]=4 4216 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,1,0,0,0,0|2,0,0]=3 4217 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,1,0,0,0,0|2,0,0]=3 4218 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,1,0,0,0,0|2,0,0]=3 4219 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,1,0,0,0,0|2,0,0]=3 4220 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,1,0,0,0,0|2,0,0]=3 4221 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,1,0,0,0,0|2,0,0]=3 4222 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,0,0,0,0|2,0,0]=3 4223 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,0]=3 4224 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,1,0,0,0,0|2,0,0]=3 4225 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,1,0,0,0,0|2,0,0]=3 4226 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,1,0,0,0,0|2,0,0]=3 4227 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,1,0,0,0,0|2,0,0]=3 4228 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,1,0,0,0,0|2,0,0]=3 4229 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,1,0,0,0,0|2,0,0]=3 4230 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,1,0,0,0,0|2,0,0]=3 4231 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,0]=3 4232 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,1,0,0,0,0|2,0,0]=3 4233 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,1,0,0,0,0|2,0,0]=3 4234 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,1,0,0,0,0|3,0,0]=4 4235 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,1,0,0,0,0|3,0,0]=4 4236 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,1,0,0,0,0|2,0,1]=4 4237 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,1,0,0,0,0|2,0,1]=4 4238 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,1,0,0,0,0|2,0,1]=4 4239 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,1,0,0,0,0|2,0,1]=4 4240 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,1,0,0,0,0|2,0,0]=3 4241 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,1,0,0,0,0|2,0,0]=3 4242 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,0,0,0,0|2,0,0]=3 4243 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,0,0,0,0|2,0,0]=3 4244 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,1,0,0,0,0|3,0,0]=4 4245 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,1,0,0,0,0|3,0,0]=4 4246 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,1,0,0,0,0|3,0,0]=4 4247 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,1,0,0,0,0|3,0,0]=4 4248 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,1,0,0,0,0|3,0,0]=4 4249 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,1,0,0,0,0|3,0,0]=4 4250 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,1,0,0,0,0|3,0,0]=4 4251 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,1,0,0,0,0|3,0,0]=4 4252 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,1,0,0,0,0|3,0,0]=4 4253 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,1,0,0,0,0|2,0,0]=3 4254 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,1,0,0,0,0|1,0,0]=2 4255 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,1,0,0,0,0|1,0,0]=2 4256 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,1,0,0,0,0|1,0,0]=2 4257 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,1,0,0,0,0|2,0,0]=3 4258 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,1,0,0,0,0|3,0,0]=4 4259 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,1,0,0,0,0|2,0,0]=3 4260 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,1,0,0,0,0|2,0,0]=3 4261 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,1,0,0,0,0|2,0,0]=3 4262 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,1,0,0,0,0|2,0,0]=3 4263 B10R0.74 COCCOCCC(=NO)N 34a_100000749954_100011201679 [0,1,0,0,0,0|3,0,0]=4 4264 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,1,0,0,0,0|3,0,0]=4 4265 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,1,0,0,0,0|2,0,0]=3 4266 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,1,0,0,0,0|2,0,0]=3 4267 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,1,0,0,0,0|2,0,0]=3 4268 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,1,0,0,0,0|2,0,0]=3 4269 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,1,0,0,0,0|3,0,0]=4 4270 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,1,0,0,0,0|2,0,0]=3 4271 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,1,0,0,0,0|2,0,0]=3 4272 B10R0.74 CSCCOCCC(=NO)N 34a_100000749954_100000212216 [0,1,0,0,0,0|3,0,0]=4 4273 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,1,0,0,0,0|3,0,0]=4 4274 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,1,0,0,0,0|1,0,1]=3 4275 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,1,0,0,0,0|2,0,1]=4 4276 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,1,0,0,0,0|2,0,1]=4 4277 B10R0.74 NC(=NO)CCOCCCF 34a_100000749954_100011934791 [0,1,0,0,0,0|3,0,0]=4 4278 B10R0.74 NC(=NO)CCOCCCO 34a_100000749954_100000230001 [0,1,0,0,0,0|3,0,0]=4 4279 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,1,0,0,0,0|3,0,0]=4 4280 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,1,0,0,0,0|3,0,0]=4 4281 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,0,0,0,0|2,0,0]=3 4282 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,0,0,0,0|1,0,0]=2 4283 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|1,0,0]=2 4284 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,0,0,0,0|2,0,0]=3 4285 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,1,0,0,0,0|3,0,0]=4 4286 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,1,0,0,0,0|3,0,0]=4 4287 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,1,0,0,0,0|3,0,0]=4 4288 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,1,0,0,0,0|1,0,2]=4 4289 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,1,0,0,0,0|1,0,2]=4 4290 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,1,0,0,0,0|1,0,2]=4 4291 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,1,0,0,0,0|1,0,2]=4 4292 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [0,1,0,0,0,0|1,0,2]=4 4293 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,1,0,0,0,0|2,0,1]=4 4294 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,1,0,0,0,0|3,0,0]=4 4295 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,1,0,0,0,0|1,0,2]=4 4296 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,1,0,0,0,0|1,0,2]=4 4297 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,1,0,0,0,0|1,0,2]=4 4298 B10R0.75 CC#CCNCC(C)C(=O)O 269956a_100000749485_100000748600 [0,1,0,0,0,0|1,0,2]=4 4299 B10R0.75 CC#CCNCC(F)C(=O)O 269956a_100000084737_100000748600 [0,1,0,0,0,0|1,0,2]=4 4300 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,1,0,0,0,0|3,0,0]=4 4301 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,1,0,0,0,0|3,0,0]=4 4302 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,1,0,0,0,0|3,0,0]=4 4303 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,1,0,0,0,0|3,0,0]=4 4304 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,1,0,0,0,0|3,0,0]=4 4305 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,1,0,0,0,0|3,0,0]=4 4306 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,1,0,0,0,0|3,0,0]=4 4307 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,1,0,0,0,0|3,0,0]=4 4308 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,1,0,0,0,0|3,0,0]=4 4309 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,1,0,0,0,0|3,0,0]=4 4310 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,1,0,0,0,0|3,0,0]=4 4311 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,1,0,0,0,0|3,0,0]=4 4312 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,1,0,0,0,0|3,0,0]=4 4313 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,1,0,0,0,0|3,0,0]=4 4314 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,1,0,0,0,0|2,0,1]=4 4315 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,1,0,0,0,0|2,0,0]=3 4316 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,0,0,0,0|2,0,0]=3 4317 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,1,0,0,0,0|3,0,0]=4 4318 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|3,0,0]=4 4319 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,1,0,0,0,0|3,0,0]=4 4320 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 4321 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 4322 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,1,0,0,0,0|3,0,0]=4 4323 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,1,0,0,0,0|3,0,0]=4 4324 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,1,0,0,0,0|3,0,0]=4 4325 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,1,0,0,0,0|3,0,0]=4 4326 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,1,0,0,0,0|3,0,0]=4 4327 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,1,0,0,0,0|3,0,0]=4 4328 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,1,0,0,0,0|3,0,0]=4 4329 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,1,0,0,0,0|3,0,0]=4 4330 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [0,1,0,0,0,0|1,0,2]=4 4331 B10R0.75 CCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009813939 [0,1,0,0,0,0|1,0,2]=4 4332 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,1,0,0,0,0|0,0,3]=4 4333 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,1,0,0,0,0|1,0,2]=4 4334 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,1,0,0,0,0|1,0,2]=4 4335 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|1,0,0]=2 4336 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,1,0,0,0,0|3,0,0]=4 4337 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,1,0,0,0,0|3,0,0]=4 4338 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,1,0,0,0,0|3,0,0]=4 4339 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|1,0,0]=2 4340 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|1,0,0]=2 4341 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,0,0,0,0|2,0,0]=3 4342 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,0,0,0,0|2,0,0]=3 4343 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,0,0,0,0|2,0,0]=3 4344 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,0,0,0,0|2,0,0]=3 4345 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,1,0,0,0,0|2,0,1]=4 4346 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,0,0,0,0|2,0,0]=3 4347 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,1,0,0,0,0|2,0,0]=3 4348 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,1,0,0,0,0|2,0,0]=3 4349 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|1,0,0]=2 4350 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,1,0,0,0,0|2,0,0]=3 4351 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,1,0,0,0,0|2,0,0]=3 4352 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,0,0,0,0|2,0,0]=3 4353 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,0,0,0,0|2,0,0]=3 4354 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,1,0,0,0,0|2,0,0]=3 4355 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,1,0,0,0,0|2,0,0]=3 4356 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,1,0,0,0,0|2,0,0]=3 4357 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,1,0,0,0,0|2,0,0]=3 4358 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,1,0,0,0,0|1,0,1]=3 4359 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,1,0,0,0,0|1,0,1]=3 4360 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,1,0,0,0,0|2,0,0]=3 4361 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,1,0,0,0,0|2,0,0]=3 4362 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,0,0,0,0|2,0,0]=3 4363 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,0,0,0,0|2,0,0]=3 4364 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,1,0,0,0,0|2,0,0]=3 4365 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,1,0,0,0,0|2,0,0]=3 4366 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,1,0,0,0,0|2,0,0]=3 4367 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,1,0,0,0,0|2,0,0]=3 4368 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,1,0,0,0,0|1,0,1]=3 4369 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,1,0,0,0,0|1,0,1]=3 4370 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|1,0,0]=2 4371 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|1,0,0]=2 4372 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,1,0,0,0,0|2,0,1]=4 4373 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,0,0,0,0|2,0,0]=3 4374 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,0,0,0,0|2,0,0]=3 4375 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210210 [0,1,0,0,0,0|2,0,1]=4 4376 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210211 [0,1,0,0,0,0|2,0,1]=4 4377 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,1,0,0,0,0|2,0,0]=3 4378 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,1,0,0,0,0|2,0,1]=4 4379 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,1,0,0,0,0|2,0,1]=4 4380 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,1,0,0,0,0|3,0,0]=4 4381 B10R0.75 CCOCCNC(C)C(=O)N 2230a_102516460346_100000702099 [0,1,0,0,0,0|3,0,0]=4 4382 B10R0.75 CCOCCNC(C)C(=O)N 34a_102516460346_100000702099 [0,1,0,0,0,0|3,0,0]=4 4383 B10R0.75 CCOCCNC(F)C(=O)N 2230a_102516460346_100009813875 [0,1,0,0,0,0|3,0,0]=4 4384 B10R0.75 CCOCCNC(F)C(=O)N 34a_102516460346_100009813875 [0,1,0,0,0,0|3,0,0]=4 4385 B10R0.75 CCOCCNC(F)C(=O)[O-] 34a_102516460346_100020610796 [0,1,0,0,0,0|2,0,1]=4 4386 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,1,0,0,0,0|2,0,0]=3 4387 B10R0.75 CCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215890 [0,1,0,0,0,0|3,0,0]=4 4388 B10R0.75 CCOCCN[C@H](C)C(=O)N 34a_100000119354_100000210147 [0,1,0,0,0,0|3,0,0]=4 4389 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,1,0,0,0,0|3,0,0]=4 4390 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,1,0,0,0,0|3,0,0]=4 4391 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,1,0,0,0,0|3,0,0]=4 4392 B10R0.75 CCOCCOC(C)C(=O)N 34a_100000210136_100000702099 [0,1,0,0,0,0|3,0,0]=4 4393 B10R0.75 CCOCCOC(C)C(=O)N 7a_100000210136_100000702099 [0,1,0,0,0,0|3,0,0]=4 4394 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,1,0,0,0,0|3,0,0]=4 4395 B10R0.75 CCOCCOC(F)C(=O)N 34a_100000210136_100009813875 [0,1,0,0,0,0|3,0,0]=4 4396 B10R0.75 CCOCCOC(F)C(=O)N 7a_100000210136_100009813875 [0,1,0,0,0,0|3,0,0]=4 4397 B10R0.75 CCOCCOC(F)C(=O)[O-] 34a_100000210136_100020610796 [0,1,0,0,0,0|2,0,1]=4 4398 B10R0.75 CCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215890 [0,1,0,0,0,0|2,0,1]=4 4399 B10R0.75 CCOCCO[C@H](C)C(=O)N 34a_100000731257_100000210147 [0,1,0,0,0,0|3,0,0]=4 4400 B10R0.75 CCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215890 [0,1,0,0,0,0|3,0,0]=4 4401 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,1,0,0,0,0|3,0,0]=4 4402 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,1,0,0,0,0|3,0,0]=4 4403 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000210147_100000702099 [0,1,0,0,0,0|3,0,0]=4 4404 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000702099_100011215890 [0,1,0,0,0,0|3,0,0]=4 4405 B10R0.75 CCOCCSC(F)C(=O)N 62a_100000210147_100009813875 [0,1,0,0,0,0|3,0,0]=4 4406 B10R0.75 CCOCCSC(F)C(=O)N 62a_100009813875_100011215890 [0,1,0,0,0,0|3,0,0]=4 4407 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100000210147_100020610796 [0,1,0,0,0,0|2,0,1]=4 4408 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215890 [0,1,0,0,0,0|2,0,1]=4 4409 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,1,0,0,0,0|2,0,0]=3 4410 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,1,0,0,0,0|2,0,0]=3 4411 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,1,0,0,0,0|3,0,0]=4 4412 B10R0.75 CCSCCNC(C)C(=O)N 2230a_100000106463_100000702099 [0,1,0,0,0,0|3,0,0]=4 4413 B10R0.75 CCSCCNC(F)C(=O)N 2230a_100000106463_100009813875 [0,1,0,0,0,0|3,0,0]=4 4414 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,1,0,0,0,0|2,0,0]=3 4415 B10R0.75 CCSCCN[C@H](C)C(=O)N 2230a_100000119354_100000757381 [0,1,0,0,0,0|3,0,0]=4 4416 B10R0.75 CCSCCN[C@H](C)C(=O)N 34a_100000119354_100000757381 [0,1,0,0,0,0|3,0,0]=4 4417 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,1,0,0,0,0|3,0,0]=4 4418 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,1,0,0,0,0|3,0,0]=4 4419 B10R0.75 CCSCCOC(C)C(=O)N 34a_100000212035_100000702099 [0,1,0,0,0,0|3,0,0]=4 4420 B10R0.75 CCSCCOC(C)C(=O)N 7a_100000212035_100000702099 [0,1,0,0,0,0|3,0,0]=4 4421 B10R0.75 CCSCCOC(F)C(=O)N 34a_100000212035_100009813875 [0,1,0,0,0,0|3,0,0]=4 4422 B10R0.75 CCSCCOC(F)C(=O)N 7a_100000212035_100009813875 [0,1,0,0,0,0|3,0,0]=4 4423 B10R0.75 CCSCCOC(F)C(=O)[O-] 34a_100000212035_100020610796 [0,1,0,0,0,0|2,0,1]=4 4424 B10R0.75 CCSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757381 [0,1,0,0,0,0|2,0,1]=4 4425 B10R0.75 CCSCCO[C@H](C)C(=O)N 34a_100000731257_100000757381 [0,1,0,0,0,0|3,0,0]=4 4426 B10R0.75 CCSCCO[C@H](C)C(=O)N 7a_100000731257_100000757381 [0,1,0,0,0,0|3,0,0]=4 4427 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,1,0,0,0,0|3,0,0]=4 4428 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,1,0,0,0,0|3,0,0]=4 4429 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000702099_100000757381 [0,1,0,0,0,0|3,0,0]=4 4430 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000757381_100000702099 [0,1,0,0,0,0|3,0,0]=4 4431 B10R0.75 CCSCCSC(F)C(=O)N 62a_100000757381_100009813875 [0,1,0,0,0,0|3,0,0]=4 4432 B10R0.75 CCSCCSC(F)C(=O)N 62a_100009813875_100000757381 [0,1,0,0,0,0|3,0,0]=4 4433 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100000757381_100020610796 [0,1,0,0,0,0|2,0,1]=4 4434 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100020610796_100000757381 [0,1,0,0,0,0|2,0,1]=4 4435 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,1,0,0,0,0|3,0,0]=4 4436 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,1,0,0,0,0|3,0,0]=4 4437 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,1,0,0,0,0|2,0,1]=4 4438 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,1,0,0,0,0|3,0,0]=4 4439 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,1,0,0,0,0|3,0,0]=4 4440 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,1,0,0,0,0|2,0,1]=4 4441 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,0,0,0,0|2,0,0]=3 4442 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,1,0,0,0,0|3,0,0]=4 4443 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,1,0,0,0,0|3,0,0]=4 4444 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,1,0,0,0,0|3,0,0]=4 4445 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,1,0,0,0,0|3,0,0]=4 4446 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,1,0,0,0,0|3,0,0]=4 4447 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,1,0,0,0,0|2,0,1]=4 4448 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,1,0,0,0,0|2,0,1]=4 4449 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,1,0,0,0,0|3,0,0]=4 4450 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,1,0,0,0,0|3,0,0]=4 4451 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,1,0,0,0,0|3,0,0]=4 4452 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,1,0,0,0,0|3,0,0]=4 4453 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,1,0,0,0,0|3,0,0]=4 4454 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,1,0,0,0,0|3,0,0]=4 4455 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,1,0,0,0,0|3,0,0]=4 4456 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,1,0,0,0,0|3,0,0]=4 4457 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,1,0,0,0,0|2,0,1]=4 4458 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,1,0,0,0,0|2,0,1]=4 4459 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,1,0,0,0,0|2,0,0]=3 4460 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,1,0,0,0,0|2,0,0]=3 4461 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,1,0,0,0,0|3,0,0]=4 4462 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,1,0,0,0,0|3,0,0]=4 4463 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,1,0,0,0,0|3,0,0]=4 4464 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,1,0,0,0,0|3,0,0]=4 4465 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,1,0,0,0,0|3,0,0]=4 4466 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,1,0,0,0,0|3,0,0]=4 4467 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,1,0,0,0,0|3,0,0]=4 4468 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,1,0,0,0,0|3,0,0]=4 4469 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,1,0,0,0,0|3,0,0]=4 4470 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,1,0,0,0,0|3,0,0]=4 4471 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,1,0,0,0,0|3,0,0]=4 4472 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,1,0,0,0,0|2,0,1]=4 4473 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,1,0,0,0,0|2,0,0]=3 4474 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,1,0,0,0,0|2,0,0]=3 4475 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,1,0,0,0,0|3,0,0]=4 4476 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,1,0,0,0,0|3,0,0]=4 4477 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,1,0,0,0,0|3,0,0]=4 4478 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,1,0,0,0,0|3,0,0]=4 4479 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,1,0,0,0,0|3,0,0]=4 4480 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,1,0,0,0,0|3,0,0]=4 4481 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,1,0,0,0,0|3,0,0]=4 4482 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,1,0,0,0,0|3,0,0]=4 4483 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,1,0,0,0,0|3,0,0]=4 4484 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,1,0,0,0,0|3,0,0]=4 4485 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,1,0,0,0,0|3,0,0]=4 4486 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,1,0,0,0,0|2,0,1]=4 4487 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,1,0,0,0,0|2,0,1]=4 4488 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,0,0,0,0|2,0,0]=3 4489 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,0,0,0,0|2,0,0]=3 4490 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,1,0,0,0,0|2,0,1]=4 4491 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,1,0,0,0,0|2,0,1]=4 4492 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,1,0,0,0,0|2,0,1]=4 4493 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 4494 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 4495 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,1,0,0,0,0|3,0,0]=4 4496 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 4497 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 4498 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,1,0,0,0,0|3,0,0]=4 4499 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,1,0,0,0,0|3,0,0]=4 4500 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,1,0,0,0,0|3,0,0]=4 4501 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,1,0,0,0,0|3,0,0]=4 4502 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,1,0,0,0,0|3,0,0]=4 4503 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,1,0,0,0,0|3,0,0]=4 4504 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,1,0,0,0,0|3,0,0]=4 4505 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,1,0,0,0,0|3,0,0]=4 4506 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,1,0,0,0,0|3,0,0]=4 4507 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,1,0,0,0,0|3,0,0]=4 4508 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,1,0,0,0,0|2,0,1]=4 4509 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,1,0,0,0,0|2,0,0]=3 4510 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,0,0,0,0|2,0,0]=3 4511 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,1,0,0,0,0|2,0,1]=4 4512 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,1,0,0,0,0|2,0,1]=4 4513 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,1,0,0,0,0|2,0,1]=4 4514 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,1,0,0,0,0|2,0,1]=4 4515 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,1,0,0,0,0|2,0,1]=4 4516 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,1,0,0,0,0|2,0,1]=4 4517 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,1,0,0,0,0|2,0,1]=4 4518 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,1,0,0,0,0|2,0,1]=4 4519 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,1,0,0,0,0|2,0,1]=4 4520 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,1,0,0,0,0|2,0,1]=4 4521 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,1,0,0,0,0|2,0,1]=4 4522 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [0,1,0,0,0,0|3,0,0]=4 4523 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [0,1,0,0,0,0|3,0,0]=4 4524 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [0,1,0,0,0,0|3,0,0]=4 4525 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [0,1,0,0,0,0|3,0,0]=4 4526 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,1,0,0,0,0|3,0,0]=4 4527 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,1,0,0,0,0|3,0,0]=4 4528 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,1,0,0,0,0|3,0,0]=4 4529 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [0,1,0,0,0,0|3,0,0]=4 4530 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [0,1,0,0,0,0|3,0,0]=4 4531 B10R0.78 C=C(F)CNC(C)CCCC 2230a_100000126638_100009893438 [0,1,0,0,0,0|3,0,0]=4 4532 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [0,1,0,0,0,0|3,0,0]=4 4533 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [0,1,0,0,0,0|3,0,0]=4 4534 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [0,1,0,0,0,0|3,0,0]=4 4535 B10R0.78 C=C(F)CSC(C)CCCC 62a_100000042424_200011215066 [0,1,0,0,0,0|3,0,0]=4 4536 B10R0.78 C=C(F)CSC(C)CCCC 62a_200011215066_100000042424 [0,1,0,0,0,0|3,0,0]=4 4537 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,1,0,0,0,0|3,0,0]=4 4538 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,1,0,0,0,0|3,0,0]=4 4539 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,1,0,0,0,0|3,0,0]=4 4540 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [0,1,0,0,0,0|3,0,0]=4 4541 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [0,1,0,0,0,0|3,0,0]=4 4542 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [0,1,0,0,0,0|2,0,1]=4 4543 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,1,0,0,0,0|1,0,1]=3 4544 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,1,0,0,0,0|1,0,2]=4 4545 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [0,1,0,0,0,0|1,0,2]=4 4546 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,1,0,0,0,0|2,0,1]=4 4547 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,1,0,0,0,0|2,0,1]=4 4548 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,1,0,0,0,0|2,0,1]=4 4549 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,1,0,0,0,0|2,0,1]=4 4550 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,1,0,0,0,0|2,0,1]=4 4551 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,1,0,0,0,0|2,0,1]=4 4552 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,1,0,0,0,0|2,0,1]=4 4553 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,0,0,0,0|1,0,0]=2 4554 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,0,0,0,0|1,0,0]=2 4555 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,1,0,0,0,0|2,0,0]=3 4556 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,1,0,0,0,0|2,0,0]=3 4557 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,1,0,0,0,0|1,0,0]=2 4558 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,1,0,0,0,0|2,0,1]=4 4559 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,1,0,0,0,0|2,0,1]=4 4560 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,1,0,0,0,0|2,0,1]=4 4561 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,1,0,0,0,0|2,0,1]=4 4562 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,1,0,0,0,0|2,0,1]=4 4563 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,1,0,0,0,0|2,0,0]=3 4564 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,1,0,0,0,0|2,0,0]=3 4565 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,1,0,0,0,0|2,0,0]=3 4566 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,1,0,0,0,0|1,0,1]=3 4567 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,1,0,0,0,0|2,0,1]=4 4568 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,1,0,0,0,0|2,0,1]=4 4569 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,1,0,0,0,0|2,0,1]=4 4570 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,1,0,0,0,0|2,0,1]=4 4571 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 34a_100000687866_100000761209 [0,1,0,0,0,0|2,0,1]=4 4572 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,1,0,0,0,0|2,0,0]=3 4573 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,1,0,0,0,0|2,0,0]=3 4574 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,1,0,0,0,0|1,0,1]=3 4575 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,1,0,0,0,0|1,0,1]=3 4576 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,1,0,0,0,0|2,0,1]=4 4577 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,1,0,0,0,0|2,0,1]=4 4578 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,1,0,0,0,0|2,0,1]=4 4579 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,1,0,0,0,0|2,0,1]=4 4580 B10R0.78 CCCCC(C)SC[N+](=O)[O-] 62a_200011215066_100000761209 [0,1,0,0,0,0|2,0,1]=4 4581 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,1,0,0,0,0|2,0,0]=3 4582 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,1,0,0,0,0|2,0,0]=3 4583 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,1,0,0,0,0|2,0,0]=3 4584 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,1,0,0,0,0|2,0,0]=3 4585 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [0,1,0,0,0,0|2,0,1]=4 4586 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [0,1,0,0,0,0|2,0,1]=4 4587 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,1,0,0,0,0|3,0,0]=4 4588 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,1,0,0,0,0|2,0,1]=4 4589 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,1,0,0,0,0|2,0,1]=4 4590 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,1,0,0,0,0|2,0,1]=4 4591 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,1,0,0,0,0|2,0,1]=4 4592 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,1,0,0,0,0|3,0,0]=4 4593 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,1,0,0,0,0|3,0,0]=4 4594 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,1,0,0,0,0|3,0,0]=4 4595 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,1,0,0,0,0|3,0,0]=4 4596 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,1,0,0,0,0|3,0,0]=4 4597 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,1,0,0,0,0|2,0,1]=4 4598 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,1,0,0,0,0|3,0,0]=4 4599 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,1,0,0,0,0|3,0,0]=4 4600 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [0,1,0,0,0,0|3,0,0]=4 4601 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [0,1,0,0,0,0|3,0,0]=4 4602 B10R0.78 CCOCC(C)OCC(=O)[O-] 34a_100000718985_100020667443 [0,1,0,0,0,0|2,0,1]=4 4603 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,1,0,0,0,0|3,0,0]=4 4604 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,1,0,0,0,0|3,0,0]=4 4605 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,1,0,0,0,0|3,0,0]=4 4606 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,1,0,0,0,0|3,0,0]=4 4607 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,1,0,0,0,0|3,0,0]=4 4608 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,1,0,0,0,0|3,0,0]=4 4609 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,1,0,0,0,0|3,0,0]=4 4610 B10R0.78 CN(CCCF)CCC(=O)N 2230a_100000730477_100011934791 [0,1,0,0,0,0|3,0,0]=4 4611 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000213112_100000744528 [0,1,0,0,0,0|3,0,0]=4 4612 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000730477_100000230001 [0,1,0,0,0,0|3,0,0]=4 4613 B10R0.78 CN(CCCO)CCC(=O)N 269982a_100000213112_100000744528 [0,1,0,0,0,0|3,0,0]=4 4614 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,1,0,0,0,0|2,0,1]=4 4615 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,1,0,0,0,0|2,0,1]=4 4616 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,1,0,0,0,0|3,0,0]=4 4617 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,1,0,0,0,0|3,0,0]=4 4618 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000730477_100011201679 [0,1,0,0,0,0|3,0,0]=4 4619 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000743101_100000744528 [0,1,0,0,0,0|3,0,0]=4 4620 B10R0.78 COCCN(C)CCC(=O)N 269982a_100000743101_100000744528 [0,1,0,0,0,0|3,0,0]=4 4621 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,1,0,0,0,0|3,0,0]=4 4622 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,1,0,0,0,0|2,0,1]=4 4623 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [0,1,0,0,0,0|3,0,0]=4 4624 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000686725_100000744528 [0,1,0,0,0,0|3,0,0]=4 4625 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000730477_100000751147 [0,1,0,0,0,0|3,0,0]=4 4626 B10R0.78 CSCCN(C)CCC(=O)N 269982a_100000686725_100000744528 [0,1,0,0,0,0|3,0,0]=4 4627 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,1,0,0,0,0|2,0,1]=4 4628 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,1,0,0,0,0|2,0,1]=4 4629 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,1,0,0,0,0|2,0,1]=4 4630 B10R0.97 C=C(Br)CCOCCC(C)C 34a_100009813270_100000210312 [0,1,0,0,0,0|3,0,0]=4 4631 B10R0.97 C=C(Br)CCOCCC(C)O 34a_100009813270_100012276601 [0,1,0,0,0,0|3,0,0]=4 4632 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,1,0,0,0,0|3,0,0]=4 4633 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,1,0,0,0,0|2,0,1]=4 4634 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,1,0,0,0,0|2,0,1]=4 4635 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,1,0,0,0,0|2,0,1]=4 4636 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,1,0,0,0,0|2,0,1]=4 4637 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,1,0,0,0,0|2,0,1]=4 4638 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,1,0,0,0,0|2,0,1]=4 4639 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,1,0,0,0,0|3,0,0]=4 4640 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,1,0,0,0,0|3,0,0]=4 4641 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,1,0,0,0,0|3,0,0]=4 4642 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,1,0,0,0,0|3,0,0]=4 4643 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,1,0,0,0,0|3,0,0]=4 4644 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,1,0,0,0,0|3,0,0]=4 4645 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,1,0,0,0,0|2,0,1]=4 4646 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,1,0,0,0,0|2,0,1]=4 4647 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,1,0,0,0,0|2,0,1]=4 4648 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,1,0,0,0,0|2,0,1]=4 4649 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,1,0,0,0,0|3,0,0]=4 4650 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,1,0,0,0,0|3,0,0]=4 4651 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,1,0,0,0,0|3,0,0]=4 4652 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,1,0,0,0,0|3,0,0]=4 4653 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [0,1,0,0,0,0|2,0,1]=4 4654 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,1,0,0,0,0|3,0,0]=4 4655 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,1,0,0,0,0|3,0,0]=4 4656 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,1,0,0,0,0|2,0,1]=4 4657 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,1,0,0,0,0|2,0,1]=4 4658 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,1,0,0,0,0|2,0,1]=4 4659 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [0,1,0,0,0,0|2,0,1]=4 4660 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,1,0,0,0,0|3,0,0]=4 4661 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,1,0,0,0,0|3,0,0]=4 4662 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,1,0,0,0,0|3,0,0]=4 4663 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,1,0,0,0,0|3,0,0]=4 4664 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,1,0,0,0,0|2,0,1]=4 4665 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,1,0,0,0,0|2,0,1]=4 4666 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [0,1,0,0,0,0|2,0,1]=4 4667 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [0,1,0,0,0,0|2,0,1]=4 4668 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,1,0,0,0,0|3,0,0]=4 4669 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,1,0,0,0,0|3,0,0]=4 4670 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,1,0,0,0,0|3,0,0]=4 4671 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,1,0,0,0,0|3,0,0]=4 4672 B10R0.97 C=C(F)CNCCCC(C)C 2230a_200000737386_100009893438 [0,1,0,0,0,0|3,0,0]=4 4673 B10R0.97 C=C(F)CNCCCC(C)C 34a_200000737386_100009893438 [0,1,0,0,0,0|3,0,0]=4 4674 B10R0.97 C=C(F)COCCCC(C)C 34a_100000210774_100009893438 [0,1,0,0,0,0|3,0,0]=4 4675 B10R0.97 C=C(F)COCCCC(C)C 34a_200010262243_100011214892 [0,1,0,0,0,0|3,0,0]=4 4676 B10R0.97 C=C(F)COCCCC(C)C 7a_100000210774_100000042424 [0,1,0,0,0,0|3,0,0]=4 4677 B10R0.97 C=C(F)COCCCC(C)O 34a_200010262243_200000718107 [0,1,0,0,0,0|3,0,0]=4 4678 B10R0.97 C=C(F)CSCCCC(C)C 62a_100000042424_100011214892 [0,1,0,0,0,0|3,0,0]=4 4679 B10R0.97 C=C(F)CSCCCC(C)C 62a_100011214892_100000042424 [0,1,0,0,0,0|3,0,0]=4 4680 B10R0.97 C=C(F)CSCCCC(C)O 62a_100000042424_200000718107 [0,1,0,0,0,0|3,0,0]=4 4681 B10R0.97 C=C(F)CSCCCC(C)O 62a_200000718107_100000042424 [0,1,0,0,0,0|3,0,0]=4 4682 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,1,0,0,0,0|1,0,2]=4 4683 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,1,0,0,0,0|1,0,2]=4 4684 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,1,0,0,0,0|1,0,1]=3 4685 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,0,0,0,0|1,0,0]=2 4686 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,0,0,0,0|1,0,0]=2 4687 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,1,0,0,0,0|1,0,2]=4 4688 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,1,0,0,0,0|2,0,0]=3 4689 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,1,0,0,0,0|2,0,1]=4 4690 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,1,0,0,0,0|2,0,0]=3 4691 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,1,0,0,0,0|2,0,1]=4 4692 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,1,0,0,0,0|2,0,0]=3 4693 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,1,0,0,0,0|2,0,0]=3 4694 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,1,0,0,0,0|1,0,1]=3 4695 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,1,0,0,0,0|2,0,0]=3 4696 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,1,0,0,0,0|2,0,0]=3 4697 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [0,1,0,0,0,0|3,0,0]=4 4698 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,1,0,0,0,0|2,0,1]=4 4699 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,1,0,0,0,0|2,0,1]=4 4700 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,1,0,0,0,0|2,0,1]=4 4701 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,1,0,0,0,0|1,0,2]=4 4702 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,1,0,0,0,0|2,0,0]=3 4703 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,1,0,0,0,0|2,0,0]=3 4704 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,1,0,0,0,0|2,0,0]=3 4705 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,1,0,0,0,0|2,0,0]=3 4706 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,1,0,0,0,0|2,0,0]=3 4707 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,1,0,0,0,0|2,0,0]=3 4708 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,1,0,0,0,0|2,0,0]=3 4709 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [0,1,0,0,0,0|3,0,0]=4 4710 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [0,1,0,0,0,0|3,0,0]=4 4711 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [0,1,0,0,0,0|3,0,0]=4 4712 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,1,0,0,0,0|2,0,0]=3 4713 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,1,0,0,0,0|2,0,0]=3 4714 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,1,0,0,0,0|2,0,0]=3 4715 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,1,0,0,0,0|2,0,0]=3 4716 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,1,0,0,0,0|2,0,1]=4 4717 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,1,0,0,0,0|2,0,1]=4 4718 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,1,0,0,0,0|1,0,2]=4 4719 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,1,0,0,0,0|1,0,2]=4 4720 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,1,0,0,0,0|2,0,0]=3 4721 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,1,0,0,0,0|2,0,0]=3 4722 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,1,0,0,0,0|2,0,0]=3 4723 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,1,0,0,0,0|2,0,0]=3 4724 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [0,1,0,0,0,0|3,0,0]=4 4725 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [0,1,0,0,0,0|3,0,0]=4 4726 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,1,0,0,0,0|2,0,0]=3 4727 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,1,0,0,0,0|2,0,0]=3 4728 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,1,0,0,0,0|2,0,1]=4 4729 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,1,0,0,0,0|2,0,1]=4 4730 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,1,0,0,0,0|2,0,1]=4 4731 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,1,0,0,0,0|2,0,1]=4 4732 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,1,0,0,0,0|2,0,1]=4 4733 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,1,0,0,0,0|2,0,0]=3 4734 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,1,0,0,0,0|2,0,0]=3 4735 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,1,0,0,0,0|2,0,0]=3 4736 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,1,0,0,0,0|2,0,0]=3 4737 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,1,0,0,0,0|2,0,0]=3 4738 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,1,0,0,0,0|3,0,0]=4 4739 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [0,1,0,0,0,0|3,0,0]=4 4740 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,1,0,0,0,0|2,0,1]=4 4741 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,1,0,0,0,0|2,0,1]=4 4742 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,1,0,0,0,0|2,0,1]=4 4743 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,1,0,0,0,0|2,0,0]=3 4744 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,1,0,0,0,0|2,0,0]=3 4745 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,1,0,0,0,0|2,0,0]=3 4746 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,1,0,0,0,0|2,0,0]=3 4747 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,1,0,0,0,0|3,0,0]=4 4748 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [0,1,0,0,0,0|3,0,0]=4 4749 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [0,1,0,0,0,0|3,0,0]=4 4750 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,1,0,0,0,0|2,0,1]=4 4751 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,1,0,0,0,0|2,0,0]=3 4752 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,1,0,0,0,0|2,0,0]=3 4753 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [0,1,0,0,0,0|3,0,0]=4 4754 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [0,1,0,0,0,0|3,0,0]=4 4755 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,1,0,0,0,0|2,0,1]=4 4756 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,1,0,0,0,0|2,0,1]=4 4757 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,1,0,0,0,0|2,0,1]=4 4758 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,1,0,0,0,0|2,0,1]=4 4759 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,1,0,0,0,0|3,0,0]=4 4760 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,1,0,0,0,0|3,0,0]=4 4761 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,1,0,0,0,0|3,0,0]=4 4762 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,1,0,0,0,0|3,0,0]=4 4763 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,1,0,0,0,0|3,0,0]=4 4764 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,1,0,0,0,0|3,0,0]=4 4765 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,1,0,0,0,0|3,0,0]=4 4766 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,1,0,0,0,0|2,0,1]=4 4767 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,1,0,0,0,0|3,0,0]=4 4768 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,1,0,0,0,0|3,0,0]=4 4769 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,1,0,0,0,0|3,0,0]=4 4770 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,1,0,0,0,0|3,0,0]=4 4771 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,1,0,0,0,0|3,0,0]=4 4772 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,1,0,0,0,0|3,0,0]=4 4773 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,1,0,0,0,0|3,0,0]=4 4774 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,1,0,0,0,0|3,0,0]=4 4775 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,1,0,0,0,0|3,0,0]=4 4776 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,1,0,0,0,0|3,0,0]=4 4777 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,1,0,0,0,0|3,0,0]=4 4778 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,1,0,0,0,0|3,0,0]=4 4779 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,1,0,0,0,0|3,0,0]=4 4780 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,1,0,0,0,0|3,0,0]=4 4781 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,1,0,0,0,0|3,0,0]=4 4782 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,1,0,0,0,0|3,0,0]=4 4783 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,1,0,0,0,0|3,0,0]=4 4784 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,1,0,0,0,0|3,0,0]=4 4785 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,1,0,0,0,0|3,0,0]=4 4786 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,1,0,0,0,0|2,0,1]=4 4787 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,1,0,0,0,0|3,0,0]=4 4788 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,1,0,0,0,0|3,0,0]=4 4789 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,1,0,0,0,0|3,0,0]=4 4790 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,1,0,0,0,0|3,0,0]=4 4791 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,1,0,0,0,0|3,0,0]=4 4792 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,1,0,0,0,0|3,0,0]=4 4793 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,1,0,0,0,0|3,0,0]=4 4794 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,1,0,0,0,0|3,0,0]=4 4795 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,1,0,0,0,0|3,0,0]=4 4796 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,1,0,0,0,0|3,0,0]=4 4797 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,1,0,0,0,0|3,0,0]=4 4798 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,1,0,0,0,0|3,0,0]=4 4799 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,1,0,0,0,0|3,0,0]=4 4800 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,1,0,0,0,0|3,0,0]=4 4801 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,1,0,0,0,0|3,0,0]=4 4802 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,1,0,0,0,0|3,0,0]=4 4803 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,1,0,0,0,0|3,0,0]=4 4804 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,1,0,0,0,0|3,0,0]=4 4805 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,1,0,0,0,0|3,0,0]=4 4806 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,1,0,0,0,0|3,0,0]=4 4807 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,1,0,0,0,0|3,0,0]=4 4808 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,1,0,0,0,0|3,0,0]=4 4809 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,1,0,0,0,0|3,0,0]=4 4810 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,1,0,0,0,0|3,0,0]=4 4811 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,1,0,0,0,0|3,0,0]=4 4812 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,1,0,0,0,0|3,0,0]=4 4813 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,1,0,0,0,0|3,0,0]=4 4814 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,1,0,0,0,0|2,0,0]=3 4815 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,1,0,0,0,0|2,0,0]=3 4816 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,1,0,0,0,0|3,0,0]=4 4817 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,0,0,0,0|1,0,0]=2 4818 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [0,1,0,0,0,0|3,0,0]=4 4819 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [0,1,0,0,0,0|3,0,0]=4 4820 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,1,0,0,0,0|2,0,0]=3 4821 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,1,0,0,0,0|2,0,0]=3 4822 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,1,0,0,0,0|2,0,0]=3 4823 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,1,0,0,0,0|1,0,0]=2 4824 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,1,0,0,0,0|1,0,1]=3 4825 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,1,0,0,0,0|2,0,1]=4 4826 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,1,0,0,0,0|2,0,1]=4 4827 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,1,0,0,0,0|2,0,1]=4 4828 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,1,0,0,0,0|2,0,1]=4 4829 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,1,0,0,0,0|2,0,1]=4 4830 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,1,0,0,0,0|2,0,1]=4 4831 B10R0.97 CC(C)CCCNC[N+](=O)[O-] 34a_200000737386_100000761209 [0,1,0,0,0,0|2,0,1]=4 4832 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,1,0,0,0,0|2,0,0]=3 4833 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,1,0,0,0,0|2,0,0]=3 4834 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,1,0,0,0,0|1,0,1]=3 4835 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,1,0,0,0,0|2,0,1]=4 4836 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,1,0,0,0,0|2,0,1]=4 4837 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,1,0,0,0,0|2,0,1]=4 4838 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,1,0,0,0,0|2,0,1]=4 4839 B10R0.97 CC(C)CCCOC[N+](=O)[O-] 34a_100000210774_100000761209 [0,1,0,0,0,0|2,0,1]=4 4840 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,1,0,0,0,0|2,0,0]=3 4841 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,1,0,0,0,0|2,0,0]=3 4842 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,1,0,0,0,0|1,0,1]=3 4843 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,1,0,0,0,0|1,0,1]=3 4844 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,1,0,0,0,0|2,0,1]=4 4845 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,1,0,0,0,0|2,0,1]=4 4846 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,1,0,0,0,0|2,0,1]=4 4847 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,1,0,0,0,0|2,0,1]=4 4848 B10R0.97 CC(C)CCCSC[N+](=O)[O-] 62a_100011214892_100000761209 [0,1,0,0,0,0|2,0,1]=4 4849 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,1,0,0,0,0|2,0,0]=3 4850 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [0,1,0,0,0,0|2,0,1]=4 4851 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [0,1,0,0,0,0|2,0,1]=4 4852 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,1,0,0,0,0|2,0,0]=3 4853 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,1,0,0,0,0|2,0,0]=3 4854 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,1,0,0,0,0|2,0,0]=3 4855 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,1,0,0,0,0|2,0,0]=3 4856 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,1,0,0,0,0|2,0,0]=3 4857 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,1,0,0,0,0|2,0,1]=4 4858 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,1,0,0,0,0|2,0,1]=4 4859 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,1,0,0,0,0|2,0,0]=3 4860 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,1,0,0,0,0|2,0,0]=3 4861 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [0,1,0,0,0,0|2,0,1]=4 4862 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [0,1,0,0,0,0|2,0,1]=4 4863 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,1,0,0,0,0|2,0,0]=3 4864 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,1,0,0,0,0|2,0,0]=3 4865 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [0,1,0,0,0,0|2,0,1]=4 4866 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [0,1,0,0,0,0|2,0,1]=4 4867 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [0,1,0,0,0,0|3,0,0]=4 4868 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [0,1,0,0,0,0|3,0,0]=4 4869 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [0,1,0,0,0,0|3,0,0]=4 4870 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [0,1,0,0,0,0|3,0,0]=4 4871 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,1,0,0,0,0|3,0,0]=4 4872 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,1,0,0,0,0|2,0,0]=3 4873 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [0,1,0,0,0,0|2,0,1]=4 4874 B10R0.97 CC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000210624 [0,1,0,0,0,0|2,0,1]=4 4875 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,1,0,0,0,0|3,0,0]=4 4876 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,1,0,0,0,0|3,0,0]=4 4877 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,1,0,0,0,0|3,0,0]=4 4878 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,1,0,0,0,0|2,0,0]=3 4879 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,1,0,0,0,0|2,0,0]=3 4880 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [0,1,0,0,0,0|2,0,1]=4 4881 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [0,1,0,0,0,0|2,0,1]=4 4882 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [0,1,0,0,0,0|3,0,0]=4 4883 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [0,1,0,0,0,0|3,0,0]=4 4884 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,1,0,0,0,0|3,0,0]=4 4885 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,1,0,0,0,0|3,0,0]=4 4886 B10R0.97 CC(C)NCCCCB(O)O 2230a_100138425928_200009817182 [0,1,0,0,0,0|2,0,1]=4 4887 B10R0.97 CC(C)NCCCCB(O)O 34a_100138425928_200009817182 [0,1,0,0,0,0|2,0,1]=4 4888 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,1,0,0,0,0|2,0,0]=3 4889 B10R0.97 CC(C)NCCOCC(=O)N 2230a_100138425928_100000076697 [0,1,0,0,0,0|3,0,0]=4 4890 B10R0.97 CC(C)NCCOCC(=O)N 34a_100000224655_100000187820 [0,1,0,0,0,0|3,0,0]=4 4891 B10R0.97 CC(C)NCCOCC(=O)N 34a_100138425928_100000076697 [0,1,0,0,0,0|3,0,0]=4 4892 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,1,0,0,0,0|2,0,0]=3 4893 B10R0.97 CC(C)NCCOCC(=O)[O-] 34a_100000224655_100020667443 [0,1,0,0,0,0|2,0,1]=4 4894 B10R0.97 CC(C)OCCCCB(O)O 34a_100000212225_200009817182 [0,1,0,0,0,0|2,0,1]=4 4895 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,1,0,0,0,0|2,0,0]=3 4896 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,1,0,0,0,0|2,0,0]=3 4897 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000210206 [0,1,0,0,0,0|2,0,1]=4 4898 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000210206 [0,1,0,0,0,0|2,0,1]=4 4899 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000701111_100000747473 [0,1,0,0,0,0|3,0,0]=4 4900 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000711301_100000211751 [0,1,0,0,0,0|3,0,0]=4 4901 B10R0.97 CC(C)OCCNCC(=O)N 34a_100000701111_100000187820 [0,1,0,0,0,0|3,0,0]=4 4902 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,1,0,0,0,0|2,0,0]=3 4903 B10R0.97 CC(C)OCCNCC(=O)[O-] 34a_100000701111_100020667443 [0,1,0,0,0,0|2,0,1]=4 4904 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000211219_100000187820 [0,1,0,0,0,0|3,0,0]=4 4905 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000212225_100000076697 [0,1,0,0,0,0|3,0,0]=4 4906 B10R0.97 CC(C)OCCOCC(=O)N 7a_100000211219_100000187820 [0,1,0,0,0,0|3,0,0]=4 4907 B10R0.97 CC(C)OCCOCC(=O)[O-] 34a_100000211219_100020667443 [0,1,0,0,0,0|2,0,1]=4 4908 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000211751_100000747473 [0,1,0,0,0,0|3,0,0]=4 4909 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000747473_100000211751 [0,1,0,0,0,0|3,0,0]=4 4910 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100000211751_100020667443 [0,1,0,0,0,0|2,0,1]=4 4911 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100020667443_100000211751 [0,1,0,0,0,0|2,0,1]=4 4912 B10R0.97 CC(C)OCNOCC(=O)O 269956a_100000106656_100000709892 [0,1,0,0,0,0|3,0,0]=4 4913 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [0,1,0,0,0,0|3,0,0]=4 4914 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000709892_100000744528 [0,1,0,0,0,0|3,0,0]=4 4915 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000744528_100000709892 [0,1,0,0,0,0|3,0,0]=4 4916 B10R0.97 CC(C)SCCCCB(O)O 62a_100000210206_200009817182 [0,1,0,0,0,0|2,0,1]=4 4917 B10R0.97 CC(C)SCCCCB(O)O 62a_200009817182_100000210206 [0,1,0,0,0,0|2,0,1]=4 4918 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000711301_100000730970 [0,1,0,0,0,0|3,0,0]=4 4919 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000731138_100000747473 [0,1,0,0,0,0|3,0,0]=4 4920 B10R0.97 CC(C)SCCNCC(=O)N 34a_100000731138_100000187820 [0,1,0,0,0,0|3,0,0]=4 4921 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,1,0,0,0,0|2,0,0]=3 4922 B10R0.97 CC(C)SCCNCC(=O)[O-] 34a_100000731138_100020667443 [0,1,0,0,0,0|2,0,1]=4 4923 B10R0.97 CC(C)SCCOCC(=O)N 34a_200011212901_100000187820 [0,1,0,0,0,0|3,0,0]=4 4924 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000076697_100000210206 [0,1,0,0,0,0|3,0,0]=4 4925 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000210206_100000076697 [0,1,0,0,0,0|3,0,0]=4 4926 B10R0.97 CC(C)SCCOCC(=O)N 7a_200011212901_100000187820 [0,1,0,0,0,0|3,0,0]=4 4927 B10R0.97 CC(C)SCCOCC(=O)[O-] 34a_200011212901_100020667443 [0,1,0,0,0,0|2,0,1]=4 4928 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000730970_100000747473 [0,1,0,0,0,0|3,0,0]=4 4929 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000747473_100000730970 [0,1,0,0,0,0|3,0,0]=4 4930 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100000730970_100020667443 [0,1,0,0,0,0|2,0,1]=4 4931 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100020667443_100000730970 [0,1,0,0,0,0|2,0,1]=4 4932 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,1,0,0,0,0|2,0,0]=3 4933 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,1,0,0,0,0|3,0,0]=4 4934 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,1,0,0,0,0|2,0,0]=3 4935 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,1,0,0,0,0|1,0,0]=2 4936 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [0,1,0,0,0,0|2,0,1]=4 4937 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [0,1,0,0,0,0|2,0,1]=4 4938 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [0,1,0,0,0,0|2,0,1]=4 4939 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [0,1,0,0,0,0|2,0,1]=4 4940 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [0,1,0,0,0,0|2,0,1]=4 4941 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [0,1,0,0,0,0|2,0,1]=4 4942 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,1,0,0,0,0|2,0,0]=3 4943 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,1,0,0,0,0|2,0,0]=3 4944 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,1,0,0,0,0|1,0,1]=3 4945 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,1,0,0,0,0|1,0,1]=3 4946 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [0,1,0,0,0,0|2,0,1]=4 4947 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [0,1,0,0,0,0|2,0,1]=4 4948 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [0,1,0,0,0,0|2,0,1]=4 4949 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [0,1,0,0,0,0|2,0,1]=4 4950 B10R0.97 CC(O)CCCSC[N+](=O)[O-] 62a_200000718107_100000761209 [0,1,0,0,0,0|2,0,1]=4 4951 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,1,0,0,0,0|2,0,0]=3 4952 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [0,1,0,0,0,0|2,0,1]=4 4953 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,1,0,0,0,0|2,0,0]=3 4954 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,1,0,0,0,0|2,0,0]=3 4955 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,1,0,0,0,0|2,0,0]=3 4956 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [0,1,0,0,0,0|2,0,1]=4 4957 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [0,1,0,0,0,0|2,0,1]=4 4958 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,1,0,0,0,0|2,0,0]=3 4959 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,1,0,0,0,0|2,0,0]=3 4960 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [0,1,0,0,0,0|2,0,1]=4 4961 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,1,0,0,0,0|2,0,0]=3 4962 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,1,0,0,0,0|2,0,0]=3 4963 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [0,1,0,0,0,0|3,0,0]=4 4964 B10R0.97 CC(O)CNCCNC(=O)N 2230a_100000210904_200000034859 [0,1,0,0,0,0|3,0,0]=4 4965 B10R0.97 CC(O)CNCCNC(=O)N 34a_100020590234_100011218427 [0,1,0,0,0,0|3,0,0]=4 4966 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,1,0,0,0,0|3,0,0]=4 4967 B10R0.97 CC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218427 [0,1,0,0,0,0|2,0,1]=4 4968 B10R0.97 CC(O)COCCNC(=O)N 34a_100000181757_100011218427 [0,1,0,0,0,0|3,0,0]=4 4969 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,1,0,0,0,0|3,0,0]=4 4970 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,1,0,0,0,0|2,0,0]=3 4971 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,1,0,0,0,0|2,0,0]=3 4972 B10R0.97 CC(O)CSCCNC(=O)N 62a_100011218427_200000034859 [0,1,0,0,0,0|3,0,0]=4 4973 B10R0.97 CC(O)CSCCNC(=O)N 62a_200000034859_100011218427 [0,1,0,0,0,0|3,0,0]=4 4974 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,1,0,0,0,0|3,0,0]=4 4975 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,1,0,0,0,0|3,0,0]=4 4976 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [0,1,0,0,0,0|2,0,1]=4 4977 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [0,1,0,0,0,0|2,0,1]=4 4978 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,1,0,0,0,0|2,0,0]=3 4979 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,1,0,0,0,0|2,0,0]=3 4980 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,1,0,0,0,0|2,0,0]=3 4981 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [0,1,0,0,0,0|3,0,0]=4 4982 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [0,1,0,0,0,0|2,0,1]=4 4983 B10R0.97 CN(C)CCNOCC(=O)O 269956a_100000106656_100000755713 [0,1,0,0,0,0|3,0,0]=4 4984 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,1,0,0,0,0|3,0,0]=4 4985 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,1,0,0,0,0|3,0,0]=4 4986 B10R0.97 CS(=O)CCCNCC(=O)N 2230a_200000753449_100000747473 [0,1,0,0,0,0|3,0,0]=4 4987 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,1,0,0,0,0|2,0,0]=3 4988 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,1,0,0,0,0|3,0,0]=4 4989 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,1,0,0,0,0|2,0,0]=3 4990 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,1,0,0,0,0|2,0,0]=3 4991 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,1,0,0,0,0|3,0,0]=4 4992 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,1,0,0,0,0|2,0,0]=3 4993 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [0,1,0,0,0,0|3,0,0]=4 4994 B10R0.97 C[C@@H](O)CNCCNC(=O)N 34a_100020590234_100009817552 [0,1,0,0,0,0|3,0,0]=4 4995 B10R0.97 C[C@@H](O)COCCC[N+](=O)[O-] 34a_200000037920_100009817552 [0,1,0,0,0,0|2,0,1]=4 4996 B10R0.97 C[C@@H](O)COCCNC(=O)N 34a_100000181757_100009817552 [0,1,0,0,0,0|3,0,0]=4 4997 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,1,0,0,0,0|3,0,0]=4 4998 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,1,0,0,0,0|2,0,0]=3 4999 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,1,0,0,0,0|2,0,0]=3 5000 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_100009817552_200000034859 [0,1,0,0,0,0|3,0,0]=4 5001 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_200000034859_100009817552 [0,1,0,0,0,0|3,0,0]=4 5002 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,1,0,0,0,0|3,0,0]=4 5003 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,1,0,0,0,0|3,0,0]=4 5004 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,1,0,0,0,0|2,0,1]=4 5005 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000739312_100011934356 [0,1,0,0,0,0|3,0,0]=4 5006 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000765723_100102525003 [0,1,0,0,0,0|3,0,0]=4 5007 B10R0.97 NC(=O)CCCOCC(F)F 34a_100000743014_100102525003 [0,1,0,0,0,0|3,0,0]=4 5008 B10R0.97 NC(=O)CCCSCC(F)F 62a_100011934356_100102525003 [0,1,0,0,0,0|3,0,0]=4 5009 B10R0.97 NC(=O)CCCSCC(F)F 62a_100102525003_100011934356 [0,1,0,0,0,0|3,0,0]=4 5010 B10R0.97 NC(=O)CCOCCC(F)F 34a_100103093639_100000731001 [0,1,0,0,0,0|3,0,0]=4 5011 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,1,0,0,0,0|1,0,2]=4 5012 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [0,0,0,1,0,0|2,0,1]=4 5013 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [0,0,0,1,0,0|2,0,1]=4 5014 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,0,0,1,0,0|3,0,0]=4 5015 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,0,1,0,0|3,0,0]=4 5016 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,0,0,1,0,0|2,0,1]=4 5017 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,0,0,1,0,0|2,0,1]=4 5018 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,0,0,1,0,0|3,0,0]=4 5019 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,0,0,1,0,0|3,0,0]=4 5020 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,0,0,1,0,0|3,0,0]=4 5021 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,1,0,0|2,0,0]=3 5022 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,0,0,1,0,0|3,0,0]=4 5023 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,0,0,1,0,0|2,0,1]=4 5024 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,0,0,1,0,0|2,0,0]=3 5025 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,0,0,1,0,0|3,0,0]=4 5026 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,0,0,1,0,0|3,0,0]=4 5027 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,0,0,1,0,0|3,0,0]=4 5028 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,0,0,1,0,0|2,0,1]=4 5029 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,0,0,1,0,0|2,0,0]=3 5030 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,0,0,1,0,0|3,0,0]=4 5031 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,0,0,1,0,0|3,0,0]=4 5032 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,0,0,1,0,0|2,0,1]=4 5033 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,0,0,1,0,0|2,0,1]=4 5034 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,0,0,1,0,0|3,0,0]=4 5035 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,0,0,1,0,0|2,0,1]=4 5036 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,0,0,1,0,0|3,0,0]=4 5037 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,0,0,1,0,0|2,0,1]=4 5038 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,0,0,1,0,0|2,0,0]=3 5039 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,0,0,1,0,0|3,0,0]=4 5040 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,0,0,1,0,0|2,0,0]=3 5041 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,0,0,1,0,0|2,0,0]=3 5042 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,0,0,1,0,0|3,0,0]=4 5043 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,0,0,1,0,0|3,0,0]=4 5044 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,0,0,1,0,0|2,0,0]=3 5045 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,0,0,1,0,0|2,0,0]=3 5046 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,0,0,1,0,0|2,0,0]=3 5047 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,0,0,1,0,0|2,0,0]=3 5048 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,0,0,1,0,0|3,0,0]=4 5049 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,0,0,1,0,0|2,0,0]=3 5050 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,0,0,1,0,0|3,0,0]=4 5051 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,0,0,1,0,0|2,0,0]=3 5052 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,0,0,1,0,0|2,0,0]=3 5053 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,0,0,1,0,0|2,0,0]=3 5054 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,0,0,1,0,0|3,0,0]=4 5055 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,0,0,1,0,0|2,0,0]=3 5056 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,0,0,1,0,0|2,0,0]=3 5057 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,0,0,1,0,0|2,0,0]=3 5058 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,0,0,1,0,0|2,0,0]=3 5059 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,0,0,1,0,0|2,0,0]=3 5060 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,0,0,1,0,0|2,0,0]=3 5061 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,0,0,1,0,0|3,0,0]=4 5062 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,0,0,1,0,0|3,0,0]=4 5063 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,0,0,1,0,0|3,0,0]=4 5064 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,0,0,1,0,0|3,0,0]=4 5065 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,0,0,1,0,0|3,0,0]=4 5066 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,0,0,1,0,0|3,0,0]=4 5067 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,0,0,1,0,0|3,0,0]=4 5068 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,0,0,1,0,0|3,0,0]=4 5069 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,0,0,1,0,0|3,0,0]=4 5070 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,0,0,1,0,0|3,0,0]=4 5071 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,0,0,1,0,0|3,0,0]=4 5072 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,0,0,1,0,0|3,0,0]=4 5073 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,0,0,1,0,0|3,0,0]=4 5074 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,0,0,1,0,0|3,0,0]=4 5075 B10R1.16 O=C1NCC(O1)COCF 34a_100011315639_100015361967 [0,0,0,1,0,0|3,0,0]=4 5076 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,0,0,1,0,0|3,0,0]=4 5077 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,0,0,1,0,0|3,0,0]=4 5078 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,0,0,1,0,0|3,0,0]=4 5079 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,0,0,1,0,0|3,0,0]=4 5080 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,0,0,1,0,0|3,0,0]=4 5081 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,0,0,1,0,0|3,0,0]=4 5082 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,0,0,1,0,0|3,0,0]=4 5083 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,0,0,1,0,0|3,0,0]=4 5084 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,0,0,1,0,0|3,0,0]=4 5085 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,0,0,1,0,0|3,0,0]=4 5086 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,1,0,0|1,0,2]=4 5087 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,1,0,0|1,0,2]=4 5088 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,0|1,0,0]=2 5089 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,0|1,0,0]=2 5090 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,1,0,0|2,0,0]=3 5091 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,1,0,0|2,0,0]=3 5092 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,1,0,0|2,0,0]=3 5093 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,1,0,0|2,0,0]=3 5094 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,1,0,0|2,0,0]=3 5095 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,1,0,0|2,0,0]=3 5096 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,1,0,0|2,0,0]=3 5097 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,0,0,1,0,0|3,0,0]=4 5098 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,0|2,0,0]=3 5099 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,0|2,0,0]=3 5100 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,0|2,0,0]=3 5101 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,0|2,0,0]=3 5102 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,1,0,0|3,0,0]=4 5103 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,1,0,0|3,0,0]=4 5104 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,1,0,0|3,0,0]=4 5105 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,1,0,0|3,0,0]=4 5106 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,0,0,1,0,0|3,0,0]=4 5107 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,0,0,1,0,0|3,0,0]=4 5108 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,0,0,1,0,0|3,0,0]=4 5109 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,0,0,1,0,0|3,0,0]=4 5110 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,1,0,0|3,0,0]=4 5111 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,1,0,0|3,0,0]=4 5112 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,1,0,0|3,0,0]=4 5113 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,1,0,0|3,0,0]=4 5114 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,0,0,1,0,0|3,0,0]=4 5115 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,0,0,1,0,0|3,0,0]=4 5116 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,0,0,1,0,0|3,0,0]=4 5117 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,0,0,1,0,0|3,0,0]=4 5118 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,0,0,1,0,0|3,0,0]=4 5119 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,0,0,1,0,0|3,0,0]=4 5120 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,0,0,1,0,0|3,0,0]=4 5121 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,0,0,1,0,0|3,0,0]=4 5122 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,0,0,1,0,0|3,0,0]=4 5123 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,0,0,1,0,0|3,0,0]=4 5124 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,0,0,1,0,0|3,0,0]=4 5125 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [0,0,0,1,0,0|3,0,0]=4 5126 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [0,0,0,1,0,0|3,0,0]=4 5127 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [0,0,0,1,0,0|3,0,0]=4 5128 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [0,0,0,1,0,0|3,0,0]=4 5129 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [0,0,0,1,0,0|3,0,0]=4 5130 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,0,0,1,0,0|2,0,1]=4 5131 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,0,0,1,0,0|2,0,1]=4 5132 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [0,0,0,1,0,0|2,0,1]=4 5133 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [0,0,0,1,0,0|2,0,1]=4 5134 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [0,0,0,1,0,0|2,0,1]=4 5135 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,1,0,0|1,0,2]=4 5136 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,1,0,0|1,0,2]=4 5137 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,0|1,0,0]=2 5138 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,1,0,0|2,0,0]=3 5139 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,1,0,0|2,0,0]=3 5140 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,1,0,0|2,0,0]=3 5141 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,1,0,0|2,0,0]=3 5142 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,0,0,1,0,0|3,0,0]=4 5143 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [0,0,0,1,0,0|3,0,0]=4 5144 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [0,0,0,1,0,0|3,0,0]=4 5145 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,0,0,1,0,0|3,0,0]=4 5146 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [0,0,0,1,0,0|3,0,0]=4 5147 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,0,0,1,0,0|2,0,1]=4 5148 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [0,0,0,1,0,0|2,0,1]=4 5149 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,0,0,1,0,0|2,0,0]=3 5150 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [0,0,0,1,0,0|2,0,1]=4 5151 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,0,0,1,0,0|2,0,0]=3 5152 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,0,0,1,0,0|2,0,0]=3 5153 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,0,0,1,0,0|2,0,0]=3 5154 B10R1.24 CCOCSC1CC(=O)C1 62a_100009894365_100000739092 [0,0,0,1,0,0|3,0,0]=4 5155 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [0,0,0,1,0,0|3,0,0]=4 5156 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [0,0,0,1,0,0|3,0,0]=4 5157 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [0,0,0,1,0,0|3,0,0]=4 5158 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [0,0,0,1,0,0|3,0,0]=4 5159 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [0,0,0,1,0,0|3,0,0]=4 5160 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [0,0,0,1,0,0|3,0,0]=4 5161 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [0,0,0,1,0,0|3,0,0]=4 5162 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,0,0,1,0,0|3,0,0]=4 5163 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [0,0,0,1,0,0|3,0,0]=4 5164 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,0,0,1,0,0|3,0,0]=4 5165 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [0,0,0,1,0,0|3,0,0]=4 5166 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [0,0,0,1,0,0|3,0,0]=4 5167 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,0,0,1,0,0|3,0,0]=4 5168 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,0,0,1,0,0|3,0,0]=4 5169 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [0,0,0,1,0,0|3,0,0]=4 5170 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,0,0,1,0,0|3,0,0]=4 5171 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,0,0,1,0,0|3,0,0]=4 5172 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,0,0,1,0,0|3,0,0]=4 5173 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [0,0,0,1,0,0|3,0,0]=4 5174 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,0,1,0,0|2,0,0]=3 5175 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,0,1,0,0|2,0,0]=3 5176 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,0,1,0,0|2,0,0]=3 5177 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,0,1,0,0|2,0,0]=3 5178 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,0,0,1,0,0|1,0,2]=4 5179 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,0,1,0,0|2,0,0]=3 5180 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,0,1,0,0|2,0,0]=3 5181 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,0,0,1,0,0|2,0,0]=3 5182 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,0,0,1,0,0|1,0,0]=2 5183 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,0,0,1,0,0|2,0,0]=3 5184 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,0,0,1,0,0|2,0,0]=3 5185 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [0,0,0,1,0,0|3,0,0]=4 5186 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,0,0,1,0,0|2,0,0]=3 5187 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [0,0,0,1,0,0|3,0,0]=4 5188 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,0,1,0,0|2,0,1]=4 5189 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,0|1,0,0]=2 5190 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,0,1,0,0|2,0,0]=3 5191 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,0|2,0,0]=3 5192 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,0|2,0,0]=3 5193 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,0|2,0,0]=3 5194 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,0|2,0,0]=3 5195 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,0,0,1,0,0|3,0,0]=4 5196 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,0,0,1,0,0|3,0,0]=4 5197 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,0,0,1,0,0|3,0,0]=4 5198 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,0,1,0,0|2,0,0]=3 5199 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,0|1,0,0]=2 5200 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [0,0,0,1,0,0|3,0,0]=4 5201 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,0,0,1,0,0|2,0,0]=3 5202 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,0,0,1,0,0|2,0,0]=3 5203 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,0,0,1,0,0|2,0,0]=3 5204 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,0,1,0,0|1,0,0]=2 5205 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,0,1,0,0|2,0,0]=3 5206 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,0,0,1,0,0|2,0,0]=3 5207 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,0,0,1,0,0|2,0,0]=3 5208 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,0,0,1,0,0|2,0,0]=3 5209 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,0,1,0,0|2,0,0]=3 5210 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,0,0,1,0,0|2,0,0]=3 5211 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,0,0,1,0,0|2,0,0]=3 5212 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,0,0,1,0,0|2,0,0]=3 5213 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,0,1,0,0|1,0,0]=2 5214 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,0,0,1,0,0|2,0,0]=3 5215 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,0,0,1,0,0|2,0,0]=3 5216 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,0,0,1,0,0|2,0,0]=3 5217 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [0,0,0,1,0,0|3,0,0]=4 5218 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [0,0,0,1,0,0|3,0,0]=4 5219 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [0,0,0,1,0,0|3,0,0]=4 5220 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [0,0,0,1,0,0|3,0,0]=4 5221 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [0,0,0,1,0,0|3,0,0]=4 5222 B10R1.64 C=C(F)CN1CCC[C@@H]1C 2230a_100020605311_100009893438 [0,0,0,1,0,0|3,0,0]=4 5223 B10R1.64 C=C(F)CN1CCC[C@@H]1C 269982a_100020605311_100009893438 [0,0,0,1,0,0|3,0,0]=4 5224 B10R1.64 C=C(F)CN1CCC[C@H]1C 2230a_100015189458_100009893438 [0,0,0,1,0,0|3,0,0]=4 5225 B10R1.64 C=C(F)CN1CCC[C@H]1C 269982a_100015189458_100009893438 [0,0,0,1,0,0|3,0,0]=4 5226 B10R1.64 C=C(F)CN1CCC[C@H]1C 34a_100015189458_100009893438 [0,0,0,1,0,0|3,0,0]=4 5227 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,0,0,1,0,0|3,0,0]=4 5228 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,0,0,1,0,0|3,0,0]=4 5229 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [0,0,0,1,0,0|2,0,1]=4 5230 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [0,0,0,1,0,0|2,0,1]=4 5231 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [0,0,0,1,0,0|2,0,1]=4 5232 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [0,0,0,1,0,0|2,0,1]=4 5233 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [0,0,0,1,0,0|2,0,1]=4 5234 B10R1.64 CC1SCCN1CC(=O)N 2230a_200011216479_100000747473 [0,0,0,1,0,0|3,0,0]=4 5235 B10R1.64 CC1SCCN1CC(=O)N 269982a_200011216479_100000187820 [0,0,0,1,0,0|3,0,0]=4 5236 B10R1.64 CC1SCCN1CC(=O)N 34a_200011216479_100000187820 [0,0,0,1,0,0|3,0,0]=4 5237 B10R1.64 CC1SCCN1CC(=O)[O-] 269982a_200011216479_100020667443 [0,0,0,1,0,0|2,0,1]=4 5238 B10R1.64 CC1SCCN1CC(=O)[O-] 34a_200011216479_100020667443 [0,0,0,1,0,0|2,0,1]=4 5239 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [0,0,0,1,0,0|2,0,1]=4 5240 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [0,0,0,1,0,0|2,0,1]=4 5241 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [0,0,0,1,0,0|2,0,0]=3 5242 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [0,0,0,1,0,0|2,0,0]=3 5243 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [0,0,0,1,0,0|2,0,0]=3 5244 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [0,0,0,1,0,0|1,0,1]=3 5245 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [0,0,0,1,0,0|1,0,1]=3 5246 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [0,0,0,1,0,0|2,0,1]=4 5247 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [0,0,0,1,0,0|2,0,1]=4 5248 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [0,0,0,1,0,0|2,0,1]=4 5249 B10R1.64 C[C@@H]1CCCN1C[N+](=O)[O-] 269982a_100015189458_100000761209 [0,0,0,1,0,0|2,0,1]=4 5250 B10R1.64 C[C@@H]1CCCN1C[N+](=O)[O-] 34a_100015189458_100000761209 [0,0,0,1,0,0|2,0,1]=4 5251 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [0,0,0,1,0,0|2,0,0]=3 5252 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [0,0,0,1,0,0|2,0,0]=3 5253 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [0,0,0,1,0,0|1,0,1]=3 5254 B10R1.64 C[C@H]1CCCN1C[N+](=O)[O-] 269982a_100020605311_100000761209 [0,0,0,1,0,0|2,0,1]=4 5255 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [0,0,0,1,0,0|3,0,0]=4 5256 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [0,0,0,1,0,0|3,0,0]=4 5257 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [0,0,0,1,0,0|3,0,0]=4 5258 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [0,0,0,1,0,0|3,0,0]=4 5259 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,0,0,1,0,0|3,0,0]=4 5260 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,0,0,1,0,0|3,0,0]=4 5261 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,0,0,1,0,0|3,0,0]=4 5262 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [0,0,0,1,0,0|3,0,0]=4 5263 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [0,0,0,1,0,0|3,0,0]=4 5264 B10R1.66 C=C(F)CNC1CCCC1 2230a_100000211070_100009893438 [0,0,0,1,0,0|3,0,0]=4 5265 B10R1.66 C=C(F)CNC1CCCC1 34a_100000211070_100009893438 [0,0,0,1,0,0|3,0,0]=4 5266 B10R1.66 C=C(F)COC1CCCC1 34a_100000210269_100009893438 [0,0,0,1,0,0|3,0,0]=4 5267 B10R1.66 C=C(F)COC1CCCC1 34a_200010262243_100000179811 [0,0,0,1,0,0|3,0,0]=4 5268 B10R1.66 C=C(F)COC1CCCC1 7a_100000210269_100000042424 [0,0,0,1,0,0|3,0,0]=4 5269 B10R1.66 C=C(F)CSC1CCCC1 62a_100000042424_100000179811 [0,0,0,1,0,0|3,0,0]=4 5270 B10R1.66 C=C(F)CSC1CCCC1 62a_100011217020_100000042424 [0,0,0,1,0,0|3,0,0]=4 5271 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,1,0,0|1,0,0]=2 5272 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,1,0,0|1,0,0]=2 5273 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,1,0,0|2,0,0]=3 5274 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,0,0,1,0,0|3,0,0]=4 5275 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,0,0,1,0,0|3,0,0]=4 5276 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,0,0,1,0,0|2,0,0]=3 5277 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,0,0,1,0,0|2,0,0]=3 5278 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,0,0,1,0,0|2,0,0]=3 5279 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,1,0,0|3,0,0]=4 5280 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [0,0,0,1,0,0|3,0,0]=4 5281 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,1,0,0|2,0,0]=3 5282 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,1,0,0|2,0,0]=3 5283 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,0,0,1,0,0|3,0,0]=4 5284 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,1,0,0|2,0,0]=3 5285 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,1,0,0|2,0,0]=3 5286 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,1,0,0|2,0,0]=3 5287 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,1,0,0|2,0,0]=3 5288 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,0,0,1,0,0|3,0,0]=4 5289 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,0,0,1,0,0|3,0,0]=4 5290 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,0,0,1,0,0|3,0,0]=4 5291 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,0,0,1,0,0|3,0,0]=4 5292 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,1,0,0|3,0,0]=4 5293 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,1,0,0|3,0,0]=4 5294 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,1,0,0|3,0,0]=4 5295 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,1,0,0|3,0,0]=4 5296 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,0,0,1,0,0|3,0,0]=4 5297 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,0,0,1,0,0|3,0,0]=4 5298 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [0,0,0,1,0,0|2,0,1]=4 5299 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [0,0,0,1,0,0|2,0,1]=4 5300 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [0,0,0,1,0,0|2,0,1]=4 5301 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [0,0,0,1,0,0|2,0,1]=4 5302 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [0,0,0,1,0,0|2,0,1]=4 5303 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [0,0,0,1,0,0|2,0,1]=4 5304 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [0,0,0,1,0,0|2,0,1]=4 5305 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,0,0,1,0,0|2,0,1]=4 5306 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,0,0,1,0,0|2,0,1]=4 5307 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [0,0,0,1,0,0|2,0,1]=4 5308 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [0,0,0,1,0,0|2,0,1]=4 5309 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [0,0,0,1,0,0|3,0,0]=4 5310 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [0,0,0,1,0,0|3,0,0]=4 5311 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [0,0,0,1,0,0|2,0,1]=4 5312 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [0,0,0,1,0,0|2,0,1]=4 5313 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,0,0,1,0,0|2,0,1]=4 5314 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,0,0,1,0,0|2,0,1]=4 5315 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [0,0,0,1,0,0|2,0,1]=4 5316 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [0,0,0,1,0,0|2,0,1]=4 5317 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,0,0,1,0,0|2,0,0]=3 5318 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,0,0,1,0,0|2,0,0]=3 5319 B10R1.66 NC(=O)CCN1CCSC1 2230a_100011215254_100000744528 [0,0,0,1,0,0|3,0,0]=4 5320 B10R1.66 NC(=O)CCN1CCSC1 269982a_100011215254_100000744528 [0,0,0,1,0,0|3,0,0]=4 5321 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,0,0,1,0,0|2,0,0]=3 5322 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,0,0,1,0,0|2,0,0]=3 5323 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,0,0,1,0,0|2,0,0]=3 5324 B10R1.66 NC(=O)CNC1CCOC1 2230a_100000711301_100000731011 [0,0,0,1,0,0|3,0,0]=4 5325 B10R1.66 NC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747473 [0,0,0,1,0,0|3,0,0]=4 5326 B10R1.66 NC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747473 [0,0,0,1,0,0|3,0,0]=4 5327 B10R1.66 NC(=O)CN[C@H]1CCOC1 34a_100015188467_100000187820 [0,0,0,1,0,0|3,0,0]=4 5328 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,0,0,1,0,0|2,0,0]=3 5329 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,0,0,1,0,0|2,0,0]=3 5330 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,0,0,1,0,0|3,0,0]=4 5331 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [0,0,0,1,0,0|3,0,0]=4 5332 B10R1.66 NC(=O)CO[C@H]1CCOC1 34a_100000717292_100000187820 [0,0,0,1,0,0|3,0,0]=4 5333 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,0,0,1,0,0|2,0,0]=3 5334 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,0,0,1,0,0|2,0,0]=3 5335 B10R1.66 NC(=O)CSC1CCOC1 62a_100000747473_100000690089 [0,0,0,1,0,0|3,0,0]=4 5336 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,1,0,0|1,0,0]=2 5337 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,0,0,1,0,0|2,0,0]=3 5338 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,0,0,1,0,0|1,0,1]=3 5339 B10R1.66 O=C([O-])CN[C@H]1CCOC1 34a_100015188467_100020667443 [0,0,0,1,0,0|2,0,1]=4 5340 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,0,0,1,0,0|1,0,1]=3 5341 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,0,0,1,0,0|2,0,1]=4 5342 B10R1.66 O=C([O-])CO[C@H]1CCOC1 34a_100000717292_100020667443 [0,0,0,1,0,0|2,0,1]=4 5343 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,0,0,1,0,0|1,0,1]=3 5344 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,0,0,1,0,0|1,0,1]=3 5345 B10R1.66 O=C([O-])CSC1CCOC1 62a_100020667443_100000690089 [0,0,0,1,0,0|2,0,1]=4 5346 B10R1.66 O=[N+]([O-])CNC1CCCC1 34a_100000211070_100000761209 [0,0,0,1,0,0|2,0,1]=4 5347 B10R1.66 O=[N+]([O-])COC1CCCC1 34a_100000210269_100000761209 [0,0,0,1,0,0|2,0,1]=4 5348 B10R1.66 O=[N+]([O-])CSC1CCCC1 62a_100011217020_100000761209 [0,0,0,1,0,0|2,0,1]=4 5349 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,1,0,0|1,0,0]=2 5350 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,1,0,0|2,0,0]=3 5351 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,0,0,1,0,0|3,0,0]=4 5352 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,0,0,1,0,0|2,0,0]=3 5353 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,1,0,0|3,0,0]=4 5354 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,1,0,0|2,0,0]=3 5355 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,0,0,1,0,0|3,0,0]=4 5356 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,0,0,1,0,0|3,0,0]=4 5357 B10R1.73 C=C(F)COCC1CC1C 34a_100000744939_100009893438 [0,0,0,1,0,0|3,0,0]=4 5358 B10R1.73 C=C(F)COCC1CC1C 7a_100000744939_100000042424 [0,0,0,1,0,0|3,0,0]=4 5359 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,0,0,1,0,0|2,0,1]=4 5360 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,0,0,1,0,0|2,0,1]=4 5361 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,0,0,1,0,0|2,0,0]=3 5362 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,0,0,1,0,0|2,0,0]=3 5363 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,0,0,1,0,0|1,0,1]=3 5364 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,0,0,1,0,0|2,0,1]=4 5365 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,0,0,1,0,0|2,0,1]=4 5366 B10R1.73 CC1CC1COC[N+](=O)[O-] 34a_100000744939_100000761209 [0,0,0,1,0,0|2,0,1]=4 5367 B10R1.73 NC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000744528 [0,0,0,1,0,0|3,0,0]=4 5368 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000744528 [0,0,0,1,0,0|3,0,0]=4 5369 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000731001 [0,0,0,1,0,0|3,0,0]=4 5370 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 5371 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 5372 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 5373 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 5374 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 5375 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 5376 B10R1.86 C#CCN1CCC1C(=O)O 269956a_100000021838_100000184674 [0,0,0,1,0,0|1,0,2]=4 5377 B10R1.86 C=CCN1CCC1C(=O)O 269956a_100000021838_100000210623 [0,0,0,1,0,0|1,0,2]=4 5378 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,0,0,1,0,0|1,0,0]=2 5379 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,0,0,1,0,0|3,0,0]=4 5380 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,0,0,1,0,0|3,0,0]=4 5381 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,0,0,1,0,0|3,0,0]=4 5382 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,0,0,1,0,0|3,0,0]=4 5383 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,0,0,1,0,0|2,0,0]=3 5384 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,0,0,1,0,0|2,0,0]=3 5385 B10R1.86 N#CCN1CCC1C(=O)O 269956a_100000021838_100011215382 [0,0,0,1,0,0|2,0,1]=4 5386 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,0,0,1,0,0|2,0,0]=3 5387 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,0,0,1,0,0|2,0,0]=3 5388 B10R1.86 O=CCN1CCC1C(=O)O 269956a_100000021838_200015260668 [0,0,0,1,0,0|2,0,1]=4 5389 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [0,0,0,1,0,0|3,0,0]=4 5390 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [0,0,0,1,0,0|3,0,0]=4 5391 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,0,0,1,0,0|2,0,1]=4 5392 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,0,0,1,0,0|2,0,0]=3 5393 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,0,0,1,0,0|3,0,0]=4 5394 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,0,0,1,0,0|3,0,0]=4 5395 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,0,0,1,0,0|2,0,1]=4 5396 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,0,0,1,0,0|2,0,1]=4 5397 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,0,0,1,0,0|2,0,0]=3 5398 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,0,0,1,0,0|2,0,0]=3 5399 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,0|2,0,1]=4 5400 B10R1.126 C=C(Br)CCOCC1CC1 34a_100009813270_100000742324 [0,0,0,1,0,0|3,0,0]=4 5401 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [0,0,0,1,0,0|3,0,0]=4 5402 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [0,0,0,1,0,0|3,0,0]=4 5403 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,0,0,1,0,0|3,0,0]=4 5404 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,0,0,1,0,0|3,0,0]=4 5405 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [0,0,0,1,0,0|3,0,0]=4 5406 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [0,0,0,1,0,0|3,0,0]=4 5407 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [0,0,0,1,0,0|3,0,0]=4 5408 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,0,0,1,0,0|3,0,0]=4 5409 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,0,0,1,0,0|3,0,0]=4 5410 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,0,0,1,0,0|3,0,0]=4 5411 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [0,0,0,1,0,0|3,0,0]=4 5412 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [0,0,0,1,0,0|3,0,0]=4 5413 B10R1.126 C=C(F)CNCCC1CC1 34a_100000764129_100009893438 [0,0,0,1,0,0|3,0,0]=4 5414 B10R1.126 C=C(F)COCCC1CC1 34a_100000754188_100009893438 [0,0,0,1,0,0|3,0,0]=4 5415 B10R1.126 C=C(F)COCCC1CC1 34a_200010262243_100000694398 [0,0,0,1,0,0|3,0,0]=4 5416 B10R1.126 C=C(F)COCCC1CC1 7a_100000754188_100000042424 [0,0,0,1,0,0|3,0,0]=4 5417 B10R1.126 C=C(F)CSCCC1CC1 62a_100000042424_100000764125 [0,0,0,1,0,0|3,0,0]=4 5418 B10R1.126 C=C(F)CSCCC1CC1 62a_100000764125_100000042424 [0,0,0,1,0,0|3,0,0]=4 5419 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,0,1,0,0|2,0,0]=3 5420 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,0,1,0,0|2,0,0]=3 5421 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,0,1,0,0|2,0,0]=3 5422 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,0,0,1,0,0|2,0,0]=3 5423 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,0,0,1,0,0|2,0,0]=3 5424 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,0,0,1,0,0|3,0,0]=4 5425 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,0,0,1,0,0|3,0,0]=4 5426 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,0,0,1,0,0|3,0,0]=4 5427 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,0,0,1,0,0|3,0,0]=4 5428 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,0,0,1,0,0|2,0,0]=3 5429 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,0,0,1,0,0|2,0,0]=3 5430 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,0,0,1,0,0|3,0,0]=4 5431 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,0,0,1,0,0|3,0,0]=4 5432 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,0,0,1,0,0|3,0,0]=4 5433 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,0,0,1,0,0|3,0,0]=4 5434 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,0,0,1,0,0|3,0,0]=4 5435 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,0,0,1,0,0|3,0,0]=4 5436 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,0,0,1,0,0|2,0,0]=3 5437 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,0,0,1,0,0|3,0,0]=4 5438 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,0,0,1,0,0|3,0,0]=4 5439 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,0,0,1,0,0|3,0,0]=4 5440 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,0,0,1,0,0|3,0,0]=4 5441 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,0,0,1,0,0|3,0,0]=4 5442 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,0,0,1,0,0|3,0,0]=4 5443 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,0,0,1,0,0|3,0,0]=4 5444 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,0,0,1,0,0|3,0,0]=4 5445 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,0,0,1,0,0|3,0,0]=4 5446 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [0,0,0,1,0,0|2,0,1]=4 5447 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [0,0,0,1,0,0|2,0,1]=4 5448 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [0,0,0,1,0,0|2,0,1]=4 5449 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [0,0,0,1,0,0|2,0,1]=4 5450 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [0,0,0,1,0,0|2,0,1]=4 5451 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [0,0,0,1,0,0|2,0,1]=4 5452 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,0,0,1,0,0|2,0,1]=4 5453 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [0,0,0,1,0,0|2,0,1]=4 5454 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [0,0,0,1,0,0|2,0,1]=4 5455 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,0,0,1,0,0|2,0,1]=4 5456 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,0,0,1,0,0|2,0,1]=4 5457 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,0,0,1,0,0|2,0,1]=4 5458 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,0,0,1,0,0|2,0,1]=4 5459 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,0,0,1,0,0|2,0,1]=4 5460 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,0,0,1,0,0|2,0,1]=4 5461 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,0,0,1,0,0|2,0,1]=4 5462 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,0,0,1,0,0|2,0,1]=4 5463 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,0,0,1,0,0|2,0,1]=4 5464 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,0,0,1,0,0|2,0,1]=4 5465 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,0,0,1,0,0|2,0,1]=4 5466 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,0,0,1,0,0|2,0,1]=4 5467 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,0,0,1,0,0|2,0,0]=3 5468 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,0,0,1,0,0|2,0,0]=3 5469 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,0,0,1,0,0|2,0,0]=3 5470 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,0,0,1,0,0|2,0,0]=3 5471 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,0,0,1,0,0|2,0,0]=3 5472 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,0,0,1,0,0|2,0,0]=3 5473 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,0,0,1,0,0|2,0,0]=3 5474 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,0,0,1,0,0|2,0,0]=3 5475 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,0,0,1,0,0|2,0,0]=3 5476 B10R1.126 NC(=O)CCOCC1CO1 34a_100000757172_102125554688 [0,0,0,1,0,0|3,0,0]=4 5477 B10R1.126 NC(=O)CCOCC1CO1 7a_100000757172_102125554688 [0,0,0,1,0,0|3,0,0]=4 5478 B10R1.126 NC(=O)CCOCC1CS1 7a_100000757172_100000031435 [0,0,0,1,0,0|3,0,0]=4 5479 B10R1.126 NC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000731001 [0,0,0,1,0,0|3,0,0]=4 5480 B10R1.126 NC(=O)CCOC[C@@H]1CO1 7a_100000757172_100000745022 [0,0,0,1,0,0|3,0,0]=4 5481 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,0,0,1,0,0|2,0,0]=3 5482 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,0,0,1,0,0|2,0,0]=3 5483 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [0,0,0,1,0,0|3,0,0]=4 5484 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [0,0,0,1,0,0|3,0,0]=4 5485 B10R1.126 NC(=O)CCSCC1CS1 62a_100000031435_100000744528 [0,0,0,1,0,0|3,0,0]=4 5486 B10R1.126 NC(=O)CCSCC1CS1 62a_100000744528_100000031435 [0,0,0,1,0,0|3,0,0]=4 5487 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [0,0,0,1,0,0|3,0,0]=4 5488 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [0,0,0,1,0,0|3,0,0]=4 5489 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,0,0,1,0,0|2,0,0]=3 5490 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,0,0,1,0,0|2,0,0]=3 5491 B10R1.126 NC(=O)CNCCC1CO1 2230a_100000711301_100000732470 [0,0,0,1,0,0|3,0,0]=4 5492 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,0,0,1,0,0|2,0,0]=3 5493 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,0,0,1,0,0|2,0,0]=3 5494 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [0,0,0,1,0,0|3,0,0]=4 5495 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,0,0,1,0,0|2,0,0]=3 5496 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,0,0,1,0,0|2,0,0]=3 5497 B10R1.126 NC(=O)CSCCC1CO1 62a_100000732470_100000747473 [0,0,0,1,0,0|3,0,0]=4 5498 B10R1.126 NC(=O)CSCCC1CO1 62a_100000747473_100000732470 [0,0,0,1,0,0|3,0,0]=4 5499 B10R1.126 NC(=O)NCCNC1CC1 34a_100020590234_100000211595 [0,0,0,1,0,0|3,0,0]=4 5500 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [0,0,0,1,0,0|3,0,0]=4 5501 B10R1.126 NC(=O)NCCSC1CC1 62a_200000034859_100000211595 [0,0,0,1,0,0|3,0,0]=4 5502 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,0,0,1,0,0|3,0,0]=4 5503 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,0,0,1,0,0|3,0,0]=4 5504 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,0,0,1,0,0|1,0,0]=2 5505 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,0,0,1,0,0|2,0,0]=3 5506 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,0,0,1,0,0|2,0,0]=3 5507 B10R1.126 O=C(O)CONCC1CO1 269956a_100000106656_102125554688 [0,0,0,1,0,0|3,0,0]=4 5508 B10R1.126 O=C(O)CONCC1CS1 269956a_100000106656_100000031435 [0,0,0,1,0,0|3,0,0]=4 5509 B10R1.126 O=C(O)CONC[C@@H]1CO1 269956a_100000106656_100000745022 [0,0,0,1,0,0|3,0,0]=4 5510 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,0,0,1,0,0|1,0,1]=3 5511 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,0,0,1,0,0|1,0,1]=3 5512 B10R1.126 O=C([O-])COCC[C@@H]1CO1 34a_100009820653_100020667443 [0,0,0,1,0,0|2,0,1]=4 5513 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,0,0,1,0,0|1,0,1]=3 5514 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,0,0,1,0,0|1,0,1]=3 5515 B10R1.126 O=C([O-])CSCCC1CO1 62a_100000732470_100020667443 [0,0,0,1,0,0|2,0,1]=4 5516 B10R1.126 O=C([O-])CSCCC1CO1 62a_100020667443_100000732470 [0,0,0,1,0,0|2,0,1]=4 5517 B10R1.126 O=[N+]([O-])CCCOC1CC1 34a_200000037920_100000211595 [0,0,0,1,0,0|2,0,1]=4 5518 B10R1.126 O=[N+]([O-])CNCCC1CC1 34a_100000764129_100000761209 [0,0,0,1,0,0|2,0,1]=4 5519 B10R1.126 O=[N+]([O-])COCCC1CC1 34a_100000754188_100000761209 [0,0,0,1,0,0|2,0,1]=4 5520 B10R1.126 O=[N+]([O-])CSCCC1CC1 62a_100000764125_100000761209 [0,0,0,1,0,0|2,0,1]=4 5521 B10R1.127 C=C(Br)CCOC1CCC1 34a_100009813270_100000749161 [0,0,0,1,0,0|3,0,0]=4 5522 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [0,0,0,1,0,0|3,0,0]=4 5523 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [0,0,0,1,0,0|3,0,0]=4 5524 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [0,0,0,1,0,0|3,0,0]=4 5525 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [0,0,0,1,0,0|3,0,0]=4 5526 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [0,0,0,1,0,0|3,0,0]=4 5527 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [0,0,0,1,0,0|3,0,0]=4 5528 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [0,0,0,1,0,0|3,0,0]=4 5529 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [0,0,0,1,0,0|3,0,0]=4 5530 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [0,0,0,1,0,0|3,0,0]=4 5531 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [0,0,0,1,0,0|3,0,0]=4 5532 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [0,0,0,1,0,0|3,0,0]=4 5533 B10R1.127 C=C(F)CNCC1CCC1 2230a_100000738700_100009893438 [0,0,0,1,0,0|3,0,0]=4 5534 B10R1.127 C=C(F)CNCC1CCC1 34a_100000738700_100009893438 [0,0,0,1,0,0|3,0,0]=4 5535 B10R1.127 C=C(F)COCC1CCC1 34a_100000760304_100009893438 [0,0,0,1,0,0|3,0,0]=4 5536 B10R1.127 C=C(F)COCC1CCC1 34a_200010262243_100000763275 [0,0,0,1,0,0|3,0,0]=4 5537 B10R1.127 C=C(F)CSCC1CCC1 62a_100000042424_100000763275 [0,0,0,1,0,0|3,0,0]=4 5538 B10R1.127 C=C(F)CSCC1CCC1 62a_100000763275_100000042424 [0,0,0,1,0,0|3,0,0]=4 5539 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,0,1,0,0|2,0,0]=3 5540 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,0,0,1,0,0|2,0,0]=3 5541 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,0,0,1,0,0|3,0,0]=4 5542 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,0,0,1,0,0|3,0,0]=4 5543 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,0,0,1,0,0|3,0,0]=4 5544 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,0,0,1,0,0|2,0,0]=3 5545 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,0,0,1,0,0|3,0,0]=4 5546 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,0,0,1,0,0|2,0,0]=3 5547 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,0,0,1,0,0|3,0,0]=4 5548 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,0,0,1,0,0|3,0,0]=4 5549 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,0,0,1,0,0|3,0,0]=4 5550 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,0,0,1,0,0|3,0,0]=4 5551 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,0,0,1,0,0|3,0,0]=4 5552 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,0,0,1,0,0|3,0,0]=4 5553 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,0,0,1,0,0|3,0,0]=4 5554 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,0,0,1,0,0|3,0,0]=4 5555 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,0,0,1,0,0|3,0,0]=4 5556 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,0,0,1,0,0|2,0,1]=4 5557 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [0,0,0,1,0,0|2,0,1]=4 5558 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [0,0,0,1,0,0|2,0,1]=4 5559 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [0,0,0,1,0,0|2,0,1]=4 5560 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,0,0,1,0,0|2,0,1]=4 5561 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [0,0,0,1,0,0|2,0,1]=4 5562 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [0,0,0,1,0,0|2,0,1]=4 5563 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [0,0,0,1,0,0|2,0,1]=4 5564 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [0,0,0,1,0,0|2,0,1]=4 5565 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [0,0,0,1,0,0|2,0,1]=4 5566 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [0,0,0,1,0,0|2,0,1]=4 5567 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [0,0,0,1,0,0|2,0,1]=4 5568 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [0,0,0,1,0,0|2,0,1]=4 5569 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [0,0,0,1,0,0|2,0,1]=4 5570 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [0,0,0,1,0,0|2,0,1]=4 5571 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [0,0,0,1,0,0|2,0,1]=4 5572 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [0,0,0,1,0,0|2,0,1]=4 5573 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [0,0,0,1,0,0|2,0,1]=4 5574 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [0,0,0,1,0,0|2,0,1]=4 5575 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,0,0,1,0,0|2,0,0]=3 5576 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,0,0,1,0,0|2,0,0]=3 5577 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,0,0,1,0,0|2,0,0]=3 5578 B10R1.127 NC(=O)CCNC1COC1 2230a_100016991112_100000744528 [0,0,0,1,0,0|3,0,0]=4 5579 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,0,0,1,0,0|2,0,0]=3 5580 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,0,0,1,0,0|2,0,0]=3 5581 B10R1.127 NC(=O)CCOC1COC1 34a_100000757172_100009818527 [0,0,0,1,0,0|3,0,0]=4 5582 B10R1.127 NC(=O)CCOC1COC1 7a_100000757172_100009818527 [0,0,0,1,0,0|3,0,0]=4 5583 B10R1.127 NC(=O)CCOC1CSC1 7a_100000072292_100000744528 [0,0,0,1,0,0|3,0,0]=4 5584 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,0,0,1,0,0|2,0,0]=3 5585 B10R1.127 NC(=O)CCSC1COC1 62a_100000744528_100009818527 [0,0,0,1,0,0|3,0,0]=4 5586 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,0,0,1,0,0|2,0,0]=3 5587 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,0,0,1,0,0|2,0,0]=3 5588 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,0,0,1,0,0|2,0,0]=3 5589 B10R1.127 NC(=O)CNCC1CCO1 2230a_100000711301_100000103362 [0,0,0,1,0,0|3,0,0]=4 5590 B10R1.127 NC(=O)CNCC1COC1 2230a_100000711301_100010264016 [0,0,0,1,0,0|3,0,0]=4 5591 B10R1.127 NC(=O)CNCC1COC1 2230a_100015281925_100000747473 [0,0,0,1,0,0|3,0,0]=4 5592 B10R1.127 NC(=O)CNCC1COC1 34a_100015281925_100000187820 [0,0,0,1,0,0|3,0,0]=4 5593 B10R1.127 NC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747473 [0,0,0,1,0,0|3,0,0]=4 5594 B10R1.127 NC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000187820 [0,0,0,1,0,0|3,0,0]=4 5595 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,0,0,1,0,0|2,0,0]=3 5596 B10R1.127 NC(=O)COCC1CCO1 34a_100000039022_100000187820 [0,0,0,1,0,0|3,0,0]=4 5597 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [0,0,0,1,0,0|3,0,0]=4 5598 B10R1.127 NC(=O)COCC1COC1 34a_100000060846_100000187820 [0,0,0,1,0,0|3,0,0]=4 5599 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,0,0,1,0,0|2,0,0]=3 5600 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,0,0,1,0,0|2,0,0]=3 5601 B10R1.127 NC(=O)CSCC1CCO1 62a_100000103362_100000747473 [0,0,0,1,0,0|3,0,0]=4 5602 B10R1.127 NC(=O)CSCC1CCO1 62a_100000747473_100000103362 [0,0,0,1,0,0|3,0,0]=4 5603 B10R1.127 NC(=O)CSCC1COC1 62a_100000747473_100010264016 [0,0,0,1,0,0|3,0,0]=4 5604 B10R1.127 NC(=O)CSCC1COC1 62a_100010264016_100000747473 [0,0,0,1,0,0|3,0,0]=4 5605 B10R1.127 NC(=O)NCCN1CCC1 269982a_100000754969_200000034859 [0,0,0,1,0,0|3,0,0]=4 5606 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,0,0,1,0,0|3,0,0]=4 5607 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,0,0,1,0,0|1,0,0]=2 5608 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,0,0,1,0,0|2,0,0]=3 5609 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,0,0,1,0,0|2,0,0]=3 5610 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,0,0,1,0,0|2,0,0]=3 5611 B10R1.127 O=C(O)CONC1COC1 269956a_100000106656_100009818527 [0,0,0,1,0,0|3,0,0]=4 5612 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,0,0,1,0,0|1,0,1]=3 5613 B10R1.127 O=C([O-])CNCC1COC1 34a_100015281925_100020667443 [0,0,0,1,0,0|2,0,1]=4 5614 B10R1.127 O=C([O-])CNC[C@@H]1CCO1 34a_100020831831_100020667443 [0,0,0,1,0,0|2,0,1]=4 5615 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,0,0,1,0,0|1,0,1]=3 5616 B10R1.127 O=C([O-])COCC1CCO1 34a_100000039022_100020667443 [0,0,0,1,0,0|2,0,1]=4 5617 B10R1.127 O=C([O-])COCC1CNC1 34a_100016987283_100020667443 [0,0,0,1,0,0|2,0,1]=4 5618 B10R1.127 O=C([O-])COCC1COC1 34a_100000060846_100020667443 [0,0,0,1,0,0|2,0,1]=4 5619 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,0,0,1,0,0|1,0,1]=3 5620 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,0,0,1,0,0|1,0,1]=3 5621 B10R1.127 O=C([O-])CSCC1CCO1 62a_100000103362_100020667443 [0,0,0,1,0,0|2,0,1]=4 5622 B10R1.127 O=C([O-])CSCC1CCO1 62a_100020667443_100000103362 [0,0,0,1,0,0|2,0,1]=4 5623 B10R1.127 O=C([O-])CSCC1COC1 62a_100010264016_100020667443 [0,0,0,1,0,0|2,0,1]=4 5624 B10R1.127 O=C([O-])CSCC1COC1 62a_100020667443_100010264016 [0,0,0,1,0,0|2,0,1]=4 5625 B10R1.127 O=[N+]([O-])CNCC1CCC1 34a_100000738700_100000761209 [0,0,0,1,0,0|2,0,1]=4 5626 B10R1.127 O=[N+]([O-])COCC1CCC1 34a_100000760304_100000761209 [0,0,0,1,0,0|2,0,1]=4 5627 B10R1.127 O=[N+]([O-])CSCC1CCC1 62a_100000763275_100000761209 [0,0,0,1,0,0|2,0,1]=4 5628 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [0,0,0,1,0,0|2,0,1]=4 5629 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [0,0,0,1,0,0|2,0,1]=4 5630 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,0,0,1,0,0|2,0,1]=4 5631 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,0,0,1,0,0|2,0,1]=4 5632 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,0,0,1,0,0|3,0,0]=4 5633 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,0,0,1,0,0|2,0,1]=4 5634 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,0,0,1,0,0|2,0,1]=4 5635 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,0,0,1,0,0|2,0,1]=4 5636 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,0,0,1,0,0|2,0,1]=4 5637 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,0,0,1,0,0|2,0,1]=4 5638 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,0,0,1,0,0|2,0,1]=4 5639 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,0,0,1,0,0|2,0,1]=4 5640 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,0,0,1,0,0|2,0,1]=4 5641 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,0,0,1,0,0|2,0,1]=4 5642 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,0,0,1,0,0|2,0,1]=4 5643 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,0,0,1,0,0|2,0,1]=4 5644 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,0,0,1,0,0|2,0,1]=4 5645 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,0,0,1,0,0|2,0,1]=4 5646 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,0,0,1,0,0|2,0,1]=4 5647 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,0,0,1,0,0|2,0,1]=4 5648 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,0,0,1,0,0|2,0,1]=4 5649 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,0,0,1,0,0|2,0,1]=4 5650 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,0,0,1,0,0|2,0,1]=4 5651 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,0,0,1,0,0|2,0,1]=4 5652 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,1,0,0|1,0,2]=4 5653 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,0]=2 5654 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,0]=2 5655 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 5656 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 5657 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 5658 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|2,0,0]=3 5659 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 5660 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 5661 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 5662 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,1,0,0|3,0,0]=4 5663 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 5664 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 5665 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,0,0,1,0,0|3,0,0]=4 5666 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,0,0,1,0,0|3,0,0]=4 5667 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 5668 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 5669 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 5670 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 5671 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,1,0,0|1,0,2]=4 5672 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,0]=2 5673 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 5674 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 5675 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 5676 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|1,0,1]=4 5677 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 5678 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 5679 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 5680 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 5681 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|1,0,1]=4 5682 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 5683 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 5684 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 5685 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|1,0,1]=4 5686 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|1,0,1]=4 5687 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|1,0,1]=4 5688 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|1,0,1]=4 5689 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 5690 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|1,0,1]=4 5691 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 5692 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 5693 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|1,0,1]=4 5694 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 5695 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|1,0,1]=4 5696 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|1,0,1]=4 5697 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|1,0,1]=4 5698 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|1,0,1]=4 5699 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|1,0,1]=4 5700 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|1,0,1]=4 5701 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|1,0,1]=4 5702 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|1,0,1]=4 5703 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|1,0,1]=4 5704 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|1,0,1]=4 5705 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 5706 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|1,0,1]=4 5707 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 5708 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|1,0,1]=4 5709 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|1,0,1]=4 5710 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,1]=4 5711 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 5712 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,1]=4 5713 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 5714 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,1]=4 5715 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 5716 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,1]=4 5717 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 5718 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 5719 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 5720 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,1]=4 5721 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,1]=4 5722 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,1]=4 5723 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,1]=4 5724 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,1]=4 5725 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,1]=4 5726 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,1]=4 5727 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,1]=4 5728 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,1]=4 5729 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 5730 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 5731 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,1]=4 5732 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,1]=4 5733 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 5734 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 5735 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,0]=3 5736 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,0]=3 5737 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 5738 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 5739 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 5740 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 5741 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 5742 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,0]=3 5743 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,0]=3 5744 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,0]=3 5745 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,0]=3 5746 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,0]=3 5747 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,0]=3 5748 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 5749 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 5750 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,1]=4 5751 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 5752 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 5753 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 5754 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 5755 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 5756 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 5757 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,0]=3 5758 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,0]=3 5759 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,1]=4 5760 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,1]=4 5761 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 5762 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 5763 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,0]=3 5764 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,0]=3 5765 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 5766 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 5767 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 5768 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 5769 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 5770 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 5771 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 5772 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,0]=3 5773 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 5774 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 5775 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,0]=3 5776 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,0]=3 5777 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,0]=3 5778 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 5779 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 5780 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,0]=3 5781 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 5782 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 5783 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 5784 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 5785 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 5786 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 5787 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 5788 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 5789 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 5790 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,0]=3 5791 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [2,0,0,0,0,0|2,0,0]=4 5792 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [2,0,0,0,0,0|2,0,0]=4 5793 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|2,0,0]=4 5794 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|2,0,0]=4 5795 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,0]=3 5796 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,0]=3 5797 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 5798 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 5799 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,0]=3 5800 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 5801 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 5802 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 5803 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 5804 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 5805 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 5806 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 5807 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 5808 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 5809 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,0]=3 5810 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 5811 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 5812 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 5813 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 5814 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|2,0,0]=4 5815 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 5816 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [2,0,0,0,0,0|2,0,0]=4 5817 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 5818 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 5819 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 5820 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 5821 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 5822 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 5823 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 5824 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 5825 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,0]=3 5826 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [2,0,0,0,0,0|2,0,0]=4 5827 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [2,0,0,0,0,0|2,0,0]=4 5828 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [2,0,0,0,0,0|2,0,0]=4 5829 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [2,0,0,0,0,0|2,0,0]=4 5830 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [2,0,0,0,0,0|2,0,0]=4 5831 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|2,0,0]=4 5832 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|2,0,0]=4 5833 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [2,0,0,0,0,0|2,0,0]=4 5834 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [2,0,0,0,0,0|2,0,0]=4 5835 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [2,0,0,0,0,0|2,0,0]=4 5836 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [2,0,0,0,0,0|2,0,0]=4 5837 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [2,0,0,0,0,0|2,0,0]=4 5838 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [2,0,0,0,0,0|2,0,0]=4 5839 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,0]=3 5840 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,0]=3 5841 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 5842 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 5843 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,0]=3 5844 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,0]=3 5845 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [2,0,0,0,0,0|2,0,0]=4 5846 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [2,0,0,0,0,0|2,0,0]=4 5847 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [2,0,0,0,0,0|2,0,0]=4 5848 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [2,0,0,0,0,0|2,0,0]=4 5849 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [2,0,0,0,0,0|2,0,0]=4 5850 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [2,0,0,0,0,0|2,0,0]=4 5851 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 5852 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 5853 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|2,0,0]=4 5854 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 5855 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [2,0,0,0,0,0|2,0,0]=4 5856 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [2,0,0,0,0,0|2,0,0]=4 5857 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [2,0,0,0,0,0|2,0,0]=4 5858 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [2,0,0,0,0,0|2,0,0]=4 5859 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [2,0,0,0,0,0|2,0,0]=4 5860 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [2,0,0,0,0,0|2,0,0]=4 5861 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 5862 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|2,0,0]=4 5863 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|2,0,0]=4 5864 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 5865 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 5866 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 5867 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 5868 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 5869 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 5870 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 5871 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 5872 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 5873 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 5874 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 5875 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 5876 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 5877 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [2,0,0,0,0,0|2,0,0]=4 5878 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [2,0,0,0,0,0|2,0,0]=4 5879 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [2,0,0,0,0,0|2,0,0]=4 5880 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [2,0,0,0,0,0|2,0,0]=4 5881 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [2,0,0,0,0,0|2,0,0]=4 5882 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [2,0,0,0,0,0|2,0,0]=4 5883 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [2,0,0,0,0,0|2,0,0]=4 5884 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|2,0,0]=4 5885 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|2,0,0]=4 5886 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 5887 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [2,0,0,0,0,0|2,0,0]=4 5888 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 5889 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [2,0,0,0,0,0|2,0,0]=4 5890 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|2,0,0]=4 5891 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|2,0,0]=4 5892 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|2,0,0]=4 5893 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [2,0,0,0,0,0|2,0,0]=4 5894 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [2,0,0,0,0,0|2,0,0]=4 5895 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 5896 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 5897 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 5898 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 5899 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [2,0,0,0,0,0|2,0,0]=4 5900 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 5901 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 5902 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 5903 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 5904 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 5905 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 5906 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 5907 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,0]=3 5908 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,0]=3 5909 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 5910 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 5911 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,0]=3 5912 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,0]=3 5913 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 5914 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|2,0,0]=4 5915 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 5916 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|2,0,0]=4 5917 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|2,0,0]=4 5918 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 5919 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 5920 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|2,0,0]=4 5921 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|2,0,0]=4 5922 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,0]=3 5923 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,0]=3 5924 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,0]=3 5925 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 5926 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 5927 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 5928 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|2,0,0]=4 5929 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 5930 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,0]=3 5931 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|2,0,0]=4 5932 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|2,0,0]=4 5933 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 5934 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|2,0,0]=4 5935 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|1,0,1]=4 5936 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|2,0,0]=4 5937 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 5938 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 5939 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|2,0,0]=4 5940 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|1,0,1]=4 5941 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|1,0,1]=4 5942 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 5943 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 5944 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|2,0,0]=4 5945 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|2,0,0]=4 5946 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 5947 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 5948 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 5949 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 5950 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 5951 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|2,0,0]=4 5952 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|2,0,0]=4 5953 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|2,0,0]=4 5954 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|2,0,0]=4 5955 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|2,0,0]=4 5956 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 5957 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 5958 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|2,0,0]=4 5959 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 5960 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 5961 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 5962 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 5963 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 5964 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|2,0,0]=4 5965 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|2,0,0]=4 5966 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 5967 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|2,0,0]=4 5968 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 5969 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 5970 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|2,0,0]=4 5971 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|2,0,0]=4 5972 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|2,0,0]=4 5973 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|2,0,0]=4 5974 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|2,0,0]=4 5975 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 5976 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 5977 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|2,0,0]=4 5978 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|2,0,0]=4 5979 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 5980 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|2,0,0]=4 5981 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|2,0,0]=4 5982 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 5983 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 5984 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 5985 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|1,0,1]=4 5986 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|1,0,1]=4 5987 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,1,0,0,0,0|2,0,0]=4 5988 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,1,0,0,0,0|2,0,0]=4 5989 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|1,0,1]=4 5990 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|1,0,1]=4 5991 B9R0.5 C=CCCCN(C)CCC 2230a_100000747261_100011713584 [1,1,0,0,0,0|2,0,0]=4 5992 B9R0.5 C=CCCCN(C)CCC 269982a_100000747261_100000757094 [1,1,0,0,0,0|2,0,0]=4 5993 B9R0.5 C=CCCNC(C)CCC 2230a_100000741246_100000754431 [1,1,0,0,0,0|2,0,0]=4 5994 B9R0.5 C=CCCNC(C)CCC 2230a_100015191253_100000766640 [1,1,0,0,0,0|2,0,0]=4 5995 B9R0.5 C=CCCNC(C)CCC 270004a_100015191253_100000211909 [1,1,0,0,0,0|2,0,0]=4 5996 B9R0.5 C=CCCOC(C)CCC 34a_100000764384_100000754431 [1,1,0,0,0,0|2,0,0]=4 5997 B9R0.5 C=CCCOC(C)CCC 34a_100011205117_100000766640 [1,1,0,0,0,0|2,0,0]=4 5998 B9R0.5 C=CCCOC(C)CCC 7a_100000764384_100000754431 [1,1,0,0,0,0|2,0,0]=4 5999 B9R0.5 C=CCCSC(C)CCC 62a_100000754431_100000766640 [1,1,0,0,0,0|2,0,0]=4 6000 B9R0.5 C=CCCSC(C)CCC 62a_100000766640_100000754431 [1,1,0,0,0,0|2,0,0]=4 6001 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,1,0,0,0,0|2,0,0]=4 6002 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,1,0,0,0,0|2,0,0]=4 6003 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,1,0,0,0,0|2,0,0]=4 6004 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,1,0,0,0,0|2,0,0]=4 6005 B9R0.5 C=CCNCC(C)CCC 2230a_100020586998_100011216630 [1,1,0,0,0,0|2,0,0]=4 6006 B9R0.5 C=CCNCC(C)CCC 270004a_100020586998_100000243154 [1,1,0,0,0,0|2,0,0]=4 6007 B9R0.5 C=CCOCC(C)CCC 34a_100000688023_100015514636 [1,1,0,0,0,0|2,0,0]=4 6008 B9R0.5 C=CCOCC(C)CCC 34a_200000210373_100011216630 [1,1,0,0,0,0|2,0,0]=4 6009 B9R0.5 C=CCOCC(C)CCC 7a_100000688023_100015514636 [1,1,0,0,0,0|2,0,0]=4 6010 B9R0.5 C=CCOC[C@@H](N)CCC 34a_100000732646_100015514636 [1,1,0,0,0,0|2,0,0]=4 6011 B9R0.5 C=CCSCC(C)CCC 62a_100000210623_100011216630 [1,1,0,0,0,0|2,0,0]=4 6012 B9R0.5 C=CCSCC(C)CCC 62a_100011216630_100000210623 [1,1,0,0,0,0|2,0,0]=4 6013 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,1,0,0,0,0|2,0,0]=4 6014 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,1,0,0,0,0|2,0,0]=4 6015 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [1,1,0,0,0,0|2,0,0]=4 6016 B9R0.5 CC(CCN)COCC=O 34a_106354213184_200009817547 [1,1,0,0,0,0|2,0,0]=4 6017 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,2]=4 6018 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,2]=4 6019 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,1,0,0,0,0|1,0,1]=4 6020 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,1,0,0,0,0|1,0,1]=4 6021 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|2,0,0]=4 6022 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|2,0,0]=4 6023 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|2,0,0]=4 6024 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|2,0,0]=4 6025 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|1,0,1]=4 6026 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|1,0,1]=4 6027 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|1,0,1]=4 6028 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,1,0,0,0,0|1,0,0]=3 6029 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,1,0,0,0,0|1,0,0]=3 6030 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,1]=4 6031 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,1]=4 6032 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [1,1,0,0,0,0|1,0,0]=3 6033 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [1,1,0,0,0,0|1,0,0]=3 6034 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,0,1]=4 6035 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,0,1]=4 6036 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|1,0,1]=4 6037 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|1,0,1]=4 6038 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|1,0,1]=4 6039 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|1,0,1]=4 6040 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|1,0,1]=4 6041 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|1,0,1]=4 6042 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|0,0,2]=4 6043 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|0,0,2]=4 6044 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,1,0,0,0,0|1,0,0]=3 6045 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,1,0,0,0,0|1,0,0]=3 6046 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|1,0,1]=4 6047 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|1,0,1]=4 6048 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 6049 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|1,0,1]=4 6050 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|1,0,1]=4 6051 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 6052 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 6053 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 6054 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|1,0,1]=4 6055 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|1,0,1]=4 6056 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|1,0,1]=4 6057 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 6058 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 6059 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 6060 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,0,1]=4 6061 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 6062 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [1,1,0,0,0,0|1,0,0]=3 6063 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [1,1,0,0,0,0|1,0,0]=3 6064 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|1,0,1]=4 6065 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|1,0,1]=4 6066 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|1,0,1]=4 6067 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|1,0,1]=4 6068 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [1,1,0,0,0,0|1,0,0]=3 6069 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,1]=4 6070 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 6071 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [1,1,0,0,0,0|2,0,0]=4 6072 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [1,1,0,0,0,0|2,0,0]=4 6073 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [1,1,0,0,0,0|2,0,0]=4 6074 B9R0.5 COCC(N)COCC=O 34a_100000724102_200009817547 [1,1,0,0,0,0|2,0,0]=4 6075 B9R0.5 COCC(O)CNCC=O 2230a_100000756049_200015260668 [1,1,0,0,0,0|2,0,0]=4 6076 B9R0.5 COCC(O)CNCC=O 34a_100000756049_200009817547 [1,1,0,0,0,0|2,0,0]=4 6077 B9R0.5 COCC(O)CSCC=O 62a_100011215053_200015260668 [1,1,0,0,0,0|2,0,0]=4 6078 B9R0.5 COCC(O)CSCC=O 62a_200015260668_100011215053 [1,1,0,0,0,0|2,0,0]=4 6079 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [1,1,0,0,0,0|2,0,0]=4 6080 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [1,1,0,0,0,0|2,0,0]=4 6081 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|1,0,1]=4 6082 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|1,0,1]=4 6083 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [1,1,0,0,0,0|2,0,0]=4 6084 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [1,1,0,0,0,0|2,0,0]=4 6085 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [1,1,0,0,0,0|2,0,0]=4 6086 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [1,1,0,0,0,0|2,0,0]=4 6087 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [1,1,0,0,0,0|2,0,0]=4 6088 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [1,1,0,0,0,0|2,0,0]=4 6089 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [1,1,0,0,0,0|2,0,0]=4 6090 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [1,1,0,0,0,0|2,0,0]=4 6091 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [1,1,0,0,0,0|2,0,0]=4 6092 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [1,1,0,0,0,0|2,0,0]=4 6093 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [1,1,0,0,0,0|2,0,0]=4 6094 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [1,1,0,0,0,0|2,0,0]=4 6095 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [1,1,0,0,0,0|2,0,0]=4 6096 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [1,1,0,0,0,0|2,0,0]=4 6097 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [1,1,0,0,0,0|2,0,0]=4 6098 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [1,1,0,0,0,0|2,0,0]=4 6099 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [1,1,0,0,0,0|2,0,0]=4 6100 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,2]=4 6101 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [1,1,0,0,0,0|1,0,0]=3 6102 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|1,0,1]=4 6103 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|1,0,1]=4 6104 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|1,0,1]=4 6105 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|1,0,1]=4 6106 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,1,0,0,0,0|1,0,0]=3 6107 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,1,0,0,0,0|1,0,0]=3 6108 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 6109 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 6110 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [1,1,0,0,0,0|1,0,0]=3 6111 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [1,1,0,0,0,0|1,0,0]=3 6112 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,0,1]=4 6113 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,0,1]=4 6114 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|1,0,1]=4 6115 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|1,0,1]=4 6116 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|1,0,1]=4 6117 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|1,0,1]=4 6118 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 6119 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 6120 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [1,1,0,0,0,0|2,0,0]=4 6121 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [1,1,0,0,0,0|2,0,0]=4 6122 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,1,0,0,0,0|1,0,1]=4 6123 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,1,0,0,0,0|1,0,1]=4 6124 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,1,0,0,0,0|1,0,1]=4 6125 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,1,0,0,0,0|1,0,1]=4 6126 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,1,0,0,0,0|1,0,1]=4 6127 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,1,0,0,0,0|1,0,1]=4 6128 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,1,0,0,0,0|1,0,1]=4 6129 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,1,0,0,0,0|1,0,1]=4 6130 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,1,0,0,0,0|1,0,1]=4 6131 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,1,0,0,0,0|1,0,1]=4 6132 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,1,0,0,0,0|1,0,1]=4 6133 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,1,0,0,0,0|1,0,1]=4 6134 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,1,0,0,0,0|1,0,1]=4 6135 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,1,0,0,0,0|1,0,1]=4 6136 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,1,0,0,0,0|1,0,1]=4 6137 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,1,0,0,0,0|1,0,1]=4 6138 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,1,0,0,0,0|1,0,1]=4 6139 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,1,0,0,0,0|1,0,1]=4 6140 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [1,1,0,0,0,0|0,0,2]=4 6141 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [1,1,0,0,0,0|0,0,2]=4 6142 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [1,1,0,0,0,0|1,0,1]=4 6143 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [1,1,0,0,0,0|1,0,1]=4 6144 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [1,1,0,0,0,0|0,0,2]=4 6145 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [1,1,0,0,0,0|0,0,2]=4 6146 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,1,0,0,0,0|1,0,1]=4 6147 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,1,0,0,0,0|1,0,1]=4 6148 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,1,0,0,0,0|1,0,1]=4 6149 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [1,1,0,0,0,0|0,0,2]=4 6150 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [1,1,0,0,0,0|0,0,2]=4 6151 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [1,1,0,0,0,0|1,0,1]=4 6152 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [1,1,0,0,0,0|1,0,1]=4 6153 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [1,1,0,0,0,0|1,0,1]=4 6154 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [1,1,0,0,0,0|1,0,1]=4 6155 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [1,1,0,0,0,0|1,0,1]=4 6156 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,1,0,0,0,0|1,0,1]=4 6157 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,1,0,0,0,0|1,0,1]=4 6158 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,1,0,0,0,0|1,0,1]=4 6159 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,1,0,0,0,0|1,0,1]=4 6160 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [1,1,0,0,0,0|1,0,1]=4 6161 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [1,1,0,0,0,0|1,0,1]=4 6162 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [1,1,0,0,0,0|1,0,1]=4 6163 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [1,1,0,0,0,0|1,0,1]=4 6164 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,1,0,0,0,0|1,0,1]=4 6165 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,1,0,0,0,0|1,0,1]=4 6166 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,1,0,0,0,0|1,0,1]=4 6167 B9R0.45 C#CCCSCCCC=O 62a_100000688953_200011292268 [1,1,0,0,0,0|0,0,2]=4 6168 B9R0.45 C#CCCSCCCC=O 62a_200011292268_100000688953 [1,1,0,0,0,0|0,0,2]=4 6169 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [1,1,0,0,0,0|1,0,1]=4 6170 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [1,1,0,0,0,0|1,0,1]=4 6171 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,1,0,0,0,0|1,0,1]=4 6172 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,1,0,0,0,0|1,0,1]=4 6173 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,1,0,0,0,0|1,0,1]=4 6174 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,1,0,0,0,0|1,0,1]=4 6175 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,1,0,0,0,0|1,0,1]=4 6176 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [1,1,0,0,0,0|0,0,2]=4 6177 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,1,0,0,0,0|1,0,1]=4 6178 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,1,0,0,0,0|1,0,1]=4 6179 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,1,0,0,0,0|1,0,1]=4 6180 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,1,0,0,0,0|1,0,1]=4 6181 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,1,0,0,0,0|1,0,1]=4 6182 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [1,1,0,0,0,0|0,0,2]=4 6183 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [1,1,0,0,0,0|0,0,2]=4 6184 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,1,0,0,0,0|1,0,1]=4 6185 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,1,0,0,0,0|1,0,1]=4 6186 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,1,0,0,0,0|1,0,0]=3 6187 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,1,0,0,0,0|1,0,0]=3 6188 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,1,0,0,0,0|1,0,0]=3 6189 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,1,0,0,0,0|1,0,0]=3 6190 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,1,0,0,0,0|1,0,0]=3 6191 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,1,0,0,0,0|1,0,0]=3 6192 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,1,0,0,0,0|1,0,0]=3 6193 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,1,0,0,0,0|1,0,0]=3 6194 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,1,0,0,0,0|1,0,0]=3 6195 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,1,0,0,0,0|1,0,0]=3 6196 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,1,0,0,0,0|1,0,0]=3 6197 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,1,0,0,0,0|1,0,0]=3 6198 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,1,0,0,0,0|1,0,0]=3 6199 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,1,0,0,0,0|1,0,0]=3 6200 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,1,0,0,0,0|1,0,0]=3 6201 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,1,0,0,0,0|1,0,0]=3 6202 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [1,1,0,0,0,0|2,0,0]=4 6203 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [1,1,0,0,0,0|2,0,0]=4 6204 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,1,0,0,0,0|1,0,0]=3 6205 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,1,0,0,0,0|1,0,0]=3 6206 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [1,1,0,0,0,0|2,0,0]=4 6207 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [1,1,0,0,0,0|2,0,0]=4 6208 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [1,1,0,0,0,0|0,0,2]=4 6209 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [1,1,0,0,0,0|0,0,2]=4 6210 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,1,0,0,0,0|1,0,0]=3 6211 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,1,0,0,0,0|1,0,0]=3 6212 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [1,1,0,0,0,0|2,0,0]=4 6213 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [1,1,0,0,0,0|2,0,0]=4 6214 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [1,1,0,0,0,0|2,0,0]=4 6215 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,1,0,0,0,0|2,0,0]=4 6216 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,1,0,0,0,0|2,0,0]=4 6217 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,1,0,0,0,0|2,0,0]=4 6218 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,1,0,0,0,0|2,0,0]=4 6219 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [1,1,0,0,0,0|2,0,0]=4 6220 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [1,1,0,0,0,0|2,0,0]=4 6221 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [1,1,0,0,0,0|2,0,0]=4 6222 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [1,1,0,0,0,0|0,0,2]=4 6223 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [1,1,0,0,0,0|0,0,2]=4 6224 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [1,1,0,0,0,0|2,0,0]=4 6225 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,1,0,0,0,0|1,0,0]=3 6226 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,1,0,0,0,0|1,0,0]=3 6227 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,1,0,0,0,0|1,0,0]=3 6228 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [1,1,0,0,0,0|2,0,0]=4 6229 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [1,1,0,0,0,0|2,0,0]=4 6230 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [1,1,0,0,0,0|2,0,0]=4 6231 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,1,0,0,0,0|2,0,0]=4 6232 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,1,0,0,0,0|2,0,0]=4 6233 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [1,1,0,0,0,0|2,0,0]=4 6234 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [1,1,0,0,0,0|0,0,2]=4 6235 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [1,1,0,0,0,0|0,0,2]=4 6236 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,1,0,0,0,0|1,0,0]=3 6237 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,1,0,0,0,0|1,0,0]=3 6238 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [1,1,0,0,0,0|2,0,0]=4 6239 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [1,1,0,0,0,0|2,0,0]=4 6240 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,1,0,0,0,0|2,0,0]=4 6241 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,1,0,0,0,0|2,0,0]=4 6242 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [1,1,0,0,0,0|2,0,0]=4 6243 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [1,1,0,0,0,0|2,0,0]=4 6244 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [1,1,0,0,0,0|2,0,0]=4 6245 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [1,1,0,0,0,0|2,0,0]=4 6246 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,1,0,0,0,0|1,0,0]=3 6247 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,1,0,0,0,0|1,0,0]=3 6248 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,1,0,0,0,0|1,0,0]=3 6249 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,1,0,0,0,0|1,0,0]=3 6250 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [1,1,0,0,0,0|2,0,0]=4 6251 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [1,1,0,0,0,0|2,0,0]=4 6252 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [1,1,0,0,0,0|2,0,0]=4 6253 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [1,1,0,0,0,0|2,0,0]=4 6254 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,1,0,0,0,0|2,0,0]=4 6255 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,1,0,0,0,0|2,0,0]=4 6256 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [1,1,0,0,0,0|2,0,0]=4 6257 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [1,1,0,0,0,0|2,0,0]=4 6258 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [1,1,0,0,0,0|2,0,0]=4 6259 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [1,1,0,0,0,0|2,0,0]=4 6260 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [1,1,0,0,0,0|2,0,0]=4 6261 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [1,1,0,0,0,0|2,0,0]=4 6262 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [1,1,0,0,0,0|2,0,0]=4 6263 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,1,0,0,0,0|1,0,0]=3 6264 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,1,0,0,0,0|1,0,0]=3 6265 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,1,0,0,0,0|1,0,0]=3 6266 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,1,0,0,0,0|1,0,0]=3 6267 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [1,1,0,0,0,0|2,0,0]=4 6268 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [1,1,0,0,0,0|2,0,0]=4 6269 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [1,1,0,0,0,0|2,0,0]=4 6270 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [1,1,0,0,0,0|2,0,0]=4 6271 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [1,1,0,0,0,0|2,0,0]=4 6272 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,1,0,0,0,0|2,0,0]=4 6273 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,1,0,0,0,0|2,0,0]=4 6274 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [1,1,0,0,0,0|2,0,0]=4 6275 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [1,1,0,0,0,0|2,0,0]=4 6276 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [1,1,0,0,0,0|2,0,0]=4 6277 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [1,1,0,0,0,0|2,0,0]=4 6278 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [1,1,0,0,0,0|2,0,0]=4 6279 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [1,1,0,0,0,0|2,0,0]=4 6280 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [1,1,0,0,0,0|2,0,0]=4 6281 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,1,0,0,0,0|1,0,0]=3 6282 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,1,0,0,0,0|1,0,0]=3 6283 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [1,1,0,0,0,0|2,0,0]=4 6284 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [1,1,0,0,0,0|2,0,0]=4 6285 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,1,0,0,0,0|2,0,0]=4 6286 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,1,0,0,0,0|2,0,0]=4 6287 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [1,1,0,0,0,0|2,0,0]=4 6288 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [1,1,0,0,0,0|2,0,0]=4 6289 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [1,1,0,0,0,0|2,0,0]=4 6290 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [1,1,0,0,0,0|2,0,0]=4 6291 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [1,1,0,0,0,0|2,0,0]=4 6292 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [1,1,0,0,0,0|2,0,0]=4 6293 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [1,1,0,0,0,0|0,0,2]=4 6294 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,1,0,0,0,0|1,0,0]=3 6295 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,1,0,0,0,0|1,0,0]=3 6296 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [1,1,0,0,0,0|2,0,0]=4 6297 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,1,0,0,0,0|2,0,0]=4 6298 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,1,0,0,0,0|2,0,0]=4 6299 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,1,0,0,0,0|2,0,0]=4 6300 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [1,1,0,0,0,0|2,0,0]=4 6301 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [1,1,0,0,0,0|2,0,0]=4 6302 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [1,1,0,0,0,0|2,0,0]=4 6303 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [1,1,0,0,0,0|2,0,0]=4 6304 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [1,1,0,0,0,0|2,0,0]=4 6305 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [1,1,0,0,0,0|2,0,0]=4 6306 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [1,1,0,0,0,0|2,0,0]=4 6307 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [1,1,0,0,0,0|2,0,0]=4 6308 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [1,1,0,0,0,0|2,0,0]=4 6309 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,1,0,0,0,0|1,0,0]=3 6310 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,1,0,0,0,0|1,0,0]=3 6311 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,1,0,0,0,0|1,0,0]=3 6312 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [1,1,0,0,0,0|2,0,0]=4 6313 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [1,1,0,0,0,0|2,0,0]=4 6314 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [1,1,0,0,0,0|2,0,0]=4 6315 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [1,1,0,0,0,0|2,0,0]=4 6316 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [1,1,0,0,0,0|2,0,0]=4 6317 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [1,1,0,0,0,0|2,0,0]=4 6318 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [1,1,0,0,0,0|2,0,0]=4 6319 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,1,0,0,0,0|2,0,0]=4 6320 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [1,1,0,0,0,0|2,0,0]=4 6321 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [1,1,0,0,0,0|2,0,0]=4 6322 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [1,1,0,0,0,0|2,0,0]=4 6323 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [1,1,0,0,0,0|2,0,0]=4 6324 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [1,1,0,0,0,0|2,0,0]=4 6325 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [1,1,0,0,0,0|2,0,0]=4 6326 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [1,1,0,0,0,0|2,0,0]=4 6327 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [1,1,0,0,0,0|2,0,0]=4 6328 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [1,1,0,0,0,0|2,0,0]=4 6329 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [1,1,0,0,0,0|2,0,0]=4 6330 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [1,1,0,0,0,0|2,0,0]=4 6331 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [1,1,0,0,0,0|0,0,2]=4 6332 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [1,1,0,0,0,0|0,0,2]=4 6333 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,1,0,0,0,0|1,0,0]=3 6334 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,1,0,0,0,0|1,0,0]=3 6335 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [1,1,0,0,0,0|2,0,0]=4 6336 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [1,1,0,0,0,0|2,0,0]=4 6337 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,1,0,0,0,0|2,0,0]=4 6338 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,1,0,0,0,0|2,0,0]=4 6339 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [1,1,0,0,0,0|2,0,0]=4 6340 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [1,1,0,0,0,0|2,0,0]=4 6341 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [1,1,0,0,0,0|2,0,0]=4 6342 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [1,1,0,0,0,0|2,0,0]=4 6343 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [1,1,0,0,0,0|2,0,0]=4 6344 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [1,1,0,0,0,0|2,0,0]=4 6345 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [1,1,0,0,0,0|0,0,2]=4 6346 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,1,0,0,0,0|1,0,0]=3 6347 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,1,0,0,0,0|1,0,0]=3 6348 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [1,1,0,0,0,0|2,0,0]=4 6349 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,1,0,0,0,0|2,0,0]=4 6350 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,1,0,0,0,0|2,0,0]=4 6351 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,1,0,0,0,0|2,0,0]=4 6352 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [1,1,0,0,0,0|2,0,0]=4 6353 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [1,1,0,0,0,0|2,0,0]=4 6354 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [1,1,0,0,0,0|2,0,0]=4 6355 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [1,1,0,0,0,0|2,0,0]=4 6356 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [1,1,0,0,0,0|2,0,0]=4 6357 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [1,1,0,0,0,0|2,0,0]=4 6358 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [1,1,0,0,0,0|2,0,0]=4 6359 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [1,1,0,0,0,0|2,0,0]=4 6360 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [1,1,0,0,0,0|2,0,0]=4 6361 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [1,1,0,0,0,0|2,0,0]=4 6362 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [1,1,0,0,0,0|2,0,0]=4 6363 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,1,0,0,0,0|1,0,0]=3 6364 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,1,0,0,0,0|1,0,0]=3 6365 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,1,0,0,0,0|1,0,0]=3 6366 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [1,1,0,0,0,0|2,0,0]=4 6367 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [1,1,0,0,0,0|2,0,0]=4 6368 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [1,1,0,0,0,0|2,0,0]=4 6369 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [1,1,0,0,0,0|2,0,0]=4 6370 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [1,1,0,0,0,0|2,0,0]=4 6371 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [1,1,0,0,0,0|2,0,0]=4 6372 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,1,0,0,0,0|2,0,0]=4 6373 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [1,1,0,0,0,0|2,0,0]=4 6374 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [1,1,0,0,0,0|2,0,0]=4 6375 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [1,1,0,0,0,0|2,0,0]=4 6376 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [1,1,0,0,0,0|2,0,0]=4 6377 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [1,1,0,0,0,0|2,0,0]=4 6378 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [1,1,0,0,0,0|2,0,0]=4 6379 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [1,1,0,0,0,0|2,0,0]=4 6380 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [1,1,0,0,0,0|2,0,0]=4 6381 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [1,1,0,0,0,0|2,0,0]=4 6382 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [1,1,0,0,0,0|2,0,0]=4 6383 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [1,1,0,0,0,0|2,0,0]=4 6384 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [1,1,0,0,0,0|2,0,0]=4 6385 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [1,1,0,0,0,0|2,0,0]=4 6386 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [1,1,0,0,0,0|2,0,0]=4 6387 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [1,1,0,0,0,0|2,0,0]=4 6388 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [1,1,0,0,0,0|2,0,0]=4 6389 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [1,1,0,0,0,0|2,0,0]=4 6390 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [1,1,0,0,0,0|0,0,2]=4 6391 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [1,1,0,0,0,0|0,0,2]=4 6392 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,1,0,0,0,0|1,0,0]=3 6393 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,1,0,0,0,0|1,0,0]=3 6394 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [1,1,0,0,0,0|2,0,0]=4 6395 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [1,1,0,0,0,0|2,0,0]=4 6396 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,1,0,0,0,0|2,0,0]=4 6397 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,1,0,0,0,0|2,0,0]=4 6398 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [1,1,0,0,0,0|2,0,0]=4 6399 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [1,1,0,0,0,0|2,0,0]=4 6400 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [1,1,0,0,0,0|2,0,0]=4 6401 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [1,1,0,0,0,0|2,0,0]=4 6402 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [1,1,0,0,0,0|2,0,0]=4 6403 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [1,1,0,0,0,0|2,0,0]=4 6404 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [1,1,0,0,0,0|2,0,0]=4 6405 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [1,1,0,0,0,0|2,0,0]=4 6406 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [1,1,0,0,0,0|2,0,0]=4 6407 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [1,1,0,0,0,0|2,0,0]=4 6408 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [1,1,0,0,0,0|2,0,0]=4 6409 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [1,1,0,0,0,0|2,0,0]=4 6410 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [1,1,0,0,0,0|2,0,0]=4 6411 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [1,1,0,0,0,0|2,0,0]=4 6412 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [1,1,0,0,0,0|2,0,0]=4 6413 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [1,1,0,0,0,0|2,0,0]=4 6414 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [1,1,0,0,0,0|2,0,0]=4 6415 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [1,1,0,0,0,0|2,0,0]=4 6416 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [1,1,0,0,0,0|2,0,0]=4 6417 B9R0.45 CC#CCNCCCC=O 2230a_100000685387_200011292268 [1,1,0,0,0,0|0,0,2]=4 6418 B9R0.45 CC#CCSCCCC=O 62a_100000748600_200011292268 [1,1,0,0,0,0|0,0,2]=4 6419 B9R0.45 CC#CCSCCCC=O 62a_200011292268_100000748600 [1,1,0,0,0,0|0,0,2]=4 6420 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,1,0,0,0,0|0,0,2]=4 6421 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,1,0,0,0,0|0,0,2]=4 6422 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [1,1,0,0,0,0|0,0,2]=4 6423 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [1,1,0,0,0,0|0,0,2]=4 6424 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [1,1,0,0,0,0|0,0,2]=4 6425 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,1,0,0,0,0|1,0,1]=4 6426 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,1,0,0,0,0|1,0,1]=4 6427 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,1,0,0,0,0|1,0,1]=4 6428 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,1,0,0,0,0|1,0,1]=4 6429 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [1,1,0,0,0,0|0,0,2]=4 6430 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [1,1,0,0,0,0|0,0,2]=4 6431 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,1,0,0,0,0|1,0,1]=4 6432 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,1,0,0,0,0|1,0,1]=4 6433 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [1,1,0,0,0,0|0,0,2]=4 6434 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [1,1,0,0,0,0|0,0,2]=4 6435 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [1,1,0,0,0,0|0,0,2]=4 6436 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [1,1,0,0,0,0|0,0,2]=4 6437 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [1,1,0,0,0,0|0,0,2]=4 6438 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [1,1,0,0,0,0|0,0,2]=4 6439 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,1,0,0,0,0|1,0,1]=4 6440 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,1,0,0,0,0|1,0,1]=4 6441 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,1,0,0,0,0|1,0,1]=4 6442 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,1,0,0,0,0|1,0,1]=4 6443 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,1,0,0,0,0|1,0,1]=4 6444 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,1,0,0,0,0|1,0,1]=4 6445 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,1,0,0,0,0|1,0,1]=4 6446 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,1,0,0,0,0|0,0,1]=3 6447 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,1,0,0,0,0|0,0,1]=3 6448 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,1,0,0,0,0|0,0,1]=3 6449 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,1,0,0,0,0|0,0,1]=3 6450 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,1,0,0,0,0|0,0,1]=3 6451 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,1,0,0,0,0|0,1,1]=4 6452 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,1,0,0,0,0|0,1,1]=4 6453 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,1,0,0,0,0|0,1,1]=4 6454 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,1,0,0,0,0|0,1,1]=4 6455 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,1,0,0,0,0|1,0,1]=4 6456 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,1,0,0,0,0|1,0,1]=4 6457 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,1,0,0,0,0|1,0,1]=4 6458 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,1,0,0,0,0|1,0,1]=4 6459 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,1,0,0,0,0|1,0,1]=4 6460 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,1,0,0,0,0|1,0,1]=4 6461 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,1,0,0,0,0|1,0,1]=4 6462 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,1,0,0,0,0|1,0,1]=4 6463 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,1,0,0,0,0|1,0,1]=4 6464 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,1,0,0,0,0|1,0,1]=4 6465 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,1,0,0,0,0|1,0,1]=4 6466 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,1,0,0,0,0|1,0,1]=4 6467 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,1,0,0,0,0|0,0,0]=2 6468 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,1,0,0,0,0|1,0,1]=4 6469 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,1,0,0,0,0|1,0,1]=4 6470 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,1,0,0,0,0|1,0,1]=4 6471 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,1,0,0,0,0|0,0,1]=3 6472 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,1,0,0,0,0|0,0,1]=3 6473 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,1,0,0,0,0|0,0,1]=3 6474 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,1,0,0,0,0|1,0,1]=4 6475 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,1,0,0,0,0|2,0,0]=4 6476 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,1,0,0,0,0|1,0,1]=4 6477 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|0,0,0]=2 6478 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|0,0,0]=2 6479 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,1,0,0,0,0|1,0,1]=4 6480 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,1,0,0,0,0|1,0,1]=4 6481 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,1,0,0,0,0|1,0,1]=4 6482 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,1,0,0,0,0|1,0,1]=4 6483 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,1,0,0,0,0|1,0,1]=4 6484 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,1,0,0,0,0|1,0,1]=4 6485 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,1,0,0,0,0|1,0,1]=4 6486 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,1,0,0,0,0|0,0,1]=3 6487 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,1,0,0,0,0|0,0,1]=3 6488 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,1,0,0,0,0|2,0,0]=4 6489 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,1,0,0,0,0|1,0,1]=4 6490 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,1,0,0,0,0|1,0,1]=4 6491 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,1,0,0,0,0|0,0,0]=2 6492 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,1,0,0,0,0|0,0,0]=2 6493 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,1,0,0,0,0|1,0,1]=4 6494 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,1,0,0,0,0|1,0,1]=4 6495 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,1,0,0,0,0|1,0,1]=4 6496 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,1,0,0,0,0|1,0,1]=4 6497 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,1,0,0,0,0|0,0,1]=3 6498 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,1,0,0,0,0|0,0,1]=3 6499 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,1,0,0,0,0|1,0,1]=4 6500 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,1,0,0,0,0|1,0,1]=4 6501 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,1,0,0,0,0|2,0,0]=4 6502 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,1,0,0,0,0|2,0,0]=4 6503 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [1,1,0,0,0,0|1,0,1]=4 6504 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,1,0,0,0,0|1,0,1]=4 6505 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,1,0,0,0,0|1,0,1]=4 6506 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,1,0,0,0,0|1,0,1]=4 6507 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,1,0,0,0,0|1,0,1]=4 6508 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,1,0,0,0,0|1,0,1]=4 6509 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,1,0,0,0,0|1,0,1]=4 6510 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,1,0,0,0,0|0,0,1]=3 6511 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,1,0,0,0,0|1,0,1]=4 6512 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,1,0,0,0,0|1,0,1]=4 6513 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 6514 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 6515 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,1,0,0,0,0|2,0,0]=4 6516 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,1,0,0,0,0|2,0,0]=4 6517 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,1,0,0,0,0|1,0,1]=4 6518 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,1,0,0,0,0|1,0,1]=4 6519 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,1,0,0,0,0|1,0,1]=4 6520 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,1,0,0,0,0|1,0,1]=4 6521 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,1,0,0,0,0|1,0,1]=4 6522 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,1,0,0,0,0|1,0,1]=4 6523 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,1,0,0,0,0|1,0,1]=4 6524 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,1,0,0,0,0|1,0,1]=4 6525 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,1,0,0,0,0|1,0,1]=4 6526 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,1,0,0,0,0|1,0,1]=4 6527 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,1,0,0,0,0|1,0,1]=4 6528 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,1,0,0,0,0|0,0,1]=3 6529 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,1,0,0,0,0|0,0,1]=3 6530 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,1,0,0,0,0|1,0,1]=4 6531 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,1,0,0,0,0|1,0,1]=4 6532 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,1,0,0,0,0|1,0,1]=4 6533 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,1,0,0,0,0|1,0,1]=4 6534 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,1,0,0,0,0|1,0,1]=4 6535 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,1,0,0,0,0|1,0,1]=4 6536 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,1,0,0,0,0|1,0,1]=4 6537 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,1,0,0,0,0|1,0,1]=4 6538 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,1,0,0,0,0|2,0,0]=4 6539 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,1,0,0,0,0|2,0,0]=4 6540 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,1,0,0,0,0|2,0,0]=4 6541 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,1,0,0,0,0|2,0,0]=4 6542 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [1,1,0,0,0,0|1,0,1]=4 6543 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [1,1,0,0,0,0|1,0,1]=4 6544 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,1,0,0,0,0|1,0,1]=4 6545 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,1,0,0,0,0|1,0,1]=4 6546 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,1,0,0,0,0|1,0,1]=4 6547 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,1,0,0,0,0|1,0,1]=4 6548 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,1,0,0,0,0|0,0,1]=3 6549 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,1,0,0,0,0|0,0,1]=3 6550 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,1,0,0,0,0|1,0,1]=4 6551 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,1,0,0,0,0|1,0,1]=4 6552 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,1,0,0,0,0|2,0,0]=4 6553 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,1,0,0,0,0|2,0,0]=4 6554 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [1,1,0,0,0,0|1,0,1]=4 6555 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [1,1,0,0,0,0|1,0,1]=4 6556 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,1,0,0,0,0|0,0,0]=2 6557 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,1,0,0,0,0|0,0,0]=2 6558 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,1,0,0,0,0|1,0,1]=4 6559 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,1,0,0,0,0|1,0,1]=4 6560 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,1,0,0,0,0|0,0,1]=3 6561 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,1,0,0,0,0|0,0,1]=3 6562 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,1,0,0,0,0|0,0,1]=3 6563 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,1,0,0,0,0|0,0,1]=3 6564 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,1,0,0,0,0|1,0,1]=4 6565 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,1,0,0,0,0|1,0,1]=4 6566 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,1,0,0,0,0|1,0,1]=4 6567 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,1,0,0,0,0|2,0,0]=4 6568 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,1,0,0,0,0|1,0,1]=4 6569 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,1,0,0,0,0|0,0,0]=2 6570 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,1,0,0,0,0|1,0,1]=4 6571 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,1,0,0,0,0|1,0,1]=4 6572 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,1,0,0,0,0|1,0,1]=4 6573 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,1,0,0,0,0|1,0,1]=4 6574 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,1,0,0,0,0|1,0,1]=4 6575 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,1,0,0,0,0|1,0,1]=4 6576 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,1,0,0,0,0|1,0,1]=4 6577 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,1,0,0,0,0|1,0,1]=4 6578 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,1,0,0,0,0|1,0,1]=4 6579 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,1,0,0,0,0|0,0,1]=3 6580 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,1,0,0,0,0|0,0,1]=3 6581 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,1,0,0,0,0|2,0,0]=4 6582 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,1,0,0,0,0|2,0,0]=4 6583 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,1,0,0,0,0|2,0,0]=4 6584 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,1,0,0,0,0|2,0,0]=4 6585 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,1,0,0,0,0|2,0,0]=4 6586 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,1,0,0,0,0|1,0,1]=4 6587 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,1,0,0,0,0|1,0,1]=4 6588 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,1,0,0,0,0|1,0,1]=4 6589 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,1,0,0,0,0|1,0,1]=4 6590 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,1,0,0,0,0|1,0,1]=4 6591 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,1,0,0,0,0|1,0,1]=4 6592 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,1,0,0,0,0|1,0,1]=4 6593 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,1,0,0,0,0|2,0,0]=4 6594 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,1,0,0,0,0|2,0,0]=4 6595 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,1,0,0,0,0|1,0,1]=4 6596 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,1,0,0,0,0|1,0,1]=4 6597 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,1,0,0,0,0|1,0,0]=3 6598 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,1,0,0,0,0|1,0,0]=3 6599 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,1,0,0,0,0|1,0,1]=4 6600 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,1,0,0,0,0|1,0,1]=4 6601 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [1,1,0,0,0,0|1,0,1]=4 6602 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [1,1,0,0,0,0|1,0,1]=4 6603 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,1,0,0,0,0|0,0,0]=2 6604 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,1,0,0,0,0|0,0,0]=2 6605 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,1,0,0,0,0|1,0,1]=4 6606 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,1,0,0,0,0|1,0,1]=4 6607 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,1,0,0,0,0|0,0,1]=3 6608 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,1,0,0,0,0|0,0,1]=3 6609 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,1,0,0,0,0|1,0,1]=4 6610 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,1,0,0,0,0|1,0,1]=4 6611 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,1,0,0,0,0|0,0,1]=3 6612 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,1,0,0,0,0|0,0,1]=3 6613 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,1,0,0,0,0|1,0,1]=4 6614 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,1,0,0,0,0|1,0,1]=4 6615 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [1,1,0,0,0,0|1,0,1]=4 6616 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,1,0,0,0,0|1,0,1]=4 6617 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,1,0,0,0,0|1,0,1]=4 6618 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,1,0,0,0,0|1,0,1]=4 6619 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,1,0,0,0,0|1,0,1]=4 6620 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,1,0,0,0,0|1,0,1]=4 6621 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,1,0,0,0,0|1,0,1]=4 6622 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,1,0,0,0,0|1,0,1]=4 6623 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,1,0,0,0,0|1,0,1]=4 6624 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,1,0,0,0,0|0,0,1]=3 6625 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,1,0,0,0,0|1,0,1]=4 6626 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,1,0,0,0,0|1,0,1]=4 6627 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,1,0,0,0,0|2,0,0]=4 6628 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,1,0,0,0,0|2,0,0]=4 6629 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,1,0,0,0,0|1,0,0]=3 6630 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,1,0,0,0,0|1,0,0]=3 6631 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,1,0,0,0,0|1,0,1]=4 6632 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,1,0,0,0,0|1,0,1]=4 6633 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,1,0,0,0,0|1,0,1]=4 6634 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,1,0,0,0,0|1,0,1]=4 6635 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,1,0,0,0,0|1,0,0]=3 6636 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,1,0,0,0,0|1,0,0]=3 6637 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,1,0,0,0,0|1,0,1]=4 6638 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,1,0,0,0,0|1,0,1]=4 6639 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,1,0,0,0,0|1,0,1]=4 6640 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,1,0,0,0,0|1,0,0]=3 6641 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,1,0,0,0,0|1,0,0]=3 6642 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,1,0,0,0,0|1,0,1]=4 6643 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,1,0,0,0,0|1,0,1]=4 6644 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [1,1,0,0,0,0|1,0,1]=4 6645 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [1,1,0,0,0,0|1,0,1]=4 6646 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,1,0,0,0,0|0,0,0]=2 6647 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,1,0,0,0,0|0,0,0]=2 6648 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,1,0,0,0,0|1,0,1]=4 6649 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,1,0,0,0,0|1,0,1]=4 6650 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,1,0,0,0,0|0,0,1]=3 6651 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,1,0,0,0,0|0,0,1]=3 6652 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,1,0,0,0,0|1,0,1]=4 6653 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,1,0,0,0,0|1,0,1]=4 6654 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,1,0,0,0,0|1,0,0]=3 6655 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [1,1,0,0,0,0|1,0,1]=4 6656 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,1,0,0,0,0|1,0,0]=3 6657 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,1,0,0,0,0|1,0,0]=3 6658 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,1,0,0,0,0|1,0,1]=4 6659 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,1,0,0,0,0|1,0,1]=4 6660 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,1,0,0,0,0|1,0,1]=4 6661 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,1,0,0,0,0|1,0,1]=4 6662 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,1,0,0,0,0|1,0,1]=4 6663 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,1,0,0,0,0|0,0,0]=2 6664 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,1,0,0,0,0|1,0,1]=4 6665 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,1,0,0,0,0|0,0,1]=3 6666 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,1,0,0,0,0|0,0,1]=3 6667 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,1,0,0,0,0|0,0,1]=3 6668 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,1,0,0,0,0|1,0,1]=4 6669 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,1,0,0,0,0|1,0,1]=4 6670 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,1,0,0,0,0|1,0,1]=4 6671 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,1,0,0,0,0|1,0,1]=4 6672 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,1,0,0,0,0|1,0,1]=4 6673 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,1,0,0,0,0|1,0,1]=4 6674 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,1,0,0,0,0|1,0,1]=4 6675 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,1,0,0,0,0|1,0,1]=4 6676 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,1,0,0,0,0|1,0,1]=4 6677 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,1,0,0,0,0|1,0,1]=4 6678 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,1,0,0,0,0|0,0,1]=3 6679 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,1,0,0,0,0|2,0,0]=4 6680 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,1,0,0,0,0|1,0,0]=3 6681 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,1,0,0,0,0|1,0,0]=3 6682 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,1,0,0,0,0|1,0,1]=4 6683 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,1,0,0,0,0|1,0,1]=4 6684 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,1,0,0,0,0|1,0,1]=4 6685 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,1,0,0,0,0|1,0,1]=4 6686 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,1,0,0,0,0|1,0,0]=3 6687 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,1,0,0,0,0|1,0,0]=3 6688 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,1,0,0,0,0|1,0,1]=4 6689 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,1,0,0,0,0|1,0,1]=4 6690 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,1,0,0,0,0|1,0,0]=3 6691 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,1,0,0,0,0|1,0,0]=3 6692 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,1,0,0,0,0|1,0,1]=4 6693 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,1,0,0,0,0|1,0,1]=4 6694 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,1,0,0,0,0|1,0,1]=4 6695 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,1,0,0,0,0|1,0,1]=4 6696 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,1,0,0,0,0|1,0,1]=4 6697 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,1,0,0,0,0|1,0,1]=4 6698 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,1,0,0,0,0|1,0,1]=4 6699 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,1,0,0,0,0|1,0,1]=4 6700 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [1,1,0,0,0,0|1,0,0]=3 6701 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [1,1,0,0,0,0|1,0,0]=3 6702 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,1,0,0,0,0|1,0,1]=4 6703 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,1,0,0,0,0|1,0,1]=4 6704 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,1,0,0,0,0|1,0,1]=4 6705 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,1,0,0,0,0|1,0,1]=4 6706 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,1,0,0,0,0|0,0,0]=2 6707 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,1,0,0,0,0|0,0,0]=2 6708 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,1,0,0,0,0|1,0,1]=4 6709 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,1,0,0,0,0|1,0,1]=4 6710 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,1,0,0,0,0|0,0,1]=3 6711 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,1,0,0,0,0|0,0,1]=3 6712 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,1,0,0,0,0|1,0,0]=3 6713 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,1,0,0,0,0|1,0,0]=3 6714 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,1,0,0,0,0|1,0,1]=4 6715 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,1,0,0,0,0|1,0,1]=4 6716 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,1,0,0,0,0|1,0,1]=4 6717 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,1,0,0,0,0|1,0,1]=4 6718 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,1,0,0,0,0|1,0,1]=4 6719 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,1,0,0,0,0|1,0,1]=4 6720 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,1,0,0,0,0|1,0,1]=4 6721 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,1,0,0,0,0|1,0,1]=4 6722 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,1,0,0,0,0|1,0,1]=4 6723 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,1,0,0,0,0|0,0,1]=3 6724 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,1,0,0,0,0|0,0,1]=3 6725 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,1,0,0,0,0|0,0,1]=3 6726 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,1,0,0,0,0|0,0,1]=3 6727 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,1,0,0,0,0|0,0,1]=3 6728 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,1,0,0,0,0|1,0,1]=4 6729 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,1,0,0,0,0|1,0,1]=4 6730 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,1,0,0,0,0|1,0,1]=4 6731 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,1,0,0,0,0|1,0,1]=4 6732 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,1,0,0,0,0|1,0,1]=4 6733 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,1,0,0,0,0|1,0,1]=4 6734 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,1,0,0,0,0|1,0,1]=4 6735 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,1,0,0,0,0|1,0,1]=4 6736 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,1,0,0,0,0|1,0,1]=4 6737 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,1,0,0,0,0|0,0,1]=3 6738 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,1,0,0,0,0|1,0,1]=4 6739 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,1,0,0,0,0|1,0,1]=4 6740 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,1,0,0,0,0|1,0,1]=4 6741 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,1,0,0,0,0|1,0,1]=4 6742 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,1,0,0,0,0|1,0,1]=4 6743 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,1,0,0,0,0|1,0,1]=4 6744 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,1,0,0,0,0|1,0,1]=4 6745 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,1,0,0,0,0|1,0,1]=4 6746 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,1,0,0,0,0|1,0,1]=4 6747 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,1,0,0,0,0|1,0,1]=4 6748 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,1,0,0,0,0|1,0,1]=4 6749 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,1,0,0,0,0|1,0,0]=3 6750 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,1,0,0,0,0|1,0,1]=4 6751 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,1,0,0,0,0|1,0,0]=3 6752 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,1,0,0,0,0|1,0,0]=3 6753 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,1,0,0,0,0|1,0,1]=4 6754 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,1,0,0,0,0|1,0,1]=4 6755 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,1,0,0,0,0|1,0,1]=4 6756 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,1,0,0,0,0|1,0,1]=4 6757 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,1,0,0,0,0|1,0,1]=4 6758 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,1,0,0,0,0|1,0,1]=4 6759 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [1,1,0,0,0,0|1,0,0]=3 6760 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,1,0,0,0,0|1,0,1]=4 6761 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,1,0,0,0,0|1,0,1]=4 6762 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,1,0,0,0,0|1,0,1]=4 6763 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,1,0,0,0,0|1,0,1]=4 6764 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [1,1,0,0,0,0|2,0,0]=4 6765 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [1,1,0,0,0,0|2,0,0]=4 6766 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [1,1,0,0,0,0|1,0,0]=3 6767 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [1,1,0,0,0,0|1,0,0]=3 6768 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,1,0,0,0,0|1,0,1]=4 6769 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,1,0,0,0,0|1,0,1]=4 6770 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,1,0,0,0,0|1,0,1]=4 6771 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [1,1,0,0,0,0|1,0,0]=3 6772 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [1,1,0,0,0,0|1,0,0]=3 6773 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,1,0,0,0,0|1,0,1]=4 6774 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,1,0,0,0,0|1,0,1]=4 6775 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,1,0,0,0,0|1,0,1]=4 6776 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,1,0,0,0,0|1,0,1]=4 6777 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,1,0,0,0,0|0,0,1]=3 6778 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,1,0,0,0,0|0,0,1]=3 6779 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,1,0,0,0,0|1,0,0]=3 6780 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,1,0,0,0,0|1,0,0]=3 6781 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,1,0,0,0,0|1,0,1]=4 6782 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,1,0,0,0,0|1,0,1]=4 6783 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,1,0,0,0,0|1,0,1]=4 6784 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,1,0,0,0,0|1,0,1]=4 6785 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,1,0,0,0,0|1,0,1]=4 6786 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [1,1,0,0,0,0|1,0,0]=3 6787 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,1,0,0,0,0|1,0,1]=4 6788 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,1,0,0,0,0|1,0,1]=4 6789 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,1,0,0,0,0|1,0,1]=4 6790 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [1,1,0,0,0,0|1,0,0]=3 6791 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,1,0,0,0,0|1,0,1]=4 6792 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,1,0,0,0,0|1,0,1]=4 6793 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [1,1,0,0,0,0|1,0,0]=3 6794 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [1,1,0,0,0,0|1,0,0]=3 6795 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,1,0,0,0,0|1,0,1]=4 6796 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,1,0,0,0,0|1,0,1]=4 6797 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,1,0,0,0,0|1,0,1]=4 6798 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,1,0,0,0,0|1,0,1]=4 6799 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [1,1,0,0,0,0|1,0,0]=3 6800 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [1,1,0,0,0,0|1,0,0]=3 6801 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,1,0,0,0,0|1,0,1]=4 6802 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,1,0,0,0,0|1,0,1]=4 6803 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [1,1,0,0,0,0|1,0,1]=4 6804 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [1,1,0,0,0,0|1,0,1]=4 6805 B9R0.45 N#CCCSCCCC=O 62a_100011215226_200011292268 [1,1,0,0,0,0|1,0,1]=4 6806 B9R0.45 N#CCCSCCCC=O 62a_200011292268_100011215226 [1,1,0,0,0,0|1,0,1]=4 6807 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [1,1,0,0,0,0|1,0,1]=4 6808 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [1,1,0,0,0,0|1,0,1]=4 6809 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,1,0,0,0,0|1,0,0]=3 6810 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|1,0,1]=4 6811 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,1,0,0,0,0|1,0,1]=4 6812 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,1,0,0,0,0|1,0,1]=4 6813 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,1,0,0,0,0|1,0,1]=4 6814 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [1,1,0,0,0,0|2,0,0]=4 6815 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [1,1,0,0,0,0|1,0,0]=3 6816 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [1,1,0,0,0,0|1,0,0]=3 6817 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,1,0,0,0,0|1,0,0]=3 6818 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [1,1,0,0,0,0|1,0,1]=4 6819 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [1,1,0,0,0,0|1,0,1]=4 6820 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [1,1,0,0,0,0|1,0,0]=3 6821 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [1,1,0,0,0,0|1,0,0]=3 6822 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,1,0,0,0,0|1,0,0]=3 6823 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,1,0,0,0,0|1,0,0]=3 6824 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [1,1,0,0,0,0|1,0,0]=3 6825 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [1,1,0,0,0,0|1,0,0]=3 6826 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [1,1,0,0,0,0|1,0,0]=3 6827 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,1,0,0,0,0|1,0,0]=3 6828 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,1,0,0,0,0|1,0,0]=3 6829 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,1,0,0,0,0|1,0,0]=3 6830 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,1,0,0,0,0|1,0,0]=3 6831 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [1,1,0,0,0,0|2,0,0]=4 6832 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [1,1,0,0,0,0|2,0,0]=4 6833 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [1,1,0,0,0,0|2,0,0]=4 6834 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,1,0,0,0,0|1,0,0]=3 6835 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,1,0,0,0,0|1,0,0]=3 6836 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,1,0,0,0,0|1,0,0]=3 6837 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,1,0,0,0,0|1,0,0]=3 6838 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,1,0,0,0,0|1,0,0]=3 6839 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,1,0,0,0,0|1,0,0]=3 6840 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [1,1,0,0,0,0|2,0,0]=4 6841 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [1,1,0,0,0,0|2,0,0]=4 6842 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [1,1,0,0,0,0|2,0,0]=4 6843 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [1,1,0,0,0,0|2,0,0]=4 6844 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [1,1,0,0,0,0|2,0,0]=4 6845 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [1,1,0,0,0,0|2,0,0]=4 6846 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [1,1,0,0,0,0|2,0,0]=4 6847 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [1,1,0,0,0,0|2,0,0]=4 6848 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,1,0,0,0,0|1,0,0]=3 6849 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,1,0,0,0,0|1,0,0]=3 6850 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,1,0,0,0,0|1,0,0]=3 6851 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,1,0,0,0,0|1,0,0]=3 6852 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [1,1,0,0,0,0|2,0,0]=4 6853 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [1,1,0,0,0,0|2,0,0]=4 6854 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,1,0,0,0,0|1,0,1]=4 6855 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,1,0,0,0,0|1,0,1]=4 6856 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,1,0,0,0,0|1,0,1]=4 6857 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [1,1,0,0,0,0|1,0,1]=4 6858 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [1,1,0,0,0,0|1,0,1]=4 6859 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [1,1,0,0,0,0|1,0,1]=4 6860 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [1,1,0,0,0,0|1,0,1]=4 6861 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [1,1,0,0,0,0|1,0,1]=4 6862 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|1,0,1]=4 6863 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [1,1,0,0,0,0|1,0,1]=4 6864 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,1,0,0,0,0|1,0,1]=4 6865 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [1,1,0,0,0,0|1,0,1]=4 6866 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [1,1,0,0,0,0|1,0,1]=4 6867 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [1,1,0,0,0,0|1,0,1]=4 6868 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [1,1,0,0,0,0|1,0,1]=4 6869 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [1,1,0,0,0,0|1,0,1]=4 6870 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [1,1,0,0,0,0|1,0,1]=4 6871 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [1,1,0,0,0,0|1,0,1]=4 6872 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [1,1,0,0,0,0|1,0,1]=4 6873 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [1,1,0,0,0,0|1,0,1]=4 6874 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [1,1,0,0,0,0|1,0,1]=4 6875 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [1,1,0,0,0,0|1,0,1]=4 6876 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [1,1,0,0,0,0|1,0,1]=4 6877 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [1,1,0,0,0,0|1,0,1]=4 6878 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [1,1,0,0,0,0|1,0,1]=4 6879 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [1,1,0,0,0,0|1,0,1]=4 6880 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [1,1,0,0,0,0|1,0,1]=4 6881 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [1,1,0,0,0,0|1,0,1]=4 6882 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [1,1,0,0,0,0|1,0,1]=4 6883 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [1,1,0,0,0,0|1,0,1]=4 6884 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [1,1,0,0,0,0|1,0,1]=4 6885 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [1,1,0,0,0,0|1,0,1]=4 6886 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [1,1,0,0,0,0|1,0,1]=4 6887 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [1,1,0,0,0,0|1,0,1]=4 6888 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [1,1,0,0,0,0|1,0,1]=4 6889 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [1,1,0,0,0,0|1,0,1]=4 6890 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [1,1,0,0,0,0|1,0,1]=4 6891 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [1,1,0,0,0,0|1,0,1]=4 6892 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,1,0,0,0,0|1,0,1]=4 6893 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,1,0,0,0,0|1,0,1]=4 6894 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,1,0,0,0,0|1,0,1]=4 6895 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,1,0,0,0,0|1,0,1]=4 6896 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,1,0,0,0,0|1,0,1]=4 6897 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,1,0,0,0,0|1,0,1]=4 6898 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [1,1,0,0,0,0|1,0,1]=4 6899 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [1,1,0,0,0,0|1,0,1]=4 6900 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,1,0,0,0,0|0,0,1]=3 6901 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,1,0,0,0,0|0,0,1]=3 6902 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,1,0,0,0,0|1,0,1]=4 6903 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,1,0,0,0,0|1,0,1]=4 6904 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,1,0,0,0,0|1,0,1]=4 6905 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,1,0,0,0,0|1,0,1]=4 6906 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,1,0,0,0,0|1,0,1]=4 6907 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,1,0,0,0,0|1,0,1]=4 6908 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,1,0,0,0,0|1,0,1]=4 6909 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,1,0,0,0,0|0,0,1]=3 6910 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,1,0,0,0,0|0,0,1]=3 6911 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,1,0,0,0,0|1,0,1]=4 6912 B9R0.46 C=CC(C)COCCCC 34a_100011215527_100000210210 [1,1,0,0,0,0|2,0,0]=4 6913 B9R0.46 C=CC(C)COCCCC 7a_100011215527_100000210211 [1,1,0,0,0,0|2,0,0]=4 6914 B9R0.46 C=CC(C)OCCCCC 34a_100000695699_100000718602 [1,1,0,0,0,0|2,0,0]=4 6915 B9R0.46 C=CC(C)SCCCCC 62a_100011215867_100000210326 [1,1,0,0,0,0|2,0,0]=4 6916 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [1,1,0,0,0,0|2,0,0]=4 6917 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [1,1,0,0,0,0|2,0,0]=4 6918 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [1,1,0,0,0,0|2,0,0]=4 6919 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [1,1,0,0,0,0|2,0,0]=4 6920 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [1,1,0,0,0,0|2,0,0]=4 6921 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [1,1,0,0,0,0|2,0,0]=4 6922 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|1,0,1]=4 6923 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|1,0,1]=4 6924 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [1,1,0,0,0,0|2,0,0]=4 6925 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [1,1,0,0,0,0|2,0,0]=4 6926 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [1,1,0,0,0,0|2,0,0]=4 6927 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [1,1,0,0,0,0|2,0,0]=4 6928 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [1,1,0,0,0,0|2,0,0]=4 6929 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [1,1,0,0,0,0|2,0,0]=4 6930 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [1,1,0,0,0,0|2,0,0]=4 6931 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [1,1,0,0,0,0|2,0,0]=4 6932 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [1,1,0,0,0,0|2,0,0]=4 6933 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [1,1,0,0,0,0|2,0,0]=4 6934 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [1,1,0,0,0,0|2,0,0]=4 6935 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [1,1,0,0,0,0|2,0,0]=4 6936 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [1,1,0,0,0,0|2,0,0]=4 6937 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [1,1,0,0,0,0|2,0,0]=4 6938 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [1,1,0,0,0,0|2,0,0]=4 6939 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [1,1,0,0,0,0|2,0,0]=4 6940 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [1,1,0,0,0,0|2,0,0]=4 6941 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [1,1,0,0,0,0|2,0,0]=4 6942 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [1,1,0,0,0,0|2,0,0]=4 6943 B9R0.46 C=CCCOCC(O)CC 34a_100011205117_100011218378 [1,1,0,0,0,0|2,0,0]=4 6944 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [1,1,0,0,0,0|2,0,0]=4 6945 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [1,1,0,0,0,0|2,0,0]=4 6946 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [1,1,0,0,0,0|2,0,0]=4 6947 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [1,1,0,0,0,0|2,0,0]=4 6948 B9R0.46 C=CCCSCC(O)CC 62a_100000754431_100011218378 [1,1,0,0,0,0|2,0,0]=4 6949 B9R0.46 C=CCCSCC(O)CC 62a_100011218378_100000754431 [1,1,0,0,0,0|2,0,0]=4 6950 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [1,1,0,0,0,0|2,0,0]=4 6951 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [1,1,0,0,0,0|2,0,0]=4 6952 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [1,1,0,0,0,0|2,0,0]=4 6953 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [1,1,0,0,0,0|2,0,0]=4 6954 B9R0.46 C=C[C@H](N)COCCCC 34a_100016989147_100000210210 [1,1,0,0,0,0|2,0,0]=4 6955 B9R0.46 CC(CF)OCCCC=O 7a_100016041109_200011292268 [1,1,0,0,0,0|2,0,0]=4 6956 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [1,1,0,0,0,0|2,0,0]=4 6957 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [1,1,0,0,0,0|2,0,0]=4 6958 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [1,1,0,0,0,0|2,0,0]=4 6959 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|0,0,2]=4 6960 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|0,0,2]=4 6961 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [1,1,0,0,0,0|1,0,0]=3 6962 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|1,0,1]=4 6963 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [1,1,0,0,0,0|1,0,0]=3 6964 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|1,0,1]=4 6965 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,1,0,0,0,0|1,0,1]=4 6966 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,1,0,0,0,0|1,0,1]=4 6967 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,1,0,0,0,0|1,0,1]=4 6968 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,1,0,0,0,0|1,0,1]=4 6969 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [1,1,0,0,0,0|1,0,0]=3 6970 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,1,0,0,0,0|1,0,1]=4 6971 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,1,0,0,0,0|1,0,1]=4 6972 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,1]=4 6973 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [1,1,0,0,0,0|1,0,0]=3 6974 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,1]=4 6975 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [1,1,0,0,0,0|1,0,0]=3 6976 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [1,1,0,0,0,0|1,0,0]=3 6977 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,1,0,0,0,0|1,0,1]=4 6978 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,1,0,0,0,0|1,0,1]=4 6979 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,1,0,0,0,0|1,0,1]=4 6980 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,1,0,0,0,0|1,0,1]=4 6981 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,1,0,0,0,0|1,0,1]=4 6982 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|0,0,2]=4 6983 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,1,0,0,0,0|2,0,0]=4 6984 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,1,0,0,0,0|2,0,0]=4 6985 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,1,0,0,0,0|2,0,0]=4 6986 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,1,0,0,0,0|2,0,0]=4 6987 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,1,0,0,0,0|2,0,0]=4 6988 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,1,0,0,0,0|2,0,0]=4 6989 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,1,0,0,0,0|2,0,0]=4 6990 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,1,0,0,0,0|2,0,0]=4 6991 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,1,0,0,0,0|2,0,0]=4 6992 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,1,0,0,0,0|2,0,0]=4 6993 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,1,0,0,0,0|2,0,0]=4 6994 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,1,0,0,0,0|2,0,0]=4 6995 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,1,0,0,0,0|2,0,0]=4 6996 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,1,0,0,0,0|2,0,0]=4 6997 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,1,0,0,0,0|2,0,0]=4 6998 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,1,0,0,0,0|2,0,0]=4 6999 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,1,0,0,0,0|2,0,0]=4 7000 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|1,0,1]=4 7001 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|1,0,1]=4 7002 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,1]=4 7003 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,1]=4 7004 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|1,0,1]=4 7005 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|1,0,1]=4 7006 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|1,0,1]=4 7007 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,1,0,0,0,0|1,0,1]=4 7008 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,1,0,0,0,0|1,0,1]=4 7009 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,1,0,0,0,0|1,0,1]=4 7010 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,1,0,0,0,0|1,0,1]=4 7011 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,1,0,0,0,0|1,0,1]=4 7012 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,1,0,0,0,0|1,0,1]=4 7013 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,1,0,0,0,0|1,0,1]=4 7014 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,1,0,0,0,0|1,0,1]=4 7015 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,1,0,0,0,0|1,0,1]=4 7016 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 7017 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 7018 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 7019 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 7020 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 7021 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 7022 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,1,0,0,0,0|1,0,1]=4 7023 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,1,0,0,0,0|1,0,1]=4 7024 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|1,0,1]=4 7025 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|1,0,1]=4 7026 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,1,0,0,0,0|1,0,1]=4 7027 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,1,0,0,0,0|1,0,1]=4 7028 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|1,0,1]=4 7029 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|1,0,1]=4 7030 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [1,1,0,0,0,0|1,0,0]=3 7031 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [1,1,0,0,0,0|1,0,0]=3 7032 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,1,0,0,0,0|1,0,1]=4 7033 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,1,0,0,0,0|1,0,1]=4 7034 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,1,0,0,0,0|1,0,1]=4 7035 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,1,0,0,0,0|1,0,1]=4 7036 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,1,0,0,0,0|1,0,1]=4 7037 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,1,0,0,0,0|1,0,1]=4 7038 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,1,0,0,0,0|1,0,1]=4 7039 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [1,1,0,0,0,0|2,0,0]=4 7040 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [1,1,0,0,0,0|2,0,0]=4 7041 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [1,1,0,0,0,0|2,0,0]=4 7042 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [1,1,0,0,0,0|2,0,0]=4 7043 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [1,1,0,0,0,0|2,0,0]=4 7044 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [1,1,0,0,0,0|2,0,0]=4 7045 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [1,1,0,0,0,0|1,0,1]=4 7046 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|1,0,1]=4 7047 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|1,0,1]=4 7048 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,1,0,0,0,0|1,0,1]=4 7049 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,1,0,0,0,0|2,0,0]=4 7050 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,1,0,0,0,0|2,0,0]=4 7051 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,1,0,0,0,0|2,0,0]=4 7052 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,1,0,0,0,0|2,0,0]=4 7053 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [1,1,0,0,0,0|2,0,0]=4 7054 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [1,1,0,0,0,0|2,0,0]=4 7055 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [1,1,0,0,0,0|1,0,0]=3 7056 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [1,1,0,0,0,0|2,0,0]=4 7057 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [1,1,0,0,0,0|2,0,0]=4 7058 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [1,1,0,0,0,0|2,0,0]=4 7059 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [1,1,0,0,0,0|1,0,1]=4 7060 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [1,1,0,0,0,0|1,0,1]=4 7061 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [1,1,0,0,0,0|2,0,0]=4 7062 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [1,1,0,0,0,0|2,0,0]=4 7063 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,1,0,0,0,0|2,0,0]=4 7064 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,1,0,0,0,0|2,0,0]=4 7065 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,1,0,0,0,0|2,0,0]=4 7066 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [1,1,0,0,0,0|2,0,0]=4 7067 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [1,1,0,0,0,0|2,0,0]=4 7068 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [1,1,0,0,0,0|2,0,0]=4 7069 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,1,0,0,0,0|2,0,0]=4 7070 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,1,0,0,0,0|2,0,0]=4 7071 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [1,1,0,0,0,0|2,0,0]=4 7072 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [1,1,0,0,0,0|2,0,0]=4 7073 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [1,1,0,0,0,0|2,0,0]=4 7074 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [1,1,0,0,0,0|2,0,0]=4 7075 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [1,1,0,0,0,0|1,0,0]=3 7076 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [1,1,0,0,0,0|2,0,0]=4 7077 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [1,1,0,0,0,0|2,0,0]=4 7078 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [1,1,0,0,0,0|2,0,0]=4 7079 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [1,1,0,0,0,0|1,0,1]=4 7080 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [1,1,0,0,0,0|1,0,1]=4 7081 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [1,1,0,0,0,0|2,0,0]=4 7082 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [1,1,0,0,0,0|2,0,0]=4 7083 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [1,1,0,0,0,0|2,0,0]=4 7084 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [1,1,0,0,0,0|1,0,0]=3 7085 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [1,1,0,0,0,0|2,0,0]=4 7086 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [1,1,0,0,0,0|1,0,0]=3 7087 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [1,1,0,0,0,0|2,0,0]=4 7088 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [1,1,0,0,0,0|2,0,0]=4 7089 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [1,1,0,0,0,0|2,0,0]=4 7090 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [1,1,0,0,0,0|2,0,0]=4 7091 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [1,1,0,0,0,0|1,0,1]=4 7092 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [1,1,0,0,0,0|1,0,1]=4 7093 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [1,1,0,0,0,0|2,0,0]=4 7094 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [1,1,0,0,0,0|1,0,1]=4 7095 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [1,1,0,0,0,0|2,0,0]=4 7096 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [1,1,0,0,0,0|2,0,0]=4 7097 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [1,1,0,0,0,0|2,0,0]=4 7098 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [1,1,0,0,0,0|2,0,0]=4 7099 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,1,0,0,0,0|1,0,1]=4 7100 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,1,0,0,0,0|1,0,1]=4 7101 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,1,0,0,0,0|0,0,2]=4 7102 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 7103 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 7104 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 7105 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,1,0,0,0,0|2,0,0]=4 7106 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [1,1,0,0,0,0|2,0,0]=4 7107 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [1,1,0,0,0,0|2,0,0]=4 7108 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [1,1,0,0,0,0|2,0,0]=4 7109 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,1,0,0,0,0|1,0,0]=3 7110 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [1,1,0,0,0,0|1,0,1]=4 7111 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,1,0,0,0,0|1,0,0]=3 7112 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [1,1,0,0,0,0|2,0,0]=4 7113 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [1,1,0,0,0,0|2,0,0]=4 7114 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,1,0,0,0,0|2,0,0]=4 7115 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [1,1,0,0,0,0|2,0,0]=4 7116 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [1,1,0,0,0,0|2,0,0]=4 7117 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [1,1,0,0,0,0|2,0,0]=4 7118 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [1,1,0,0,0,0|2,0,0]=4 7119 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [1,1,0,0,0,0|2,0,0]=4 7120 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|1,0,0]=3 7121 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|1,0,0]=3 7122 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|1,0,0]=3 7123 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [1,1,0,0,0,0|2,0,0]=4 7124 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [1,1,0,0,0,0|2,0,0]=4 7125 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [1,1,0,0,0,0|2,0,0]=4 7126 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [1,1,0,0,0,0|2,0,0]=4 7127 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [1,1,0,0,0,0|2,0,0]=4 7128 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [1,1,0,0,0,0|2,0,0]=4 7129 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [1,1,0,0,0,0|2,0,0]=4 7130 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [1,1,0,0,0,0|2,0,0]=4 7131 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [1,1,0,0,0,0|2,0,0]=4 7132 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [1,1,0,0,0,0|2,0,0]=4 7133 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [1,1,0,0,0,0|1,0,0]=3 7134 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [1,1,0,0,0,0|2,0,0]=4 7135 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [1,1,0,0,0,0|2,0,0]=4 7136 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,1,0,0,0,0|2,0,0]=4 7137 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,1,0,0,0,0|2,0,0]=4 7138 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [1,1,0,0,0,0|2,0,0]=4 7139 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [1,1,0,0,0,0|2,0,0]=4 7140 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [1,1,0,0,0,0|2,0,0]=4 7141 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [1,1,0,0,0,0|2,0,0]=4 7142 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [1,1,0,0,0,0|1,0,1]=4 7143 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [1,1,0,0,0,0|1,0,1]=4 7144 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [1,1,0,0,0,0|2,0,0]=4 7145 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [1,1,0,0,0,0|2,0,0]=4 7146 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [1,1,0,0,0,0|2,0,0]=4 7147 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [1,1,0,0,0,0|2,0,0]=4 7148 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [1,1,0,0,0,0|2,0,0]=4 7149 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [1,1,0,0,0,0|2,0,0]=4 7150 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [1,1,0,0,0,0|2,0,0]=4 7151 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [1,1,0,0,0,0|2,0,0]=4 7152 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [1,1,0,0,0,0|2,0,0]=4 7153 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [1,1,0,0,0,0|2,0,0]=4 7154 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [1,1,0,0,0,0|1,0,1]=4 7155 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [1,1,0,0,0,0|1,0,1]=4 7156 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,1,0,0,0,0|1,0,0]=3 7157 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [1,1,0,0,0,0|1,0,0]=3 7158 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [1,1,0,0,0,0|2,0,0]=4 7159 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [1,1,0,0,0,0|2,0,0]=4 7160 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 7161 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [1,1,0,0,0,0|2,0,0]=4 7162 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [1,1,0,0,0,0|2,0,0]=4 7163 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [1,1,0,0,0,0|2,0,0]=4 7164 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [1,1,0,0,0,0|2,0,0]=4 7165 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [1,1,0,0,0,0|2,0,0]=4 7166 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [1,1,0,0,0,0|2,0,0]=4 7167 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [1,1,0,0,0,0|2,0,0]=4 7168 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [1,1,0,0,0,0|2,0,0]=4 7169 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [1,1,0,0,0,0|2,0,0]=4 7170 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [1,1,0,0,0,0|2,0,0]=4 7171 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [1,1,0,0,0,0|2,0,0]=4 7172 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,1,0,0,0,0|2,0,0]=4 7173 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [1,1,0,0,0,0|1,0,1]=4 7174 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [1,1,0,0,0,0|2,0,0]=4 7175 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [1,1,0,0,0,0|2,0,0]=4 7176 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,1,0,0,0,0|1,0,0]=3 7177 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [1,1,0,0,0,0|2,0,0]=4 7178 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [1,1,0,0,0,0|2,0,0]=4 7179 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [1,1,0,0,0,0|2,0,0]=4 7180 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [1,1,0,0,0,0|1,0,1]=4 7181 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [1,1,0,0,0,0|2,0,0]=4 7182 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [1,1,0,0,0,0|2,0,0]=4 7183 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [1,1,0,0,0,0|1,0,1]=4 7184 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [1,1,0,0,0,0|1,0,1]=4 7185 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [1,1,0,0,0,0|2,0,0]=4 7186 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [1,1,0,0,0,0|2,0,0]=4 7187 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [1,1,0,0,0,0|2,0,0]=4 7188 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [1,1,0,0,0,0|2,0,0]=4 7189 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [1,1,0,0,0,0|2,0,0]=4 7190 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,1,0,0,0,0|1,0,1]=4 7191 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,1,0,0,0,0|1,0,1]=4 7192 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|1,0,0]=3 7193 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|1,0,0]=3 7194 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,1,0,0,0,0|2,0,0]=4 7195 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,1,0,0,0,0|2,0,0]=4 7196 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,1,0,0,0,0|2,0,0]=4 7197 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,1,0,0,0,0|2,0,0]=4 7198 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,1,0,0,0,0|2,0,0]=4 7199 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,1,0,0,0,0|2,0,0]=4 7200 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,1,0,0,0,0|2,0,0]=4 7201 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,1,0,0,0,0|1,0,1]=4 7202 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,1,0,0,0,0|2,0,0]=4 7203 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,1,0,0,0,0|2,0,0]=4 7204 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|2,0,0]=4 7205 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|2,0,0]=4 7206 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|2,0,0]=4 7207 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|2,0,0]=4 7208 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,1,0,0,0,0|2,0,0]=4 7209 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,1,0,0,0,0|2,0,0]=4 7210 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|2,0,0]=4 7211 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|2,0,0]=4 7212 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|2,0,0]=4 7213 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|2,0,0]=4 7214 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,1,0,0,0,0|2,0,0]=4 7215 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,1,0,0,0,0|2,0,0]=4 7216 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 7217 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 7218 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 7219 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,1,0,0,0,0|2,0,0]=4 7220 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [1,1,0,0,0,0|2,0,0]=4 7221 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [1,1,0,0,0,0|1,0,1]=4 7222 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [1,1,0,0,0,0|2,0,0]=4 7223 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|1,0,0]=3 7224 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [1,1,0,0,0,0|2,0,0]=4 7225 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,1,0,0,0,0|1,0,0]=3 7226 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [1,1,0,0,0,0|2,0,0]=4 7227 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [1,1,0,0,0,0|2,0,0]=4 7228 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [1,1,0,0,0,0|1,0,1]=4 7229 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [1,1,0,0,0,0|2,0,0]=4 7230 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [1,1,0,0,0,0|2,0,0]=4 7231 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [1,1,0,0,0,0|1,0,1]=4 7232 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [1,1,0,0,0,0|1,0,1]=4 7233 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [1,1,0,0,0,0|2,0,0]=4 7234 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [1,1,0,0,0,0|2,0,0]=4 7235 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [1,1,0,0,0,0|2,0,0]=4 7236 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [1,1,0,0,0,0|2,0,0]=4 7237 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [1,1,0,0,0,0|2,0,0]=4 7238 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [1,1,0,0,0,0|2,0,0]=4 7239 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [1,1,0,0,0,0|2,0,0]=4 7240 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [1,1,0,0,0,0|2,0,0]=4 7241 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [1,1,0,0,0,0|2,0,0]=4 7242 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [1,1,0,0,0,0|2,0,0]=4 7243 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [1,1,0,0,0,0|2,0,0]=4 7244 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [1,1,0,0,0,0|2,0,0]=4 7245 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [1,1,0,0,0,0|2,0,0]=4 7246 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [1,1,0,0,0,0|2,0,0]=4 7247 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [1,1,0,0,0,0|2,0,0]=4 7248 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [1,1,0,0,0,0|2,0,0]=4 7249 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [1,1,0,0,0,0|2,0,0]=4 7250 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,1,0,0,0,0|1,0,0]=3 7251 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [1,1,0,0,0,0|2,0,0]=4 7252 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [1,1,0,0,0,0|2,0,0]=4 7253 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [1,1,0,0,0,0|1,0,1]=4 7254 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [1,1,0,0,0,0|1,0,1]=4 7255 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [1,1,0,0,0,0|2,0,0]=4 7256 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [1,1,0,0,0,0|2,0,0]=4 7257 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [1,1,0,0,0,0|2,0,0]=4 7258 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [1,1,0,0,0,0|2,0,0]=4 7259 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [1,1,0,0,0,0|2,0,0]=4 7260 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [1,1,0,0,0,0|2,0,0]=4 7261 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [1,1,0,0,0,0|2,0,0]=4 7262 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [1,1,0,0,0,0|2,0,0]=4 7263 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [1,1,0,0,0,0|2,0,0]=4 7264 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [1,1,0,0,0,0|2,0,0]=4 7265 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [1,1,0,0,0,0|1,0,1]=4 7266 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [1,1,0,0,0,0|2,0,0]=4 7267 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [1,1,0,0,0,0|2,0,0]=4 7268 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [1,1,0,0,0,0|2,0,0]=4 7269 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [1,1,0,0,0,0|2,0,0]=4 7270 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [1,1,0,0,0,0|2,0,0]=4 7271 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [1,1,0,0,0,0|2,0,0]=4 7272 B11R0.1 CCCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747444 [0,2,0,0,0,0|1,0,1]=4 7273 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100000748435_100000187820 [0,2,0,0,0,0|1,0,1]=4 7274 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100134613110_100011216630 [0,2,0,0,0,0|1,0,1]=4 7275 B11R0.1 CCCC(C)CC(=O)CC(=O)[O-] 1458a_100000748435_100020667443 [0,2,0,0,0,0|0,0,2]=4 7276 B11R0.1 CCCC(C)CN(C)CC(=O)N 2230a_100000739694_100011216630 [0,2,0,0,0,0|2,0,0]=4 7277 B11R0.1 CCCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243154 [0,2,0,0,0,0|2,0,0]=4 7278 B11R0.1 CCCC(C)CN(C)CC(=O)O 269956a_100000746989_100011216630 [0,2,0,0,0,0|1,0,0]=3 7279 B11R0.1 COCC(O)CN(C)CC(=O)O 269956a_100000746989_100011215053 [0,2,0,0,0,0|2,0,0]=4 7280 B11R0.6 C=C(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748629 [0,2,0,0,0,0|1,0,1]=4 7281 B11R0.6 C=C(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748629 [0,2,0,0,0,0|1,0,1]=4 7282 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,2,0,0,0,0|1,0,1]=4 7283 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,2,0,0,0,0|1,0,1]=4 7284 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,2,0,0,0,0|1,0,1]=4 7285 B11R0.6 CC(=O)CCCN(C)CC(C)C 269982a_100000747067_100011215641 [0,2,0,0,0,0|2,0,0]=4 7286 B11R0.6 CC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011215641 [0,2,0,0,0,0|2,0,0]=4 7287 B11R0.6 CC(=O)CCOC(C)CC(C)C 34a_100000759926_100000731052 [0,2,0,0,0,0|2,0,0]=4 7288 B11R0.6 CC(=O)CCOC(C)CC(C)C 7a_100000211805_100000053229 [0,2,0,0,0,0|2,0,0]=4 7289 B11R0.6 CC(=O)CCOC(C)CC(C)C 7a_100000759926_100000731052 [0,2,0,0,0,0|2,0,0]=4 7290 B11R0.6 CC(=O)CCSC(C)CC(C)C 62a_100000053229_100000731052 [0,2,0,0,0,0|2,0,0]=4 7291 B11R0.6 CC(=O)CCSC(C)CC(C)C 62a_100000731052_100000053229 [0,2,0,0,0,0|2,0,0]=4 7292 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,2,0,0,0,0|2,0,0]=4 7293 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,2,0,0,0,0|2,0,0]=4 7294 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,2,0,0,0,0|2,0,0]=4 7295 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,2,0,0,0,0|2,0,0]=4 7296 B11R0.6 CC(C)CC(=O)CCCC(=O)N 1458a_100000210554_100102525003 [0,2,0,0,0,0|1,0,1]=4 7297 B11R0.6 CC(C)CC(C)NCCC(=O)N 2230a_100000692259_100000744528 [0,2,0,0,0,0|2,0,0]=4 7298 B11R0.6 CC(C)CC(C)NOCC(=O)O 269956a_100000106656_100000731052 [0,2,0,0,0,0|2,0,0]=4 7299 B11R0.6 CC(C)CC(C)OCCC(=O)N 34a_100000211805_100000731001 [0,2,0,0,0,0|2,0,0]=4 7300 B11R0.6 CC(C)CC(C)OCCC(=O)N 34a_100000757172_100000731052 [0,2,0,0,0,0|2,0,0]=4 7301 B11R0.6 CC(C)CC(C)OCCC(=O)N 7a_100000211805_100000744528 [0,2,0,0,0,0|2,0,0]=4 7302 B11R0.6 CC(C)CC(C)OCCC(=O)N 7a_100000757172_100000731052 [0,2,0,0,0,0|2,0,0]=4 7303 B11R0.6 CC(C)CC(C)SCCC(=O)N 62a_100000731052_100000744528 [0,2,0,0,0,0|2,0,0]=4 7304 B11R0.6 CC(C)CC(C)SCCC(=O)N 62a_100000744528_100000731052 [0,2,0,0,0,0|2,0,0]=4 7305 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [0,2,0,0,0,0|1,0,1]=4 7306 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [0,2,0,0,0,0|1,0,1]=4 7307 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [0,2,0,0,0,0|0,0,2]=4 7308 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [0,2,0,0,0,0|2,0,0]=4 7309 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,2,0,0,0,0|1,0,0]=3 7310 B11R0.6 CC(C)CN(C)CCCC(=O)N 269982a_100000747067_100102525003 [0,2,0,0,0,0|2,0,0]=4 7311 B11R0.6 CC(C)CN(C)CCCC(=O)O 269956a_100000719178_100000210760 [0,2,0,0,0,0|1,0,0]=3 7312 B11R0.6 CC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000210760 [0,2,0,0,0,0|1,0,0]=3 7313 B11R0.6 CC(C)C[C@H](N)COCC(=O)N 34a_100011830311_100000187820 [0,2,0,0,0,0|2,0,0]=4 7314 B11R0.6 CC(C)C[C@H](N)COCC(=O)[O-] 34a_100011830311_100020667443 [0,2,0,0,0,0|1,0,1]=4 7315 B11R0.6 CC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_100000210206 [0,2,0,0,0,0|1,0,1]=4 7316 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [0,2,0,0,0,0|2,0,0]=4 7317 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [0,2,0,0,0,0|2,0,0]=4 7318 B11R0.6 CC(CNCC(=O)O)CN(C)C 269956a_100016091260_100015348159 [0,2,0,0,0,0|2,0,0]=4 7319 B11R0.6 CC(O)CCCC(=O)CC(=O)N 1458a_100134613110_200000718107 [0,2,0,0,0,0|1,0,1]=4 7320 B11R0.6 CC(O)CCCN(C)CC(=O)N 2230a_100000739694_200000718107 [0,2,0,0,0,0|2,0,0]=4 7321 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,2,0,0,0,0|1,0,0]=3 7322 B11R0.6 CC(O)CN(C)CCCC(=O)N 269982a_100000227577_100102525003 [0,2,0,0,0,0|2,0,0]=4 7323 B11R0.6 CC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218427 [0,2,0,0,0,0|1,0,0]=3 7324 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,2,0,0,0,0|1,0,0]=3 7325 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [0,2,0,0,0,0|2,0,0]=4 7326 B11R0.6 CN(CCCC(=O)O)CC(F)F 269956a_100000719178_100011934356 [0,2,0,0,0,0|2,0,0]=4 7327 B11R0.6 C[C@@H](O)CC(=O)CCCC(=O)N 1458a_100011933948_100102525003 [0,2,0,0,0,0|1,0,1]=4 7328 B11R0.6 C[C@@H](O)CN(C)CCCC(=O)O 269956a_100000719178_100009817552 [0,2,0,0,0,0|1,0,0]=3 7329 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,2,0,0,0,0|1,0,0]=3 7330 B11R0.6 O=C(O)CC(O)CNCC(F)F 269956a_100011218706_100011934356 [0,2,0,0,0,0|2,0,0]=4 7331 B11R0.45 C#CC(CCC)OCCC(=O)C 7a_200011217317_100000053229 [0,2,0,0,0,0|2,0,0]=4 7332 B11R0.45 C#CC(CCC)OCCC(=O)N 34a_200011217317_100000731001 [0,2,0,0,0,0|2,0,0]=4 7333 B11R0.45 C#CC(CCC)OCCC(=O)N 7a_200011217317_100000744528 [0,2,0,0,0,0|2,0,0]=4 7334 B11R0.45 C=CC(CCC)OCCC(=O)C 7a_100011216692_100000053229 [0,2,0,0,0,0|2,0,0]=4 7335 B11R0.45 C=CC(CCC)OCCC(=O)N 34a_100011216692_100000731001 [0,2,0,0,0,0|2,0,0]=4 7336 B11R0.45 C=CC(CCC)OCCC(=O)N 7a_100011216692_100000744528 [0,2,0,0,0,0|2,0,0]=4 7337 B11R0.45 CCCC(C#N)OCCC(=O)C 7a_100000686963_100000053229 [0,2,0,0,0,0|2,0,0]=4 7338 B11R0.45 CCCC(C#N)OCCC(=O)N 34a_100000686963_100000731001 [0,2,0,0,0,0|2,0,0]=4 7339 B11R0.45 CCCC(C#N)OCCC(=O)N 7a_100000686963_100000744528 [0,2,0,0,0,0|2,0,0]=4 7340 B11R0.45 CCCC(CC)NCCC(=O)N 2230a_100000747048_100000744528 [0,2,0,0,0,0|2,0,0]=4 7341 B11R0.45 CCCC(CC)NOCC(=O)O 269956a_100000106656_100011219200 [0,2,0,0,0,0|2,0,0]=4 7342 B11R0.45 CCCC(CC)OCCC(=O)C 7a_100000687864_100000053229 [0,2,0,0,0,0|2,0,0]=4 7343 B11R0.45 CCCC(CC)OCCC(=O)C 7a_100000759926_100011219200 [0,2,0,0,0,0|2,0,0]=4 7344 B11R0.45 CCCC(CC)OCCC(=O)N 34a_100000687864_100000731001 [0,2,0,0,0,0|2,0,0]=4 7345 B11R0.45 CCCC(CC)OCCC(=O)N 7a_100000687864_100000744528 [0,2,0,0,0,0|2,0,0]=4 7346 B11R0.45 CCCC(CC)OCCC(=O)N 7a_100000757172_100011219200 [0,2,0,0,0,0|2,0,0]=4 7347 B11R0.45 CCCC(CC)SCCC(=O)C 62a_100000053229_100011219200 [0,2,0,0,0,0|2,0,0]=4 7348 B11R0.45 CCCC(CC)SCCC(=O)C 62a_100011219200_100000053229 [0,2,0,0,0,0|2,0,0]=4 7349 B11R0.45 CCCC(CC)SCCC(=O)N 62a_100000744528_100011219200 [0,2,0,0,0,0|2,0,0]=4 7350 B11R0.45 CCCC(CC)SCCC(=O)N 62a_100011219200_100000744528 [0,2,0,0,0,0|2,0,0]=4 7351 B11R0.45 CCCN(CC)CCCC(=O)C 269982a_100000226822_100011215641 [0,2,0,0,0,0|2,0,0]=4 7352 B11R0.45 CCCN(CC)CCCC(=O)N 269982a_100000226822_100102525003 [0,2,0,0,0,0|2,0,0]=4 7353 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 2230a_100000732646_100000744528 [0,2,0,0,0,0|2,0,0]=4 7354 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 34a_100000732646_100000731001 [0,2,0,0,0,0|2,0,0]=4 7355 B11R0.59 CCCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000766640 [0,2,0,0,0,0|1,0,1]=4 7356 B11R0.59 CCCC(C)C(C)OCC(=O)N 34a_100000708338_100000187820 [0,2,0,0,0,0|2,0,0]=4 7357 B11R0.59 CCCC(C)C(C)OCC(=O)N 7a_100000708338_100000187820 [0,2,0,0,0,0|2,0,0]=4 7358 B11R0.59 CCCC(C)C(C)OCC(=O)[O-] 34a_100000708338_100020667443 [0,2,0,0,0,0|1,0,1]=4 7359 B11R0.59 CCCC(C)N(C)CCC(=O)N 2230a_100000730477_100000766640 [0,2,0,0,0,0|2,0,0]=4 7360 B11R0.59 CCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000211909 [0,2,0,0,0,0|2,0,0]=4 7361 B11R0.104 CCCC(C)(C)COCC(=O)N 7a_100011995695_100000187820 [0,2,0,0,0,0|2,0,0]=4 7362 B11R0.104 CCCC(C)(C)OCCC(=O)C 7a_100000748436_100000053229 [0,2,0,0,0,0|2,0,0]=4 7363 B11R0.104 CCCC(C)(C)OCCC(=O)N 7a_100000748436_100000744528 [0,2,0,0,0,0|2,0,0]=4 7364 B11R0.141 CC(CCO)NCC(C)C(=O)O 269956a_100000749485_100009893172 [0,2,0,0,0,0|2,0,0]=4 7365 B11R0.141 CC(CCO)NCC(F)C(=O)O 269956a_100000084737_100009893172 [0,2,0,0,0,0|2,0,0]=4 7366 B11R0.141 CCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747444 [0,2,0,0,0,0|1,0,1]=4 7367 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,2,0,0,0,0|1,0,0]=3 7368 B11R0.141 CCCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100011216630 [0,2,0,0,0,0|2,0,0]=4 7369 B11R0.141 CCCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243154 [0,2,0,0,0,0|2,0,0]=4 7370 B11R0.141 CCCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100011216630 [0,2,0,0,0,0|2,0,0]=4 7371 B11R0.141 CCCC(C)COC(C)C(=O)C 34a_100000212229_100011216630 [0,2,0,0,0,0|2,0,0]=4 7372 B11R0.141 CCCC(C)COC(C)C(=O)C 7a_100000688023_100000179758 [0,2,0,0,0,0|2,0,0]=4 7373 B11R0.141 CCCC(C)COC(C)C(=O)N 34a_100000688023_100000702099 [0,2,0,0,0,0|2,0,0]=4 7374 B11R0.141 CCCC(C)COC(C)C(=O)N 7a_100000688023_100000702099 [0,2,0,0,0,0|2,0,0]=4 7375 B11R0.141 CCCC(C)COC(F)C(=O)N 34a_100000688023_100009813875 [0,2,0,0,0,0|2,0,0]=4 7376 B11R0.141 CCCC(C)COC(F)C(=O)N 7a_100000688023_100009813875 [0,2,0,0,0,0|2,0,0]=4 7377 B11R0.141 CCCC(C)COC(F)C(=O)[O-] 34a_100000688023_100020610796 [0,2,0,0,0,0|1,0,1]=4 7378 B11R0.141 CCCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011216630 [0,2,0,0,0,0|1,0,1]=4 7379 B11R0.141 CCCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100011216630 [0,2,0,0,0,0|2,0,0]=4 7380 B11R0.141 CCCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100011216630 [0,2,0,0,0,0|2,0,0]=4 7381 B11R0.141 CCCC(C)CSC(C)C(=O)C 62a_100009814033_100011216630 [0,2,0,0,0,0|2,0,0]=4 7382 B11R0.141 CCCC(C)CSC(C)C(=O)C 62a_100011216630_100009814033 [0,2,0,0,0,0|2,0,0]=4 7383 B11R0.141 CCCC(C)CSC(C)C(=O)N 62a_100000702099_100011216630 [0,2,0,0,0,0|2,0,0]=4 7384 B11R0.141 CCCC(C)CSC(C)C(=O)N 62a_100011216630_100000702099 [0,2,0,0,0,0|2,0,0]=4 7385 B11R0.141 CCCC(C)CSC(F)C(=O)N 62a_100009813875_100011216630 [0,2,0,0,0,0|2,0,0]=4 7386 B11R0.141 CCCC(C)CSC(F)C(=O)N 62a_100011216630_100009813875 [0,2,0,0,0,0|2,0,0]=4 7387 B11R0.141 CCCC(C)CSC(F)C(=O)[O-] 62a_100011216630_100020610796 [0,2,0,0,0,0|1,0,1]=4 7388 B11R0.141 CCCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100011216630 [0,2,0,0,0,0|1,0,1]=4 7389 B11R0.141 CCCC(C)NCC(C)C(=O)O 269956a_100000749485_100000766640 [0,2,0,0,0,0|1,0,0]=3 7390 B11R0.141 CCCC(C)NCC(F)C(=O)O 269956a_100000084737_100000766640 [0,2,0,0,0,0|1,0,0]=3 7391 B11R0.141 CCCC(C)OCC(C)C(=O)C 34a_100000032740_100000766640 [0,2,0,0,0,0|2,0,0]=4 7392 B11R0.141 CCCC(C)OCC(C)C(=O)C 7a_100000032740_100000766640 [0,2,0,0,0,0|2,0,0]=4 7393 B11R0.141 CCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000766640 [0,2,0,0,0,0|2,0,0]=4 7394 B11R0.141 CCC[C@H](N)COC(C)C(=O)N 34a_100000732646_100000702099 [0,2,0,0,0,0|2,0,0]=4 7395 B11R0.141 CCC[C@H](N)COC(F)C(=O)N 34a_100000732646_100009813875 [0,2,0,0,0,0|2,0,0]=4 7396 B11R0.141 CCC[C@H](N)COC(F)C(=O)[O-] 34a_100000732646_100020610796 [0,2,0,0,0,0|1,0,1]=4 7397 B11R0.141 COCC(C)NCC(C)C(=O)O 269956a_100000749485_100000765312 [0,2,0,0,0,0|2,0,0]=4 7398 B11R0.141 COCC(C)NCC(F)C(=O)O 269956a_100000084737_100000765312 [0,2,0,0,0,0|2,0,0]=4 7399 B11R0.141 COCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011215053 [0,2,0,0,0,0|2,0,0]=4 7400 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,2,0,0,0,0|1,0,1]=4 7401 B11R0.145 CCC(C)C(=O)CCCC(=O)N 1458a_100011192722_100102525003 [0,2,0,0,0,0|1,0,1]=4 7402 B11R0.145 CCC(C)C(C)NCCC(=O)N 269862a_100000740010_100000210599 [0,2,0,0,0,0|2,0,0]=4 7403 B11R0.145 CCC(C)C(C)OCCC(=O)C 7a_100011215189_100000053229 [0,2,0,0,0,0|2,0,0]=4 7404 B11R0.145 CCC(C)C(C)OCCC(=O)N 7a_100011215189_100000744528 [0,2,0,0,0,0|2,0,0]=4 7405 B11R0.145 CCC(C)N(C)CCCC(=O)C 269982a_100000741768_100011215641 [0,2,0,0,0,0|2,0,0]=4 7406 B11R0.145 CCC(C)N(C)CCCC(=O)N 269982a_100000741768_100102525003 [0,2,0,0,0,0|2,0,0]=4 7407 B11R0.145 CCC(C)N(C)CCCC(=O)O 269956a_100000719178_100000758301 [0,2,0,0,0,0|1,0,0]=3 7408 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,2,0,0,0,0|1,0,1]=4 7409 B11R0.145 CCC(O)C(=O)CCCC(=O)N 1458a_100011196387_100102525003 [0,2,0,0,0,0|1,0,1]=4 7410 B11R0.145 COC(C)N(C)CCCC(=O)O 269956a_100000719178_100009879195 [0,2,0,0,0,0|2,0,0]=4 7411 B11R0.145 C[C@H](CO)N(C)CCCC(=O)O 269956a_100000719178_100016084084 [0,2,0,0,0,0|2,0,0]=4 7412 B11R0.147 C#CCCN(C)CCCC(=O)O 269956a_100000719178_100000688953 [0,2,0,0,0,0|0,0,2]=4 7413 B11R0.147 C/C=C/CN(C)CCCC(=O)O 269956a_100000719178_100102629194 [0,2,0,0,0,0|0,0,2]=4 7414 B11R0.147 C=C(Br)CCOC(C)CCCC 34a_100009813270_200011215066 [0,2,0,0,0,0|2,0,0]=4 7415 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [0,2,0,0,0,0|2,0,0]=4 7416 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [0,2,0,0,0,0|2,0,0]=4 7417 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [0,2,0,0,0,0|2,0,0]=4 7418 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [0,2,0,0,0,0|2,0,0]=4 7419 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [0,2,0,0,0,0|2,0,0]=4 7420 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [0,2,0,0,0,0|2,0,0]=4 7421 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [0,2,0,0,0,0|2,0,0]=4 7422 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [0,2,0,0,0,0|2,0,0]=4 7423 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [0,2,0,0,0,0|2,0,0]=4 7424 B11R0.147 C=C(F)COCC(C)CCCC 34a_100011995851_100009893438 [0,2,0,0,0,0|2,0,0]=4 7425 B11R0.147 C=C(F)COCC(C)CCCC 7a_100011995851_100000042424 [0,2,0,0,0,0|2,0,0]=4 7426 B11R0.147 C=C(F)COC[C@@H](N)CCCC 34a_100011934283_100009893438 [0,2,0,0,0,0|2,0,0]=4 7427 B11R0.147 C=CCCN(C)CCCC(=O)O 269956a_100000719178_100000754431 [0,2,0,0,0,0|0,0,2]=4 7428 B11R0.147 CC#CCN(C)CCCC(=O)O 269956a_100000719178_100000748600 [0,2,0,0,0,0|0,0,2]=4 7429 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,2,0,0,0,0|2,0,0]=4 7430 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [0,2,0,0,0,0|2,0,0]=4 7431 B11R0.147 CC(CCCC(=O)[O-])OCCF 7a_100000761597_100011217306 [0,2,0,0,0,0|1,0,1]=4 7432 B11R0.147 CC(CCCC(=O)[O-])OCCO 7a_100000761597_100000211926 [0,2,0,0,0,0|1,0,1]=4 7433 B11R0.147 CC(CCCCl)OCCC(=O)N 34a_200000718107_100000731001 [0,2,0,0,0,0|2,0,0]=4 7434 B11R0.147 CC(CCCCl)OCCC(=O)N 7a_200000718107_100000744528 [0,2,0,0,0,0|2,0,0]=4 7435 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|1,0,0]=3 7436 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,2,0,0,0,0|1,0,0]=3 7437 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,2,0,0,0,0|1,0,1]=4 7438 B11R0.147 CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210211 [0,2,0,0,0,0|1,0,1]=4 7439 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,2,0,0,0,0|1,0,1]=4 7440 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,2,0,0,0,0|1,0,1]=4 7441 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210211 [0,2,0,0,0,0|1,0,1]=4 7442 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000210183_200000034859 [0,2,0,0,0,0|1,0,1]=4 7443 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,2,0,0,0,0|1,0,1]=4 7444 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,2,0,0,0,0|1,0,1]=4 7445 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,2,0,0,0,0|1,0,1]=4 7446 B11R0.147 CCCCC(=O)COCC(=O)N 1458a_100011219004_100000210211 [0,2,0,0,0,0|1,0,1]=4 7447 B11R0.147 CCCCC(=O)NCCC(=O)N 11a_100000740010_100000210183 [0,2,0,0,0,0|1,0,1]=4 7448 B11R0.147 CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210183 [0,2,0,0,0,0|1,0,1]=4 7449 B11R0.147 CCCCC(=O)NCCC(=O)N 527a_100000740010_100000210183 [0,2,0,0,0,0|1,0,1]=4 7450 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [0,2,0,0,0,0|1,0,0]=3 7451 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [0,2,0,0,0,0|1,0,0]=3 7452 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [0,2,0,0,0,0|0,0,1]=3 7453 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [0,2,0,0,0,0|1,0,1]=4 7454 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [0,2,0,0,0,0|1,0,1]=4 7455 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [0,2,0,0,0,0|1,0,1]=4 7456 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [0,2,0,0,0,0|1,0,1]=4 7457 B11R0.147 CCCCC(C)COC[N+](=O)[O-] 34a_100011995851_100000761209 [0,2,0,0,0,0|1,0,1]=4 7458 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [0,2,0,0,0,0|1,0,0]=3 7459 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [0,2,0,0,0,0|1,0,1]=4 7460 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [0,2,0,0,0,0|1,0,1]=4 7461 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [0,2,0,0,0,0|1,0,1]=4 7462 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [0,2,0,0,0,0|1,0,0]=3 7463 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,2,0,0,0,0|1,0,0]=3 7464 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,2,0,0,0,0|1,0,0]=3 7465 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,2,0,0,0,0|1,0,0]=3 7466 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [0,2,0,0,0,0|1,0,0]=3 7467 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [0,2,0,0,0,0|1,0,0]=3 7468 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [0,2,0,0,0,0|1,0,0]=3 7469 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [0,2,0,0,0,0|1,0,0]=3 7470 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [0,2,0,0,0,0|1,0,1]=4 7471 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [0,2,0,0,0,0|1,0,1]=4 7472 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,2,0,0,0,0|2,0,0]=4 7473 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,2,0,0,0,0|1,0,0]=3 7474 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,2,0,0,0,0|1,0,0]=3 7475 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [0,2,0,0,0,0|1,0,0]=3 7476 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [0,2,0,0,0,0|1,0,0]=3 7477 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [0,2,0,0,0,0|1,0,1]=4 7478 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [0,2,0,0,0,0|1,0,1]=4 7479 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,2,0,0,0,0|2,0,0]=4 7480 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,2,0,0,0,0|2,0,0]=4 7481 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,2,0,0,0,0|1,0,0]=3 7482 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [0,2,0,0,0,0|1,0,0]=3 7483 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,2,0,0,0,0|0,0,0]=2 7484 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [0,2,0,0,0,0|1,0,1]=4 7485 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [0,2,0,0,0,0|1,0,1]=4 7486 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [0,2,0,0,0,0|2,0,0]=4 7487 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [0,2,0,0,0,0|2,0,0]=4 7488 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [0,2,0,0,0,0|2,0,0]=4 7489 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [0,2,0,0,0,0|2,0,0]=4 7490 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [0,2,0,0,0,0|2,0,0]=4 7491 B11R0.147 CCCCN(C)CCNC(=O)N 2230a_100000207549_200000034859 [0,2,0,0,0,0|2,0,0]=4 7492 B11R0.147 CCCCN(C)CCNC(=O)N 269982a_100000207549_200000034859 [0,2,0,0,0,0|2,0,0]=4 7493 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,2,0,0,0,0|2,0,0]=4 7494 B11R0.147 CCCCN(C)CCOC(=O)N 269982a_100000207549_200011214921 [0,2,0,0,0,0|2,0,0]=4 7495 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [0,2,0,0,0,0|1,0,0]=3 7496 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [0,2,0,0,0,0|0,0,1]=3 7497 B11R0.147 CCCC[C@H](N)COCC(C)O 34a_100011934283_100011218427 [0,2,0,0,0,0|1,0,1]=4 7498 B11R0.147 CCCC[C@H](N)COC[C@@H](C)O 34a_100011934283_100009817552 [0,2,0,0,0,0|1,0,1]=4 7499 B11R0.147 CCCC[C@H](N)COC[N+](=O)[O-] 34a_100011934283_100000761209 [0,2,0,0,0,0|1,0,1]=4 7500 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,2,0,0,0,0|1,0,1]=4 7501 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,2,0,0,0,0|1,0,1]=4 7502 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,2,0,0,0,0|1,0,1]=4 7503 B11R0.147 CCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183358 [0,2,0,0,0,0|1,0,1]=4 7504 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [0,2,0,0,0,0|1,0,1]=4 7505 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,2,0,0,0,0|0,0,1]=3 7506 B11R0.147 CCCOC(C)CNCC(=O)N 2230a_100015185124_100000747473 [0,2,0,0,0,0|2,0,0]=4 7507 B11R0.147 CCCOC(C)CNCC(=O)N 34a_100015185124_100000187820 [0,2,0,0,0,0|2,0,0]=4 7508 B11R0.147 CCCOC(C)CNCC(=O)[O-] 34a_100015185124_100020667443 [0,2,0,0,0,0|1,0,1]=4 7509 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,2,0,0,0,0|1,0,1]=4 7510 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [0,2,0,0,0,0|1,0,1]=4 7511 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [0,2,0,0,0,0|2,0,0]=4 7512 B11R0.147 CCOCC(C)OCCC(=O)N 34a_100000718985_100000731001 [0,2,0,0,0,0|2,0,0]=4 7513 B11R0.147 CCOCC(C)OCCC(=O)N 7a_100000718985_100000744528 [0,2,0,0,0,0|2,0,0]=4 7514 B11R0.147 CCOCC(O)CNCC(=O)N 2230a_102515437182_100000747473 [0,2,0,0,0,0|2,0,0]=4 7515 B11R0.147 CCOCC(O)CNCC(=O)N 34a_102515437182_100000187820 [0,2,0,0,0,0|2,0,0]=4 7516 B11R0.147 CCOCC(O)CNCC(=O)[O-] 34a_102515437182_100020667443 [0,2,0,0,0,0|1,0,1]=4 7517 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [0,2,0,0,0,0|1,0,0]=3 7518 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,2,0,0,0,0|1,0,1]=4 7519 B11R0.147 CCSCC(=O)CCCC(=O)N 1458a_100000230394_100102525003 [0,2,0,0,0,0|1,0,1]=4 7520 B11R0.147 CN(CCC#N)CCCC(=O)O 269956a_100000719178_100011215226 [0,2,0,0,0,0|1,0,1]=4 7521 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [0,2,0,0,0,0|1,0,0]=3 7522 B11R0.147 CN(CCCO)CCCC(=O)N 269982a_100000213112_100102525003 [0,2,0,0,0,0|2,0,0]=4 7523 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [0,2,0,0,0,0|1,0,0]=3 7524 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,2,0,0,0,0|1,0,1]=4 7525 B11R0.147 COCCC(=O)CCCC(=O)N 1458a_100000749529_100102525003 [0,2,0,0,0,0|1,0,1]=4 7526 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,2,0,0,0,0|2,0,0]=4 7527 B11R0.147 COCCN(C)CCCC(=O)N 269982a_100000743101_100102525003 [0,2,0,0,0,0|2,0,0]=4 7528 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [0,2,0,0,0,0|1,0,0]=3 7529 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,2,0,0,0,0|1,0,1]=4 7530 B11R0.147 CSCCC(=O)CCCC(=O)N 1458a_100000174002_100102525003 [0,2,0,0,0,0|1,0,1]=4 7531 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [0,2,0,0,0,0|2,0,0]=4 7532 B11R0.147 CSCCN(C)CCCC(=O)N 269982a_100000686725_100102525003 [0,2,0,0,0,0|2,0,0]=4 7533 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [0,2,0,0,0,0|1,0,0]=3 7534 B11R0.147 CSCC[C@H](N)COCC(=O)N 34a_100011827619_100000187820 [0,2,0,0,0,0|2,0,0]=4 7535 B11R0.147 CSCC[C@H](N)COCC(=O)[O-] 34a_100011827619_100020667443 [0,2,0,0,0,0|1,0,1]=4 7536 B11R0.147 C[C@H](CCCO)CNCC(=O)N 2230a_100160569302_100000747473 [0,2,0,0,0,0|2,0,0]=4 7537 B11R0.147 C[C@H](CCCO)CNCC(=O)N 34a_100160569302_100000187820 [0,2,0,0,0,0|2,0,0]=4 7538 B11R0.147 C[C@H](CCCO)CNCC(=O)[O-] 34a_100160569302_100020667443 [0,2,0,0,0,0|1,0,1]=4 7539 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,2,0,0,0,0|1,0,1]=4 7540 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,2,0,0,0,0|0,0,1]=3 7541 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,2,0,0,0,0|0,0,1]=3 7542 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [0,2,0,0,0,0|1,0,1]=4 7543 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [0,2,0,0,0,0|1,0,1]=4 7544 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [0,2,0,0,0,0|1,0,1]=4 7545 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,2,0,0,0,0|1,0,1]=4 7546 B11R0.174 CCCC(C)CNCC(=O)NC 2230a_100000693194_100011216630 [0,2,0,0,0,0|2,0,0]=4 7547 B11R0.174 CCCC(C)CNCC(=O)NC 270004a_100000693194_100000243154 [0,2,0,0,0,0|2,0,0]=4 7548 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,2,0,0,0,0|2,0,0]=4 7549 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,2,0,0,0,0|2,0,0]=4 7550 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [0,2,0,0,0,0|2,0,0]=4 7551 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [0,2,0,0,0,0|2,0,0]=4 7552 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [0,2,0,0,0,0|2,0,0]=4 7553 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,2,0,0,0,0|1,0,0]=3 7554 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,2,0,0,0,0|1,0,0]=3 7555 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,2,0,0,0,0|2,0,0]=4 7556 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,2,0,0,0,0|2,0,0]=4 7557 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100000183359_100011216630 [0,2,0,0,0,0|2,0,0]=4 7558 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100011216630_100000183359 [0,2,0,0,0,0|2,0,0]=4 7559 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,2,0,0,0,0|1,0,0]=3 7560 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,2,0,0,0,0|1,0,0]=3 7561 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000738227_100000766640 [0,2,0,0,0,0|2,0,0]=4 7562 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000741246_100000737683 [0,2,0,0,0,0|2,0,0]=4 7563 B11R0.174 CCCC(C)NCCC(=O)NC 270004a_100000738227_100000211909 [0,2,0,0,0,0|2,0,0]=4 7564 B11R0.174 CCCC(C)NCCC(=O)NC 34a_100000738227_100000766640 [0,2,0,0,0,0|2,0,0]=4 7565 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [0,2,0,0,0,0|1,0,0]=3 7566 B11R0.174 CCCC(C)OCCC(=NO)N 34a_100000749954_100000766640 [0,2,0,0,0,0|2,0,0]=4 7567 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000754576_100000766640 [0,2,0,0,0,0|2,0,0]=4 7568 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000764384_100012179268 [0,2,0,0,0,0|2,0,0]=4 7569 B11R0.174 CCCC(C)OCCC(=O)NC 7a_100000764384_100000737683 [0,2,0,0,0,0|2,0,0]=4 7570 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,2,0,0,0,0|1,0,0]=3 7571 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,2,0,0,0,0|1,0,0]=3 7572 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000737683_100000766640 [0,2,0,0,0,0|2,0,0]=4 7573 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000766640_100000737683 [0,2,0,0,0,0|2,0,0]=4 7574 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [0,2,0,0,0,0|1,0,0]=3 7575 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [0,2,0,0,0,0|1,0,0]=3 7576 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [0,2,0,0,0,0|2,0,0]=4 7577 B11R0.174 CCCN(C)CCCC(=O)NC 2230a_100000747261_100000741757 [0,2,0,0,0,0|2,0,0]=4 7578 B11R0.174 CCCN(C)CCCC(=O)NC 269982a_100000747261_100000741757 [0,2,0,0,0,0|2,0,0]=4 7579 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [0,2,0,0,0,0|1,0,0]=3 7580 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [0,2,0,0,0,0|1,0,0]=3 7581 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [0,2,0,0,0,0|1,0,0]=3 7582 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [0,2,0,0,0,0|2,0,0]=4 7583 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,2,0,0,0,0|1,0,0]=3 7584 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 7585 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 7586 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 7587 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,2,0,0,0,0|1,0,1]=4 7588 B11R0.174 COC(=O)CCCC(=O)CCF 1458a_100000239890_100011217306 [0,2,0,0,0,0|1,0,1]=4 7589 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100000239890_100000211926 [0,2,0,0,0,0|1,0,1]=4 7590 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100011216618_100011218270 [0,2,0,0,0,0|1,0,1]=4 7591 B11R0.174 COC(=O)CCCC(=O)CSC 1458a_100000184570_100011218270 [0,2,0,0,0,0|1,0,1]=4 7592 B11R0.174 COC(=O)CCCN(C)CCF 269982a_100000739225_100011217306 [0,2,0,0,0,0|2,0,0]=4 7593 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [0,2,0,0,0,0|2,0,0]=4 7594 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [0,2,0,0,0,0|2,0,0]=4 7595 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [0,2,0,0,0,0|2,0,0]=4 7596 B11R0.174 COC(=O)CCCN(C)CSC 269982a_100000739225_100011218213 [0,2,0,0,0,0|2,0,0]=4 7597 B11R0.174 COC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000204255 [0,2,0,0,0,0|2,0,0]=4 7598 B11R0.174 COC(=O)CCN[C@H](C)CCO 34a_100000706166_100000742370 [0,2,0,0,0,0|2,0,0]=4 7599 B11R0.174 COC(=O)CCOC(C)CCBr 34a_100012276601_100000742370 [0,2,0,0,0,0|2,0,0]=4 7600 B11R0.174 COC(=O)CCSC(C)CCO 62a_100000204255_100009893172 [0,2,0,0,0,0|2,0,0]=4 7601 B11R0.174 COC(=O)CCSC(C)CCO 62a_100009893172_100000204255 [0,2,0,0,0,0|2,0,0]=4 7602 B11R0.174 COC(=O)COCC(C)CCN 34a_106354213184_100000747449 [0,2,0,0,0,0|2,0,0]=4 7603 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [0,2,0,0,0,0|1,0,1]=4 7604 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000204255_100000765312 [0,2,0,0,0,0|2,0,0]=4 7605 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000765312_100000204255 [0,2,0,0,0,0|2,0,0]=4 7606 B11R0.174 COCC(N)COCC(=O)OC 34a_100000724102_100000747449 [0,2,0,0,0,0|2,0,0]=4 7607 B11R0.174 COCC(O)CNCC(=O)OC 2230a_100000756049_100000747449 [0,2,0,0,0,0|2,0,0]=4 7608 B11R0.174 COCC(O)CNCC(=O)OC 34a_100000756049_100000747449 [0,2,0,0,0,0|2,0,0]=4 7609 B11R0.174 COCC(O)CSCC(=O)OC 62a_100000747449_100011215053 [0,2,0,0,0,0|2,0,0]=4 7610 B11R0.174 COCC(O)CSCC(=O)OC 62a_100011215053_100000747449 [0,2,0,0,0,0|2,0,0]=4 7611 B11R0.174 COCN(C)CCCC(=O)OC 269982a_100000739225_100000766300 [0,2,0,0,0,0|2,0,0]=4 7612 B11R0.174 COC[C@@H](C)NCCC(=O)OC 2230a_100000764878_100000204255 [0,2,0,0,0,0|2,0,0]=4 7613 B11R0.174 COC[C@@H](C)OCCC(=O)OC 34a_100011934205_100000742370 [0,2,0,0,0,0|2,0,0]=4 7614 B11R0.2 C#CCCCCN(C)CC(=O)O 269956a_100000746989_100010269958 [0,2,0,0,0,0|0,0,2]=4 7615 B11R0.2 C#CCCNCC(O)CC(=O)O 269956a_100011218706_100000688953 [0,2,0,0,0,0|0,0,2]=4 7616 B11R0.2 C/C=C/CNCC(O)CC(=O)O 269956a_100011218706_100102629194 [0,2,0,0,0,0|0,0,2]=4 7617 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,2,0,0,0,0|2,0,0]=4 7618 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [0,2,0,0,0,0|2,0,0]=4 7619 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [0,2,0,0,0,0|2,0,0]=4 7620 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [0,2,0,0,0,0|2,0,0]=4 7621 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [0,2,0,0,0,0|2,0,0]=4 7622 B11R0.2 C=C(F)CC(=O)CCCCCC 1458a_100102632555_100009893438 [0,2,0,0,0,0|2,0,0]=4 7623 B11R0.2 C=C(F)CN(C)CCCCCC 2230a_106256046315_100009893438 [0,2,0,0,0,0|2,0,0]=4 7624 B11R0.2 C=C(F)CN(C)CCCCCC 269982a_106256046315_100009893438 [0,2,0,0,0,0|2,0,0]=4 7625 B11R0.2 C=CCCCCN(C)CC(=O)O 269956a_100000746989_100011215482 [0,2,0,0,0,0|0,0,2]=4 7626 B11R0.2 C=CCCNCC(O)CC(=O)O 269956a_100011218706_100000754431 [0,2,0,0,0,0|0,0,2]=4 7627 B11R0.2 CC#CCNCC(O)CC(=O)O 269956a_100011218706_100000748600 [0,2,0,0,0,0|0,0,2]=4 7628 B11R0.2 CC/C=C\CCN(C)CC(=O)O 269956a_100000746989_100015370543 [0,2,0,0,0,0|0,0,2]=4 7629 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,2,0,0,0,0|1,0,0]=3 7630 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,2,0,0,0,0|1,0,0]=3 7631 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,2,0,0,0,0|0,0,1]=3 7632 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|1,0,1]=4 7633 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|1,0,1]=4 7634 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [0,2,0,0,0,0|1,0,1]=4 7635 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,2,0,0,0,0|1,0,0]=3 7636 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,2,0,0,0,0|1,0,0]=3 7637 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,2,0,0,0,0|1,0,0]=3 7638 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,2,0,0,0,0|1,0,0]=3 7639 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [0,2,0,0,0,0|1,0,0]=3 7640 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [0,2,0,0,0,0|1,0,0]=3 7641 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [0,2,0,0,0,0|1,0,0]=3 7642 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,2,0,0,0,0|0,0,0]=2 7643 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [0,2,0,0,0,0|0,0,1]=3 7644 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,2,0,0,0,0|1,0,1]=4 7645 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,2,0,0,0,0|1,0,1]=4 7646 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,2,0,0,0,0|1,0,1]=4 7647 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,2,0,0,0,0|1,0,1]=4 7648 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,2,0,0,0,0|1,0,1]=4 7649 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,2,0,0,0,0|1,0,1]=4 7650 B11R0.2 CCCCCCN(C)C[N+](=O)[O-] 269982a_106256046315_100000761209 [0,2,0,0,0,0|1,0,1]=4 7651 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,2,0,0,0,0|1,0,1]=4 7652 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [0,2,0,0,0,0|1,0,1]=4 7653 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [0,2,0,0,0,0|1,0,1]=4 7654 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,2,0,0,0,0|2,0,0]=4 7655 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,2,0,0,0,0|2,0,0]=4 7656 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,2,0,0,0,0|0,0,0]=2 7657 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [0,2,0,0,0,0|1,0,1]=4 7658 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [0,2,0,0,0,0|1,0,1]=4 7659 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [0,2,0,0,0,0|0,0,2]=4 7660 B11R0.2 CCCCOCN(C)CC(=O)N 2230a_100000739694_100011995733 [0,2,0,0,0,0|2,0,0]=4 7661 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [0,2,0,0,0,0|1,0,0]=3 7662 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [0,2,0,0,0,0|1,0,1]=4 7663 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [0,2,0,0,0,0|0,0,2]=4 7664 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [0,2,0,0,0,0|1,0,1]=4 7665 B11R0.2 CCCOCCN(C)CC(=O)N 2230a_100000739694_100011215938 [0,2,0,0,0,0|2,0,0]=4 7666 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [0,2,0,0,0,0|1,0,0]=3 7667 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [0,2,0,0,0,0|1,0,1]=4 7668 B11R0.2 CCOCCCN(C)CC(=O)N 2230a_100000739694_100012232248 [0,2,0,0,0,0|2,0,0]=4 7669 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [0,2,0,0,0,0|1,0,0]=3 7670 B11R0.2 CCOCNCC(O)CC(=O)O 269956a_100011218706_100000739092 [0,2,0,0,0,0|1,0,0]=3 7671 B11R0.2 CN(CCCCC#N)CC(=O)O 269956a_100000746989_100011219923 [0,2,0,0,0,0|1,0,1]=4 7672 B11R0.2 CN(CCCCC=O)CC(=O)O 269956a_100000746989_100000139335 [0,2,0,0,0,0|1,0,1]=4 7673 B11R0.2 CN(CCCCCF)CC(=O)N 2230a_100000739694_100000729378 [0,2,0,0,0,0|2,0,0]=4 7674 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [0,2,0,0,0,0|1,0,0]=3 7675 B11R0.2 CN(CCCCCO)CC(=O)N 2230a_100000722520_100000747473 [0,2,0,0,0,0|2,0,0]=4 7676 B11R0.2 CN(CCCCCO)CC(=O)N 2230a_100000739694_100000746330 [0,2,0,0,0,0|2,0,0]=4 7677 B11R0.2 CN(CCCCCO)CC(=O)N 269982a_100000722520_100000187820 [0,2,0,0,0,0|2,0,0]=4 7678 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [0,2,0,0,0,0|1,0,0]=3 7679 B11R0.2 CN(CCCCCO)CC(=O)[O-] 269982a_100000722520_100020667443 [0,2,0,0,0,0|1,0,1]=4 7680 B11R0.2 CN(CCOCCO)CC(=O)O 269956a_100000746989_100011215305 [0,2,0,0,0,0|2,0,0]=4 7681 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [0,2,0,0,0,0|1,0,1]=4 7682 B11R0.2 COCCCCN(C)CC(=O)N 2230a_100000739694_100000730899 [0,2,0,0,0,0|2,0,0]=4 7683 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [0,2,0,0,0,0|1,0,0]=3 7684 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [0,2,0,0,0,0|1,0,0]=3 7685 B11R0.2 COCCOCN(C)CC(=O)O 269956a_100000746989_100000231047 [0,2,0,0,0,0|2,0,0]=4 7686 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [0,2,0,0,0,0|1,0,0]=3 7687 B11R0.2 N#CCCNCC(O)CC(=O)O 269956a_100011218706_100011215226 [0,2,0,0,0,0|1,0,1]=4 7688 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [0,2,0,0,0,0|1,0,1]=4 7689 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [0,2,0,0,0,0|1,0,1]=4 7690 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [0,2,0,0,0,0|1,0,1]=4 7691 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [0,2,0,0,0,0|1,0,0]=3 7692 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,2,0,0,0,0|1,0,0]=3 7693 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [0,2,0,0,0,0|0,0,2]=4 7694 B11R0.30 C=C(Br)CCOCCCC(C)C 34a_100009813270_100011214892 [0,2,0,0,0,0|2,0,0]=4 7695 B11R0.30 C=C(Br)CCOCCCC(C)O 34a_100009813270_200000718107 [0,2,0,0,0,0|2,0,0]=4 7696 B11R0.30 C=C(C)CCNCCCC(=O)N 34a_100000739312_100000730704 [0,2,0,0,0,0|1,0,1]=4 7697 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [0,2,0,0,0,0|2,0,0]=4 7698 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [0,2,0,0,0,0|2,0,0]=4 7699 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [0,2,0,0,0,0|1,0,1]=4 7700 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [0,2,0,0,0,0|1,0,1]=4 7701 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [0,2,0,0,0,0|1,0,1]=4 7702 B11R0.30 C=C(C)CCOCCCC(=O)N 34a_100000764851_100102525003 [0,2,0,0,0,0|1,0,1]=4 7703 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [0,2,0,0,0,0|2,0,0]=4 7704 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [0,2,0,0,0,0|2,0,0]=4 7705 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [0,2,0,0,0,0|2,0,0]=4 7706 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [0,2,0,0,0,0|2,0,0]=4 7707 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [0,2,0,0,0,0|1,0,1]=4 7708 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [0,2,0,0,0,0|1,0,1]=4 7709 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100000730704_100102525003 [0,2,0,0,0,0|1,0,1]=4 7710 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100102525003_100000730704 [0,2,0,0,0,0|1,0,1]=4 7711 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [0,2,0,0,0,0|2,0,0]=4 7712 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [0,2,0,0,0,0|2,0,0]=4 7713 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [0,2,0,0,0,0|2,0,0]=4 7714 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [0,2,0,0,0,0|2,0,0]=4 7715 B11R0.30 C=C(C)CNCCCCC(=O)N 34a_100000696515_100000748629 [0,2,0,0,0,0|1,0,1]=4 7716 B11R0.30 C=C(C)CNCCOCC(=O)O 269956a_100000700818_100000748629 [0,2,0,0,0,0|1,0,1]=4 7717 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [0,2,0,0,0,0|1,0,1]=4 7718 B11R0.30 C=C(C)COCCCCC(=O)N 34a_100012022536_100000748629 [0,2,0,0,0,0|1,0,1]=4 7719 B11R0.30 C=C(C)COCCCCC(=O)N 7a_100012022536_100000748629 [0,2,0,0,0,0|1,0,1]=4 7720 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [0,2,0,0,0,0|2,0,0]=4 7721 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [0,2,0,0,0,0|2,0,0]=4 7722 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [0,2,0,0,0,0|2,0,0]=4 7723 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [0,2,0,0,0,0|1,0,1]=4 7724 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [0,2,0,0,0,0|1,0,1]=4 7725 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [0,2,0,0,0,0|2,0,0]=4 7726 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [0,2,0,0,0,0|2,0,0]=4 7727 B11R0.30 C=C(F)COCCCCC(C)C 34a_100011214890_100009893438 [0,2,0,0,0,0|2,0,0]=4 7728 B11R0.30 C=C(F)COCCCCC(C)C 34a_200010262243_100011216152 [0,2,0,0,0,0|2,0,0]=4 7729 B11R0.30 C=C(F)COCCCCC(C)C 7a_100011214890_100000042424 [0,2,0,0,0,0|2,0,0]=4 7730 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100000042424_100011216152 [0,2,0,0,0,0|2,0,0]=4 7731 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100011216152_100000042424 [0,2,0,0,0,0|2,0,0]=4 7732 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,2,0,0,0,0|1,0,1]=4 7733 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,2,0,0,0,0|1,0,1]=4 7734 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,2,0,0,0,0|1,0,0]=3 7735 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,2,0,0,0,0|1,0,1]=4 7736 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,2,0,0,0,0|1,0,1]=4 7737 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,2,0,0,0,0|0,0,1]=3 7738 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,2,0,0,0,0|1,0,0]=3 7739 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,2,0,0,0,0|1,0,0]=3 7740 B11R0.30 CC(=O)CCCCNCC(F)F 34a_100000765723_100009817362 [0,2,0,0,0,0|2,0,0]=4 7741 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,2,0,0,0,0|1,0,1]=4 7742 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,2,0,0,0,0|1,0,0]=3 7743 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,2,0,0,0,0|1,0,0]=3 7744 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,2,0,0,0,0|1,0,0]=3 7745 B11R0.30 CC(=O)CCCCOCC(F)F 34a_100000743014_100009817362 [0,2,0,0,0,0|2,0,0]=4 7746 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,2,0,0,0,0|1,0,0]=3 7747 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,2,0,0,0,0|1,0,0]=3 7748 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,2,0,0,0,0|1,0,1]=4 7749 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,2,0,0,0,0|1,0,1]=4 7750 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,2,0,0,0,0|0,0,2]=4 7751 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,2,0,0,0,0|0,0,2]=4 7752 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,2,0,0,0,0|1,0,0]=3 7753 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,2,0,0,0,0|1,0,0]=3 7754 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,2,0,0,0,0|1,0,0]=3 7755 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,2,0,0,0,0|1,0,0]=3 7756 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100000735457_100011934356 [0,2,0,0,0,0|2,0,0]=4 7757 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100011934356_100000735457 [0,2,0,0,0,0|2,0,0]=4 7758 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,2,0,0,0,0|1,0,0]=3 7759 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,2,0,0,0,0|1,0,0]=3 7760 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,2,0,0,0,0|1,0,1]=4 7761 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,2,0,0,0,0|1,0,1]=4 7762 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,2,0,0,0,0|1,0,1]=4 7763 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,2,0,0,0,0|1,0,1]=4 7764 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,2,0,0,0,0|1,0,1]=4 7765 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,2,0,0,0,0|1,0,1]=4 7766 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,2,0,0,0,0|1,0,1]=4 7767 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,2,0,0,0,0|1,0,1]=4 7768 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,2,0,0,0,0|1,0,0]=3 7769 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,2,0,0,0,0|1,0,0]=3 7770 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,2,0,0,0,0|1,0,0]=3 7771 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,2,0,0,0,0|1,0,0]=3 7772 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,2,0,0,0,0|1,0,0]=3 7773 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,2,0,0,0,0|1,0,0]=3 7774 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,2,0,0,0,0|1,0,0]=3 7775 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [0,2,0,0,0,0|2,0,0]=4 7776 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [0,2,0,0,0,0|2,0,0]=4 7777 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,2,0,0,0,0|1,0,0]=3 7778 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [0,2,0,0,0,0|2,0,0]=4 7779 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,2,0,0,0,0|1,0,1]=4 7780 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,2,0,0,0,0|1,0,1]=4 7781 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,2,0,0,0,0|1,0,1]=4 7782 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,2,0,0,0,0|1,0,1]=4 7783 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,2,0,0,0,0|1,0,0]=3 7784 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,2,0,0,0,0|1,0,0]=3 7785 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,2,0,0,0,0|1,0,0]=3 7786 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,2,0,0,0,0|1,0,0]=3 7787 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [0,2,0,0,0,0|2,0,0]=4 7788 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100000709892_100011215641 [0,2,0,0,0,0|2,0,0]=4 7789 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100011215641_100000709892 [0,2,0,0,0,0|2,0,0]=4 7790 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,2,0,0,0,0|1,0,1]=4 7791 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,2,0,0,0,0|1,0,1]=4 7792 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,2,0,0,0,0|1,0,0]=3 7793 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,2,0,0,0,0|1,0,0]=3 7794 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,2,0,0,0,0|1,0,0]=3 7795 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,2,0,0,0,0|1,0,0]=3 7796 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,2,0,0,0,0|1,0,0]=3 7797 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [0,2,0,0,0,0|2,0,0]=4 7798 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [0,2,0,0,0,0|2,0,0]=4 7799 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [0,2,0,0,0,0|2,0,0]=4 7800 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [0,2,0,0,0,0|2,0,0]=4 7801 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [0,2,0,0,0,0|2,0,0]=4 7802 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [0,2,0,0,0,0|2,0,0]=4 7803 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [0,2,0,0,0,0|2,0,0]=4 7804 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,2,0,0,0,0|1,0,1]=4 7805 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,2,0,0,0,0|1,0,1]=4 7806 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,2,0,0,0,0|1,0,0]=3 7807 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,2,0,0,0,0|1,0,0]=3 7808 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,2,0,0,0,0|1,0,0]=3 7809 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,2,0,0,0,0|1,0,0]=3 7810 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [0,2,0,0,0,0|2,0,0]=4 7811 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [0,2,0,0,0,0|2,0,0]=4 7812 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [0,2,0,0,0,0|2,0,0]=4 7813 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [0,2,0,0,0,0|2,0,0]=4 7814 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [0,2,0,0,0,0|2,0,0]=4 7815 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,2,0,0,0,0|1,0,0]=3 7816 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,2,0,0,0,0|1,0,1]=4 7817 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,2,0,0,0,0|1,0,0]=3 7818 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,2,0,0,0,0|1,0,0]=3 7819 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,2,0,0,0,0|1,0,0]=3 7820 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [0,2,0,0,0,0|2,0,0]=4 7821 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [0,2,0,0,0,0|2,0,0]=4 7822 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [0,2,0,0,0,0|2,0,0]=4 7823 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [0,2,0,0,0,0|2,0,0]=4 7824 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [0,2,0,0,0,0|2,0,0]=4 7825 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [0,2,0,0,0,0|2,0,0]=4 7826 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [0,2,0,0,0,0|2,0,0]=4 7827 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [0,2,0,0,0,0|2,0,0]=4 7828 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [0,2,0,0,0,0|2,0,0]=4 7829 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [0,2,0,0,0,0|2,0,0]=4 7830 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [0,2,0,0,0,0|2,0,0]=4 7831 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [0,2,0,0,0,0|2,0,0]=4 7832 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [0,2,0,0,0,0|2,0,0]=4 7833 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [0,2,0,0,0,0|2,0,0]=4 7834 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [0,2,0,0,0,0|2,0,0]=4 7835 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [0,2,0,0,0,0|2,0,0]=4 7836 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [0,2,0,0,0,0|2,0,0]=4 7837 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [0,2,0,0,0,0|2,0,0]=4 7838 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [0,2,0,0,0,0|2,0,0]=4 7839 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [0,2,0,0,0,0|2,0,0]=4 7840 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,2,0,0,0,0|2,0,0]=4 7841 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [0,2,0,0,0,0|2,0,0]=4 7842 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [0,2,0,0,0,0|2,0,0]=4 7843 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,2,0,0,0,0|2,0,0]=4 7844 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,2,0,0,0,0|2,0,0]=4 7845 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,2,0,0,0,0|2,0,0]=4 7846 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,2,0,0,0,0|2,0,0]=4 7847 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [0,2,0,0,0,0|2,0,0]=4 7848 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [0,2,0,0,0,0|2,0,0]=4 7849 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [0,2,0,0,0,0|2,0,0]=4 7850 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [0,2,0,0,0,0|2,0,0]=4 7851 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [0,2,0,0,0,0|2,0,0]=4 7852 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [0,2,0,0,0,0|2,0,0]=4 7853 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,2,0,0,0,0|1,0,1]=4 7854 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [0,2,0,0,0,0|2,0,0]=4 7855 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,2,0,0,0,0|2,0,0]=4 7856 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [0,2,0,0,0,0|2,0,0]=4 7857 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [0,2,0,0,0,0|2,0,0]=4 7858 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [0,2,0,0,0,0|2,0,0]=4 7859 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [0,2,0,0,0,0|2,0,0]=4 7860 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [0,2,0,0,0,0|2,0,0]=4 7861 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [0,2,0,0,0,0|2,0,0]=4 7862 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [0,2,0,0,0,0|2,0,0]=4 7863 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,2,0,0,0,0|2,0,0]=4 7864 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,2,0,0,0,0|2,0,0]=4 7865 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,2,0,0,0,0|2,0,0]=4 7866 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,2,0,0,0,0|2,0,0]=4 7867 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,2,0,0,0,0|2,0,0]=4 7868 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,2,0,0,0,0|2,0,0]=4 7869 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,2,0,0,0,0|2,0,0]=4 7870 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,2,0,0,0,0|2,0,0]=4 7871 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [0,2,0,0,0,0|2,0,0]=4 7872 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [0,2,0,0,0,0|2,0,0]=4 7873 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,2,0,0,0,0|2,0,0]=4 7874 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,2,0,0,0,0|2,0,0]=4 7875 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [0,2,0,0,0,0|2,0,0]=4 7876 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,2,0,0,0,0|2,0,0]=4 7877 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [0,2,0,0,0,0|2,0,0]=4 7878 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [0,2,0,0,0,0|2,0,0]=4 7879 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,2,0,0,0,0|2,0,0]=4 7880 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,2,0,0,0,0|2,0,0]=4 7881 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [0,2,0,0,0,0|2,0,0]=4 7882 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [0,2,0,0,0,0|2,0,0]=4 7883 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [0,2,0,0,0,0|2,0,0]=4 7884 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [0,2,0,0,0,0|2,0,0]=4 7885 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [0,2,0,0,0,0|2,0,0]=4 7886 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,2,0,0,0,0|1,0,1]=4 7887 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [0,2,0,0,0,0|2,0,0]=4 7888 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [0,2,0,0,0,0|2,0,0]=4 7889 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [0,2,0,0,0,0|2,0,0]=4 7890 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [0,2,0,0,0,0|2,0,0]=4 7891 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [0,2,0,0,0,0|2,0,0]=4 7892 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [0,2,0,0,0,0|2,0,0]=4 7893 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [0,2,0,0,0,0|2,0,0]=4 7894 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [0,2,0,0,0,0|2,0,0]=4 7895 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [0,2,0,0,0,0|2,0,0]=4 7896 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [0,2,0,0,0,0|2,0,0]=4 7897 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [0,2,0,0,0,0|2,0,0]=4 7898 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [0,2,0,0,0,0|2,0,0]=4 7899 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [0,2,0,0,0,0|2,0,0]=4 7900 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [0,2,0,0,0,0|2,0,0]=4 7901 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [0,2,0,0,0,0|2,0,0]=4 7902 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [0,2,0,0,0,0|2,0,0]=4 7903 B11R0.30 CC(=S)OCCCNCC(=O)O 269956a_100016091260_200135323944 [0,2,0,0,0,0|1,0,1]=4 7904 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [0,2,0,0,0,0|1,0,0]=3 7905 B11R0.30 CC(Br)CCOCCOC(=O)N 34a_100009893172_200011214921 [0,2,0,0,0,0|2,0,0]=4 7906 B11R0.30 CC(Br)COCCCCB(O)O 34a_100012180447_200009817182 [0,2,0,0,0,0|1,0,1]=4 7907 B11R0.30 CC(Br)COCCOCC(=O)N 34a_100012180447_100000076697 [0,2,0,0,0,0|2,0,0]=4 7908 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,2,0,0,0,0|1,0,1]=4 7909 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,2,0,0,0,0|1,0,0]=3 7910 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [0,2,0,0,0,0|1,0,0]=3 7911 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,2,0,0,0,0|0,0,0]=2 7912 B11R0.30 CC(C)CCCCNCC(C)O 2230a_100000210904_100011216152 [0,2,0,0,0,0|1,0,1]=4 7913 B11R0.30 CC(C)CCCCNCC(C)O 34a_100000210904_100011216152 [0,2,0,0,0,0|1,0,1]=4 7914 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [0,2,0,0,0,0|1,0,0]=3 7915 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [0,2,0,0,0,0|1,0,0]=3 7916 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [0,2,0,0,0,0|0,0,1]=3 7917 B11R0.30 CC(C)CCCCOCC(C)O 34a_100011214890_100011218427 [0,2,0,0,0,0|1,0,1]=4 7918 B11R0.30 CC(C)CCCCOCC(C)O 7a_100011214890_100011218427 [0,2,0,0,0,0|1,0,1]=4 7919 B11R0.30 CC(C)CCCCOC[C@@H](C)O 34a_100011214890_100009817552 [0,2,0,0,0,0|1,0,1]=4 7920 B11R0.30 CC(C)CCCCOC[C@@H](C)O 7a_100011214890_100009817552 [0,2,0,0,0,0|1,0,1]=4 7921 B11R0.30 CC(C)CCCCOC[N+](=O)[O-] 34a_100011214890_100000761209 [0,2,0,0,0,0|1,0,1]=4 7922 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [0,2,0,0,0,0|1,0,0]=3 7923 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [0,2,0,0,0,0|1,0,0]=3 7924 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [0,2,0,0,0,0|0,0,1]=3 7925 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [0,2,0,0,0,0|0,0,1]=3 7926 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011216152_100011218427 [0,2,0,0,0,0|1,0,1]=4 7927 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011218427_100011216152 [0,2,0,0,0,0|1,0,1]=4 7928 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100009817552_100011216152 [0,2,0,0,0,0|1,0,1]=4 7929 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100011216152_100009817552 [0,2,0,0,0,0|1,0,1]=4 7930 B11R0.30 CC(C)CCCCSC[N+](=O)[O-] 62a_100011216152_100000761209 [0,2,0,0,0,0|1,0,1]=4 7931 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [0,2,0,0,0,0|1,0,0]=3 7932 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [0,2,0,0,0,0|1,0,0]=3 7933 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000737386_100012276601 [0,2,0,0,0,0|1,0,1]=4 7934 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000755665_100011214892 [0,2,0,0,0,0|1,0,1]=4 7935 B11R0.30 CC(C)CCCNCCC(C)O 34a_200000737386_100012276601 [0,2,0,0,0,0|1,0,1]=4 7936 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [0,2,0,0,0,0|1,0,0]=3 7937 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [0,2,0,0,0,0|1,0,0]=3 7938 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [0,2,0,0,0,0|1,0,0]=3 7939 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [0,2,0,0,0,0|1,0,0]=3 7940 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [0,2,0,0,0,0|1,0,0]=3 7941 B11R0.30 CC(C)CCCOCCC(C)O 34a_100000210774_100012276601 [0,2,0,0,0,0|1,0,1]=4 7942 B11R0.30 CC(C)CCCOCCC(C)O 7a_100000210774_100012276601 [0,2,0,0,0,0|1,0,1]=4 7943 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [0,2,0,0,0,0|1,0,0]=3 7944 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [0,2,0,0,0,0|1,0,0]=3 7945 B11R0.30 CC(C)CCCSCCC(C)O 62a_100011214892_100012276601 [0,2,0,0,0,0|1,0,1]=4 7946 B11R0.30 CC(C)CCCSCCC(C)O 62a_100012276601_100011214892 [0,2,0,0,0,0|1,0,1]=4 7947 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [0,2,0,0,0,0|1,0,0]=3 7948 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [0,2,0,0,0,0|1,0,0]=3 7949 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [0,2,0,0,0,0|2,0,0]=4 7950 B11R0.30 CC(C)CCNCCNC(=O)N 269862a_100020590234_100000185833 [0,2,0,0,0,0|2,0,0]=4 7951 B11R0.30 CC(C)CCNCCNC(=O)N 34a_100020590234_100000210312 [0,2,0,0,0,0|2,0,0]=4 7952 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [0,2,0,0,0,0|1,0,0]=3 7953 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [0,2,0,0,0,0|1,0,0]=3 7954 B11R0.30 CC(C)CCOCCCC(C)O 34a_100000210254_200000718107 [0,2,0,0,0,0|1,0,1]=4 7955 B11R0.30 CC(C)CCOCCCC(C)O 7a_100000210254_200000718107 [0,2,0,0,0,0|1,0,1]=4 7956 B11R0.30 CC(C)CCOCCC[N+](=O)[O-] 34a_200000037920_100000210312 [0,2,0,0,0,0|1,0,1]=4 7957 B11R0.30 CC(C)CCOCCNC(=O)N 34a_100000181757_100000210312 [0,2,0,0,0,0|2,0,0]=4 7958 B11R0.30 CC(C)CCOCCNC(=O)N 7a_100000210254_200000034859 [0,2,0,0,0,0|2,0,0]=4 7959 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [0,2,0,0,0,0|2,0,0]=4 7960 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [0,2,0,0,0,0|2,0,0]=4 7961 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [0,2,0,0,0,0|2,0,0]=4 7962 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [0,2,0,0,0,0|1,0,0]=3 7963 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [0,2,0,0,0,0|1,0,0]=3 7964 B11R0.30 CC(C)CCSCCCC(C)O 62a_100000210312_200000718107 [0,2,0,0,0,0|1,0,1]=4 7965 B11R0.30 CC(C)CCSCCCC(C)O 62a_200000718107_100000210312 [0,2,0,0,0,0|1,0,1]=4 7966 B11R0.30 CC(C)CCSCCNC(=O)N 62a_100000210312_200000034859 [0,2,0,0,0,0|2,0,0]=4 7967 B11R0.30 CC(C)CCSCCNC(=O)N 62a_200000034859_100000210312 [0,2,0,0,0,0|2,0,0]=4 7968 B11R0.30 CC(C)CCSCCOC(=O)N 62a_100000210312_200011214921 [0,2,0,0,0,0|2,0,0]=4 7969 B11R0.30 CC(C)CCSCCOC(=O)N 62a_200011214921_100000210312 [0,2,0,0,0,0|2,0,0]=4 7970 B11R0.30 CC(C)CNCCCCB(O)O 2230a_100000210953_200009817182 [0,2,0,0,0,0|1,0,1]=4 7971 B11R0.30 CC(C)CNCCCCB(O)O 34a_100000210953_200009817182 [0,2,0,0,0,0|1,0,1]=4 7972 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [0,2,0,0,0,0|1,0,0]=3 7973 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [0,2,0,0,0,0|1,0,0]=3 7974 B11R0.30 CC(C)CNCCOCC(=O)N 2230a_100000210953_100000076697 [0,2,0,0,0,0|2,0,0]=4 7975 B11R0.30 CC(C)CNCCOCC(=O)N 34a_100000210953_100000076697 [0,2,0,0,0,0|2,0,0]=4 7976 B11R0.30 CC(C)CNCCOCC(=O)N 34a_100015185251_100000187820 [0,2,0,0,0,0|2,0,0]=4 7977 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [0,2,0,0,0,0|1,0,0]=3 7978 B11R0.30 CC(C)CNCCOCC(=O)[O-] 34a_100015185251_100020667443 [0,2,0,0,0,0|1,0,1]=4 7979 B11R0.30 CC(C)COCCCCB(O)O 34a_100000210257_200009817182 [0,2,0,0,0,0|1,0,1]=4 7980 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [0,2,0,0,0,0|1,0,0]=3 7981 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [0,2,0,0,0,0|1,0,0]=3 7982 B11R0.30 CC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000210624 [0,2,0,0,0,0|1,0,1]=4 7983 B11R0.30 CC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000210760 [0,2,0,0,0,0|1,0,1]=4 7984 B11R0.30 CC(C)COCCOCC(=O)N 34a_100000210257_100000076697 [0,2,0,0,0,0|2,0,0]=4 7985 B11R0.30 CC(C)COCCOCC(=O)N 34a_100000703358_100000187820 [0,2,0,0,0,0|2,0,0]=4 7986 B11R0.30 CC(C)COCCOCC(=O)N 7a_100000703358_100000187820 [0,2,0,0,0,0|2,0,0]=4 7987 B11R0.30 CC(C)COCCOCC(=O)[O-] 34a_100000703358_100020667443 [0,2,0,0,0,0|1,0,1]=4 7988 B11R0.30 CC(C)CSCCCCB(O)O 62a_100000210624_200009817182 [0,2,0,0,0,0|1,0,1]=4 7989 B11R0.30 CC(C)CSCCCCB(O)O 62a_200009817182_100000210760 [0,2,0,0,0,0|1,0,1]=4 7990 B11R0.30 CC(C)CSCCOCC(=O)N 34a_200000230437_100000187820 [0,2,0,0,0,0|2,0,0]=4 7991 B11R0.30 CC(C)CSCCOCC(=O)N 62a_100000076697_100000210760 [0,2,0,0,0,0|2,0,0]=4 7992 B11R0.30 CC(C)CSCCOCC(=O)N 62a_100000210624_100000076697 [0,2,0,0,0,0|2,0,0]=4 7993 B11R0.30 CC(C)CSCCOCC(=O)N 7a_200000230437_100000187820 [0,2,0,0,0,0|2,0,0]=4 7994 B11R0.30 CC(C)CSCCOCC(=O)[O-] 34a_200000230437_100020667443 [0,2,0,0,0,0|1,0,1]=4 7995 B11R0.30 CC(C)NCCCCCB(O)O 2230a_100138425928_200009817188 [0,2,0,0,0,0|1,0,1]=4 7996 B11R0.30 CC(C)NCCCCCB(O)O 34a_100138425928_200009817188 [0,2,0,0,0,0|1,0,1]=4 7997 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [0,2,0,0,0,0|1,0,0]=3 7998 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [0,2,0,0,0,0|1,0,0]=3 7999 B11R0.30 CC(C)NCCCOCC(=O)N 34a_100000182298_100000187820 [0,2,0,0,0,0|2,0,0]=4 8000 B11R0.30 CC(C)NCCCOCC(=O)[O-] 34a_100000182298_100020667443 [0,2,0,0,0,0|1,0,1]=4 8001 B11R0.30 CC(C)NCCOCCC(=O)N 34a_100000224655_100000731001 [0,2,0,0,0,0|2,0,0]=4 8002 B11R0.30 CC(C)OCCCCCB(O)O 34a_100000212225_200009817188 [0,2,0,0,0,0|1,0,1]=4 8003 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [0,2,0,0,0,0|1,0,0]=3 8004 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [0,2,0,0,0,0|1,0,0]=3 8005 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [0,2,0,0,0,0|1,0,0]=3 8006 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [0,2,0,0,0,0|0,0,1]=3 8007 B11R0.30 CC(C)OCCCNCC(=O)N 2230a_100000737246_100000747473 [0,2,0,0,0,0|2,0,0]=4 8008 B11R0.30 CC(C)OCCCNCC(=O)N 34a_100000737246_100000187820 [0,2,0,0,0,0|2,0,0]=4 8009 B11R0.30 CC(C)OCCCNCC(=O)[O-] 34a_100000737246_100020667443 [0,2,0,0,0,0|1,0,1]=4 8010 B11R0.30 CC(C)OCCNCCC(=O)N 2230a_100000701111_100000744528 [0,2,0,0,0,0|2,0,0]=4 8011 B11R0.30 CC(C)OCCNCCC(=O)N 34a_100000701111_100000731001 [0,2,0,0,0,0|2,0,0]=4 8012 B11R0.30 CC(C)OCCNOCC(=O)O 269956a_100000106656_100000211751 [0,2,0,0,0,0|2,0,0]=4 8013 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000211219_100000731001 [0,2,0,0,0,0|2,0,0]=4 8014 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000757172_100000211751 [0,2,0,0,0,0|2,0,0]=4 8015 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000211219_100000744528 [0,2,0,0,0,0|2,0,0]=4 8016 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000757172_100000211751 [0,2,0,0,0,0|2,0,0]=4 8017 B11R0.30 CC(C)OCCSCCC(=O)N 62a_100000211751_100000744528 [0,2,0,0,0,0|2,0,0]=4 8018 B11R0.30 CC(C)OCCSCCC(=O)N 62a_100000744528_100000211751 [0,2,0,0,0,0|2,0,0]=4 8019 B11R0.30 CC(C)OCNCCCC(=O)N 34a_100000739312_100000709892 [0,2,0,0,0,0|2,0,0]=4 8020 B11R0.30 CC(C)OCSCCCC(=O)N 62a_100000709892_100102525003 [0,2,0,0,0,0|2,0,0]=4 8021 B11R0.30 CC(C)OCSCCCC(=O)N 62a_100102525003_100000709892 [0,2,0,0,0,0|2,0,0]=4 8022 B11R0.30 CC(C)SCCCCCB(O)O 62a_100000210206_200009817188 [0,2,0,0,0,0|1,0,1]=4 8023 B11R0.30 CC(C)SCCCCCB(O)O 62a_200009817188_100000210206 [0,2,0,0,0,0|1,0,1]=4 8024 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [0,2,0,0,0,0|1,0,0]=3 8025 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [0,2,0,0,0,0|1,0,0]=3 8026 B11R0.30 CC(C)SCCNCCC(=O)N 2230a_100000731138_100000744528 [0,2,0,0,0,0|2,0,0]=4 8027 B11R0.30 CC(C)SCCNCCC(=O)N 34a_100000731138_100000731001 [0,2,0,0,0,0|2,0,0]=4 8028 B11R0.30 CC(C)SCCNOCC(=O)O 269956a_100000106656_100000730970 [0,2,0,0,0,0|2,0,0]=4 8029 B11R0.30 CC(C)SCCOCCC(=O)N 34a_100000757172_100000730970 [0,2,0,0,0,0|2,0,0]=4 8030 B11R0.30 CC(C)SCCOCCC(=O)N 34a_200011212901_100000731001 [0,2,0,0,0,0|2,0,0]=4 8031 B11R0.30 CC(C)SCCOCCC(=O)N 7a_100000757172_100000730970 [0,2,0,0,0,0|2,0,0]=4 8032 B11R0.30 CC(C)SCCOCCC(=O)N 7a_200011212901_100000744528 [0,2,0,0,0,0|2,0,0]=4 8033 B11R0.30 CC(C)SCCSCCC(=O)N 62a_100000730970_100000744528 [0,2,0,0,0,0|2,0,0]=4 8034 B11R0.30 CC(C)SCCSCCC(=O)N 62a_100000744528_100000730970 [0,2,0,0,0,0|2,0,0]=4 8035 B11R0.30 CC(F)COCCCCB(O)O 34a_100015925927_200009817182 [0,2,0,0,0,0|1,0,1]=4 8036 B11R0.30 CC(F)COCCOCC(=O)N 34a_100015925927_100000076697 [0,2,0,0,0,0|2,0,0]=4 8037 B11R0.30 CC(O)CCCNCCC(C)O 2230a_200000755665_200000718107 [0,2,0,0,0,0|1,0,1]=4 8038 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [0,2,0,0,0,0|1,0,0]=3 8039 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,2,0,0,0,0|1,0,0]=3 8040 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,2,0,0,0,0|1,0,0]=3 8041 B11R0.30 CC(O)CCCOCCC(C)Br 34a_100009893172_200000718107 [0,2,0,0,0,0|1,0,1]=4 8042 B11R0.30 CC(O)CCCOCC[C@@H](C)N 34a_100000706166_200000718107 [0,2,0,0,0,0|1,0,1]=4 8043 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,2,0,0,0,0|1,0,0]=3 8044 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,2,0,0,0,0|1,0,0]=3 8045 B11R0.30 CC(O)CCCSCCC(C)O 62a_100012276601_200000718107 [0,2,0,0,0,0|1,0,1]=4 8046 B11R0.30 CC(O)CCCSCCC(C)O 62a_200000718107_100012276601 [0,2,0,0,0,0|1,0,1]=4 8047 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [0,2,0,0,0,0|1,0,0]=3 8048 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [0,2,0,0,0,0|2,0,0]=4 8049 B11R0.30 CC(O)CCNCCNC(=O)N 2230a_200000755665_200000034859 [0,2,0,0,0,0|2,0,0]=4 8050 B11R0.30 CC(O)CCNCCNC(=O)N 34a_100020590234_100012276601 [0,2,0,0,0,0|2,0,0]=4 8051 B11R0.30 CC(O)CCOCCC[N+](=O)[O-] 34a_200000037920_100012276601 [0,2,0,0,0,0|1,0,1]=4 8052 B11R0.30 CC(O)CCOCCNC(=O)N 34a_100000181757_100012276601 [0,2,0,0,0,0|2,0,0]=4 8053 B11R0.30 CC(O)CCOCCOC(=O)N 7a_100000766696_100012276601 [0,2,0,0,0,0|2,0,0]=4 8054 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,2,0,0,0,0|1,0,0]=3 8055 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,2,0,0,0,0|1,0,0]=3 8056 B11R0.30 CC(O)CCSCCNC(=O)N 62a_100012276601_200000034859 [0,2,0,0,0,0|2,0,0]=4 8057 B11R0.30 CC(O)CCSCCNC(=O)N 62a_200000034859_100012276601 [0,2,0,0,0,0|2,0,0]=4 8058 B11R0.30 CC(O)CCSCCOC(=O)N 62a_100012276601_200011214921 [0,2,0,0,0,0|2,0,0]=4 8059 B11R0.30 CC(O)CCSCCOC(=O)N 62a_200011214921_100012276601 [0,2,0,0,0,0|2,0,0]=4 8060 B11R0.30 CC(O)CNCCCCB(O)O 2230a_100000210904_200009817182 [0,2,0,0,0,0|1,0,1]=4 8061 B11R0.30 CC(O)CNCCCCB(O)O 34a_100000210904_200009817182 [0,2,0,0,0,0|1,0,1]=4 8062 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,2,0,0,0,0|1,0,0]=3 8063 B11R0.30 CC(O)CNCCOCC(=O)N 2230a_100000210904_100000076697 [0,2,0,0,0,0|2,0,0]=4 8064 B11R0.30 CC(O)CNCCOCC(=O)N 34a_100000210904_100000076697 [0,2,0,0,0,0|2,0,0]=4 8065 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [0,2,0,0,0,0|1,0,0]=3 8066 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,2,0,0,0,0|1,0,0]=3 8067 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,2,0,0,0,0|1,0,0]=3 8068 B11R0.30 CC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218427 [0,2,0,0,0,0|1,0,1]=4 8069 B11R0.30 CC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218427 [0,2,0,0,0,0|1,0,1]=4 8070 B11R0.30 CC(O)CSCCCCB(O)O 62a_100011218427_200009817182 [0,2,0,0,0,0|1,0,1]=4 8071 B11R0.30 CC(O)CSCCCCB(O)O 62a_200009817182_100011218427 [0,2,0,0,0,0|1,0,1]=4 8072 B11R0.30 CC(O)CSCCOCC(=O)N 62a_100000076697_100011218427 [0,2,0,0,0,0|2,0,0]=4 8073 B11R0.30 CC(O)CSCCOCC(=O)N 62a_100011218427_100000076697 [0,2,0,0,0,0|2,0,0]=4 8074 B11R0.30 CN(C)CCCCCCB(O)O 2230a_100102631434_100009817187 [0,2,0,0,0,0|1,0,1]=4 8075 B11R0.30 CN(C)CCCCCCB(O)O 269982a_100102631434_100009817187 [0,2,0,0,0,0|1,0,1]=4 8076 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [0,2,0,0,0,0|1,0,0]=3 8077 B11R0.30 CN(C)CCCCSCC(=O)N 62a_100000747473_100000690147 [0,2,0,0,0,0|2,0,0]=4 8078 B11R0.30 CN(C)CCCCSCC(=O)[O-] 62a_100020667443_100000690147 [0,2,0,0,0,0|1,0,1]=4 8079 B11R0.30 CN(C)CCCNOCC(=O)O 269956a_100000106656_100000757444 [0,2,0,0,0,0|2,0,0]=4 8080 B11R0.30 CN(C)CCCOCCC(=O)N 7a_100000757172_100000757444 [0,2,0,0,0,0|2,0,0]=4 8081 B11R0.30 CN(C)CCCSCCC(=O)N 62a_100000744528_100000757444 [0,2,0,0,0,0|2,0,0]=4 8082 B11R0.30 CN(C)CCSCCCC(=O)N 62a_100102525003_100000755713 [0,2,0,0,0,0|2,0,0]=4 8083 B11R0.30 CS(=O)CCCNCCC(=O)N 2230a_200000753449_100000744528 [0,2,0,0,0,0|2,0,0]=4 8084 B11R0.30 C[C@@H](Cl)COCCCCB(O)O 34a_100016084084_200009817182 [0,2,0,0,0,0|1,0,1]=4 8085 B11R0.30 C[C@@H](Cl)COCCOCC(=O)N 34a_100016084084_100000076697 [0,2,0,0,0,0|2,0,0]=4 8086 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [0,2,0,0,0,0|1,0,0]=3 8087 B11R0.30 C[C@@H](N)CCOCCOC(=O)N 34a_100000706166_200011214921 [0,2,0,0,0,0|2,0,0]=4 8088 B11R0.30 C[C@@H](N)COCCCCB(O)O 34a_100000737577_200009817182 [0,2,0,0,0,0|1,0,1]=4 8089 B11R0.30 C[C@@H](N)COCCOCC(=O)N 34a_100000737577_100000076697 [0,2,0,0,0,0|2,0,0]=4 8090 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,2,0,0,0,0|1,0,0]=3 8091 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [0,2,0,0,0,0|1,0,0]=3 8092 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,2,0,0,0,0|1,0,0]=3 8093 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,2,0,0,0,0|1,0,0]=3 8094 B11R0.30 C[C@@H](O)COCCCC[N+](=O)[O-] 34a_200015379883_100009817552 [0,2,0,0,0,0|1,0,1]=4 8095 B11R0.30 C[C@@H](O)COCCCC[N+](=O)[O-] 7a_200015379883_100009817552 [0,2,0,0,0,0|1,0,1]=4 8096 B11R0.30 C[C@@H](O)CSCCCCB(O)O 62a_100009817552_200009817182 [0,2,0,0,0,0|1,0,1]=4 8097 B11R0.30 C[C@@H](O)CSCCCCB(O)O 62a_200009817182_100009817552 [0,2,0,0,0,0|1,0,1]=4 8098 B11R0.30 C[C@@H](O)CSCCOCC(=O)N 62a_100000076697_100009817552 [0,2,0,0,0,0|2,0,0]=4 8099 B11R0.30 C[C@@H](O)CSCCOCC(=O)N 62a_100009817552_100000076697 [0,2,0,0,0,0|2,0,0]=4 8100 B11R0.30 NC(=O)CCCCNCC(F)F 34a_100000696515_100011934356 [0,2,0,0,0,0|2,0,0]=4 8101 B11R0.30 NC(=O)CCCCOCC(F)F 34a_100012022536_100011934356 [0,2,0,0,0,0|2,0,0]=4 8102 B11R0.30 NC(=O)CCCCOCC(F)F 7a_100012022536_100011934356 [0,2,0,0,0,0|2,0,0]=4 8103 B11R0.30 NC(=O)CCCOCCC(F)F 34a_100103093639_100102525003 [0,2,0,0,0,0|2,0,0]=4 8104 B11R0.30 O=C(O)CNCCCCB(O)O 269956a_100016091260_200009817182 [0,2,0,0,0,0|2,0,0]=4 8105 B11R0.30 O=C(O)CNCCOCC(F)F 269956a_100016091260_200012177212 [0,2,0,0,0,0|2,0,0]=4 8106 B11R0.30 O=C(O)COCCNCC(F)F 269956a_100000700818_100011934356 [0,2,0,0,0,0|2,0,0]=4 8107 B11R0.40 C#CC(=O)CC#CCCCCC 1458a_100000211873_100009816472 [0,2,0,0,0,0|1,0,1]=4 8108 B11R0.40 C#CC(=O)CCCCCCC#N 1458a_100000211873_100009813337 [0,2,0,0,0,0|1,0,1]=4 8109 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,2,0,0,0,0|1,0,1]=4 8110 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,2,0,0,0,0|1,0,0]=3 8111 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,2,0,0,0,0|1,0,0]=3 8112 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,2,0,0,0,0|1,0,0]=3 8113 B11R0.40 C#CC(=O)CCCOCCOC 1458a_100000211873_100011216529 [0,2,0,0,0,0|2,0,0]=4 8114 B11R0.40 C#CC(=O)CCOCCOCC 1458a_100000211873_100011211534 [0,2,0,0,0,0|2,0,0]=4 8115 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,2,0,0,0,0|1,0,1]=4 8116 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,2,0,0,0,0|1,0,1]=4 8117 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,2,0,0,0,0|1,0,1]=4 8118 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,2,0,0,0,0|1,0,1]=4 8119 B11R0.40 C#CCCCCCCC(=O)C#C 1458a_100000211873_100012276617 [0,2,0,0,0,0|1,0,1]=4 8120 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,2,0,0,0,0|1,0,1]=4 8121 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,2,0,0,0,0|1,0,1]=4 8122 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,2,0,0,0,0|1,0,1]=4 8123 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,2,0,0,0,0|1,0,1]=4 8124 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,2,0,0,0,0|0,0,1]=3 8125 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,2,0,0,0,0|1,0,1]=4 8126 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,2,0,0,0,0|1,0,1]=4 8127 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,2,0,0,0,0|1,0,1]=4 8128 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,2,0,0,0,0|1,0,1]=4 8129 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,2,0,0,0,0|0,0,2]=4 8130 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,2,0,0,0,0|0,0,2]=4 8131 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,2,0,0,0,0|0,0,2]=4 8132 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,2,0,0,0,0|0,0,2]=4 8133 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,2,0,0,0,0|0,0,2]=4 8134 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,2,0,0,0,0|0,0,2]=4 8135 B11R0.40 C#CCCCNCCC(=O)OC 34a_100000718082_100000742370 [0,2,0,0,0,0|0,0,2]=4 8136 B11R0.40 C#CCCCOCCC(=O)OC 34a_100000215630_100000742370 [0,2,0,0,0,0|0,0,2]=4 8137 B11R0.40 C#CCCCOCCC(=O)OC 7a_100000215630_100000204255 [0,2,0,0,0,0|0,0,2]=4 8138 B11R0.40 C#CCCCSCCC(=O)OC 62a_100000204255_100011215417 [0,2,0,0,0,0|0,0,2]=4 8139 B11R0.40 C#CCCCSCCC(=O)OC 62a_100011215417_100000204255 [0,2,0,0,0,0|0,0,2]=4 8140 B11R0.40 C#CCCNCCCC(=O)OC 34a_100000755551_100000742333 [0,2,0,0,0,0|0,0,2]=4 8141 B11R0.40 C#CCCOCCCC(=O)OC 34a_100011215631_100000742333 [0,2,0,0,0,0|0,0,2]=4 8142 B11R0.40 C#CCCSCCCC(=O)OC 62a_100000688953_100011218270 [0,2,0,0,0,0|0,0,2]=4 8143 B11R0.40 C#CCCSCCCC(=O)OC 62a_100011218270_100000688953 [0,2,0,0,0,0|0,0,2]=4 8144 B11R0.40 C#CCNCCCCC(=O)OC 34a_100000212058_100000204269 [0,2,0,0,0,0|0,0,2]=4 8145 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000059025_100000184674 [0,2,0,0,0,0|0,0,2]=4 8146 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000210247_100000204269 [0,2,0,0,0,0|0,0,2]=4 8147 B11R0.40 C#CCOCCCCC(=O)OC 7a_100000059025_100000038162 [0,2,0,0,0,0|0,0,2]=4 8148 B11R0.40 C#CCSCCCCC(=O)OC 62a_100000038162_100000204269 [0,2,0,0,0,0|0,0,2]=4 8149 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [0,2,0,0,0,0|0,0,2]=4 8150 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [0,2,0,0,0,0|0,0,2]=4 8151 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [0,2,0,0,0,0|0,0,2]=4 8152 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [0,2,0,0,0,0|0,0,2]=4 8153 B11R0.40 C=C(C#N)CNCCCCCC 2230a_100000210581_100000694840 [0,2,0,0,0,0|2,0,0]=4 8154 B11R0.40 C=C(C#N)COCCCCCC 34a_100000210259_100000694840 [0,2,0,0,0,0|2,0,0]=4 8155 B11R0.40 C=C(C#N)CSCCCCCC 62a_100000210314_100000694840 [0,2,0,0,0,0|2,0,0]=4 8156 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,2,0,0,0,0|1,0,1]=4 8157 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,2,0,0,0,0|1,0,1]=4 8158 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,2,0,0,0,0|1,0,0]=3 8159 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,2,0,0,0,0|1,0,0]=3 8160 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,2,0,0,0,0|1,0,0]=3 8161 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,2,0,0,0,0|2,0,0]=4 8162 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,2,0,0,0,0|2,0,0]=4 8163 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,2,0,0,0,0|1,0,0]=3 8164 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,2,0,0,0,0|1,0,0]=3 8165 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,2,0,0,0,0|2,0,0]=4 8166 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,2,0,0,0,0|2,0,0]=4 8167 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,2,0,0,0,0|2,0,0]=4 8168 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,2,0,0,0,0|2,0,0]=4 8169 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,2,0,0,0,0|2,0,0]=4 8170 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,2,0,0,0,0|2,0,0]=4 8171 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,2,0,0,0,0|2,0,0]=4 8172 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,2,0,0,0,0|2,0,0]=4 8173 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,2,0,0,0,0|2,0,0]=4 8174 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,2,0,0,0,0|2,0,0]=4 8175 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,2,0,0,0,0|2,0,0]=4 8176 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,2,0,0,0,0|2,0,0]=4 8177 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,2,0,0,0,0|2,0,0]=4 8178 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,2,0,0,0,0|2,0,0]=4 8179 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,2,0,0,0,0|2,0,0]=4 8180 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,2,0,0,0,0|2,0,0]=4 8181 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,2,0,0,0,0|2,0,0]=4 8182 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,2,0,0,0,0|2,0,0]=4 8183 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,2,0,0,0,0|1,0,1]=4 8184 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|1,0,1]=4 8185 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|1,0,1]=4 8186 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,2,0,0,0,0|1,0,1]=4 8187 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,2,0,0,0,0|1,0,1]=4 8188 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,2,0,0,0,0|1,0,1]=4 8189 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,2,0,0,0,0|1,0,1]=4 8190 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,2,0,0,0,0|1,0,1]=4 8191 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,2,0,0,0,0|1,0,1]=4 8192 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,2,0,0,0,0|0,0,1]=3 8193 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,2,0,0,0,0|1,0,1]=4 8194 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,2,0,0,0,0|1,0,1]=4 8195 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,2,0,0,0,0|1,0,1]=4 8196 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,2,0,0,0,0|1,0,1]=4 8197 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,2,0,0,0,0|0,0,2]=4 8198 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,2,0,0,0,0|0,0,2]=4 8199 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,2,0,0,0,0|0,0,2]=4 8200 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,2,0,0,0,0|0,0,2]=4 8201 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,2,0,0,0,0|0,0,2]=4 8202 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,2,0,0,0,0|0,0,2]=4 8203 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [0,2,0,0,0,0|0,0,2]=4 8204 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [0,2,0,0,0,0|0,0,2]=4 8205 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [0,2,0,0,0,0|0,0,2]=4 8206 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [0,2,0,0,0,0|0,0,2]=4 8207 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [0,2,0,0,0,0|0,0,2]=4 8208 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [0,2,0,0,0,0|0,0,2]=4 8209 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [0,2,0,0,0,0|0,0,2]=4 8210 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [0,2,0,0,0,0|0,0,2]=4 8211 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [0,2,0,0,0,0|0,0,2]=4 8212 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [0,2,0,0,0,0|0,0,2]=4 8213 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [0,2,0,0,0,0|0,0,2]=4 8214 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [0,2,0,0,0,0|0,0,2]=4 8215 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [0,2,0,0,0,0|0,0,2]=4 8216 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [0,2,0,0,0,0|0,0,2]=4 8217 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [0,2,0,0,0,0|0,0,2]=4 8218 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [0,2,0,0,0,0|0,0,2]=4 8219 B11R0.40 CC#CCCOCCC(=O)OC 34a_100000750427_100000742370 [0,2,0,0,0,0|0,0,2]=4 8220 B11R0.40 CC#CCNCCCC(=O)OC 2230a_100000685387_100011218270 [0,2,0,0,0,0|0,0,2]=4 8221 B11R0.40 CC#CCNCCCC(=O)OC 34a_100000685387_100000742333 [0,2,0,0,0,0|0,0,2]=4 8222 B11R0.40 CC#CCOCCCC(=O)OC 34a_100000761923_100000742333 [0,2,0,0,0,0|0,0,2]=4 8223 B11R0.40 CC#CCSCCCC(=O)OC 62a_100000748600_100011218270 [0,2,0,0,0,0|0,0,2]=4 8224 B11R0.40 CC#CCSCCCC(=O)OC 62a_100011218270_100000748600 [0,2,0,0,0,0|0,0,2]=4 8225 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,2,0,0,0,0|0,0,2]=4 8226 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,2,0,0,0,0|0,0,2]=4 8227 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,2,0,0,0,0|0,0,2]=4 8228 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,2,0,0,0,0|0,0,2]=4 8229 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,2,0,0,0,0|0,0,2]=4 8230 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,2,0,0,0,0|0,0,2]=4 8231 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,2,0,0,0,0|0,0,2]=4 8232 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,2,0,0,0,0|0,0,2]=4 8233 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [0,2,0,0,0,0|0,0,2]=4 8234 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [0,2,0,0,0,0|0,0,2]=4 8235 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,2,0,0,0,0|0,0,2]=4 8236 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,2,0,0,0,0|0,0,2]=4 8237 B11R0.40 CCC#CCOCCC(=O)OC 34a_100000032950_100000742370 [0,2,0,0,0,0|0,0,2]=4 8238 B11R0.40 CCC#CCSCCC(=O)OC 62a_100000204255_100009813939 [0,2,0,0,0,0|0,0,2]=4 8239 B11R0.40 CCC#CCSCCC(=O)OC 62a_100009813939_100000204255 [0,2,0,0,0,0|0,0,2]=4 8240 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,2,0,0,0,0|1,0,1]=4 8241 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|1,0,0]=3 8242 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|1,0,0]=3 8243 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|1,0,0]=3 8244 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,2,0,0,0,0|2,0,0]=4 8245 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,2,0,0,0,0|2,0,0]=4 8246 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,2,0,0,0,0|2,0,0]=4 8247 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,2,0,0,0,0|2,0,0]=4 8248 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,2,0,0,0,0|2,0,0]=4 8249 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,2,0,0,0,0|2,0,0]=4 8250 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,2,0,0,0,0|2,0,0]=4 8251 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,2,0,0,0,0|2,0,0]=4 8252 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,2,0,0,0,0|2,0,0]=4 8253 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,2,0,0,0,0|2,0,0]=4 8254 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,2,0,0,0,0|2,0,0]=4 8255 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,2,0,0,0,0|2,0,0]=4 8256 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,2,0,0,0,0|2,0,0]=4 8257 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,2,0,0,0,0|2,0,0]=4 8258 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,2,0,0,0,0|2,0,0]=4 8259 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,2,0,0,0,0|2,0,0]=4 8260 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,2,0,0,0,0|2,0,0]=4 8261 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,2,0,0,0,0|2,0,0]=4 8262 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,2,0,0,0,0|2,0,0]=4 8263 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,2,0,0,0,0|2,0,0]=4 8264 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,2,0,0,0,0|0,0,2]=4 8265 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,2,0,0,0,0|0,0,2]=4 8266 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,2,0,0,0,0|0,0,2]=4 8267 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,2,0,0,0,0|0,0,2]=4 8268 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,2,0,0,0,0|1,0,1]=4 8269 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,2,0,0,0,0|1,0,1]=4 8270 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,2,0,0,0,0|1,0,1]=4 8271 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,2,0,0,0,0|1,0,1]=4 8272 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,2,0,0,0,0|1,0,1]=4 8273 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,2,0,0,0,0|1,0,1]=4 8274 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,2,0,0,0,0|0,0,1]=3 8275 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,2,0,0,0,0|1,0,1]=4 8276 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,2,0,0,0,0|1,0,1]=4 8277 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,2,0,0,0,0|1,0,1]=4 8278 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,2,0,0,0,0|1,0,1]=4 8279 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,2,0,0,0,0|1,0,1]=4 8280 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|1,0,0]=3 8281 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|1,0,0]=3 8282 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|1,0,0]=3 8283 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,0]=2 8284 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|1,0,0]=3 8285 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 8286 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 8287 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 8288 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,2,0,0,0,0|1,0,1]=4 8289 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,2,0,0,0,0|1,0,1]=4 8290 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,2,0,0,0,0|1,0,1]=4 8291 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,2,0,0,0,0|1,0,1]=4 8292 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|1,0,0]=3 8293 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|1,0,0]=3 8294 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|1,0,0]=3 8295 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|1,0,0]=3 8296 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|0,0,0]=2 8297 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|0,0,0]=2 8298 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,2,0,0,0,0|1,0,0]=3 8299 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,2,0,0,0,0|1,0,0]=3 8300 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,2,0,0,0,0|1,0,0]=3 8301 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,2,0,0,0,0|1,0,0]=3 8302 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,2,0,0,0,0|1,0,0]=3 8303 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,2,0,0,0,0|1,0,0]=3 8304 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|1,0,1]=4 8305 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|1,0,1]=4 8306 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|1,0,1]=4 8307 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|1,0,1]=4 8308 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,2,0,0,0,0|1,0,1]=4 8309 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,2,0,0,0,0|1,0,1]=4 8310 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,2,0,0,0,0|1,0,1]=4 8311 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,2,0,0,0,0|1,0,1]=4 8312 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,2,0,0,0,0|1,0,1]=4 8313 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,2,0,0,0,0|1,0,0]=3 8314 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,2,0,0,0,0|1,0,0]=3 8315 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,2,0,0,0,0|0,0,0]=2 8316 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,2,0,0,0,0|1,0,1]=4 8317 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,2,0,0,0,0|1,0,1]=4 8318 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,2,0,0,0,0|1,0,1]=4 8319 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,2,0,0,0,0|0,0,2]=4 8320 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,2,0,0,0,0|1,0,1]=4 8321 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,2,0,0,0,0|1,0,1]=4 8322 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,2,0,0,0,0|1,0,1]=4 8323 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,2,0,0,0,0|1,0,1]=4 8324 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,2,0,0,0,0|0,0,2]=4 8325 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,2,0,0,0,0|0,0,2]=4 8326 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|1,0,0]=3 8327 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|1,0,0]=3 8328 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|1,0,0]=3 8329 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|1,0,0]=3 8330 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|1,0,0]=3 8331 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|0,0,0]=2 8332 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|0,0,0]=2 8333 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,2,0,0,0,0|1,0,1]=4 8334 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|1,0,1]=4 8335 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|1,0,1]=4 8336 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|0,0,2]=4 8337 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|0,0,2]=4 8338 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|1,0,1]=4 8339 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|1,0,1]=4 8340 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,2,0,0,0,0|1,0,1]=4 8341 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,2,0,0,0,0|1,0,1]=4 8342 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|0,0,2]=4 8343 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|0,0,2]=4 8344 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|1,0,0]=3 8345 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|1,0,0]=3 8346 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,2,0,0,0,0|1,0,0]=3 8347 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,2,0,0,0,0|1,0,0]=3 8348 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,2,0,0,0,0|0,0,0]=2 8349 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,2,0,0,0,0|0,0,0]=2 8350 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,2,0,0,0,0|1,0,1]=4 8351 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,2,0,0,0,0|1,0,1]=4 8352 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,2,0,0,0,0|0,0,2]=4 8353 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,2,0,0,0,0|0,0,2]=4 8354 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,2,0,0,0,0|1,0,1]=4 8355 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,2,0,0,0,0|1,0,1]=4 8356 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,2,0,0,0,0|1,0,1]=4 8357 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,2,0,0,0,0|1,0,1]=4 8358 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,2,0,0,0,0|0,0,2]=4 8359 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,2,0,0,0,0|0,0,2]=4 8360 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,2,0,0,0,0|1,0,0]=3 8361 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,2,0,0,0,0|1,0,0]=3 8362 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,2,0,0,0,0|1,0,0]=3 8363 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|0,0,0]=2 8364 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,2,0,0,0,0|1,0,1]=4 8365 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,2,0,0,0,0|1,0,1]=4 8366 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,2,0,0,0,0|1,0,1]=4 8367 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,2,0,0,0,0|1,0,0]=3 8368 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,2,0,0,0,0|1,0,0]=3 8369 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,2,0,0,0,0|1,0,0]=3 8370 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,2,0,0,0,0|1,0,0]=3 8371 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|0,0,0]=2 8372 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|0,0,0]=2 8373 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,2,0,0,0,0|1,0,1]=4 8374 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,2,0,0,0,0|1,0,0]=3 8375 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,2,0,0,0,0|1,0,0]=3 8376 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|0,0,0]=2 8377 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|0,0,0]=2 8378 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,2,0,0,0,0|1,0,0]=3 8379 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,2,0,0,0,0|0,0,2]=4 8380 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,2,0,0,0,0|0,0,2]=4 8381 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,2,0,0,0,0|1,0,0]=3 8382 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,2,0,0,0,0|1,0,0]=3 8383 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,2,0,0,0,0|1,0,0]=3 8384 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,2,0,0,0,0|1,0,0]=3 8385 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|0,0,0]=2 8386 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|0,0,0]=2 8387 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,2,0,0,0,0|2,0,0]=4 8388 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,2,0,0,0,0|2,0,0]=4 8389 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,2,0,0,0,0|2,0,0]=4 8390 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,2,0,0,0,0|1,0,1]=4 8391 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,2,0,0,0,0|0,0,2]=4 8392 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,2,0,0,0,0|0,0,2]=4 8393 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,2,0,0,0,0|1,0,0]=3 8394 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,2,0,0,0,0|1,0,0]=3 8395 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,2,0,0,0,0|1,0,0]=3 8396 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|0,0,0]=2 8397 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|0,0,0]=2 8398 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,2,0,0,0,0|2,0,0]=4 8399 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,2,0,0,0,0|2,0,0]=4 8400 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,2,0,0,0,0|1,0,0]=3 8401 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,2,0,0,0,0|2,0,0]=4 8402 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,2,0,0,0,0|2,0,0]=4 8403 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,2,0,0,0,0|2,0,0]=4 8404 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,2,0,0,0,0|1,0,0]=3 8405 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,2,0,0,0,0|2,0,0]=4 8406 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,2,0,0,0,0|2,0,0]=4 8407 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,2,0,0,0,0|2,0,0]=4 8408 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,2,0,0,0,0|2,0,0]=4 8409 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,2,0,0,0,0|2,0,0]=4 8410 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,2,0,0,0,0|2,0,0]=4 8411 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,2,0,0,0,0|2,0,0]=4 8412 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,2,0,0,0,0|1,0,0]=3 8413 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,2,0,0,0,0|1,0,0]=3 8414 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,2,0,0,0,0|0,0,2]=4 8415 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,2,0,0,0,0|0,0,2]=4 8416 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,2,0,0,0,0|1,0,0]=3 8417 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,2,0,0,0,0|1,0,0]=3 8418 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|0,0,0]=2 8419 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|0,0,0]=2 8420 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 8421 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 8422 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 8423 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,2,0,0,0,0|2,0,0]=4 8424 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,2,0,0,0,0|1,0,0]=3 8425 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,2,0,0,0,0|1,0,0]=3 8426 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,2,0,0,0,0|2,0,0]=4 8427 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,2,0,0,0,0|2,0,0]=4 8428 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,2,0,0,0,0|2,0,0]=4 8429 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,2,0,0,0,0|2,0,0]=4 8430 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,2,0,0,0,0|2,0,0]=4 8431 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,2,0,0,0,0|2,0,0]=4 8432 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,2,0,0,0,0|2,0,0]=4 8433 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,2,0,0,0,0|2,0,0]=4 8434 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [0,2,0,0,0,0|1,0,1]=4 8435 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|0,0,0]=2 8436 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|0,0,0]=2 8437 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|0,0,0]=2 8438 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 8439 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 8440 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,2,0,0,0,0|2,0,0]=4 8441 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,2,0,0,0,0|1,0,0]=3 8442 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,2,0,0,0,0|1,0,0]=3 8443 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,2,0,0,0,0|2,0,0]=4 8444 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,2,0,0,0,0|2,0,0]=4 8445 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,2,0,0,0,0|2,0,0]=4 8446 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,2,0,0,0,0|2,0,0]=4 8447 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,2,0,0,0,0|2,0,0]=4 8448 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,2,0,0,0,0|2,0,0]=4 8449 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,2,0,0,0,0|2,0,0]=4 8450 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,2,0,0,0,0|2,0,0]=4 8451 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,2,0,0,0,0|2,0,0]=4 8452 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,2,0,0,0,0|1,0,0]=3 8453 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,2,0,0,0,0|1,0,0]=3 8454 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,2,0,0,0,0|2,0,0]=4 8455 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,2,0,0,0,0|2,0,0]=4 8456 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,2,0,0,0,0|2,0,0]=4 8457 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,2,0,0,0,0|2,0,0]=4 8458 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,2,0,0,0,0|2,0,0]=4 8459 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,2,0,0,0,0|1,0,0]=3 8460 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,2,0,0,0,0|1,0,0]=3 8461 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,2,0,0,0,0|1,0,0]=3 8462 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,2,0,0,0,0|2,0,0]=4 8463 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,2,0,0,0,0|2,0,0]=4 8464 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,2,0,0,0,0|2,0,0]=4 8465 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,2,0,0,0,0|2,0,0]=4 8466 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,2,0,0,0,0|1,0,0]=3 8467 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,2,0,0,0,0|1,0,0]=3 8468 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|0,0,0]=2 8469 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|0,0,0]=2 8470 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,2,0,0,0,0|2,0,0]=4 8471 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,2,0,0,0,0|1,0,0]=3 8472 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,2,0,0,0,0|2,0,0]=4 8473 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,2,0,0,0,0|2,0,0]=4 8474 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,2,0,0,0,0|2,0,0]=4 8475 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,2,0,0,0,0|1,0,0]=3 8476 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,2,0,0,0,0|1,0,0]=3 8477 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,2,0,0,0,0|1,0,0]=3 8478 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,2,0,0,0,0|1,0,0]=3 8479 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|0,0,0]=2 8480 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [0,2,0,0,0,0|1,0,1]=4 8481 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|0,0,0]=2 8482 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|0,0,0]=2 8483 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|0,0,0]=2 8484 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,2,0,0,0,0|2,0,0]=4 8485 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,2,0,0,0,0|2,0,0]=4 8486 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,2,0,0,0,0|2,0,0]=4 8487 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,2,0,0,0,0|1,0,0]=3 8488 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,2,0,0,0,0|1,0,0]=3 8489 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,2,0,0,0,0|2,0,0]=4 8490 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,2,0,0,0,0|2,0,0]=4 8491 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,2,0,0,0,0|2,0,0]=4 8492 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,2,0,0,0,0|2,0,0]=4 8493 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,2,0,0,0,0|2,0,0]=4 8494 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,2,0,0,0,0|1,0,0]=3 8495 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,2,0,0,0,0|1,0,0]=3 8496 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,2,0,0,0,0|2,0,0]=4 8497 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,2,0,0,0,0|2,0,0]=4 8498 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,2,0,0,0,0|2,0,0]=4 8499 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,2,0,0,0,0|2,0,0]=4 8500 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,2,0,0,0,0|1,0,0]=3 8501 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,2,0,0,0,0|1,0,0]=3 8502 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,2,0,0,0,0|2,0,0]=4 8503 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,2,0,0,0,0|2,0,0]=4 8504 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,2,0,0,0,0|2,0,0]=4 8505 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,2,0,0,0,0|2,0,0]=4 8506 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,2,0,0,0,0|1,0,0]=3 8507 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,2,0,0,0,0|1,0,0]=3 8508 B11R0.40 CCOCCOCCC(=NO)N 34a_100000749954_100000210147 [0,2,0,0,0,0|2,0,0]=4 8509 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,2,0,0,0,0|2,0,0]=4 8510 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,2,0,0,0,0|1,0,0]=3 8511 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,2,0,0,0,0|2,0,0]=4 8512 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,2,0,0,0,0|2,0,0]=4 8513 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,2,0,0,0,0|2,0,0]=4 8514 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,2,0,0,0,0|1,0,0]=3 8515 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,2,0,0,0,0|1,0,0]=3 8516 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,2,0,0,0,0|2,0,0]=4 8517 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,2,0,0,0,0|2,0,0]=4 8518 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,2,0,0,0,0|1,0,0]=3 8519 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,2,0,0,0,0|1,0,0]=3 8520 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,2,0,0,0,0|2,0,0]=4 8521 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,2,0,0,0,0|2,0,0]=4 8522 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,2,0,0,0,0|2,0,0]=4 8523 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,2,0,0,0,0|1,0,0]=3 8524 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,2,0,0,0,0|1,0,0]=3 8525 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|0,0,0]=2 8526 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|0,0,0]=2 8527 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,2,0,0,0,0|2,0,0]=4 8528 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,2,0,0,0,0|2,0,0]=4 8529 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,2,0,0,0,0|2,0,0]=4 8530 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,2,0,0,0,0|1,0,0]=3 8531 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,2,0,0,0,0|1,0,0]=3 8532 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,2,0,0,0,0|2,0,0]=4 8533 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,2,0,0,0,0|2,0,0]=4 8534 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,2,0,0,0,0|2,0,0]=4 8535 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,2,0,0,0,0|1,0,0]=3 8536 B11R0.40 CCSCCOCCC(=NO)N 34a_100000749954_100000757381 [0,2,0,0,0,0|2,0,0]=4 8537 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,2,0,0,0,0|2,0,0]=4 8538 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,2,0,0,0,0|2,0,0]=4 8539 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,2,0,0,0,0|2,0,0]=4 8540 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,2,0,0,0,0|1,0,0]=3 8541 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,2,0,0,0,0|1,0,0]=3 8542 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,2,0,0,0,0|2,0,0]=4 8543 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,2,0,0,0,0|2,0,0]=4 8544 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,2,0,0,0,0|1,0,0]=3 8545 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,2,0,0,0,0|1,0,0]=3 8546 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,2,0,0,0,0|2,0,0]=4 8547 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,2,0,0,0,0|1,0,0]=3 8548 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,2,0,0,0,0|2,0,0]=4 8549 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,2,0,0,0,0|2,0,0]=4 8550 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,2,0,0,0,0|2,0,0]=4 8551 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,2,0,0,0,0|2,0,0]=4 8552 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,2,0,0,0,0|2,0,0]=4 8553 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,2,0,0,0,0|2,0,0]=4 8554 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,2,0,0,0,0|2,0,0]=4 8555 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,2,0,0,0,0|2,0,0]=4 8556 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,2,0,0,0,0|2,0,0]=4 8557 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,2,0,0,0,0|2,0,0]=4 8558 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,2,0,0,0,0|2,0,0]=4 8559 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,2,0,0,0,0|2,0,0]=4 8560 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,2,0,0,0,0|2,0,0]=4 8561 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,2,0,0,0,0|2,0,0]=4 8562 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,2,0,0,0,0|2,0,0]=4 8563 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,2,0,0,0,0|2,0,0]=4 8564 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,2,0,0,0,0|2,0,0]=4 8565 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,2,0,0,0,0|2,0,0]=4 8566 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,2,0,0,0,0|2,0,0]=4 8567 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,2,0,0,0,0|2,0,0]=4 8568 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,2,0,0,0,0|2,0,0]=4 8569 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,2,0,0,0,0|2,0,0]=4 8570 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,2,0,0,0,0|2,0,0]=4 8571 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,2,0,0,0,0|2,0,0]=4 8572 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,2,0,0,0,0|2,0,0]=4 8573 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,2,0,0,0,0|2,0,0]=4 8574 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,2,0,0,0,0|2,0,0]=4 8575 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,2,0,0,0,0|2,0,0]=4 8576 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,2,0,0,0,0|2,0,0]=4 8577 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,2,0,0,0,0|2,0,0]=4 8578 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,2,0,0,0,0|2,0,0]=4 8579 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,2,0,0,0,0|2,0,0]=4 8580 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,2,0,0,0,0|2,0,0]=4 8581 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,2,0,0,0,0|2,0,0]=4 8582 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,2,0,0,0,0|2,0,0]=4 8583 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,2,0,0,0,0|2,0,0]=4 8584 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,2,0,0,0,0|2,0,0]=4 8585 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,2,0,0,0,0|2,0,0]=4 8586 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,2,0,0,0,0|2,0,0]=4 8587 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,2,0,0,0,0|2,0,0]=4 8588 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,2,0,0,0,0|2,0,0]=4 8589 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,2,0,0,0,0|2,0,0]=4 8590 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,2,0,0,0,0|2,0,0]=4 8591 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,2,0,0,0,0|2,0,0]=4 8592 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,2,0,0,0,0|2,0,0]=4 8593 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,2,0,0,0,0|2,0,0]=4 8594 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,2,0,0,0,0|2,0,0]=4 8595 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,2,0,0,0,0|2,0,0]=4 8596 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,2,0,0,0,0|2,0,0]=4 8597 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,2,0,0,0,0|2,0,0]=4 8598 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,2,0,0,0,0|2,0,0]=4 8599 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,2,0,0,0,0|2,0,0]=4 8600 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,2,0,0,0,0|2,0,0]=4 8601 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,2,0,0,0,0|2,0,0]=4 8602 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,2,0,0,0,0|2,0,0]=4 8603 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,2,0,0,0,0|2,0,0]=4 8604 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,2,0,0,0,0|2,0,0]=4 8605 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,2,0,0,0,0|2,0,0]=4 8606 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,2,0,0,0,0|2,0,0]=4 8607 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,2,0,0,0,0|2,0,0]=4 8608 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,2,0,0,0,0|2,0,0]=4 8609 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,2,0,0,0,0|2,0,0]=4 8610 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,2,0,0,0,0|2,0,0]=4 8611 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,2,0,0,0,0|2,0,0]=4 8612 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,2,0,0,0,0|2,0,0]=4 8613 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,2,0,0,0,0|2,0,0]=4 8614 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,2,0,0,0,0|2,0,0]=4 8615 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,2,0,0,0,0|2,0,0]=4 8616 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,2,0,0,0,0|2,0,0]=4 8617 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,2,0,0,0,0|2,0,0]=4 8618 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,2,0,0,0,0|2,0,0]=4 8619 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,2,0,0,0,0|2,0,0]=4 8620 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,2,0,0,0,0|2,0,0]=4 8621 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,2,0,0,0,0|2,0,0]=4 8622 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,2,0,0,0,0|2,0,0]=4 8623 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,2,0,0,0,0|2,0,0]=4 8624 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,2,0,0,0,0|2,0,0]=4 8625 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,2,0,0,0,0|2,0,0]=4 8626 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,2,0,0,0,0|2,0,0]=4 8627 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,2,0,0,0,0|2,0,0]=4 8628 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,2,0,0,0,0|2,0,0]=4 8629 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,2,0,0,0,0|2,0,0]=4 8630 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,2,0,0,0,0|2,0,0]=4 8631 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,2,0,0,0,0|2,0,0]=4 8632 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,2,0,0,0,0|2,0,0]=4 8633 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,2,0,0,0,0|2,0,0]=4 8634 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,2,0,0,0,0|2,0,0]=4 8635 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,2,0,0,0,0|2,0,0]=4 8636 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,2,0,0,0,0|2,0,0]=4 8637 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,2,0,0,0,0|2,0,0]=4 8638 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,2,0,0,0,0|2,0,0]=4 8639 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,2,0,0,0,0|0,0,0]=2 8640 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,2,0,0,0,0|0,0,0]=2 8641 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,2,0,0,0,0|0,0,0]=2 8642 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,2,0,0,0,0|2,0,0]=4 8643 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,2,0,0,0,0|1,0,0]=3 8644 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|0,0,0]=2 8645 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|0,0,0]=2 8646 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,2,0,0,0,0|0,0,0]=2 8647 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,2,0,0,0,0|0,0,0]=2 8648 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,2,0,0,0,0|0,0,0]=2 8649 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,2,0,0,0,0|0,0,0]=2 8650 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,2,0,0,0,0|1,0,0]=3 8651 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,2,0,0,0,0|1,0,0]=3 8652 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,2,0,0,0,0|1,0,0]=3 8653 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,2,0,0,0,0|1,0,0]=3 8654 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,2,0,0,0,0|1,0,0]=3 8655 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,2,0,0,0,0|1,0,0]=3 8656 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,2,0,0,0,0|1,0,0]=3 8657 B11R0.40 COC(=O)CCCCOCC#N 7a_100000059025_100011215382 [0,2,0,0,0,0|1,0,1]=4 8658 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,2,0,0,0,0|1,0,1]=4 8659 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,2,0,0,0,0|1,0,1]=4 8660 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,2,0,0,0,0|1,0,0]=3 8661 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,2,0,0,0,0|1,0,0]=3 8662 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,2,0,0,0,0|1,0,0]=3 8663 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,2,0,0,0,0|1,0,0]=3 8664 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,2,0,0,0,0|1,0,0]=3 8665 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,2,0,0,0,0|1,0,0]=3 8666 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,2,0,0,0,0|1,0,0]=3 8667 B11R0.40 COC(=O)CCCCSCC#N 62a_100000204269_100011215382 [0,2,0,0,0,0|1,0,1]=4 8668 B11R0.40 COC(=O)CCCCSCC#N 62a_100011215382_100000204269 [0,2,0,0,0,0|1,0,1]=4 8669 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,2,0,0,0,0|1,0,1]=4 8670 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,2,0,0,0,0|1,0,1]=4 8671 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,2,0,0,0,0|1,0,0]=3 8672 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,2,0,0,0,0|1,0,0]=3 8673 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,2,0,0,0,0|1,0,0]=3 8674 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,2,0,0,0,0|1,0,0]=3 8675 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,2,0,0,0,0|1,0,0]=3 8676 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,2,0,0,0,0|1,0,0]=3 8677 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,2,0,0,0,0|1,0,0]=3 8678 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,2,0,0,0,0|1,0,0]=3 8679 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,2,0,0,0,0|1,0,0]=3 8680 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,2,0,0,0,0|1,0,0]=3 8681 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,2,0,0,0,0|1,0,0]=3 8682 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,2,0,0,0,0|1,0,0]=3 8683 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,2,0,0,0,0|1,0,0]=3 8684 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [0,2,0,0,0,0|2,0,0]=4 8685 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,2,0,0,0,0|1,0,0]=3 8686 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,2,0,0,0,0|1,0,0]=3 8687 B11R0.40 COC(=O)CCCSCCC#N 62a_100011215226_100011218270 [0,2,0,0,0,0|1,0,1]=4 8688 B11R0.40 COC(=O)CCCSCCC#N 62a_100011218270_100011215226 [0,2,0,0,0,0|1,0,1]=4 8689 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,2,0,0,0,0|1,0,0]=3 8690 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,2,0,0,0,0|1,0,0]=3 8691 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,2,0,0,0,0|1,0,0]=3 8692 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,2,0,0,0,0|1,0,0]=3 8693 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,2,0,0,0,0|1,0,0]=3 8694 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,2,0,0,0,0|1,0,0]=3 8695 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,2,0,0,0,0|1,0,0]=3 8696 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,0]=3 8697 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,2,0,0,0,0|1,0,0]=3 8698 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,2,0,0,0,0|1,0,0]=3 8699 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,2,0,0,0,0|1,0,0]=3 8700 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,2,0,0,0,0|1,0,0]=3 8701 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,2,0,0,0,0|1,0,0]=3 8702 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,2,0,0,0,0|1,0,0]=3 8703 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,2,0,0,0,0|1,0,0]=3 8704 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,0]=3 8705 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,2,0,0,0,0|1,0,0]=3 8706 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,2,0,0,0,0|1,0,0]=3 8707 B11R0.40 COC(=O)CCSCCCC#N 62a_100000204255_100000687738 [0,2,0,0,0,0|1,0,1]=4 8708 B11R0.40 COC(=O)CCSCCCC#N 62a_100000687738_100000204255 [0,2,0,0,0,0|1,0,1]=4 8709 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,2,0,0,0,0|1,0,1]=4 8710 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,2,0,0,0,0|1,0,1]=4 8711 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,2,0,0,0,0|1,0,0]=3 8712 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,2,0,0,0,0|1,0,0]=3 8713 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,2,0,0,0,0|1,0,0]=3 8714 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,2,0,0,0,0|1,0,0]=3 8715 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,2,0,0,0,0|1,0,0]=3 8716 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,0]=3 8717 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,2,0,0,0,0|2,0,0]=4 8718 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,2,0,0,0,0|2,0,0]=4 8719 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [0,2,0,0,0,0|2,0,0]=4 8720 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,2,0,0,0,0|1,0,0]=3 8721 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,2,0,0,0,0|1,0,0]=3 8722 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,2,0,0,0,0|1,0,0]=3 8723 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,2,0,0,0,0|1,0,0]=3 8724 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,2,0,0,0,0|1,0,0]=3 8725 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,2,0,0,0,0|1,0,0]=3 8726 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,0]=3 8727 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,2,0,0,0,0|1,0,0]=3 8728 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,2,0,0,0,0|1,0,0]=3 8729 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [0,2,0,0,0,0|2,0,0]=4 8730 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,2,0,0,0,0|2,0,0]=4 8731 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,2,0,0,0,0|2,0,0]=4 8732 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,2,0,0,0,0|2,0,0]=4 8733 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,2,0,0,0,0|2,0,0]=4 8734 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,2,0,0,0,0|2,0,0]=4 8735 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,2,0,0,0,0|2,0,0]=4 8736 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,2,0,0,0,0|2,0,0]=4 8737 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,2,0,0,0,0|2,0,0]=4 8738 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,2,0,0,0,0|2,0,0]=4 8739 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,2,0,0,0,0|2,0,0]=4 8740 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,2,0,0,0,0|2,0,0]=4 8741 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,2,0,0,0,0|2,0,0]=4 8742 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,2,0,0,0,0|2,0,0]=4 8743 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [0,2,0,0,0,0|2,0,0]=4 8744 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [0,2,0,0,0,0|2,0,0]=4 8745 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,2,0,0,0,0|2,0,0]=4 8746 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,2,0,0,0,0|2,0,0]=4 8747 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [0,2,0,0,0,0|2,0,0]=4 8748 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [0,2,0,0,0,0|2,0,0]=4 8749 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,2,0,0,0,0|1,0,1]=4 8750 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,2,0,0,0,0|1,0,1]=4 8751 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,2,0,0,0,0|1,0,1]=4 8752 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,2,0,0,0,0|1,0,1]=4 8753 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,2,0,0,0,0|1,0,0]=3 8754 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,2,0,0,0,0|1,0,0]=3 8755 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,2,0,0,0,0|1,0,0]=3 8756 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,2,0,0,0,0|1,0,0]=3 8757 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,2,0,0,0,0|2,0,0]=4 8758 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,2,0,0,0,0|2,0,0]=4 8759 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,2,0,0,0,0|2,0,0]=4 8760 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,2,0,0,0,0|2,0,0]=4 8761 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,2,0,0,0,0|2,0,0]=4 8762 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,2,0,0,0,0|2,0,0]=4 8763 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,2,0,0,0,0|2,0,0]=4 8764 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,2,0,0,0,0|2,0,0]=4 8765 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,2,0,0,0,0|2,0,0]=4 8766 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,2,0,0,0,0|2,0,0]=4 8767 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|0,0,0]=2 8768 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|0,0,0]=2 8769 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|0,0,0]=2 8770 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|0,0,0]=2 8771 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|1,0,0]=3 8772 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|1,0,0]=3 8773 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,2,0,0,0,0|1,0,0]=3 8774 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,2,0,0,0,0|1,0,0]=3 8775 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,2,0,0,0,0|1,0,0]=3 8776 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,2,0,0,0,0|1,0,0]=3 8777 B11R0.40 COCCCOCCC(=NO)N 34a_100000749954_100000740836 [0,2,0,0,0,0|2,0,0]=4 8778 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,2,0,0,0,0|1,0,0]=3 8779 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,2,0,0,0,0|1,0,0]=3 8780 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,2,0,0,0,0|1,0,0]=3 8781 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,2,0,0,0,0|2,0,0]=4 8782 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,2,0,0,0,0|1,0,0]=3 8783 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,2,0,0,0,0|1,0,0]=3 8784 B11R0.40 COCCOCCCC(=O)NN 34a_100000211488_100011201679 [0,2,0,0,0,0|2,0,0]=4 8785 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,2,0,0,0,0|1,0,0]=3 8786 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,2,0,0,0,0|2,0,0]=4 8787 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,2,0,0,0,0|2,0,0]=4 8788 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,2,0,0,0,0|2,0,0]=4 8789 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,2,0,0,0,0|2,0,0]=4 8790 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [0,2,0,0,0,0|2,0,0]=4 8791 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [0,2,0,0,0,0|2,0,0]=4 8792 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,2,0,0,0,0|1,0,0]=3 8793 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,2,0,0,0,0|1,0,0]=3 8794 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,2,0,0,0,0|1,0,0]=3 8795 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,2,0,0,0,0|1,0,0]=3 8796 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [0,2,0,0,0,0|2,0,0]=4 8797 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [0,2,0,0,0,0|2,0,0]=4 8798 B11R0.40 CSCCOCCCC(=O)NN 34a_100000211488_100000212216 [0,2,0,0,0,0|2,0,0]=4 8799 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,2,0,0,0,0|0,0,1]=3 8800 B11R0.40 N#CCCCCCNC(=O)CO 240690a_100000061152_100000210174 [0,2,0,0,0,0|1,0,1]=4 8801 B11R0.40 N#CCCCCCNC(=O)CO 527a_100000061152_100000210174 [0,2,0,0,0,0|1,0,1]=4 8802 B11R0.40 NC(=NO)CCOCCCCF 34a_100000749954_100000729493 [0,2,0,0,0,0|2,0,0]=4 8803 B11R0.40 NC(=NO)CCOCCCCO 34a_100000749954_100011216708 [0,2,0,0,0,0|2,0,0]=4 8804 B11R0.40 NNC(=O)CCCOCCCF 34a_100000211488_100011934791 [0,2,0,0,0,0|2,0,0]=4 8805 B11R0.40 NNC(=O)CCCOCCCO 34a_100000211488_100000230001 [0,2,0,0,0,0|2,0,0]=4 8806 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,2,0,0,0,0|1,0,0]=3 8807 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|0,0,0]=2 8808 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|1,0,0]=3 8809 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|1,0,0]=3 8810 B11R0.42 C#CCCCCCC(=O)C(O)O 1458a_100000233687_100012094781 [0,2,0,0,0,0|0,0,2]=4 8811 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [0,2,0,0,0,0|0,0,2]=4 8812 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [0,2,0,0,0,0|0,0,2]=4 8813 B11R0.42 C#CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010269958 [0,2,0,0,0,0|0,0,2]=4 8814 B11R0.42 C#CCCCNCC(C)C(=O)O 269956a_100000749485_100011215417 [0,2,0,0,0,0|0,0,2]=4 8815 B11R0.42 C#CCCCNCC(F)C(=O)O 269956a_100000084737_100011215417 [0,2,0,0,0,0|0,0,2]=4 8816 B11R0.42 C=C(Br)C(=O)NCCCCCC 11a_100000210581_100009813364 [0,2,0,0,0,0|2,0,0]=4 8817 B11R0.42 C=C(Br)C(=O)NCCCCCC 1626a_100000210581_100009813364 [0,2,0,0,0,0|2,0,0]=4 8818 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,2,0,0,0,0|1,0,0]=3 8819 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,2,0,0,0,0|2,0,0]=4 8820 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,2,0,0,0,0|2,0,0]=4 8821 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,2,0,0,0,0|2,0,0]=4 8822 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,2,0,0,0,0|2,0,0]=4 8823 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,2,0,0,0,0|2,0,0]=4 8824 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,2,0,0,0,0|2,0,0]=4 8825 B11R0.42 C=C(Cl)C(=O)NCCCCCC 11a_100000210581_100000039160 [0,2,0,0,0,0|2,0,0]=4 8826 B11R0.42 C=C(Cl)C(=O)NCCCCCC 1626a_100000210581_100000039160 [0,2,0,0,0,0|2,0,0]=4 8827 B11R0.42 C=C(F)C(=O)NCCCCCC 11a_100000210581_100000036797 [0,2,0,0,0,0|2,0,0]=4 8828 B11R0.42 C=C(F)C(=O)NCCCCCC 1626a_100000210581_100000036797 [0,2,0,0,0,0|2,0,0]=4 8829 B11R0.42 C=CCCCCCC(=O)C(O)O 1458a_100000233687_100000700193 [0,2,0,0,0,0|0,0,2]=4 8830 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,2,0,0,0,0|0,0,2]=4 8831 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,2,0,0,0,0|0,0,2]=4 8832 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,2,0,0,0,0|0,0,2]=4 8833 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,2,0,0,0,0|0,0,2]=4 8834 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,2,0,0,0,0|0,0,2]=4 8835 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [0,2,0,0,0,0|2,0,0]=4 8836 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [0,2,0,0,0,0|2,0,0]=4 8837 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,2,0,0,0,0|2,0,0]=4 8838 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,2,0,0,0,0|2,0,0]=4 8839 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,2,0,0,0,0|2,0,0]=4 8840 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [0,2,0,0,0,0|2,0,0]=4 8841 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [0,2,0,0,0,0|2,0,0]=4 8842 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [0,2,0,0,0,0|2,0,0]=4 8843 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [0,2,0,0,0,0|2,0,0]=4 8844 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,2,0,0,0,0|2,0,0]=4 8845 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [0,2,0,0,0,0|2,0,0]=4 8846 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [0,2,0,0,0,0|2,0,0]=4 8847 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,2,0,0,0,0|2,0,0]=4 8848 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,2,0,0,0,0|2,0,0]=4 8849 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,2,0,0,0,0|2,0,0]=4 8850 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,2,0,0,0,0|2,0,0]=4 8851 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,2,0,0,0,0|2,0,0]=4 8852 B11R0.42 CC(CNCCCC#N)C(=O)O 269956a_100000749485_100000687738 [0,2,0,0,0,0|1,0,1]=4 8853 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,2,0,0,0,0|1,0,1]=4 8854 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,2,0,0,0,0|1,0,0]=3 8855 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,2,0,0,0,0|1,0,0]=3 8856 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,2,0,0,0,0|2,0,0]=4 8857 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,2,0,0,0,0|2,0,0]=4 8858 B11R0.42 CC(NCCCCCO)C(=O)N 2230a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 8859 B11R0.42 CC(NCCCCCO)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 8860 B11R0.42 CC(OCCCCCBr)C(=O)N 34a_100000746331_100000702099 [0,2,0,0,0,0|2,0,0]=4 8861 B11R0.42 CC(OCCCCCBr)C(=O)N 7a_100000746331_100000702099 [0,2,0,0,0,0|2,0,0]=4 8862 B11R0.42 CC(OCCCCCCl)C(=O)N 34a_100000746330_100000702099 [0,2,0,0,0,0|2,0,0]=4 8863 B11R0.42 CC(OCCCCCCl)C(=O)N 7a_100000746330_100000702099 [0,2,0,0,0,0|2,0,0]=4 8864 B11R0.42 CC(OCCCCCI)C(=O)N 34a_200012148887_100000702099 [0,2,0,0,0,0|2,0,0]=4 8865 B11R0.42 CC(OCCCCCI)C(=O)N 7a_200012148887_100000702099 [0,2,0,0,0,0|2,0,0]=4 8866 B11R0.42 CC(OCCCCCN)C(=O)N 34a_100000762737_100000702099 [0,2,0,0,0,0|2,0,0]=4 8867 B11R0.42 CC(SCCCCCF)C(=O)N 62a_100000702099_100000729378 [0,2,0,0,0,0|2,0,0]=4 8868 B11R0.42 CC(SCCCCCF)C(=O)N 62a_100000729378_100000702099 [0,2,0,0,0,0|2,0,0]=4 8869 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000702099_100000746330 [0,2,0,0,0,0|2,0,0]=4 8870 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000746330_100000702099 [0,2,0,0,0,0|2,0,0]=4 8871 B11R0.42 CC/C=C\CCN[C@@H](C)C(=O)O 269956a_100000743915_100015370543 [0,2,0,0,0,0|0,0,2]=4 8872 B11R0.42 CC/C=C\CNCC(C)C(=O)O 269956a_100000749485_100103147603 [0,2,0,0,0,0|0,0,2]=4 8873 B11R0.42 CC/C=C\CNCC(F)C(=O)O 269956a_100000084737_100103147603 [0,2,0,0,0,0|0,0,2]=4 8874 B11R0.42 CCC#CCNCC(C)C(=O)O 269956a_100000749485_100009813939 [0,2,0,0,0,0|0,0,2]=4 8875 B11R0.42 CCC#CCNCC(F)C(=O)O 269956a_100000084737_100009813939 [0,2,0,0,0,0|0,0,2]=4 8876 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,2,0,0,0,0|1,0,0]=3 8877 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,2,0,0,0,0|1,0,0]=3 8878 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,2,0,0,0,0|1,0,0]=3 8879 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,2,0,0,0,0|0,0,0]=2 8880 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,2,0,0,0,0|1,0,0]=3 8881 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,2,0,0,0,0|1,0,0]=3 8882 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,2,0,0,0,0|1,0,0]=3 8883 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,2,0,0,0,0|1,0,0]=3 8884 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|0,0,0]=2 8885 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|0,0,0]=2 8886 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|1,0,0]=3 8887 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,2,0,0,0,0|1,0,0]=3 8888 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,2,0,0,0,0|1,0,0]=3 8889 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,2,0,0,0,0|1,0,0]=3 8890 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,2,0,0,0,0|1,0,0]=3 8891 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,2,0,0,0,0|1,0,1]=4 8892 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 8893 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 8894 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 8895 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,2,0,0,0,0|2,0,0]=4 8896 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 8897 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 8898 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 8899 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,2,0,0,0,0|2,0,0]=4 8900 B11R0.42 CCCCCCNC(=O)C(F)F 11a_100000210581_100000210393 [0,2,0,0,0,0|2,0,0]=4 8901 B11R0.42 CCCCCCNC(=O)C(F)F 1626a_100000210581_100000210393 [0,2,0,0,0,0|2,0,0]=4 8902 B11R0.42 CCCCCCNC(=O)C(F)F 240690a_100000210581_100000210393 [0,2,0,0,0,0|2,0,0]=4 8903 B11R0.42 CCCCCCNC(=O)C(F)F 527a_100000210581_100000210393 [0,2,0,0,0,0|2,0,0]=4 8904 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,2,0,0,0,0|1,0,0]=3 8905 B11R0.42 CCCCCCNC(=O)N(C)C 2708a_100000210581_100102631434 [0,2,0,0,0,0|2,0,0]=4 8906 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,2,0,0,0,0|1,0,0]=3 8907 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,2,0,0,0,0|1,0,0]=3 8908 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,2,0,0,0,0|1,0,0]=3 8909 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,2,0,0,0,0|1,0,0]=3 8910 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,2,0,0,0,0|1,0,0]=3 8911 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,2,0,0,0,0|1,0,0]=3 8912 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|0,0,0]=2 8913 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,2,0,0,0,0|1,0,0]=3 8914 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,2,0,0,0,0|1,0,0]=3 8915 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,2,0,0,0,0|1,0,0]=3 8916 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,2,0,0,0,0|1,0,0]=3 8917 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,2,0,0,0,0|1,0,0]=3 8918 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,2,0,0,0,0|1,0,0]=3 8919 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,2,0,0,0,0|1,0,0]=3 8920 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,2,0,0,0,0|1,0,0]=3 8921 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,2,0,0,0,0|0,0,1]=3 8922 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,2,0,0,0,0|0,0,1]=3 8923 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,2,0,0,0,0|1,0,0]=3 8924 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,2,0,0,0,0|1,0,0]=3 8925 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,2,0,0,0,0|1,0,0]=3 8926 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,2,0,0,0,0|1,0,0]=3 8927 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,2,0,0,0,0|1,0,0]=3 8928 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,2,0,0,0,0|1,0,0]=3 8929 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,2,0,0,0,0|1,0,0]=3 8930 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,2,0,0,0,0|1,0,0]=3 8931 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,2,0,0,0,0|0,0,1]=3 8932 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,2,0,0,0,0|0,0,1]=3 8933 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,2,0,0,0,0|2,0,0]=4 8934 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100000209983_100000185267 [0,2,0,0,0,0|2,0,0]=4 8935 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100015183351_100000210326 [0,2,0,0,0,0|2,0,0]=4 8936 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|0,0,0]=2 8937 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|0,0,0]=2 8938 B11R0.42 CCCCCNNC(=O)C(O)O 22a_100000694160_100000233687 [0,2,0,0,0,0|2,0,0]=4 8939 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,2,0,0,0,0|2,0,0]=4 8940 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,2,0,0,0,0|2,0,0]=4 8941 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,2,0,0,0,0|1,0,1]=4 8942 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,2,0,0,0,0|2,0,0]=4 8943 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,2,0,0,0,0|2,0,0]=4 8944 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [0,2,0,0,0,0|2,0,0]=4 8945 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [0,2,0,0,0,0|2,0,0]=4 8946 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,2,0,0,0,0|1,0,0]=3 8947 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,2,0,0,0,0|1,0,0]=3 8948 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000718602 [0,2,0,0,0,0|1,0,1]=4 8949 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210326 [0,2,0,0,0,0|1,0,1]=4 8950 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|1,0,0]=3 8951 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,2,0,0,0,0|1,0,1]=4 8952 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,2,0,0,0,0|1,0,1]=4 8953 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,2,0,0,0,0|2,0,0]=4 8954 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,2,0,0,0,0|2,0,0]=4 8955 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000210326_100000692301 [0,2,0,0,0,0|2,0,0]=4 8956 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000692301_100000210326 [0,2,0,0,0,0|2,0,0]=4 8957 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000102301_100000737620 [0,2,0,0,0,0|2,0,0]=4 8958 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000738053_100000210211 [0,2,0,0,0,0|2,0,0]=4 8959 B11R0.42 CCCCNCCC(=O)N(C)C 7a_106832991798_100000737620 [0,2,0,0,0,0|2,0,0]=4 8960 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,2,0,0,0,0|2,0,0]=4 8961 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,2,0,0,0,0|2,0,0]=4 8962 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,2,0,0,0,0|1,0,0]=3 8963 B11R0.42 CCCCOCCC(=O)N(C)C 34a_200000747469_100000210210 [0,2,0,0,0,0|2,0,0]=4 8964 B11R0.42 CCCCOCCC(=O)N(C)C 7a_100000210227_100000737620 [0,2,0,0,0,0|2,0,0]=4 8965 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,2,0,0,0,0|1,0,0]=3 8966 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,2,0,0,0,0|1,0,0]=3 8967 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,2,0,0,0,0|1,0,0]=3 8968 B11R0.42 CCCCOCN[C@H](C)C(=O)N 2230a_100000119354_100011995733 [0,2,0,0,0,0|2,0,0]=4 8969 B11R0.42 CCCCOCN[C@H](C)C(=O)N 34a_100000119354_100011995733 [0,2,0,0,0,0|2,0,0]=4 8970 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,2,0,0,0,0|2,0,0]=4 8971 B11R0.42 CCCCOCO[C@H](C)C(=O)N 34a_100000731257_100011995733 [0,2,0,0,0,0|2,0,0]=4 8972 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [0,2,0,0,0,0|2,0,0]=4 8973 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [0,2,0,0,0,0|2,0,0]=4 8974 B11R0.42 CCCCOCSC(C)C(=O)N 62a_100000702099_100011995733 [0,2,0,0,0,0|2,0,0]=4 8975 B11R0.42 CCCCOCSC(C)C(=O)N 62a_100011995733_100000702099 [0,2,0,0,0,0|2,0,0]=4 8976 B11R0.42 CCCCOCSC(F)C(=O)N 62a_100009813875_100011995733 [0,2,0,0,0,0|2,0,0]=4 8977 B11R0.42 CCCCOCSC(F)C(=O)N 62a_100011995733_100009813875 [0,2,0,0,0,0|2,0,0]=4 8978 B11R0.42 CCCCOCSC(F)C(=O)[O-] 62a_100011995733_100020610796 [0,2,0,0,0,0|1,0,1]=4 8979 B11R0.42 CCCCOCSC(F)C(=O)[O-] 62a_100020610796_100011995733 [0,2,0,0,0,0|1,0,1]=4 8980 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000210211_100000737620 [0,2,0,0,0,0|2,0,0]=4 8981 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000737620_100000210210 [0,2,0,0,0,0|2,0,0]=4 8982 B11R0.42 CCCNCCCC(=O)N(C)C 2230a_200000744827_100000210303 [0,2,0,0,0,0|2,0,0]=4 8983 B11R0.42 CCCOCCNC(=O)C(O)O 240690a_100161115042_100000233687 [0,2,0,0,0,0|2,0,0]=4 8984 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,2,0,0,0,0|2,0,0]=4 8985 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,2,0,0,0,0|2,0,0]=4 8986 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,2,0,0,0,0|2,0,0]=4 8987 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [0,2,0,0,0,0|2,0,0]=4 8988 B11R0.42 CCCOCCNC(C)C(=O)N 2230a_100161115042_100000702099 [0,2,0,0,0,0|2,0,0]=4 8989 B11R0.42 CCCOCCNC(C)C(=O)N 34a_100161115042_100000702099 [0,2,0,0,0,0|2,0,0]=4 8990 B11R0.42 CCCOCCNC(F)C(=O)N 2230a_100161115042_100009813875 [0,2,0,0,0,0|2,0,0]=4 8991 B11R0.42 CCCOCCNC(F)C(=O)N 34a_100161115042_100009813875 [0,2,0,0,0,0|2,0,0]=4 8992 B11R0.42 CCCOCCNC(F)C(=O)[O-] 34a_100161115042_100020610796 [0,2,0,0,0,0|1,0,1]=4 8993 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,2,0,0,0,0|1,0,0]=3 8994 B11R0.42 CCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215938 [0,2,0,0,0,0|2,0,0]=4 8995 B11R0.42 CCCOCCN[C@H](C)C(=O)N 34a_100000119354_100011215938 [0,2,0,0,0,0|2,0,0]=4 8996 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,2,0,0,0,0|2,0,0]=4 8997 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,2,0,0,0,0|2,0,0]=4 8998 B11R0.42 CCCOCCOC(C)C(=O)N 34a_100000752267_100000702099 [0,2,0,0,0,0|2,0,0]=4 8999 B11R0.42 CCCOCCOC(C)C(=O)N 7a_100000752267_100000702099 [0,2,0,0,0,0|2,0,0]=4 9000 B11R0.42 CCCOCCOC(F)C(=O)N 34a_100000752267_100009813875 [0,2,0,0,0,0|2,0,0]=4 9001 B11R0.42 CCCOCCOC(F)C(=O)N 7a_100000752267_100009813875 [0,2,0,0,0,0|2,0,0]=4 9002 B11R0.42 CCCOCCOC(F)C(=O)[O-] 34a_100000752267_100020610796 [0,2,0,0,0,0|1,0,1]=4 9003 B11R0.42 CCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215938 [0,2,0,0,0,0|1,0,1]=4 9004 B11R0.42 CCCOCCO[C@H](C)C(=O)N 34a_100000731257_100011215938 [0,2,0,0,0,0|2,0,0]=4 9005 B11R0.42 CCCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215938 [0,2,0,0,0,0|2,0,0]=4 9006 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [0,2,0,0,0,0|2,0,0]=4 9007 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [0,2,0,0,0,0|2,0,0]=4 9008 B11R0.42 CCCOCCSC(C)C(=O)N 62a_100000702099_100011215938 [0,2,0,0,0,0|2,0,0]=4 9009 B11R0.42 CCCOCCSC(C)C(=O)N 62a_100011215938_100000702099 [0,2,0,0,0,0|2,0,0]=4 9010 B11R0.42 CCCOCCSC(F)C(=O)N 62a_100009813875_100011215938 [0,2,0,0,0,0|2,0,0]=4 9011 B11R0.42 CCCOCCSC(F)C(=O)N 62a_100011215938_100009813875 [0,2,0,0,0,0|2,0,0]=4 9012 B11R0.42 CCCOCCSC(F)C(=O)[O-] 62a_100011215938_100020610796 [0,2,0,0,0,0|1,0,1]=4 9013 B11R0.42 CCCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215938 [0,2,0,0,0,0|1,0,1]=4 9014 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000210303_100000737642 [0,2,0,0,0,0|2,0,0]=4 9015 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000737642_100000210303 [0,2,0,0,0,0|2,0,0]=4 9016 B11R0.42 CCCSCCNC(=O)C(O)O 240690a_100020603323_100000233687 [0,2,0,0,0,0|2,0,0]=4 9017 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,2,0,0,0,0|2,0,0]=4 9018 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,2,0,0,0,0|2,0,0]=4 9019 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,2,0,0,0,0|2,0,0]=4 9020 B11R0.42 CCCSCCNC(C)C(=O)N 2230a_100020603323_100000702099 [0,2,0,0,0,0|2,0,0]=4 9021 B11R0.42 CCCSCCNC(F)C(=O)N 2230a_100020603323_100009813875 [0,2,0,0,0,0|2,0,0]=4 9022 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,2,0,0,0,0|2,0,0]=4 9023 B11R0.42 CCCSCCOC(C)C(=O)N 34a_200000230433_100000702099 [0,2,0,0,0,0|2,0,0]=4 9024 B11R0.42 CCCSCCOC(C)C(=O)N 7a_200000230433_100000702099 [0,2,0,0,0,0|2,0,0]=4 9025 B11R0.42 CCCSCCOC(F)C(=O)N 34a_200000230433_100009813875 [0,2,0,0,0,0|2,0,0]=4 9026 B11R0.42 CCCSCCOC(F)C(=O)N 7a_200000230433_100009813875 [0,2,0,0,0,0|2,0,0]=4 9027 B11R0.42 CCCSCCOC(F)C(=O)[O-] 34a_200000230433_100020610796 [0,2,0,0,0,0|1,0,1]=4 9028 B11R0.42 CCOCCCCC(=O)N(C)C 34a_100121572206_100000752486 [0,2,0,0,0,0|2,0,0]=4 9029 B11R0.42 CCOCCCNC(=O)C(O)O 240690a_100000210961_100000233687 [0,2,0,0,0,0|2,0,0]=4 9030 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [0,2,0,0,0,0|2,0,0]=4 9031 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [0,2,0,0,0,0|2,0,0]=4 9032 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [0,2,0,0,0,0|2,0,0]=4 9033 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [0,2,0,0,0,0|2,0,0]=4 9034 B11R0.42 CCOCCCNC(C)C(=O)N 2230a_100000210961_100000702099 [0,2,0,0,0,0|2,0,0]=4 9035 B11R0.42 CCOCCCNC(C)C(=O)N 34a_100000210961_100000702099 [0,2,0,0,0,0|2,0,0]=4 9036 B11R0.42 CCOCCCNC(F)C(=O)N 2230a_100000210961_100009813875 [0,2,0,0,0,0|2,0,0]=4 9037 B11R0.42 CCOCCCNC(F)C(=O)N 34a_100000210961_100009813875 [0,2,0,0,0,0|2,0,0]=4 9038 B11R0.42 CCOCCCNC(F)C(=O)[O-] 34a_100000210961_100020610796 [0,2,0,0,0,0|1,0,1]=4 9039 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,2,0,0,0,0|1,0,0]=3 9040 B11R0.42 CCOCCCN[C@H](C)C(=O)N 2230a_100000119354_100012232248 [0,2,0,0,0,0|2,0,0]=4 9041 B11R0.42 CCOCCCN[C@H](C)C(=O)N 34a_100000119354_100012232248 [0,2,0,0,0,0|2,0,0]=4 9042 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [0,2,0,0,0,0|2,0,0]=4 9043 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [0,2,0,0,0,0|2,0,0]=4 9044 B11R0.42 CCOCCCOC(C)C(=O)N 34a_100000757476_100000702099 [0,2,0,0,0,0|2,0,0]=4 9045 B11R0.42 CCOCCCOC(C)C(=O)N 7a_100000757476_100000702099 [0,2,0,0,0,0|2,0,0]=4 9046 B11R0.42 CCOCCCOC(F)C(=O)N 34a_100000757476_100009813875 [0,2,0,0,0,0|2,0,0]=4 9047 B11R0.42 CCOCCCOC(F)C(=O)N 7a_100000757476_100009813875 [0,2,0,0,0,0|2,0,0]=4 9048 B11R0.42 CCOCCCOC(F)C(=O)[O-] 34a_100000757476_100020610796 [0,2,0,0,0,0|1,0,1]=4 9049 B11R0.42 CCOCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012232248 [0,2,0,0,0,0|1,0,1]=4 9050 B11R0.42 CCOCCCO[C@H](C)C(=O)N 34a_100000731257_100012232248 [0,2,0,0,0,0|2,0,0]=4 9051 B11R0.42 CCOCCCO[C@H](C)C(=O)N 7a_100000731257_100012232248 [0,2,0,0,0,0|2,0,0]=4 9052 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [0,2,0,0,0,0|2,0,0]=4 9053 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [0,2,0,0,0,0|2,0,0]=4 9054 B11R0.42 CCOCCCSC(C)C(=O)N 62a_100000702099_100012232248 [0,2,0,0,0,0|2,0,0]=4 9055 B11R0.42 CCOCCCSC(C)C(=O)N 62a_100012232248_100000702099 [0,2,0,0,0,0|2,0,0]=4 9056 B11R0.42 CCOCCCSC(F)C(=O)N 62a_100009813875_100012232248 [0,2,0,0,0,0|2,0,0]=4 9057 B11R0.42 CCOCCCSC(F)C(=O)N 62a_100012232248_100009813875 [0,2,0,0,0,0|2,0,0]=4 9058 B11R0.42 CCOCCCSC(F)C(=O)[O-] 62a_100012232248_100020610796 [0,2,0,0,0,0|1,0,1]=4 9059 B11R0.42 CCOCCCSC(F)C(=O)[O-] 62a_100020610796_100012232248 [0,2,0,0,0,0|1,0,1]=4 9060 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,2,0,0,0,0|1,0,0]=3 9061 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,2,0,0,0,0|1,0,0]=3 9062 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [0,2,0,0,0,0|2,0,0]=4 9063 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [0,2,0,0,0,0|2,0,0]=4 9064 B11R0.42 CCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000210147 [0,2,0,0,0,0|2,0,0]=4 9065 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000210202_100000752486 [0,2,0,0,0,0|2,0,0]=4 9066 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000752486_100000210202 [0,2,0,0,0,0|2,0,0]=4 9067 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [0,2,0,0,0,0|2,0,0]=4 9068 B11R0.42 CCSCCCOC(C)C(=O)N 34a_100011216438_100000702099 [0,2,0,0,0,0|2,0,0]=4 9069 B11R0.42 CCSCCCOC(C)C(=O)N 7a_100011216438_100000702099 [0,2,0,0,0,0|2,0,0]=4 9070 B11R0.42 CCSCCCOC(F)C(=O)N 34a_100011216438_100009813875 [0,2,0,0,0,0|2,0,0]=4 9071 B11R0.42 CCSCCCOC(F)C(=O)N 7a_100011216438_100009813875 [0,2,0,0,0,0|2,0,0]=4 9072 B11R0.42 CCSCCCOC(F)C(=O)[O-] 34a_100011216438_100020610796 [0,2,0,0,0,0|1,0,1]=4 9073 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,2,0,0,0,0|1,0,0]=3 9074 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,2,0,0,0,0|1,0,0]=3 9075 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [0,2,0,0,0,0|2,0,0]=4 9076 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [0,2,0,0,0,0|2,0,0]=4 9077 B11R0.42 CCSCCOC[C@H](N)C(=O)N 34a_100000729942_100000757381 [0,2,0,0,0,0|2,0,0]=4 9078 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,2,0,0,0,0|2,0,0]=4 9079 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,2,0,0,0,0|2,0,0]=4 9080 B11R0.42 COCCCCCC(=O)N(C)C 11a_100102631434_100011935119 [0,2,0,0,0,0|2,0,0]=4 9081 B11R0.42 COCCCCCC(=O)N(C)C 1626a_100102631434_100011935119 [0,2,0,0,0,0|2,0,0]=4 9082 B11R0.42 COCCCCCC(=O)N(C)C 240690a_100102631434_100011935119 [0,2,0,0,0,0|2,0,0]=4 9083 B11R0.42 COCCCCCC(=O)N(C)C 527a_100102631434_100011935119 [0,2,0,0,0,0|2,0,0]=4 9084 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,2,0,0,0,0|1,0,0]=3 9085 B11R0.42 COCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000730899 [0,2,0,0,0,0|2,0,0]=4 9086 B11R0.42 COCCCCN[C@H](C)C(=O)N 34a_100000119354_100000755781 [0,2,0,0,0,0|2,0,0]=4 9087 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,2,0,0,0,0|2,0,0]=4 9088 B11R0.42 COCCCCOC(C)C(=O)N 34a_100000740925_100000702099 [0,2,0,0,0,0|2,0,0]=4 9089 B11R0.42 COCCCCOC(F)C(=O)N 34a_100000740925_100009813875 [0,2,0,0,0,0|2,0,0]=4 9090 B11R0.42 COCCCCOC(F)C(=O)[O-] 34a_100000740925_100020610796 [0,2,0,0,0,0|1,0,1]=4 9091 B11R0.42 COCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730899 [0,2,0,0,0,0|1,0,1]=4 9092 B11R0.42 COCCCCO[C@H](C)C(=O)N 34a_100000731257_100000755781 [0,2,0,0,0,0|2,0,0]=4 9093 B11R0.42 COCCCCO[C@H](C)C(=O)N 7a_100000731257_100000730899 [0,2,0,0,0,0|2,0,0]=4 9094 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,2,0,0,0,0|2,0,0]=4 9095 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,2,0,0,0,0|2,0,0]=4 9096 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000702099_100000730899 [0,2,0,0,0,0|2,0,0]=4 9097 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000730899_100000702099 [0,2,0,0,0,0|2,0,0]=4 9098 B11R0.42 COCCCCSC(F)C(=O)N 62a_100000730899_100009813875 [0,2,0,0,0,0|2,0,0]=4 9099 B11R0.42 COCCCCSC(F)C(=O)N 62a_100009813875_100000730899 [0,2,0,0,0,0|2,0,0]=4 9100 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100000730899_100020610796 [0,2,0,0,0,0|1,0,1]=4 9101 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100020610796_100000730899 [0,2,0,0,0,0|1,0,1]=4 9102 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,2,0,0,0,0|1,0,0]=3 9103 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,2,0,0,0,0|1,0,0]=3 9104 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,2,0,0,0,0|2,0,0]=4 9105 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,2,0,0,0,0|2,0,0]=4 9106 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,2,0,0,0,0|2,0,0]=4 9107 B11R0.42 COCCOCCC(=O)C(O)O 1458a_100000233687_100000695917 [0,2,0,0,0,0|2,0,0]=4 9108 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [0,2,0,0,0,0|2,0,0]=4 9109 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [0,2,0,0,0,0|2,0,0]=4 9110 B11R0.42 COCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000231047 [0,2,0,0,0,0|2,0,0]=4 9111 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,2,0,0,0,0|2,0,0]=4 9112 B11R0.42 CSCCCCOC(C)C(=O)N 34a_100011217163_100000702099 [0,2,0,0,0,0|2,0,0]=4 9113 B11R0.42 CSCCCCOC(C)C(=O)N 7a_100011217163_100000702099 [0,2,0,0,0,0|2,0,0]=4 9114 B11R0.42 CSCCCCOC(F)C(=O)N 34a_100011217163_100009813875 [0,2,0,0,0,0|2,0,0]=4 9115 B11R0.42 CSCCCCOC(F)C(=O)N 7a_100011217163_100009813875 [0,2,0,0,0,0|2,0,0]=4 9116 B11R0.42 CSCCCCOC(F)C(=O)[O-] 34a_100011217163_100020610796 [0,2,0,0,0,0|1,0,1]=4 9117 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 2230a_100000119354_100000729378 [0,2,0,0,0,0|2,0,0]=4 9118 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 34a_100000119354_100000729378 [0,2,0,0,0,0|2,0,0]=4 9119 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 2230a_100000119354_100000746330 [0,2,0,0,0,0|2,0,0]=4 9120 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 34a_100000119354_100000746330 [0,2,0,0,0,0|2,0,0]=4 9121 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [0,2,0,0,0,0|1,0,1]=4 9122 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,2,0,0,0,0|1,0,0]=3 9123 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,2,0,0,0,0|1,0,0]=3 9124 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,2,0,0,0,0|2,0,0]=4 9125 B11R0.42 C[C@@H](OCCCCCF)C(=O)N 34a_100000731257_100000729378 [0,2,0,0,0,0|2,0,0]=4 9126 B11R0.42 C[C@@H](OCCCCCF)C(=O)N 7a_100000731257_100000729378 [0,2,0,0,0,0|2,0,0]=4 9127 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 34a_100000731257_100000746330 [0,2,0,0,0,0|2,0,0]=4 9128 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 7a_100000731257_100000746330 [0,2,0,0,0,0|2,0,0]=4 9129 B11R0.42 C[C@H](NCCCCC#N)C(=O)O 269956a_100000743915_100011219923 [0,2,0,0,0,0|1,0,1]=4 9130 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,2,0,0,0,0|1,0,1]=4 9131 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,2,0,0,0,0|1,0,0]=3 9132 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,2,0,0,0,0|1,0,0]=3 9133 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,2,0,0,0,0|2,0,0]=4 9134 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [0,2,0,0,0,0|1,0,1]=4 9135 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,2,0,0,0,0|1,0,0]=3 9136 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,2,0,0,0,0|1,0,0]=3 9137 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,2,0,0,0,0|2,0,0]=4 9138 B11R0.42 C[C@H](OCCCCCF)C(=O)[O-] 7a_217856618621_100000729378 [0,2,0,0,0,0|1,0,1]=4 9139 B11R0.42 C[C@H](OCCCCCO)C(=O)[O-] 7a_217856618621_100000746330 [0,2,0,0,0,0|1,0,1]=4 9140 B11R0.42 N#CCCCCCC(=O)C(O)O 1458a_100000233687_100009813376 [0,2,0,0,0,0|1,0,1]=4 9141 B11R0.42 N#CCCCNCC(F)C(=O)O 269956a_100000084737_100000687738 [0,2,0,0,0,0|1,0,1]=4 9142 B11R0.42 NC(=O)C(F)NCCCCCO 2230a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 9143 B11R0.42 NC(=O)C(F)NCCCCCO 34a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 9144 B11R0.42 NC(=O)C(F)OCCCCCBr 34a_100000746331_100009813875 [0,2,0,0,0,0|2,0,0]=4 9145 B11R0.42 NC(=O)C(F)OCCCCCBr 7a_100000746331_100009813875 [0,2,0,0,0,0|2,0,0]=4 9146 B11R0.42 NC(=O)C(F)OCCCCCCl 34a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 9147 B11R0.42 NC(=O)C(F)OCCCCCCl 7a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 9148 B11R0.42 NC(=O)C(F)OCCCCCI 34a_200012148887_100009813875 [0,2,0,0,0,0|2,0,0]=4 9149 B11R0.42 NC(=O)C(F)OCCCCCI 7a_200012148887_100009813875 [0,2,0,0,0,0|2,0,0]=4 9150 B11R0.42 NC(=O)C(F)SCCCCCF 62a_100000729378_100009813875 [0,2,0,0,0,0|2,0,0]=4 9151 B11R0.42 NC(=O)C(F)SCCCCCF 62a_100009813875_100000729378 [0,2,0,0,0,0|2,0,0]=4 9152 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100000746330_100009813875 [0,2,0,0,0,0|2,0,0]=4 9153 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100009813875_100000746330 [0,2,0,0,0,0|2,0,0]=4 9154 B11R0.42 NC(=O)[C@@H](N)COCCCCF 34a_100000729942_100000729493 [0,2,0,0,0,0|2,0,0]=4 9155 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,2,0,0,0,0|2,0,0]=4 9156 B11R0.42 NCCCCCOC(F)C(=O)N 34a_100000762737_100009813875 [0,2,0,0,0,0|2,0,0]=4 9157 B11R0.42 NCCCCCOC(F)C(=O)[O-] 34a_100000762737_100020610796 [0,2,0,0,0,0|1,0,1]=4 9158 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,2,0,0,0,0|1,0,0]=3 9159 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,2,0,0,0,0|1,0,0]=3 9160 B11R0.42 O=C(NCCCCCO)C(O)O 240690a_100000762737_100000233687 [0,2,0,0,0,0|2,0,0]=4 9161 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,2,0,0,0,0|1,0,0]=3 9162 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,2,0,0,0,0|1,0,0]=3 9163 B11R0.42 O=C([O-])C(F)NCCCCCO 34a_100000762737_100020610796 [0,2,0,0,0,0|1,0,1]=4 9164 B11R0.42 O=C([O-])C(F)OCCCCCBr 34a_100000746331_100020610796 [0,2,0,0,0,0|1,0,1]=4 9165 B11R0.42 O=C([O-])C(F)OCCCCCCl 34a_100000746330_100020610796 [0,2,0,0,0,0|1,0,1]=4 9166 B11R0.42 O=C([O-])C(F)OCCCCCI 34a_200012148887_100020610796 [0,2,0,0,0,0|1,0,1]=4 9167 B11R0.42 O=C([O-])C(F)SCCCCCF 62a_100000729378_100020610796 [0,2,0,0,0,0|1,0,1]=4 9168 B11R0.42 O=C([O-])C(F)SCCCCCF 62a_100020610796_100000729378 [0,2,0,0,0,0|1,0,1]=4 9169 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100000746330_100020610796 [0,2,0,0,0,0|1,0,1]=4 9170 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100020610796_100000746330 [0,2,0,0,0,0|1,0,1]=4 9171 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [0,2,0,0,0,0|1,0,1]=4 9172 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,2,0,0,0,0|2,0,0]=4 9173 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,2,0,0,0,0|2,0,0]=4 9174 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [0,2,0,0,0,0|2,0,0]=4 9175 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [0,2,0,0,0,0|2,0,0]=4 9176 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [0,2,0,0,0,0|2,0,0]=4 9177 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,2,0,0,0,0|2,0,0]=4 9178 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,2,0,0,0,0|2,0,0]=4 9179 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,2,0,0,0,0|2,0,0]=4 9180 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,2,0,0,0,0|2,0,0]=4 9181 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,2,0,0,0,0|2,0,0]=4 9182 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,2,0,0,0,0|2,0,0]=4 9183 B11R0.46 C=C(F)CNC(C)CCCCC 2230a_100000211957_100009893438 [0,2,0,0,0,0|2,0,0]=4 9184 B11R0.46 C=C(F)COC(C)CCCCC 34a_100011215632_100009893438 [0,2,0,0,0,0|2,0,0]=4 9185 B11R0.46 C=C(F)COC(C)CCCCC 34a_200010262243_200011218191 [0,2,0,0,0,0|2,0,0]=4 9186 B11R0.46 C=C(F)COC(C)CCCCC 7a_100011215632_100000042424 [0,2,0,0,0,0|2,0,0]=4 9187 B11R0.46 C=C(F)CSC(C)CCCCC 62a_100000042424_200011218191 [0,2,0,0,0,0|2,0,0]=4 9188 B11R0.46 C=C(F)CSC(C)CCCCC 62a_200011218191_100000042424 [0,2,0,0,0,0|2,0,0]=4 9189 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [0,2,0,0,0,0|2,0,0]=4 9190 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,2,0,0,0,0|1,0,0]=3 9191 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,2,0,0,0,0|1,0,1]=4 9192 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [0,2,0,0,0,0|1,0,1]=4 9193 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,2,0,0,0,0|1,0,1]=4 9194 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,2,0,0,0,0|1,0,1]=4 9195 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,2,0,0,0,0|1,0,1]=4 9196 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,2,0,0,0,0|1,0,1]=4 9197 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 9198 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 9199 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 9200 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,2,0,0,0,0|1,0,0]=3 9201 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,2,0,0,0,0|1,0,0]=3 9202 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,2,0,0,0,0|1,0,0]=3 9203 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,2,0,0,0,0|1,0,0]=3 9204 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,2,0,0,0,0|0,0,0]=2 9205 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,2,0,0,0,0|1,0,1]=4 9206 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,2,0,0,0,0|1,0,1]=4 9207 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,2,0,0,0,0|1,0,1]=4 9208 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,2,0,0,0,0|1,0,1]=4 9209 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,2,0,0,0,0|1,0,1]=4 9210 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,2,0,0,0,0|1,0,0]=3 9211 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,2,0,0,0,0|1,0,0]=3 9212 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,2,0,0,0,0|1,0,0]=3 9213 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,2,0,0,0,0|0,0,1]=3 9214 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,2,0,0,0,0|1,0,1]=4 9215 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,2,0,0,0,0|1,0,1]=4 9216 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,2,0,0,0,0|1,0,1]=4 9217 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,2,0,0,0,0|1,0,1]=4 9218 B11R0.46 CCCCCC(C)OC[N+](=O)[O-] 34a_100011215632_100000761209 [0,2,0,0,0,0|1,0,1]=4 9219 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,2,0,0,0,0|1,0,0]=3 9220 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,2,0,0,0,0|1,0,0]=3 9221 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,2,0,0,0,0|0,0,1]=3 9222 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,2,0,0,0,0|0,0,1]=3 9223 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,2,0,0,0,0|1,0,1]=4 9224 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,2,0,0,0,0|1,0,1]=4 9225 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,2,0,0,0,0|1,0,1]=4 9226 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,2,0,0,0,0|1,0,1]=4 9227 B11R0.46 CCCCCC(C)SC[N+](=O)[O-] 62a_200011218191_100000761209 [0,2,0,0,0,0|1,0,1]=4 9228 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,2,0,0,0,0|1,0,0]=3 9229 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,2,0,0,0,0|1,0,0]=3 9230 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,2,0,0,0,0|1,0,0]=3 9231 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,2,0,0,0,0|1,0,0]=3 9232 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,2,0,0,0,0|1,0,0]=3 9233 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,2,0,0,0,0|1,0,0]=3 9234 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [0,2,0,0,0,0|1,0,1]=4 9235 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [0,2,0,0,0,0|1,0,1]=4 9236 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,2,0,0,0,0|2,0,0]=4 9237 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [0,2,0,0,0,0|1,0,1]=4 9238 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [0,2,0,0,0,0|1,0,1]=4 9239 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,2,0,0,0,0|2,0,0]=4 9240 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [0,2,0,0,0,0|1,0,1]=4 9241 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [0,2,0,0,0,0|2,0,0]=4 9242 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,2,0,0,0,0|2,0,0]=4 9243 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,2,0,0,0,0|2,0,0]=4 9244 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,2,0,0,0,0|2,0,0]=4 9245 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,2,0,0,0,0|2,0,0]=4 9246 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,2,0,0,0,0|2,0,0]=4 9247 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [0,2,0,0,0,0|1,0,1]=4 9248 B11R0.46 CCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215890 [0,2,0,0,0,0|1,0,1]=4 9249 B11R0.46 CCOCCN(C)CCC(=O)N 2230a_100000730477_100011215890 [0,2,0,0,0,0|2,0,0]=4 9250 B11R0.46 CCSCCC(=O)CCC(=O)N 1458a_100011215257_100000757381 [0,2,0,0,0,0|1,0,1]=4 9251 B11R0.46 CCSCCN(C)CCC(=O)N 2230a_100000730477_100000757381 [0,2,0,0,0,0|2,0,0]=4 9252 B11R0.46 CN(CCCCF)CCC(=O)N 2230a_100000730477_100000729493 [0,2,0,0,0,0|2,0,0]=4 9253 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000717598_100000744528 [0,2,0,0,0,0|2,0,0]=4 9254 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000730477_100000210776 [0,2,0,0,0,0|2,0,0]=4 9255 B11R0.46 CN(CCCCO)CCC(=O)N 269982a_100000717598_100000744528 [0,2,0,0,0,0|2,0,0]=4 9256 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [0,2,0,0,0,0|1,0,1]=4 9257 B11R0.46 COCCCC(C)OCC(=O)N 34a_200011539412_100000187820 [0,2,0,0,0,0|2,0,0]=4 9258 B11R0.46 COCCCC(C)OCC(=O)N 7a_200011539412_100000187820 [0,2,0,0,0,0|2,0,0]=4 9259 B11R0.46 COCCCC(C)OCC(=O)[O-] 34a_200011539412_100020667443 [0,2,0,0,0,0|1,0,1]=4 9260 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [0,2,0,0,0,0|2,0,0]=4 9261 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000224831_100000744528 [0,2,0,0,0,0|2,0,0]=4 9262 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000730477_100000740836 [0,2,0,0,0,0|2,0,0]=4 9263 B11R0.46 COCCCN(C)CCC(=O)N 269982a_100000224831_100000744528 [0,2,0,0,0,0|2,0,0]=4 9264 B11R0.46 NC(=O)CCC(=O)CCCCF 1458a_100011215257_100000729493 [0,2,0,0,0,0|1,0,1]=4 9265 B11R0.46 NC(=O)CCC(=O)CCCCO 1458a_100011215257_100000210776 [0,2,0,0,0,0|1,0,1]=4 9266 B11R0.111 C#CC(=O)CCCCCC(C)C 1458a_100000211873_100000210682 [0,2,0,0,0,0|1,0,0]=3 9267 B11R0.111 C#CC(C)NCCCCC(=O)C 34a_100000707721_100009817362 [0,2,0,0,0,0|2,0,0]=4 9268 B11R0.111 C#CC(C)NCCCCC(=O)N 34a_100000696515_200000035995 [0,2,0,0,0,0|2,0,0]=4 9269 B11R0.111 C#CC(C)NCCOCC(=O)O 269956a_100000700818_200000035995 [0,2,0,0,0,0|2,0,0]=4 9270 B11R0.111 C#CC(C)OCCCCC(=O)N 34a_100012022536_200000035995 [0,2,0,0,0,0|2,0,0]=4 9271 B11R0.111 C#CC(C)SCCCCC(=O)C 62a_200000035995_100000735457 [0,2,0,0,0,0|2,0,0]=4 9272 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,2,0,0,0,0|1,0,1]=4 9273 B11R0.111 C#C[C@@H](C)OCCCCC(=O)C 34a_100009815206_100009817362 [0,2,0,0,0,0|2,0,0]=4 9274 B11R0.111 C#C[C@@H](C)OCCCCC(=O)C 7a_100009815206_100000735457 [0,2,0,0,0,0|2,0,0]=4 9275 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [0,2,0,0,0,0|2,0,0]=4 9276 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,2,0,0,0,0|1,0,1]=4 9277 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [0,2,0,0,0,0|2,0,0]=4 9278 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,2,0,0,0,0|1,0,1]=4 9279 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,2,0,0,0,0|1,0,1]=4 9280 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [0,2,0,0,0,0|1,0,1]=4 9281 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [0,2,0,0,0,0|2,0,0]=4 9282 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [0,2,0,0,0,0|1,0,1]=4 9283 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [0,2,0,0,0,0|1,0,1]=4 9284 B11R0.111 C=C(F)COCCCC(C)CC 7a_100011216074_100000042424 [0,2,0,0,0,0|2,0,0]=4 9285 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,2,0,0,0,0|1,0,0]=3 9286 B11R0.111 C=CC(C)COCCCC(=O)C 34a_100011215527_100000685027 [0,2,0,0,0,0|2,0,0]=4 9287 B11R0.111 C=CC(C)COCCCC(=O)C 7a_100011215527_100011215641 [0,2,0,0,0,0|2,0,0]=4 9288 B11R0.111 C=CC(C)COCCCC(=O)N 34a_100011215527_100102525003 [0,2,0,0,0,0|2,0,0]=4 9289 B11R0.111 C=CC(C)COCCCC(=O)N 7a_100011215527_100102525003 [0,2,0,0,0,0|2,0,0]=4 9290 B11R0.111 C=CC(C)NCCOCC(=O)O 269956a_100000700818_100011215867 [0,2,0,0,0,0|2,0,0]=4 9291 B11R0.111 C=CC(C)OCCCCC(=O)C 34a_100000695699_100009817362 [0,2,0,0,0,0|2,0,0]=4 9292 B11R0.111 C=CC(C)SCCCCC(=O)C 62a_100011215867_100000735457 [0,2,0,0,0,0|2,0,0]=4 9293 B11R0.111 CC(=O)CCCCOC(C)C#N 34a_100011218135_100009817362 [0,2,0,0,0,0|2,0,0]=4 9294 B11R0.111 CC(=O)CCCCOC(C)CF 34a_100016041109_100009817362 [0,2,0,0,0,0|2,0,0]=4 9295 B11R0.111 CC(=O)CCCCOC(C)CF 7a_100016041109_100000735457 [0,2,0,0,0,0|2,0,0]=4 9296 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [0,2,0,0,0,0|2,0,0]=4 9297 B11R0.111 CC(=O)CCCCSC(C)C#N 62a_100000703298_100000735457 [0,2,0,0,0,0|2,0,0]=4 9298 B11R0.111 CC(=O)CCCCSC(C)C#N 62a_100000735457_100000703298 [0,2,0,0,0,0|2,0,0]=4 9299 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [0,2,0,0,0,0|2,0,0]=4 9300 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [0,2,0,0,0,0|2,0,0]=4 9301 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [0,2,0,0,0,0|2,0,0]=4 9302 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [0,2,0,0,0,0|2,0,0]=4 9303 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [0,2,0,0,0,0|2,0,0]=4 9304 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [0,2,0,0,0,0|2,0,0]=4 9305 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [0,2,0,0,0,0|2,0,0]=4 9306 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,2,0,0,0,0|2,0,0]=4 9307 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,2,0,0,0,0|2,0,0]=4 9308 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,2,0,0,0,0|2,0,0]=4 9309 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,2,0,0,0,0|2,0,0]=4 9310 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,2,0,0,0,0|2,0,0]=4 9311 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,2,0,0,0,0|2,0,0]=4 9312 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,2,0,0,0,0|2,0,0]=4 9313 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,2,0,0,0,0|2,0,0]=4 9314 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [0,2,0,0,0,0|2,0,0]=4 9315 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,2,0,0,0,0|2,0,0]=4 9316 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,2,0,0,0,0|2,0,0]=4 9317 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [0,2,0,0,0,0|2,0,0]=4 9318 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [0,2,0,0,0,0|2,0,0]=4 9319 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [0,2,0,0,0,0|2,0,0]=4 9320 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [0,2,0,0,0,0|2,0,0]=4 9321 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,2,0,0,0,0|2,0,0]=4 9322 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,2,0,0,0,0|2,0,0]=4 9323 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,2,0,0,0,0|1,0,1]=4 9324 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,2,0,0,0,0|1,0,1]=4 9325 B11R0.111 CC(C#N)NCCOCC(=O)O 269956a_100000700818_100000184139 [0,2,0,0,0,0|2,0,0]=4 9326 B11R0.111 CC(C#N)OCCCCC(=O)N 7a_100012022536_100000703298 [0,2,0,0,0,0|2,0,0]=4 9327 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,2,0,0,0,0|1,0,0]=3 9328 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,2,0,0,0,0|0,0,0]=2 9329 B11R0.111 CC(C)CCOCCC(=NO)N 34a_100000749954_100000210312 [0,2,0,0,0,0|2,0,0]=4 9330 B11R0.111 CC(C)COCCCC(=O)NN 34a_100000211488_100000210624 [0,2,0,0,0,0|2,0,0]=4 9331 B11R0.111 CC(C)OCCCNC(=O)CO 240690a_100000737246_100000210174 [0,2,0,0,0,0|2,0,0]=4 9332 B11R0.111 CC(C)OCCCNC(=O)CO 527a_100000737246_100000210174 [0,2,0,0,0,0|2,0,0]=4 9333 B11R0.111 CC(CN)COCCCC(=O)N 34a_100000744482_100102525003 [0,2,0,0,0,0|2,0,0]=4 9334 B11R0.111 CC(CO)CCNCCC(=O)N 2230a_106354213184_100000744528 [0,2,0,0,0,0|2,0,0]=4 9335 B11R0.111 CC(CO)CCNCCC(=O)N 34a_106354213184_100000731001 [0,2,0,0,0,0|2,0,0]=4 9336 B11R0.111 CC(CO)CNCCCC(=O)N 34a_100000744482_100102525003 [0,2,0,0,0,0|2,0,0]=4 9337 B11R0.111 CC(CO)NCCCCC(=O)N 34a_100000696515_100012180447 [0,2,0,0,0,0|2,0,0]=4 9338 B11R0.111 CC(CO)OCCCCC(=O)N 34a_100012022536_100012180447 [0,2,0,0,0,0|2,0,0]=4 9339 B11R0.111 CC(CO)OCCCCC(=O)N 7a_100012022536_100012180447 [0,2,0,0,0,0|2,0,0]=4 9340 B11R0.111 CC(O)CCOCCC(=NO)N 34a_100000749954_100012276601 [0,2,0,0,0,0|2,0,0]=4 9341 B11R0.111 CC(O)COCCCC(=O)NN 34a_100000211488_100011218427 [0,2,0,0,0,0|2,0,0]=4 9342 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,2,0,0,0,0|1,0,1]=4 9343 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,2,0,0,0,0|1,0,0]=3 9344 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,2,0,0,0,0|1,0,0]=3 9345 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,2,0,0,0,0|1,0,0]=3 9346 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,2,0,0,0,0|1,0,1]=4 9347 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,2,0,0,0,0|1,0,1]=4 9348 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,2,0,0,0,0|1,0,1]=4 9349 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,2,0,0,0,0|1,0,1]=4 9350 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,2,0,0,0,0|1,0,1]=4 9351 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,2,0,0,0,0|1,0,1]=4 9352 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,2,0,0,0,0|2,0,0]=4 9353 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,2,0,0,0,0|2,0,0]=4 9354 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,2,0,0,0,0|2,0,0]=4 9355 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,2,0,0,0,0|1,0,1]=4 9356 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,2,0,0,0,0|1,0,1]=4 9357 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,2,0,0,0,0|1,0,1]=4 9358 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,2,0,0,0,0|1,0,1]=4 9359 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,2,0,0,0,0|2,0,0]=4 9360 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,2,0,0,0,0|2,0,0]=4 9361 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,2,0,0,0,0|2,0,0]=4 9362 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,2,0,0,0,0|2,0,0]=4 9363 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 9364 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 9365 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 9366 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 9367 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [0,2,0,0,0,0|1,0,0]=3 9368 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,2,0,0,0,0|1,0,1]=4 9369 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,2,0,0,0,0|1,0,1]=4 9370 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [0,2,0,0,0,0|1,0,0]=3 9371 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,2,0,0,0,0|1,0,1]=4 9372 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,2,0,0,0,0|1,0,0]=3 9373 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [0,2,0,0,0,0|1,0,0]=3 9374 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,2,0,0,0,0|1,0,1]=4 9375 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [0,2,0,0,0,0|1,0,0]=3 9376 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,2,0,0,0,0|1,0,1]=4 9377 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [0,2,0,0,0,0|2,0,0]=4 9378 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [0,2,0,0,0,0|2,0,0]=4 9379 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [0,2,0,0,0,0|2,0,0]=4 9380 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [0,2,0,0,0,0|2,0,0]=4 9381 B11R0.111 CCC(C)CNCCNC(=O)N 2230a_100020588543_200000034859 [0,2,0,0,0,0|2,0,0]=4 9382 B11R0.111 CCC(C)CNCCNC(=O)N 34a_100020590234_100000748023 [0,2,0,0,0,0|2,0,0]=4 9383 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,2,0,0,0,0|1,0,0]=3 9384 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,2,0,0,0,0|1,0,0]=3 9385 B11R0.111 CCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000748023 [0,2,0,0,0,0|1,0,1]=4 9386 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [0,2,0,0,0,0|2,0,0]=4 9387 B11R0.111 CCC(C)COCCNC(=O)N 34a_100000181757_100000748023 [0,2,0,0,0,0|2,0,0]=4 9388 B11R0.111 CCC(C)COCCOC(=O)N 7a_100000766696_100000748023 [0,2,0,0,0,0|2,0,0]=4 9389 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,2,0,0,0,0|1,0,0]=3 9390 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,2,0,0,0,0|1,0,0]=3 9391 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [0,2,0,0,0,0|1,0,0]=3 9392 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [0,2,0,0,0,0|1,0,0]=3 9393 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,2,0,0,0,0|1,0,1]=4 9394 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,2,0,0,0,0|1,0,1]=4 9395 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [0,2,0,0,0,0|2,0,0]=4 9396 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [0,2,0,0,0,0|2,0,0]=4 9397 B11R0.111 CCC(C)CSCCNC(=O)N 62a_100000748023_200000034859 [0,2,0,0,0,0|2,0,0]=4 9398 B11R0.111 CCC(C)CSCCNC(=O)N 62a_200000034859_100000748023 [0,2,0,0,0,0|2,0,0]=4 9399 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [0,2,0,0,0,0|2,0,0]=4 9400 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [0,2,0,0,0,0|2,0,0]=4 9401 B11R0.111 CCC(C)CSCCOC(=O)N 62a_100000748023_200011214921 [0,2,0,0,0,0|2,0,0]=4 9402 B11R0.111 CCC(C)CSCCOC(=O)N 62a_200011214921_100000748023 [0,2,0,0,0,0|2,0,0]=4 9403 B11R0.111 CCC(C)NCCCCB(O)O 2230a_100000209981_200009817182 [0,2,0,0,0,0|1,0,1]=4 9404 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [0,2,0,0,0,0|1,0,0]=3 9405 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [0,2,0,0,0,0|2,0,0]=4 9406 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [0,2,0,0,0,0|2,0,0]=4 9407 B11R0.111 CCC(C)NCCOCC(=O)N 2230a_100000209981_100000076697 [0,2,0,0,0,0|2,0,0]=4 9408 B11R0.111 CCC(C)NCCOCC(=O)O 269956a_100000700818_100000758301 [0,2,0,0,0,0|1,0,0]=3 9409 B11R0.111 CCC(C)OCCCCB(O)O 7a_100000210228_200009817182 [0,2,0,0,0,0|1,0,1]=4 9410 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,2,0,0,0,0|1,0,0]=3 9411 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [0,2,0,0,0,0|1,0,0]=3 9412 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [0,2,0,0,0,0|1,0,0]=3 9413 B11R0.111 CCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100011215416 [0,2,0,0,0,0|1,0,1]=4 9414 B11R0.111 CCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000758301 [0,2,0,0,0,0|1,0,1]=4 9415 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [0,2,0,0,0,0|2,0,0]=4 9416 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [0,2,0,0,0,0|2,0,0]=4 9417 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [0,2,0,0,0,0|2,0,0]=4 9418 B11R0.111 CCC(C)OCCOCC(=O)N 7a_100000210228_100000076697 [0,2,0,0,0,0|2,0,0]=4 9419 B11R0.111 CCC(C)SCCCCB(O)O 62a_100000758301_200009817182 [0,2,0,0,0,0|1,0,1]=4 9420 B11R0.111 CCC(C)SCCCCB(O)O 62a_200009817182_100000758301 [0,2,0,0,0,0|1,0,1]=4 9421 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,2,0,0,0,0|1,0,0]=3 9422 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,2,0,0,0,0|1,0,0]=3 9423 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [0,2,0,0,0,0|2,0,0]=4 9424 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [0,2,0,0,0,0|2,0,0]=4 9425 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [0,2,0,0,0,0|2,0,0]=4 9426 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [0,2,0,0,0,0|2,0,0]=4 9427 B11R0.111 CCC(C)SCCOCC(=O)N 62a_100000076697_100000758301 [0,2,0,0,0,0|2,0,0]=4 9428 B11R0.111 CCC(C)SCCOCC(=O)N 62a_100000758301_100000076697 [0,2,0,0,0,0|2,0,0]=4 9429 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [0,2,0,0,0,0|1,0,0]=3 9430 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,2,0,0,0,0|1,0,1]=4 9431 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [0,2,0,0,0,0|2,0,0]=4 9432 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [0,2,0,0,0,0|2,0,0]=4 9433 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [0,2,0,0,0,0|2,0,0]=4 9434 B11R0.111 CCC(O)CNCCNC(=O)N 2230a_100011218483_200000034859 [0,2,0,0,0,0|2,0,0]=4 9435 B11R0.111 CCC(O)CNCCNC(=O)N 34a_100020590234_100011218378 [0,2,0,0,0,0|2,0,0]=4 9436 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,2,0,0,0,0|1,0,0]=3 9437 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,2,0,0,0,0|1,0,0]=3 9438 B11R0.111 CCC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218378 [0,2,0,0,0,0|1,0,1]=4 9439 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,2,0,0,0,0|2,0,0]=4 9440 B11R0.111 CCC(O)COCCNC(=O)N 34a_100000181757_100011218378 [0,2,0,0,0,0|2,0,0]=4 9441 B11R0.111 CCC(O)COCCOC(=O)N 7a_100000766696_100011218378 [0,2,0,0,0,0|2,0,0]=4 9442 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,2,0,0,0,0|1,0,0]=3 9443 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,2,0,0,0,0|1,0,0]=3 9444 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [0,2,0,0,0,0|1,0,0]=3 9445 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [0,2,0,0,0,0|1,0,0]=3 9446 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,2,0,0,0,0|1,0,1]=4 9447 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,2,0,0,0,0|1,0,1]=4 9448 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [0,2,0,0,0,0|2,0,0]=4 9449 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [0,2,0,0,0,0|2,0,0]=4 9450 B11R0.111 CCC(O)CSCCNC(=O)N 62a_100011218378_200000034859 [0,2,0,0,0,0|2,0,0]=4 9451 B11R0.111 CCC(O)CSCCNC(=O)N 62a_200000034859_100011218378 [0,2,0,0,0,0|2,0,0]=4 9452 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,2,0,0,0,0|2,0,0]=4 9453 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,2,0,0,0,0|2,0,0]=4 9454 B11R0.111 CCC(O)CSCCOC(=O)N 62a_100011218378_200011214921 [0,2,0,0,0,0|2,0,0]=4 9455 B11R0.111 CCC(O)CSCCOC(=O)N 62a_200011214921_100011218378 [0,2,0,0,0,0|2,0,0]=4 9456 B11R0.111 CCN(C)CCCCCB(O)O 2230a_100000225621_200009817188 [0,2,0,0,0,0|1,0,1]=4 9457 B11R0.111 CCN(C)CCCCCB(O)O 269982a_100000225621_200009817188 [0,2,0,0,0,0|1,0,1]=4 9458 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [0,2,0,0,0,0|1,0,0]=3 9459 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [0,2,0,0,0,0|1,0,0]=3 9460 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,2,0,0,0,0|2,0,0]=4 9461 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [0,2,0,0,0,0|2,0,0]=4 9462 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [0,2,0,0,0,0|2,0,0]=4 9463 B11R0.111 CCN(C)CCCNCC(=O)N 2230a_100000711301_100015186262 [0,2,0,0,0,0|2,0,0]=4 9464 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [0,2,0,0,0,0|1,0,0]=3 9465 B11R0.111 CCN(C)CCCSCC(=O)N 62a_100000747473_100015186262 [0,2,0,0,0,0|2,0,0]=4 9466 B11R0.111 CCN(C)CCCSCC(=O)[O-] 62a_100020667443_100015186262 [0,2,0,0,0,0|1,0,1]=4 9467 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [0,2,0,0,0,0|1,0,0]=3 9468 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [0,2,0,0,0,0|2,0,0]=4 9469 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [0,2,0,0,0,0|2,0,0]=4 9470 B11R0.111 CC[C@H](C)CNCCNC(=O)N 34a_100020590234_100009816398 [0,2,0,0,0,0|2,0,0]=4 9471 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,2,0,0,0,0|1,0,0]=3 9472 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,2,0,0,0,0|1,0,0]=3 9473 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,2,0,0,0,0|1,0,0]=3 9474 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [0,2,0,0,0,0|1,0,0]=3 9475 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,2,0,0,0,0|1,0,1]=4 9476 B11R0.111 CC[C@H](C)COCCC[N+](=O)[O-] 34a_200000037920_100009816398 [0,2,0,0,0,0|1,0,1]=4 9477 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [0,2,0,0,0,0|2,0,0]=4 9478 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [0,2,0,0,0,0|2,0,0]=4 9479 B11R0.111 CC[C@H](C)COCCNC(=O)N 34a_100000181757_100009816398 [0,2,0,0,0,0|2,0,0]=4 9480 B11R0.111 CC[C@H](C)COCCNC(=O)N 7a_100009816381_200000034859 [0,2,0,0,0,0|2,0,0]=4 9481 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,2,0,0,0,0|2,0,0]=4 9482 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100000766696_100009816398 [0,2,0,0,0,0|2,0,0]=4 9483 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100009816381_200011214921 [0,2,0,0,0,0|2,0,0]=4 9484 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,2,0,0,0,0|1,0,0]=3 9485 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,2,0,0,0,0|1,0,0]=3 9486 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [0,2,0,0,0,0|1,0,0]=3 9487 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [0,2,0,0,0,0|1,0,0]=3 9488 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,2,0,0,0,0|1,0,1]=4 9489 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,2,0,0,0,0|1,0,1]=4 9490 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [0,2,0,0,0,0|2,0,0]=4 9491 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [0,2,0,0,0,0|2,0,0]=4 9492 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_100009816398_200000034859 [0,2,0,0,0,0|2,0,0]=4 9493 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_200000034859_100009816398 [0,2,0,0,0,0|2,0,0]=4 9494 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [0,2,0,0,0,0|2,0,0]=4 9495 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [0,2,0,0,0,0|2,0,0]=4 9496 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_100009816398_200011214921 [0,2,0,0,0,0|2,0,0]=4 9497 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_200011214921_100009816398 [0,2,0,0,0,0|2,0,0]=4 9498 B11R0.111 CN(C)CCCCNC(=O)CO 240690a_100025707445_100000210174 [0,2,0,0,0,0|2,0,0]=4 9499 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,2,0,0,0,0|1,0,0]=3 9500 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,2,0,0,0,0|1,0,0]=3 9501 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,2,0,0,0,0|1,0,0]=3 9502 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,2,0,0,0,0|1,0,0]=3 9503 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,2,0,0,0,0|1,0,1]=4 9504 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000210953_100000741757 [0,2,0,0,0,0|2,0,0]=4 9505 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000740002_100000210760 [0,2,0,0,0,0|2,0,0]=4 9506 B11R0.111 CNC(=O)CCCNCC(C)C 270004a_100000740002_100000210432 [0,2,0,0,0,0|2,0,0]=4 9507 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000210953_100000741757 [0,2,0,0,0,0|2,0,0]=4 9508 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000740002_100000210624 [0,2,0,0,0,0|2,0,0]=4 9509 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000210904_100000741757 [0,2,0,0,0,0|2,0,0]=4 9510 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000740002_100011218427 [0,2,0,0,0,0|2,0,0]=4 9511 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000210904_100000741757 [0,2,0,0,0,0|2,0,0]=4 9512 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000740002_100011218427 [0,2,0,0,0,0|2,0,0]=4 9513 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 2230a_100000740002_100009817552 [0,2,0,0,0,0|2,0,0]=4 9514 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 34a_100000740002_100009817552 [0,2,0,0,0,0|2,0,0]=4 9515 B11R0.111 CNC(=O)CCCOCC(C)Br 34a_100012180447_100000741757 [0,2,0,0,0,0|2,0,0]=4 9516 B11R0.111 CNC(=O)CCCOCC(C)C 34a_100000210257_100000741757 [0,2,0,0,0,0|2,0,0]=4 9517 B11R0.111 CNC(=O)CCCOCC(C)F 34a_100015925927_100000741757 [0,2,0,0,0,0|2,0,0]=4 9518 B11R0.111 CNC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000741757 [0,2,0,0,0,0|2,0,0]=4 9519 B11R0.111 CNC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000741757 [0,2,0,0,0,0|2,0,0]=4 9520 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000210624_100000741757 [0,2,0,0,0,0|2,0,0]=4 9521 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000741757_100000210760 [0,2,0,0,0,0|2,0,0]=4 9522 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100000741757_100011218427 [0,2,0,0,0,0|2,0,0]=4 9523 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100011218427_100000741757 [0,2,0,0,0,0|2,0,0]=4 9524 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100000741757_100009817552 [0,2,0,0,0,0|2,0,0]=4 9525 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100009817552_100000741757 [0,2,0,0,0,0|2,0,0]=4 9526 B11R0.111 CNC(=O)CCNCCC(C)C 2230a_100000738227_100000210312 [0,2,0,0,0,0|2,0,0]=4 9527 B11R0.111 CNC(=O)CCNCCC(C)C 269862a_100000738227_100000185833 [0,2,0,0,0,0|2,0,0]=4 9528 B11R0.111 CNC(=O)CCNCCC(C)C 34a_100000738227_100000210312 [0,2,0,0,0,0|2,0,0]=4 9529 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_100000738227_100012276601 [0,2,0,0,0,0|2,0,0]=4 9530 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_200000755665_100000737683 [0,2,0,0,0,0|2,0,0]=4 9531 B11R0.111 CNC(=O)CCNCCC(C)O 34a_100000738227_100012276601 [0,2,0,0,0,0|2,0,0]=4 9532 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [0,2,0,0,0,0|2,0,0]=4 9533 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [0,2,0,0,0,0|2,0,0]=4 9534 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [0,2,0,0,0,0|2,0,0]=4 9535 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [0,2,0,0,0,0|2,0,0]=4 9536 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [0,2,0,0,0,0|2,0,0]=4 9537 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [0,2,0,0,0,0|2,0,0]=4 9538 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000210312_100000737683 [0,2,0,0,0,0|2,0,0]=4 9539 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000737683_100000210312 [0,2,0,0,0,0|2,0,0]=4 9540 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100000737683_100012276601 [0,2,0,0,0,0|2,0,0]=4 9541 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100012276601_100000737683 [0,2,0,0,0,0|2,0,0]=4 9542 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [0,2,0,0,0,0|2,0,0]=4 9543 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [0,2,0,0,0,0|2,0,0]=4 9544 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [0,2,0,0,0,0|2,0,0]=4 9545 B11R0.111 CNC(=O)CNCCCC(C)O 2230a_100000693194_200000718107 [0,2,0,0,0,0|2,0,0]=4 9546 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [0,2,0,0,0,0|2,0,0]=4 9547 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [0,2,0,0,0,0|2,0,0]=4 9548 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [0,2,0,0,0,0|2,0,0]=4 9549 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,2,0,0,0,0|2,0,0]=4 9550 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [0,2,0,0,0,0|2,0,0]=4 9551 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [0,2,0,0,0,0|2,0,0]=4 9552 B11R0.111 CNC(=O)CSCCCC(C)O 62a_100000183359_200000718107 [0,2,0,0,0,0|2,0,0]=4 9553 B11R0.111 CNC(=O)CSCCCC(C)O 62a_200000718107_100000183359 [0,2,0,0,0,0|2,0,0]=4 9554 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,2,0,0,0,0|0,0,1]=3 9555 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,2,0,0,0,0|0,0,1]=3 9556 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,2,0,0,0,0|0,0,1]=3 9557 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,2,0,0,0,0|1,0,0]=3 9558 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,2,0,0,0,0|1,0,0]=3 9559 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,2,0,0,0,0|1,0,1]=4 9560 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [0,2,0,0,0,0|1,0,0]=3 9561 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [0,2,0,0,0,0|1,0,0]=3 9562 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [0,2,0,0,0,0|1,0,0]=3 9563 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [0,2,0,0,0,0|1,0,0]=3 9564 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [0,2,0,0,0,0|1,0,0]=3 9565 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [0,2,0,0,0,0|1,0,0]=3 9566 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [0,2,0,0,0,0|1,0,0]=3 9567 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,2,0,0,0,0|1,0,1]=4 9568 B11R0.111 COC(=O)CCCNCC(C)C 2230a_100000210953_100011218270 [0,2,0,0,0,0|1,0,0]=3 9569 B11R0.111 COC(=O)CCCNCC(C)C 34a_100000210953_100000742333 [0,2,0,0,0,0|1,0,0]=3 9570 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,2,0,0,0,0|1,0,0]=3 9571 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,2,0,0,0,0|1,0,0]=3 9572 B11R0.111 COC(=O)CCCNCC(F)F 34a_100000765723_100000742333 [0,2,0,0,0,0|2,0,0]=4 9573 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,2,0,0,0,0|1,0,1]=4 9574 B11R0.111 COC(=O)CCCOCC(C)Br 34a_100012180447_100000742333 [0,2,0,0,0,0|1,0,0]=3 9575 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [0,2,0,0,0,0|1,0,0]=3 9576 B11R0.111 COC(=O)CCCOCC(C)F 34a_100015925927_100000742333 [0,2,0,0,0,0|1,0,0]=3 9577 B11R0.111 COC(=O)CCCOCC(F)F 34a_100000743014_100000742333 [0,2,0,0,0,0|2,0,0]=4 9578 B11R0.111 COC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000742333 [0,2,0,0,0,0|1,0,0]=3 9579 B11R0.111 COC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000742333 [0,2,0,0,0,0|1,0,0]=3 9580 B11R0.111 COC(=O)CCCSCC(C)C 62a_100000210624_100011218270 [0,2,0,0,0,0|1,0,0]=3 9581 B11R0.111 COC(=O)CCCSCC(C)C 62a_100011218270_100000210760 [0,2,0,0,0,0|1,0,0]=3 9582 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,2,0,0,0,0|1,0,0]=3 9583 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,2,0,0,0,0|1,0,0]=3 9584 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011218270_100011934356 [0,2,0,0,0,0|2,0,0]=4 9585 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011934356_100011218270 [0,2,0,0,0,0|2,0,0]=4 9586 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,2,0,0,0,0|1,0,0]=3 9587 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,2,0,0,0,0|1,0,0]=3 9588 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,2,0,0,0,0|1,0,0]=3 9589 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,2,0,0,0,0|1,0,1]=4 9590 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,2,0,0,0,0|1,0,1]=4 9591 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [0,2,0,0,0,0|1,0,0]=3 9592 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [0,2,0,0,0,0|1,0,0]=3 9593 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [0,2,0,0,0,0|1,0,0]=3 9594 B11R0.111 COC(=O)CCOCCC(F)F 34a_100103093639_100000742370 [0,2,0,0,0,0|2,0,0]=4 9595 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [0,2,0,0,0,0|1,0,0]=3 9596 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,2,0,0,0,0|1,0,1]=4 9597 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,2,0,0,0,0|1,0,1]=4 9598 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [0,2,0,0,0,0|1,0,0]=3 9599 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [0,2,0,0,0,0|1,0,0]=3 9600 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,2,0,0,0,0|1,0,0]=3 9601 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,2,0,0,0,0|1,0,0]=3 9602 B11R0.111 COC(=O)CCSCCN(C)C 62a_100000204255_100000755713 [0,2,0,0,0,0|2,0,0]=4 9603 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000204255_100000709892 [0,2,0,0,0,0|2,0,0]=4 9604 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000709892_100000204255 [0,2,0,0,0,0|2,0,0]=4 9605 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [0,2,0,0,0,0|1,0,0]=3 9606 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [0,2,0,0,0,0|1,0,0]=3 9607 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [0,2,0,0,0,0|2,0,0]=4 9608 B11R0.111 COC(=O)CNCCOC(C)C 2230a_100000701111_100000747449 [0,2,0,0,0,0|2,0,0]=4 9609 B11R0.111 COC(=O)CNCCOC(C)C 34a_100000701111_100000747449 [0,2,0,0,0,0|2,0,0]=4 9610 B11R0.111 COC(=O)CNCCSC(C)C 2230a_100000731138_100000747449 [0,2,0,0,0,0|2,0,0]=4 9611 B11R0.111 COC(=O)CNCCSC(C)C 34a_100000731138_100000747449 [0,2,0,0,0,0|2,0,0]=4 9612 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,2,0,0,0,0|1,0,1]=4 9613 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,2,0,0,0,0|1,0,1]=4 9614 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,2,0,0,0,0|1,0,0]=3 9615 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,2,0,0,0,0|1,0,0]=3 9616 B11R0.111 COC(=O)COCCNC(C)C 2230a_100138425928_100000090808 [0,2,0,0,0,0|2,0,0]=4 9617 B11R0.111 COC(=O)COCCNC(C)C 34a_100000224655_100000747449 [0,2,0,0,0,0|2,0,0]=4 9618 B11R0.111 COC(=O)COCCNC(C)C 34a_100138425928_100000090808 [0,2,0,0,0,0|2,0,0]=4 9619 B11R0.111 COC(=O)COCCOC(C)C 34a_100000211219_100000747449 [0,2,0,0,0,0|2,0,0]=4 9620 B11R0.111 COC(=O)COCCOC(C)C 34a_100000212225_100000090808 [0,2,0,0,0,0|2,0,0]=4 9621 B11R0.111 COC(=O)COCCOC(C)C 7a_100000211219_100000747449 [0,2,0,0,0,0|2,0,0]=4 9622 B11R0.111 COC(=O)COCCSC(C)C 34a_200011212901_100000747449 [0,2,0,0,0,0|2,0,0]=4 9623 B11R0.111 COC(=O)COCCSC(C)C 62a_100000090808_100000210206 [0,2,0,0,0,0|2,0,0]=4 9624 B11R0.111 COC(=O)COCCSC(C)C 62a_100000210206_100000090808 [0,2,0,0,0,0|2,0,0]=4 9625 B11R0.111 COC(=O)COCCSC(C)C 7a_200011212901_100000747449 [0,2,0,0,0,0|2,0,0]=4 9626 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,2,0,0,0,0|1,0,1]=4 9627 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,2,0,0,0,0|1,0,1]=4 9628 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [0,2,0,0,0,0|1,0,0]=3 9629 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [0,2,0,0,0,0|1,0,0]=3 9630 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,2,0,0,0,0|1,0,0]=3 9631 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,2,0,0,0,0|1,0,0]=3 9632 B11R0.111 COC(=O)CSCCCN(C)C 62a_100000747449_100000757444 [0,2,0,0,0,0|2,0,0]=4 9633 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000211751_100000747449 [0,2,0,0,0,0|2,0,0]=4 9634 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000747449_100000211751 [0,2,0,0,0,0|2,0,0]=4 9635 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000730970_100000747449 [0,2,0,0,0,0|2,0,0]=4 9636 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000747449_100000730970 [0,2,0,0,0,0|2,0,0]=4 9637 B11R0.111 COC(=O)NCCOCC(C)C 34a_100000757965_100000210624 [0,2,0,0,0,0|2,0,0]=4 9638 B11R0.111 COC(=O)NCCOCC(C)O 34a_100000757965_100011218427 [0,2,0,0,0,0|2,0,0]=4 9639 B11R0.111 COC(=O)NCCOC[C@@H](C)O 34a_100000757965_100009817552 [0,2,0,0,0,0|2,0,0]=4 9640 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,2,0,0,0,0|2,0,0]=4 9641 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,2,0,0,0,0|2,0,0]=4 9642 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,2,0,0,0,0|2,0,0]=4 9643 B11R0.111 COC(=O)OCSCCC(C)C 62a_100000210312_100000139417 [0,2,0,0,0,0|2,0,0]=4 9644 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,2,0,0,0,0|2,0,0]=4 9645 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [0,2,0,0,0,0|2,0,0]=4 9646 B11R0.111 COC(C)CCOCCC(=O)N 7a_100000764861_100000744528 [0,2,0,0,0,0|2,0,0]=4 9647 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [0,2,0,0,0,0|2,0,0]=4 9648 B11R0.111 COC(C)COCCCC(=O)N 34a_100000690652_100102525003 [0,2,0,0,0,0|2,0,0]=4 9649 B11R0.111 COC(C)NCCOCC(=O)O 269956a_100000700818_100009879195 [0,2,0,0,0,0|2,0,0]=4 9650 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [0,2,0,0,0,0|2,0,0]=4 9651 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [0,2,0,0,0,0|2,0,0]=4 9652 B11R0.111 C[C@@H](CN)CCCOCC(=O)N 34a_100160569302_100000187820 [0,2,0,0,0,0|2,0,0]=4 9653 B11R0.111 C[C@@H](CN)CCCOCC(=O)[O-] 34a_100160569302_100020667443 [0,2,0,0,0,0|1,0,1]=4 9654 B11R0.111 C[C@@H](CO)CNCCCC(=O)N 34a_100000739312_100000059175 [0,2,0,0,0,0|2,0,0]=4 9655 B11R0.111 C[C@@H](CO)CSCCCC(=O)N 62a_100000059175_100102525003 [0,2,0,0,0,0|2,0,0]=4 9656 B11R0.111 C[C@@H](CO)CSCCCC(=O)N 62a_100102525003_100000059175 [0,2,0,0,0,0|2,0,0]=4 9657 B11R0.111 C[C@@H](O)COCCCC(=O)NN 34a_100000211488_100009817552 [0,2,0,0,0,0|2,0,0]=4 9658 B11R0.111 C[C@H](CO)NCCOCC(=O)O 269956a_100000700818_100016084084 [0,2,0,0,0,0|2,0,0]=4 9659 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,2,0,0,0,0|1,0,1]=4 9660 B11R0.111 NC(=O)CCCNCC(O)CO 34a_100000739312_100011219619 [0,2,0,0,0,0|2,0,0]=4 9661 B11R0.111 NC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100102525003 [0,2,0,0,0,0|2,0,0]=4 9662 B11R0.111 NC(=O)CCCNC[C@@H](O)CF 34a_100000739312_100015614560 [0,2,0,0,0,0|2,0,0]=4 9663 B11R0.111 NC(=O)CCCNC[C@@H](O)CO 34a_100000739312_100009815848 [0,2,0,0,0,0|2,0,0]=4 9664 B11R0.111 NC(=O)CCCOCC(Cl)CCl 34a_100000033668_100102525003 [0,2,0,0,0,0|2,0,0]=4 9665 B11R0.111 NC(=O)CCCSCC(O)CO 62a_100011219619_100102525003 [0,2,0,0,0,0|2,0,0]=4 9666 B11R0.111 NC(=O)CCCSCC(O)CO 62a_100102525003_100011219619 [0,2,0,0,0,0|2,0,0]=4 9667 B11R0.111 NC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100102525003 [0,2,0,0,0,0|2,0,0]=4 9668 B11R0.111 NC(=O)CCCSC[C@@H](O)CF 62a_100102525003_100015614560 [0,2,0,0,0,0|2,0,0]=4 9669 B11R0.111 NC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100102525003 [0,2,0,0,0,0|2,0,0]=4 9670 B11R0.111 NC(=O)CCCSC[C@@H](O)CO 62a_100102525003_100009815848 [0,2,0,0,0,0|2,0,0]=4 9671 B11R0.111 NC[C@@H](F)COCCCC(=O)N 34a_100015665980_100102525003 [0,2,0,0,0,0|2,0,0]=4 9672 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [0,2,0,0,0,0|2,0,0]=4 9673 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,2,0,0,0,0|1,0,0]=3 9674 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,2,0,0,0,0|1,0,0]=3 9675 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,2,0,0,0,0|1,0,0]=3 9676 B11R0.148 C#CCCCCCNCC(=O)N 2230a_100000711301_100012094781 [0,2,0,0,0,0|1,0,1]=4 9677 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,2,0,0,0,0|0,0,1]=3 9678 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,2,0,0,0,0|1,0,1]=4 9679 B11R0.148 C#CCCCCCOCC(=O)N 34a_100000766912_100000187820 [0,2,0,0,0,0|1,0,1]=4 9680 B11R0.148 C#CCCCCCOCC(=O)N 7a_100000766912_100000187820 [0,2,0,0,0,0|1,0,1]=4 9681 B11R0.148 C#CCCCCCOCC(=O)[O-] 34a_100000766912_100020667443 [0,2,0,0,0,0|0,0,2]=4 9682 B11R0.148 C#CCCCCCSCC(=O)N 62a_100000747473_100012094781 [0,2,0,0,0,0|1,0,1]=4 9683 B11R0.148 C#CCCCCCSCC(=O)N 62a_100012094781_100000747473 [0,2,0,0,0,0|1,0,1]=4 9684 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100012094781_100020667443 [0,2,0,0,0,0|0,0,2]=4 9685 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100020667443_100012094781 [0,2,0,0,0,0|0,0,2]=4 9686 B11R0.148 C#CCCCCNCCC(=O)N 2230a_100000706060_100000744528 [0,2,0,0,0,0|1,0,1]=4 9687 B11R0.148 C#CCCCCNCCC(=O)N 34a_100000706060_100000731001 [0,2,0,0,0,0|1,0,1]=4 9688 B11R0.148 C#CCCCCNOCC(=O)O 269956a_100000106656_100010269958 [0,2,0,0,0,0|0,0,2]=4 9689 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,2,0,0,0,0|1,0,1]=4 9690 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,2,0,0,0,0|1,0,1]=4 9691 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,2,0,0,0,0|1,0,1]=4 9692 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000757172_100010269958 [0,2,0,0,0,0|1,0,1]=4 9693 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000766709_100000731001 [0,2,0,0,0,0|1,0,1]=4 9694 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000757172_100010269958 [0,2,0,0,0,0|1,0,1]=4 9695 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000766709_100000744528 [0,2,0,0,0,0|1,0,1]=4 9696 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,2,0,0,0,0|1,0,1]=4 9697 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,2,0,0,0,0|1,0,1]=4 9698 B11R0.148 C#CCCCCSCCC(=O)N 62a_100000744528_100010269958 [0,2,0,0,0,0|1,0,1]=4 9699 B11R0.148 C#CCCCCSCCC(=O)N 62a_100010269958_100000744528 [0,2,0,0,0,0|1,0,1]=4 9700 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,2,0,0,0,0|1,0,1]=4 9701 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000718082_100102525003 [0,2,0,0,0,0|1,0,1]=4 9702 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000739312_100000695029 [0,2,0,0,0,0|1,0,1]=4 9703 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,2,0,0,0,0|1,0,1]=4 9704 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,2,0,0,0,0|1,0,1]=4 9705 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,2,0,0,0,0|1,0,1]=4 9706 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,2,0,0,0,0|1,0,1]=4 9707 B11R0.148 C#CCCCOCCCC(=O)N 34a_100000215630_100102525003 [0,2,0,0,0,0|1,0,1]=4 9708 B11R0.148 C#CCCCOCCCC(=O)N 7a_100000215630_100102525003 [0,2,0,0,0,0|1,0,1]=4 9709 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,2,0,0,0,0|1,0,1]=4 9710 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,2,0,0,0,0|1,0,1]=4 9711 B11R0.148 C#CCCCSCCCC(=O)N 62a_100011215417_100102525003 [0,2,0,0,0,0|1,0,1]=4 9712 B11R0.148 C#CCCCSCCCC(=O)N 62a_100102525003_100011215417 [0,2,0,0,0,0|1,0,1]=4 9713 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,2,0,0,0,0|1,0,1]=4 9714 B11R0.148 C#CCCNCCCCC(=O)N 34a_100000696515_100000688953 [0,2,0,0,0,0|1,0,1]=4 9715 B11R0.148 C#CCCNCCOCC(=O)O 269956a_100000700818_100000688953 [0,2,0,0,0,0|0,0,2]=4 9716 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,2,0,0,0,0|1,0,1]=4 9717 B11R0.148 C#CCCOCCCCC(=O)N 34a_100012022536_100000688953 [0,2,0,0,0,0|1,0,1]=4 9718 B11R0.148 C#CCCOCCCCC(=O)N 7a_100012022536_100000688953 [0,2,0,0,0,0|1,0,1]=4 9719 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,2,0,0,0,0|1,0,1]=4 9720 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,2,0,0,0,0|1,0,1]=4 9721 B11R0.148 C#CCNCCCCCC(=O)N 34a_100000212058_100009817443 [0,2,0,0,0,0|1,0,1]=4 9722 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000123541_100000184674 [0,2,0,0,0,0|1,0,1]=4 9723 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000210247_100009817443 [0,2,0,0,0,0|1,0,1]=4 9724 B11R0.148 C#CCOCCCCCC(=O)N 7a_100000123541_100000038162 [0,2,0,0,0,0|1,0,1]=4 9725 B11R0.148 C#CCOCCCCCC(=O)[O-] 7a_100102619762_100000038162 [0,2,0,0,0,0|0,0,2]=4 9726 B11R0.148 C#CCSCCCCCC(=O)N 62a_100000038162_100009817443 [0,2,0,0,0,0|1,0,1]=4 9727 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,2,0,0,0,0|1,0,1]=4 9728 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,2,0,0,0,0|1,0,1]=4 9729 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,2,0,0,0,0|1,0,1]=4 9730 B11R0.148 C/C=C/CNCCOCC(=O)O 269956a_100000700818_100102629194 [0,2,0,0,0,0|0,0,2]=4 9731 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,2,0,0,0,0|1,0,1]=4 9732 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,2,0,0,0,0|1,0,1]=4 9733 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,2,0,0,0,0|1,0,1]=4 9734 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,2,0,0,0,0|1,0,1]=4 9735 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,2,0,0,0,0|1,0,1]=4 9736 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,2,0,0,0,0|2,0,0]=4 9737 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [0,2,0,0,0,0|2,0,0]=4 9738 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,2,0,0,0,0|2,0,0]=4 9739 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [0,2,0,0,0,0|2,0,0]=4 9740 B11R0.148 C=C(Br)CCOCCCOCC 34a_100009813270_100012232248 [0,2,0,0,0,0|2,0,0]=4 9741 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [0,2,0,0,0,0|2,0,0]=4 9742 B11R0.148 C=C(Br)CCOCOCCCC 34a_100009813270_100011995733 [0,2,0,0,0,0|2,0,0]=4 9743 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,2,0,0,0,0|2,0,0]=4 9744 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,2,0,0,0,0|2,0,0]=4 9745 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,2,0,0,0,0|2,0,0]=4 9746 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,2,0,0,0,0|2,0,0]=4 9747 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,2,0,0,0,0|2,0,0]=4 9748 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,2,0,0,0,0|2,0,0]=4 9749 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,2,0,0,0,0|2,0,0]=4 9750 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,2,0,0,0,0|2,0,0]=4 9751 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,2,0,0,0,0|2,0,0]=4 9752 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,2,0,0,0,0|2,0,0]=4 9753 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,2,0,0,0,0|2,0,0]=4 9754 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,2,0,0,0,0|2,0,0]=4 9755 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,2,0,0,0,0|2,0,0]=4 9756 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,2,0,0,0,0|2,0,0]=4 9757 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,2,0,0,0,0|2,0,0]=4 9758 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,2,0,0,0,0|2,0,0]=4 9759 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,2,0,0,0,0|2,0,0]=4 9760 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,2,0,0,0,0|2,0,0]=4 9761 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,2,0,0,0,0|2,0,0]=4 9762 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,2,0,0,0,0|2,0,0]=4 9763 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,2,0,0,0,0|2,0,0]=4 9764 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,2,0,0,0,0|2,0,0]=4 9765 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,2,0,0,0,0|2,0,0]=4 9766 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,2,0,0,0,0|2,0,0]=4 9767 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,2,0,0,0,0|2,0,0]=4 9768 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,2,0,0,0,0|2,0,0]=4 9769 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,2,0,0,0,0|2,0,0]=4 9770 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,2,0,0,0,0|2,0,0]=4 9771 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,2,0,0,0,0|2,0,0]=4 9772 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,2,0,0,0,0|2,0,0]=4 9773 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,2,0,0,0,0|2,0,0]=4 9774 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,2,0,0,0,0|2,0,0]=4 9775 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,2,0,0,0,0|2,0,0]=4 9776 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,2,0,0,0,0|2,0,0]=4 9777 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,2,0,0,0,0|2,0,0]=4 9778 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,2,0,0,0,0|2,0,0]=4 9779 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,2,0,0,0,0|2,0,0]=4 9780 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,2,0,0,0,0|2,0,0]=4 9781 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,2,0,0,0,0|2,0,0]=4 9782 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,2,0,0,0,0|2,0,0]=4 9783 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,2,0,0,0,0|2,0,0]=4 9784 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,2,0,0,0,0|2,0,0]=4 9785 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,2,0,0,0,0|2,0,0]=4 9786 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,2,0,0,0,0|2,0,0]=4 9787 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,2,0,0,0,0|2,0,0]=4 9788 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,2,0,0,0,0|2,0,0]=4 9789 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,2,0,0,0,0|2,0,0]=4 9790 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,2,0,0,0,0|2,0,0]=4 9791 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,2,0,0,0,0|2,0,0]=4 9792 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,2,0,0,0,0|2,0,0]=4 9793 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,2,0,0,0,0|2,0,0]=4 9794 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,2,0,0,0,0|2,0,0]=4 9795 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,2,0,0,0,0|2,0,0]=4 9796 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,2,0,0,0,0|2,0,0]=4 9797 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,2,0,0,0,0|2,0,0]=4 9798 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,2,0,0,0,0|2,0,0]=4 9799 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,2,0,0,0,0|2,0,0]=4 9800 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,2,0,0,0,0|2,0,0]=4 9801 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,2,0,0,0,0|2,0,0]=4 9802 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,2,0,0,0,0|2,0,0]=4 9803 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,2,0,0,0,0|2,0,0]=4 9804 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,2,0,0,0,0|2,0,0]=4 9805 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,2,0,0,0,0|2,0,0]=4 9806 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,2,0,0,0,0|2,0,0]=4 9807 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,2,0,0,0,0|2,0,0]=4 9808 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,2,0,0,0,0|2,0,0]=4 9809 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,2,0,0,0,0|2,0,0]=4 9810 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,2,0,0,0,0|2,0,0]=4 9811 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,2,0,0,0,0|2,0,0]=4 9812 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,2,0,0,0,0|2,0,0]=4 9813 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,2,0,0,0,0|2,0,0]=4 9814 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,2,0,0,0,0|2,0,0]=4 9815 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,2,0,0,0,0|2,0,0]=4 9816 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,2,0,0,0,0|2,0,0]=4 9817 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,2,0,0,0,0|2,0,0]=4 9818 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,2,0,0,0,0|2,0,0]=4 9819 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,2,0,0,0,0|2,0,0]=4 9820 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,2,0,0,0,0|2,0,0]=4 9821 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,2,0,0,0,0|2,0,0]=4 9822 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,2,0,0,0,0|2,0,0]=4 9823 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,2,0,0,0,0|2,0,0]=4 9824 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,2,0,0,0,0|2,0,0]=4 9825 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,2,0,0,0,0|2,0,0]=4 9826 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,2,0,0,0,0|2,0,0]=4 9827 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,2,0,0,0,0|2,0,0]=4 9828 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,2,0,0,0,0|2,0,0]=4 9829 B11R0.148 C=C(F)CNCCCCCOC 2230a_100000747528_100009893438 [0,2,0,0,0,0|2,0,0]=4 9830 B11R0.148 C=C(F)CNCCCCCOC 34a_100000747528_100009893438 [0,2,0,0,0,0|2,0,0]=4 9831 B11R0.148 C=C(F)CNCCCOCCC 2230a_100011217757_100009893438 [0,2,0,0,0,0|2,0,0]=4 9832 B11R0.148 C=C(F)CNCCCOCCC 34a_100011217757_100009893438 [0,2,0,0,0,0|2,0,0]=4 9833 B11R0.148 C=C(F)CNCCSCCCC 2230a_100025743550_100009893438 [0,2,0,0,0,0|2,0,0]=4 9834 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [0,2,0,0,0,0|2,0,0]=4 9835 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [0,2,0,0,0,0|2,0,0]=4 9836 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,2,0,0,0,0|2,0,0]=4 9837 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,2,0,0,0,0|2,0,0]=4 9838 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,2,0,0,0,0|2,0,0]=4 9839 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [0,2,0,0,0,0|2,0,0]=4 9840 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [0,2,0,0,0,0|2,0,0]=4 9841 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [0,2,0,0,0,0|2,0,0]=4 9842 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [0,2,0,0,0,0|2,0,0]=4 9843 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [0,2,0,0,0,0|2,0,0]=4 9844 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [0,2,0,0,0,0|2,0,0]=4 9845 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,2,0,0,0,0|2,0,0]=4 9846 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [0,2,0,0,0,0|2,0,0]=4 9847 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [0,2,0,0,0,0|2,0,0]=4 9848 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [0,2,0,0,0,0|2,0,0]=4 9849 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [0,2,0,0,0,0|2,0,0]=4 9850 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [0,2,0,0,0,0|2,0,0]=4 9851 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [0,2,0,0,0,0|2,0,0]=4 9852 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,2,0,0,0,0|2,0,0]=4 9853 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,2,0,0,0,0|2,0,0]=4 9854 B11R0.148 C=C(F)CSCCCCCCF 62a_100000042424_100015922095 [0,2,0,0,0,0|2,0,0]=4 9855 B11R0.148 C=C(F)CSCCCCCCF 62a_100015922095_100000042424 [0,2,0,0,0,0|2,0,0]=4 9856 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [0,2,0,0,0,0|2,0,0]=4 9857 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [0,2,0,0,0,0|2,0,0]=4 9858 B11R0.148 C=C(F)CSCCOCCCC 62a_100000042424_100000743108 [0,2,0,0,0,0|2,0,0]=4 9859 B11R0.148 C=C(F)CSCCOCCCC 62a_100000743108_100000042424 [0,2,0,0,0,0|2,0,0]=4 9860 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,2,0,0,0,0|1,0,0]=3 9861 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,2,0,0,0,0|1,0,0]=3 9862 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,2,0,0,0,0|1,0,0]=3 9863 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,2,0,0,0,0|1,0,1]=4 9864 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,2,0,0,0,0|0,0,1]=3 9865 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,2,0,0,0,0|1,0,1]=4 9866 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,2,0,0,0,0|1,0,1]=4 9867 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,2,0,0,0,0|1,0,1]=4 9868 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,2,0,0,0,0|0,0,2]=4 9869 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [0,2,0,0,0,0|1,0,1]=4 9870 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [0,2,0,0,0,0|1,0,1]=4 9871 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [0,2,0,0,0,0|0,0,2]=4 9872 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [0,2,0,0,0,0|0,0,2]=4 9873 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [0,2,0,0,0,0|1,0,1]=4 9874 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [0,2,0,0,0,0|1,0,1]=4 9875 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [0,2,0,0,0,0|0,0,2]=4 9876 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,2,0,0,0,0|1,0,1]=4 9877 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,2,0,0,0,0|1,0,1]=4 9878 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,2,0,0,0,0|1,0,1]=4 9879 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [0,2,0,0,0,0|1,0,1]=4 9880 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [0,2,0,0,0,0|1,0,1]=4 9881 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [0,2,0,0,0,0|1,0,1]=4 9882 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [0,2,0,0,0,0|1,0,1]=4 9883 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,2,0,0,0,0|1,0,1]=4 9884 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,2,0,0,0,0|1,0,1]=4 9885 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [0,2,0,0,0,0|1,0,1]=4 9886 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [0,2,0,0,0,0|1,0,1]=4 9887 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,2,0,0,0,0|1,0,1]=4 9888 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [0,2,0,0,0,0|1,0,1]=4 9889 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [0,2,0,0,0,0|1,0,1]=4 9890 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,2,0,0,0,0|1,0,1]=4 9891 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,2,0,0,0,0|1,0,1]=4 9892 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,2,0,0,0,0|1,0,1]=4 9893 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,2,0,0,0,0|1,0,1]=4 9894 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [0,2,0,0,0,0|1,0,1]=4 9895 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [0,2,0,0,0,0|1,0,1]=4 9896 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,2,0,0,0,0|1,0,1]=4 9897 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,2,0,0,0,0|1,0,1]=4 9898 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [0,2,0,0,0,0|1,0,1]=4 9899 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [0,2,0,0,0,0|1,0,1]=4 9900 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [0,2,0,0,0,0|1,0,1]=4 9901 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [0,2,0,0,0,0|0,0,2]=4 9902 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,2,0,0,0,0|1,0,1]=4 9903 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [0,2,0,0,0,0|1,0,1]=4 9904 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [0,2,0,0,0,0|1,0,1]=4 9905 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,2,0,0,0,0|1,0,1]=4 9906 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,2,0,0,0,0|1,0,1]=4 9907 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [0,2,0,0,0,0|1,0,1]=4 9908 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [0,2,0,0,0,0|1,0,1]=4 9909 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [0,2,0,0,0,0|1,0,1]=4 9910 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [0,2,0,0,0,0|1,0,1]=4 9911 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [0,2,0,0,0,0|0,0,2]=4 9912 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [0,2,0,0,0,0|1,0,1]=4 9913 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [0,2,0,0,0,0|1,0,1]=4 9914 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,2,0,0,0,0|1,0,1]=4 9915 B11R0.148 CC#CCCOCCCC(=O)N 34a_100000750427_100102525003 [0,2,0,0,0,0|1,0,1]=4 9916 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,2,0,0,0,0|1,0,1]=4 9917 B11R0.148 CC#CCNCCCCC(=O)N 34a_100000696515_100000748600 [0,2,0,0,0,0|1,0,1]=4 9918 B11R0.148 CC#CCNCCOCC(=O)O 269956a_100000700818_100000748600 [0,2,0,0,0,0|0,0,2]=4 9919 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,2,0,0,0,0|1,0,1]=4 9920 B11R0.148 CC#CCOCCCCC(=O)N 34a_100012022536_100000748600 [0,2,0,0,0,0|1,0,1]=4 9921 B11R0.148 CC#CCOCCCCC(=O)N 7a_100012022536_100000748600 [0,2,0,0,0,0|1,0,1]=4 9922 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,2,0,0,0,0|1,0,1]=4 9923 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,2,0,0,0,0|1,0,1]=4 9924 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|1,0,0]=3 9925 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,2,0,0,0,0|1,0,0]=3 9926 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,2,0,0,0,0|1,0,0]=3 9927 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,2,0,0,0,0|1,0,0]=3 9928 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,2,0,0,0,0|1,0,0]=3 9929 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,2,0,0,0,0|1,0,0]=3 9930 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,2,0,0,0,0|2,0,0]=4 9931 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,2,0,0,0,0|1,0,1]=4 9932 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,2,0,0,0,0|1,0,1]=4 9933 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,2,0,0,0,0|1,0,0]=3 9934 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,2,0,0,0,0|1,0,0]=3 9935 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|1,0,0]=3 9936 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|1,0,0]=3 9937 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,2,0,0,0,0|1,0,0]=3 9938 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,2,0,0,0,0|1,0,1]=4 9939 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,2,0,0,0,0|1,0,1]=4 9940 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,2,0,0,0,0|1,0,0]=3 9941 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,2,0,0,0,0|1,0,0]=3 9942 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,2,0,0,0,0|1,0,0]=3 9943 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,2,0,0,0,0|1,0,0]=3 9944 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,2,0,0,0,0|1,0,0]=3 9945 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,2,0,0,0,0|1,0,0]=3 9946 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,2,0,0,0,0|1,0,0]=3 9947 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,2,0,0,0,0|1,0,0]=3 9948 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,2,0,0,0,0|1,0,0]=3 9949 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,2,0,0,0,0|1,0,0]=3 9950 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,2,0,0,0,0|1,0,0]=3 9951 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,2,0,0,0,0|1,0,1]=4 9952 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,2,0,0,0,0|1,0,1]=4 9953 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,2,0,0,0,0|1,0,1]=4 9954 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,2,0,0,0,0|1,0,1]=4 9955 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,2,0,0,0,0|1,0,0]=3 9956 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,2,0,0,0,0|1,0,0]=3 9957 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,2,0,0,0,0|1,0,0]=3 9958 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,2,0,0,0,0|1,0,0]=3 9959 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,2,0,0,0,0|1,0,1]=4 9960 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,2,0,0,0,0|1,0,1]=4 9961 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,2,0,0,0,0|1,0,0]=3 9962 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,2,0,0,0,0|1,0,0]=3 9963 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,2,0,0,0,0|1,0,0]=3 9964 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,2,0,0,0,0|1,0,0]=3 9965 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,2,0,0,0,0|1,0,0]=3 9966 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|1,0,0]=3 9967 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|1,0,0]=3 9968 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,2,0,0,0,0|2,0,0]=4 9969 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,2,0,0,0,0|2,0,0]=4 9970 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,2,0,0,0,0|2,0,0]=4 9971 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,2,0,0,0,0|2,0,0]=4 9972 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,2,0,0,0,0|2,0,0]=4 9973 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,2,0,0,0,0|2,0,0]=4 9974 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,2,0,0,0,0|2,0,0]=4 9975 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,2,0,0,0,0|2,0,0]=4 9976 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,2,0,0,0,0|1,0,1]=4 9977 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,2,0,0,0,0|1,0,1]=4 9978 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,2,0,0,0,0|1,0,1]=4 9979 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,2,0,0,0,0|1,0,1]=4 9980 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,2,0,0,0,0|1,0,0]=3 9981 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,2,0,0,0,0|1,0,0]=3 9982 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,2,0,0,0,0|1,0,0]=3 9983 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,2,0,0,0,0|1,0,0]=3 9984 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,2,0,0,0,0|2,0,0]=4 9985 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,2,0,0,0,0|2,0,0]=4 9986 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,2,0,0,0,0|1,0,0]=3 9987 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|1,0,0]=3 9988 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,2,0,0,0,0|1,0,0]=3 9989 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,2,0,0,0,0|1,0,0]=3 9990 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,2,0,0,0,0|1,0,0]=3 9991 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,2,0,0,0,0|2,0,0]=4 9992 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,2,0,0,0,0|2,0,0]=4 9993 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,2,0,0,0,0|2,0,0]=4 9994 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,2,0,0,0,0|2,0,0]=4 9995 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,2,0,0,0,0|2,0,0]=4 9996 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,2,0,0,0,0|2,0,0]=4 9997 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,2,0,0,0,0|2,0,0]=4 9998 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,2,0,0,0,0|2,0,0]=4 9999 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,2,0,0,0,0|2,0,0]=4 10000 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,2,0,0,0,0|2,0,0]=4 10001 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,2,0,0,0,0|2,0,0]=4 10002 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,2,0,0,0,0|2,0,0]=4 10003 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,2,0,0,0,0|2,0,0]=4 10004 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,2,0,0,0,0|2,0,0]=4 10005 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,2,0,0,0,0|2,0,0]=4 10006 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,2,0,0,0,0|2,0,0]=4 10007 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,2,0,0,0,0|2,0,0]=4 10008 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,2,0,0,0,0|2,0,0]=4 10009 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,2,0,0,0,0|2,0,0]=4 10010 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,2,0,0,0,0|2,0,0]=4 10011 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,2,0,0,0,0|2,0,0]=4 10012 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,2,0,0,0,0|2,0,0]=4 10013 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,2,0,0,0,0|2,0,0]=4 10014 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,2,0,0,0,0|2,0,0]=4 10015 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,2,0,0,0,0|2,0,0]=4 10016 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,2,0,0,0,0|2,0,0]=4 10017 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,2,0,0,0,0|2,0,0]=4 10018 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,2,0,0,0,0|2,0,0]=4 10019 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,2,0,0,0,0|2,0,0]=4 10020 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,2,0,0,0,0|2,0,0]=4 10021 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,2,0,0,0,0|2,0,0]=4 10022 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,2,0,0,0,0|2,0,0]=4 10023 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,2,0,0,0,0|2,0,0]=4 10024 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,2,0,0,0,0|2,0,0]=4 10025 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,2,0,0,0,0|2,0,0]=4 10026 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,2,0,0,0,0|2,0,0]=4 10027 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,2,0,0,0,0|2,0,0]=4 10028 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,2,0,0,0,0|2,0,0]=4 10029 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,2,0,0,0,0|2,0,0]=4 10030 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,2,0,0,0,0|2,0,0]=4 10031 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,2,0,0,0,0|2,0,0]=4 10032 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,2,0,0,0,0|2,0,0]=4 10033 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,2,0,0,0,0|2,0,0]=4 10034 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,2,0,0,0,0|2,0,0]=4 10035 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,2,0,0,0,0|2,0,0]=4 10036 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,2,0,0,0,0|2,0,0]=4 10037 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 10038 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 10039 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,2,0,0,0,0|2,0,0]=4 10040 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,2,0,0,0,0|2,0,0]=4 10041 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,2,0,0,0,0|2,0,0]=4 10042 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,2,0,0,0,0|2,0,0]=4 10043 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,2,0,0,0,0|2,0,0]=4 10044 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,2,0,0,0,0|2,0,0]=4 10045 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,2,0,0,0,0|2,0,0]=4 10046 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,2,0,0,0,0|2,0,0]=4 10047 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,2,0,0,0,0|2,0,0]=4 10048 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,2,0,0,0,0|2,0,0]=4 10049 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,2,0,0,0,0|2,0,0]=4 10050 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,2,0,0,0,0|2,0,0]=4 10051 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,2,0,0,0,0|2,0,0]=4 10052 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,2,0,0,0,0|2,0,0]=4 10053 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,2,0,0,0,0|2,0,0]=4 10054 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,2,0,0,0,0|2,0,0]=4 10055 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,2,0,0,0,0|2,0,0]=4 10056 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,2,0,0,0,0|2,0,0]=4 10057 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,2,0,0,0,0|2,0,0]=4 10058 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,2,0,0,0,0|2,0,0]=4 10059 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,2,0,0,0,0|2,0,0]=4 10060 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,2,0,0,0,0|2,0,0]=4 10061 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,2,0,0,0,0|2,0,0]=4 10062 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,2,0,0,0,0|2,0,0]=4 10063 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,2,0,0,0,0|2,0,0]=4 10064 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,2,0,0,0,0|2,0,0]=4 10065 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,2,0,0,0,0|2,0,0]=4 10066 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,2,0,0,0,0|2,0,0]=4 10067 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,2,0,0,0,0|2,0,0]=4 10068 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,2,0,0,0,0|2,0,0]=4 10069 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,2,0,0,0,0|2,0,0]=4 10070 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,2,0,0,0,0|2,0,0]=4 10071 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,2,0,0,0,0|2,0,0]=4 10072 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,2,0,0,0,0|2,0,0]=4 10073 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,2,0,0,0,0|2,0,0]=4 10074 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,2,0,0,0,0|2,0,0]=4 10075 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,2,0,0,0,0|1,0,1]=4 10076 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,2,0,0,0,0|1,0,1]=4 10077 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,2,0,0,0,0|1,0,1]=4 10078 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,2,0,0,0,0|1,0,1]=4 10079 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,2,0,0,0,0|1,0,1]=4 10080 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,2,0,0,0,0|1,0,1]=4 10081 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,2,0,0,0,0|1,0,1]=4 10082 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,2,0,0,0,0|1,0,1]=4 10083 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,2,0,0,0,0|1,0,1]=4 10084 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,2,0,0,0,0|1,0,1]=4 10085 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,2,0,0,0,0|1,0,1]=4 10086 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,2,0,0,0,0|1,0,1]=4 10087 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,2,0,0,0,0|1,0,1]=4 10088 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,2,0,0,0,0|1,0,1]=4 10089 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,2,0,0,0,0|1,0,1]=4 10090 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,2,0,0,0,0|1,0,1]=4 10091 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,2,0,0,0,0|1,0,1]=4 10092 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,2,0,0,0,0|1,0,1]=4 10093 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,2,0,0,0,0|1,0,1]=4 10094 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,2,0,0,0,0|1,0,1]=4 10095 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,2,0,0,0,0|1,0,1]=4 10096 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,2,0,0,0,0|1,0,1]=4 10097 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,2,0,0,0,0|1,0,1]=4 10098 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,2,0,0,0,0|1,0,1]=4 10099 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,2,0,0,0,0|1,0,1]=4 10100 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,2,0,0,0,0|1,0,1]=4 10101 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,2,0,0,0,0|1,0,1]=4 10102 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,2,0,0,0,0|1,0,1]=4 10103 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,2,0,0,0,0|1,0,1]=4 10104 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|1,0,1]=4 10105 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,2,0,0,0,0|1,0,1]=4 10106 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,2,0,0,0,0|1,0,1]=4 10107 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|1,0,1]=4 10108 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,2,0,0,0,0|1,0,1]=4 10109 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,2,0,0,0,0|1,0,1]=4 10110 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,2,0,0,0,0|1,0,1]=4 10111 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,2,0,0,0,0|1,0,1]=4 10112 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,2,0,0,0,0|1,0,1]=4 10113 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,2,0,0,0,0|1,0,1]=4 10114 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,2,0,0,0,0|1,0,1]=4 10115 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,2,0,0,0,0|1,0,1]=4 10116 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,2,0,0,0,0|1,0,1]=4 10117 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,2,0,0,0,0|1,0,1]=4 10118 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,2,0,0,0,0|1,0,1]=4 10119 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,2,0,0,0,0|1,0,1]=4 10120 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,2,0,0,0,0|1,0,1]=4 10121 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,2,0,0,0,0|1,0,1]=4 10122 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,2,0,0,0,0|0,0,2]=4 10123 B11R0.148 CC/C=C\CCNOCC(=O)O 269956a_100000106656_100015370543 [0,2,0,0,0,0|0,0,2]=4 10124 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|1,0,1]=4 10125 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|1,0,1]=4 10126 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|1,0,1]=4 10127 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,2,0,0,0,0|1,0,1]=4 10128 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,2,0,0,0,0|1,0,1]=4 10129 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,2,0,0,0,0|1,0,1]=4 10130 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,2,0,0,0,0|1,0,1]=4 10131 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,2,0,0,0,0|1,0,1]=4 10132 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,2,0,0,0,0|1,0,1]=4 10133 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,2,0,0,0,0|1,0,1]=4 10134 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,2,0,0,0,0|1,0,1]=4 10135 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,2,0,0,0,0|1,0,1]=4 10136 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,2,0,0,0,0|1,0,1]=4 10137 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,2,0,0,0,0|1,0,1]=4 10138 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,2,0,0,0,0|1,0,1]=4 10139 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,2,0,0,0,0|1,0,1]=4 10140 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,2,0,0,0,0|1,0,1]=4 10141 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,2,0,0,0,0|1,0,1]=4 10142 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,2,0,0,0,0|1,0,1]=4 10143 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,2,0,0,0,0|1,0,1]=4 10144 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,2,0,0,0,0|1,0,1]=4 10145 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,2,0,0,0,0|1,0,1]=4 10146 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,2,0,0,0,0|1,0,1]=4 10147 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,2,0,0,0,0|1,0,1]=4 10148 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,2,0,0,0,0|1,0,1]=4 10149 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,2,0,0,0,0|1,0,1]=4 10150 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,2,0,0,0,0|1,0,1]=4 10151 B11R0.148 CCC#CCCOCCC(=O)N 34a_100000036655_100000731001 [0,2,0,0,0,0|1,0,1]=4 10152 B11R0.148 CCC#CCCOCCC(=O)N 7a_100000036655_100000744528 [0,2,0,0,0,0|1,0,1]=4 10153 B11R0.148 CCC#CCNCCCC(=O)N 34a_100000739312_100009813939 [0,2,0,0,0,0|1,0,1]=4 10154 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,2,0,0,0,0|1,0,1]=4 10155 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,2,0,0,0,0|1,0,1]=4 10156 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,2,0,0,0,0|1,0,1]=4 10157 B11R0.148 CCC#CCOCCCC(=O)N 34a_100000032950_100102525003 [0,2,0,0,0,0|1,0,1]=4 10158 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,2,0,0,0,0|1,0,1]=4 10159 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,2,0,0,0,0|1,0,1]=4 10160 B11R0.148 CCC#CCSCCCC(=O)N 62a_100009813939_100102525003 [0,2,0,0,0,0|1,0,1]=4 10161 B11R0.148 CCC#CCSCCCC(=O)N 62a_100102525003_100009813939 [0,2,0,0,0,0|1,0,1]=4 10162 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,2,0,0,0,0|1,0,1]=4 10163 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,2,0,0,0,0|1,0,1]=4 10164 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,2,0,0,0,0|1,0,1]=4 10165 B11R0.148 CCCC#CCCOCC(=O)N 34a_100000042726_100000187820 [0,2,0,0,0,0|1,0,1]=4 10166 B11R0.148 CCCC#CCCOCC(=O)N 7a_100000042726_100000187820 [0,2,0,0,0,0|1,0,1]=4 10167 B11R0.148 CCCC#CCCOCC(=O)[O-] 34a_100000042726_100020667443 [0,2,0,0,0,0|0,0,2]=4 10168 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,2,0,0,0,0|1,0,1]=4 10169 B11R0.148 CCCC#CCOCCC(=O)N 34a_100000034806_100000731001 [0,2,0,0,0,0|1,0,1]=4 10170 B11R0.148 CCCC#CCOCCC(=O)N 7a_100000034806_100000744528 [0,2,0,0,0,0|1,0,1]=4 10171 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,2,0,0,0,0|1,0,1]=4 10172 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,2,0,0,0,0|1,0,1]=4 10173 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,2,0,0,0,0|0,0,2]=4 10174 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,2,0,0,0,0|1,0,0]=3 10175 B11R0.148 CCCCC#CCOCC(=O)N 34a_200000034558_100000187820 [0,2,0,0,0,0|1,0,1]=4 10176 B11R0.148 CCCCC#CCOCC(=O)N 7a_200000034558_100000187820 [0,2,0,0,0,0|1,0,1]=4 10177 B11R0.148 CCCCC#CCOCC(=O)[O-] 34a_200000034558_100020667443 [0,2,0,0,0,0|0,0,2]=4 10178 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|1,0,0]=3 10179 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|1,0,0]=3 10180 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|1,0,0]=3 10181 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|1,0,0]=3 10182 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,2,0,0,0,0|1,0,1]=4 10183 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,2,0,0,0,0|1,0,0]=3 10184 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,2,0,0,0,0|1,0,0]=3 10185 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,2,0,0,0,0|1,0,0]=3 10186 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,2,0,0,0,0|1,0,0]=3 10187 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,2,0,0,0,0|1,0,0]=3 10188 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,2,0,0,0,0|1,0,0]=3 10189 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,2,0,0,0,0|1,0,0]=3 10190 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,2,0,0,0,0|1,0,0]=3 10191 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,2,0,0,0,0|1,0,0]=3 10192 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,2,0,0,0,0|1,0,0]=3 10193 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,2,0,0,0,0|1,0,0]=3 10194 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,2,0,0,0,0|0,0,0]=2 10195 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,2,0,0,0,0|1,0,1]=4 10196 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,2,0,0,0,0|1,0,1]=4 10197 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,2,0,0,0,0|1,0,1]=4 10198 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,2,0,0,0,0|1,0,1]=4 10199 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|1,0,0]=3 10200 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,2,0,0,0,0|1,0,0]=3 10201 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,2,0,0,0,0|1,0,0]=3 10202 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,2,0,0,0,0|0,0,1]=3 10203 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,2,0,0,0,0|1,0,1]=4 10204 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,2,0,0,0,0|1,0,1]=4 10205 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,2,0,0,0,0|1,0,1]=4 10206 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,2,0,0,0,0|1,0,1]=4 10207 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,2,0,0,0,0|1,0,1]=4 10208 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,2,0,0,0,0|1,0,0]=3 10209 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,2,0,0,0,0|1,0,0]=3 10210 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,2,0,0,0,0|0,0,1]=3 10211 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,2,0,0,0,0|0,0,1]=3 10212 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,2,0,0,0,0|1,0,1]=4 10213 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,2,0,0,0,0|1,0,1]=4 10214 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,2,0,0,0,0|1,0,1]=4 10215 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,2,0,0,0,0|1,0,1]=4 10216 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,2,0,0,0,0|1,0,1]=4 10217 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,2,0,0,0,0|2,0,0]=4 10218 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,2,0,0,0,0|2,0,0]=4 10219 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,2,0,0,0,0|1,0,0]=3 10220 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,2,0,0,0,0|1,0,1]=4 10221 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,2,0,0,0,0|1,0,1]=4 10222 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,2,0,0,0,0|0,0,0]=2 10223 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,2,0,0,0,0|2,0,0]=4 10224 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,2,0,0,0,0|2,0,0]=4 10225 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,2,0,0,0,0|2,0,0]=4 10226 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|1,0,0]=3 10227 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|1,0,0]=3 10228 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|1,0,0]=3 10229 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,2,0,0,0,0|1,0,0]=3 10230 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,2,0,0,0,0|1,0,0]=3 10231 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,2,0,0,0,0|1,0,0]=3 10232 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,2,0,0,0,0|1,0,0]=3 10233 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,2,0,0,0,0|1,0,1]=4 10234 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,2,0,0,0,0|1,0,1]=4 10235 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,2,0,0,0,0|1,0,0]=3 10236 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,2,0,0,0,0|2,0,0]=4 10237 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,2,0,0,0,0|2,0,0]=4 10238 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,2,0,0,0,0|1,0,0]=3 10239 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,2,0,0,0,0|1,0,0]=3 10240 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,2,0,0,0,0|1,0,0]=3 10241 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,2,0,0,0,0|1,0,0]=3 10242 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,2,0,0,0,0|1,0,1]=4 10243 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,2,0,0,0,0|1,0,1]=4 10244 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,2,0,0,0,0|1,0,0]=3 10245 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,2,0,0,0,0|1,0,0]=3 10246 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,2,0,0,0,0|2,0,0]=4 10247 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,2,0,0,0,0|2,0,0]=4 10248 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,2,0,0,0,0|1,0,0]=3 10249 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,2,0,0,0,0|1,0,1]=4 10250 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,2,0,0,0,0|2,0,0]=4 10251 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,2,0,0,0,0|1,0,0]=3 10252 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,2,0,0,0,0|1,0,0]=3 10253 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,2,0,0,0,0|1,0,0]=3 10254 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,2,0,0,0,0|1,0,0]=3 10255 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,2,0,0,0,0|2,0,0]=4 10256 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,2,0,0,0,0|2,0,0]=4 10257 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,2,0,0,0,0|2,0,0]=4 10258 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,2,0,0,0,0|2,0,0]=4 10259 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,2,0,0,0,0|1,0,0]=3 10260 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,2,0,0,0,0|1,0,0]=3 10261 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,2,0,0,0,0|1,0,0]=3 10262 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,2,0,0,0,0|1,0,0]=3 10263 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,2,0,0,0,0|1,0,0]=3 10264 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,2,0,0,0,0|1,0,0]=3 10265 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,2,0,0,0,0|1,0,1]=4 10266 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,2,0,0,0,0|1,0,1]=4 10267 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,2,0,0,0,0|1,0,1]=4 10268 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,2,0,0,0,0|1,0,0]=3 10269 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,2,0,0,0,0|1,0,0]=3 10270 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,2,0,0,0,0|1,0,0]=3 10271 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,2,0,0,0,0|1,0,0]=3 10272 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,2,0,0,0,0|1,0,0]=3 10273 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,2,0,0,0,0|1,0,0]=3 10274 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,2,0,0,0,0|1,0,0]=3 10275 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,2,0,0,0,0|1,0,0]=3 10276 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,2,0,0,0,0|1,0,0]=3 10277 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,2,0,0,0,0|2,0,0]=4 10278 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,2,0,0,0,0|2,0,0]=4 10279 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,2,0,0,0,0|2,0,0]=4 10280 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,2,0,0,0,0|2,0,0]=4 10281 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,2,0,0,0,0|1,0,0]=3 10282 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,2,0,0,0,0|1,0,0]=3 10283 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,2,0,0,0,0|1,0,0]=3 10284 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,2,0,0,0,0|1,0,0]=3 10285 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,2,0,0,0,0|1,0,1]=4 10286 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,2,0,0,0,0|1,0,1]=4 10287 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,2,0,0,0,0|1,0,0]=3 10288 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,2,0,0,0,0|1,0,0]=3 10289 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,2,0,0,0,0|1,0,0]=3 10290 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,2,0,0,0,0|1,0,0]=3 10291 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,2,0,0,0,0|1,0,0]=3 10292 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,2,0,0,0,0|1,0,0]=3 10293 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,2,0,0,0,0|1,0,0]=3 10294 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,2,0,0,0,0|1,0,0]=3 10295 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,2,0,0,0,0|1,0,1]=4 10296 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,2,0,0,0,0|1,0,1]=4 10297 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,2,0,0,0,0|1,0,0]=3 10298 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,2,0,0,0,0|1,0,0]=3 10299 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,2,0,0,0,0|1,0,0]=3 10300 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,2,0,0,0,0|1,0,0]=3 10301 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,2,0,0,0,0|1,1,0]=4 10302 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,2,0,0,0,0|1,1,0]=4 10303 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,2,0,0,0,0|1,0,0]=3 10304 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,2,0,0,0,0|1,0,0]=3 10305 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,2,0,0,0,0|1,0,0]=3 10306 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,2,0,0,0,0|1,0,0]=3 10307 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,2,0,0,0,0|0,0,0]=2 10308 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,2,0,0,0,0|1,0,1]=4 10309 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,2,0,0,0,0|1,0,1]=4 10310 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,2,0,0,0,0|1,0,0]=3 10311 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,2,0,0,0,0|1,0,0]=3 10312 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,2,0,0,0,0|1,0,0]=3 10313 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,2,0,0,0,0|1,0,0]=3 10314 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,2,0,0,0,0|1,0,1]=4 10315 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,2,0,0,0,0|1,0,1]=4 10316 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,2,0,0,0,0|1,0,0]=3 10317 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,2,0,0,0,0|1,0,0]=3 10318 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,2,0,0,0,0|1,0,0]=3 10319 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,2,0,0,0,0|1,0,0]=3 10320 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,2,0,0,0,0|1,0,0]=3 10321 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,2,0,0,0,0|1,0,0]=3 10322 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,2,0,0,0,0|1,1,0]=4 10323 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,2,0,0,0,0|1,1,0]=4 10324 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,2,0,0,0,0|1,0,0]=3 10325 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,2,0,0,0,0|1,0,0]=3 10326 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,2,0,0,0,0|1,0,0]=3 10327 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,2,0,0,0,0|0,0,0]=2 10328 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,2,0,0,0,0|1,0,1]=4 10329 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,2,0,0,0,0|1,0,1]=4 10330 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,2,0,0,0,0|1,0,0]=3 10331 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,2,0,0,0,0|1,0,0]=3 10332 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,2,0,0,0,0|1,0,0]=3 10333 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,2,0,0,0,0|1,0,0]=3 10334 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,2,0,0,0,0|1,0,0]=3 10335 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,2,0,0,0,0|1,0,0]=3 10336 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,2,0,0,0,0|1,0,0]=3 10337 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,2,0,0,0,0|0,0,1]=3 10338 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,2,0,0,0,0|1,0,1]=4 10339 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,2,0,0,0,0|1,0,1]=4 10340 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,2,0,0,0,0|1,0,1]=4 10341 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,2,0,0,0,0|1,0,1]=4 10342 B11R0.148 CCCCOCCOC[N+](=O)[O-] 34a_100000210238_100000761209 [0,2,0,0,0,0|1,0,1]=4 10343 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,2,0,0,0,0|1,0,0]=3 10344 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,2,0,0,0,0|1,0,0]=3 10345 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,2,0,0,0,0|0,0,1]=3 10346 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,2,0,0,0,0|0,0,1]=3 10347 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,2,0,0,0,0|1,0,1]=4 10348 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,2,0,0,0,0|1,0,1]=4 10349 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,2,0,0,0,0|1,0,1]=4 10350 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,2,0,0,0,0|1,0,1]=4 10351 B11R0.148 CCCCOCCSC[N+](=O)[O-] 62a_100000743108_100000761209 [0,2,0,0,0,0|1,0,1]=4 10352 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,2,0,0,0,0|1,0,1]=4 10353 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,2,0,0,0,0|1,0,0]=3 10354 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,2,0,0,0,0|1,0,0]=3 10355 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,2,0,0,0,0|1,0,0]=3 10356 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,2,0,0,0,0|1,0,0]=3 10357 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,2,0,0,0,0|1,0,0]=3 10358 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,2,0,0,0,0|1,0,0]=3 10359 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,2,0,0,0,0|1,0,0]=3 10360 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,2,0,0,0,0|1,0,1]=4 10361 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,2,0,0,0,0|1,0,1]=4 10362 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,2,0,0,0,0|2,0,0]=4 10363 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,2,0,0,0,0|2,0,0]=4 10364 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,2,0,0,0,0|1,0,1]=4 10365 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,2,0,0,0,0|1,0,1]=4 10366 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,2,0,0,0,0|1,0,0]=3 10367 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,2,0,0,0,0|1,0,0]=3 10368 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,2,0,0,0,0|1,0,0]=3 10369 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,2,0,0,0,0|1,0,0]=3 10370 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,2,0,0,0,0|1,1,0]=4 10371 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,2,0,0,0,0|1,1,0]=4 10372 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,2,0,0,0,0|1,0,0]=3 10373 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,2,0,0,0,0|1,0,0]=3 10374 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,2,0,0,0,0|1,0,0]=3 10375 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,2,0,0,0,0|1,0,1]=4 10376 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,2,0,0,0,0|1,0,1]=4 10377 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,2,0,0,0,0|1,0,0]=3 10378 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,2,0,0,0,0|1,0,0]=3 10379 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,2,0,0,0,0|1,0,0]=3 10380 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,2,0,0,0,0|1,0,0]=3 10381 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,2,0,0,0,0|0,0,1]=3 10382 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,2,0,0,0,0|1,0,1]=4 10383 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,2,0,0,0,0|1,0,1]=4 10384 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,2,0,0,0,0|1,0,1]=4 10385 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,2,0,0,0,0|1,0,1]=4 10386 B11R0.148 CCCCSCCOC[N+](=O)[O-] 34a_200000230436_100000761209 [0,2,0,0,0,0|1,0,1]=4 10387 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,2,0,0,0,0|1,0,0]=3 10388 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,2,0,0,0,0|1,0,0]=3 10389 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,2,0,0,0,0|1,0,1]=4 10390 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,2,0,0,0,0|1,0,0]=3 10391 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,2,0,0,0,0|1,0,0]=3 10392 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,2,0,0,0,0|1,0,0]=3 10393 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,2,0,0,0,0|0,0,1]=3 10394 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,2,0,0,0,0|1,0,0]=3 10395 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,2,0,0,0,0|1,0,0]=3 10396 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,2,0,0,0,0|1,0,0]=3 10397 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,2,0,0,0,0|1,0,1]=4 10398 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,2,0,0,0,0|1,0,0]=3 10399 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,2,0,0,0,0|1,0,0]=3 10400 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,2,0,0,0,0|1,0,0]=3 10401 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,2,0,0,0,0|0,0,1]=3 10402 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,2,0,0,0,0|1,0,1]=4 10403 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,2,0,0,0,0|1,0,1]=4 10404 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,2,0,0,0,0|1,0,1]=4 10405 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,2,0,0,0,0|1,0,1]=4 10406 B11R0.148 CCCOCCCNC[N+](=O)[O-] 34a_100011217757_100000761209 [0,2,0,0,0,0|1,0,1]=4 10407 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,2,0,0,0,0|1,0,0]=3 10408 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,2,0,0,0,0|1,0,0]=3 10409 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,2,0,0,0,0|1,0,1]=4 10410 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,2,0,0,0,0|1,0,1]=4 10411 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,2,0,0,0,0|1,0,1]=4 10412 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,2,0,0,0,0|2,0,0]=4 10413 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,2,0,0,0,0|1,0,0]=3 10414 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|1,0,0]=3 10415 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|1,0,0]=3 10416 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|1,0,0]=3 10417 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,2,0,0,0,0|1,0,0]=3 10418 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,2,0,0,0,0|1,0,0]=3 10419 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,2,0,0,0,0|1,0,0]=3 10420 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,2,0,0,0,0|1,0,0]=3 10421 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,2,0,0,0,0|1,0,1]=4 10422 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,2,0,0,0,0|1,0,1]=4 10423 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,2,0,0,0,0|2,0,0]=4 10424 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,2,0,0,0,0|1,0,0]=3 10425 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,2,0,0,0,0|1,0,0]=3 10426 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,2,0,0,0,0|1,0,0]=3 10427 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,2,0,0,0,0|1,0,0]=3 10428 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,2,0,0,0,0|1,0,1]=4 10429 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,2,0,0,0,0|1,0,1]=4 10430 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,2,0,0,0,0|2,0,0]=4 10431 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,2,0,0,0,0|2,0,0]=4 10432 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,2,0,0,0,0|2,0,0]=4 10433 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,2,0,0,0,0|1,0,1]=4 10434 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,2,0,0,0,0|1,0,1]=4 10435 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,2,0,0,0,0|1,0,0]=3 10436 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,2,0,0,0,0|1,0,0]=3 10437 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,2,0,0,0,0|1,0,0]=3 10438 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,2,0,0,0,0|1,0,0]=3 10439 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,2,0,0,0,0|1,0,1]=4 10440 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,2,0,0,0,0|1,0,0]=3 10441 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,2,0,0,0,0|1,0,0]=3 10442 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,2,0,0,0,0|1,0,0]=3 10443 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,2,0,0,0,0|1,0,1]=4 10444 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|1,0,0]=3 10445 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,2,0,0,0,0|1,0,0]=3 10446 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,2,0,0,0,0|1,0,0]=3 10447 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,2,0,0,0,0|1,0,1]=4 10448 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,2,0,0,0,0|1,0,1]=4 10449 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,2,0,0,0,0|2,0,0]=4 10450 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,2,0,0,0,0|2,0,0]=4 10451 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,2,0,0,0,0|2,0,0]=4 10452 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,2,0,0,0,0|1,0,1]=4 10453 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,2,0,0,0,0|1,0,0]=3 10454 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,2,0,0,0,0|1,0,0]=3 10455 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,2,0,0,0,0|1,0,0]=3 10456 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,2,0,0,0,0|2,0,0]=4 10457 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,2,0,0,0,0|1,0,1]=4 10458 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,2,0,0,0,0|1,0,0]=3 10459 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,2,0,0,0,0|1,0,0]=3 10460 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,2,0,0,0,0|1,0,0]=3 10461 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,2,0,0,0,0|1,0,1]=4 10462 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,2,0,0,0,0|1,0,1]=4 10463 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,2,0,0,0,0|1,0,1]=4 10464 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,2,0,0,0,0|2,0,0]=4 10465 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,2,0,0,0,0|1,0,0]=3 10466 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,2,0,0,0,0|1,0,0]=3 10467 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,2,0,0,0,0|1,0,0]=3 10468 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,2,0,0,0,0|1,0,0]=3 10469 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,2,0,0,0,0|1,0,0]=3 10470 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,2,0,0,0,0|1,0,0]=3 10471 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,2,0,0,0,0|1,0,0]=3 10472 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,2,0,0,0,0|1,0,0]=3 10473 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,2,0,0,0,0|1,0,1]=4 10474 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,2,0,0,0,0|1,0,1]=4 10475 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,2,0,0,0,0|2,0,0]=4 10476 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,2,0,0,0,0|1,0,0]=3 10477 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,2,0,0,0,0|1,0,0]=3 10478 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,2,0,0,0,0|1,0,0]=3 10479 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,2,0,0,0,0|1,0,0]=3 10480 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,2,0,0,0,0|1,0,1]=4 10481 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,2,0,0,0,0|1,0,1]=4 10482 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,2,0,0,0,0|2,0,0]=4 10483 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,2,0,0,0,0|2,0,0]=4 10484 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,2,0,0,0,0|1,0,0]=3 10485 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,2,0,0,0,0|1,0,0]=3 10486 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,2,0,0,0,0|1,0,0]=3 10487 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,2,0,0,0,0|1,0,1]=4 10488 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,2,0,0,0,0|1,0,1]=4 10489 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,2,0,0,0,0|2,0,0]=4 10490 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,2,0,0,0,0|2,0,0]=4 10491 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,2,0,0,0,0|2,0,0]=4 10492 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,2,0,0,0,0|2,0,0]=4 10493 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,2,0,0,0,0|2,0,0]=4 10494 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,2,0,0,0,0|2,0,0]=4 10495 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,2,0,0,0,0|2,0,0]=4 10496 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,2,0,0,0,0|1,0,0]=3 10497 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,2,0,0,0,0|1,0,0]=3 10498 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,2,0,0,0,0|1,0,0]=3 10499 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,2,0,0,0,0|1,0,0]=3 10500 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,2,0,0,0,0|1,0,0]=3 10501 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,2,0,0,0,0|1,0,0]=3 10502 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,2,0,0,0,0|1,0,1]=4 10503 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,2,0,0,0,0|1,0,1]=4 10504 B11R0.148 CCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000210147 [0,2,0,0,0,0|1,0,1]=4 10505 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,2,0,0,0,0|2,0,0]=4 10506 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,2,0,0,0,0|2,0,0]=4 10507 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,2,0,0,0,0|2,0,0]=4 10508 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,2,0,0,0,0|2,0,0]=4 10509 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,2,0,0,0,0|2,0,0]=4 10510 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,2,0,0,0,0|2,0,0]=4 10511 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,2,0,0,0,0|2,0,0]=4 10512 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,2,0,0,0,0|2,0,0]=4 10513 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,2,0,0,0,0|2,0,0]=4 10514 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,2,0,0,0,0|2,0,0]=4 10515 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,2,0,0,0,0|2,0,0]=4 10516 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,2,0,0,0,0|2,0,0]=4 10517 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,2,0,0,0,0|2,0,0]=4 10518 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,2,0,0,0,0|2,0,0]=4 10519 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,2,0,0,0,0|1,0,0]=3 10520 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,2,0,0,0,0|1,0,0]=3 10521 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,2,0,0,0,0|1,0,0]=3 10522 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,2,0,0,0,0|1,0,0]=3 10523 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,2,0,0,0,0|1,0,1]=4 10524 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,2,0,0,0,0|1,0,1]=4 10525 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,2,0,0,0,0|2,0,0]=4 10526 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,2,0,0,0,0|2,0,0]=4 10527 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,2,0,0,0,0|2,0,0]=4 10528 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,2,0,0,0,0|2,0,0]=4 10529 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,2,0,0,0,0|2,0,0]=4 10530 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,2,0,0,0,0|2,0,0]=4 10531 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,2,0,0,0,0|2,0,0]=4 10532 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,2,0,0,0,0|2,0,0]=4 10533 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,2,0,0,0,0|1,0,0]=3 10534 B11R0.148 CCOCSCCCCB(O)O 62a_100000739092_200009817182 [0,2,0,0,0,0|1,0,1]=4 10535 B11R0.148 CCOCSCCCCB(O)O 62a_200009817182_100000739092 [0,2,0,0,0,0|1,0,1]=4 10536 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,2,0,0,0,0|1,0,0]=3 10537 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,2,0,0,0,0|1,0,0]=3 10538 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,2,0,0,0,0|2,0,0]=4 10539 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,2,0,0,0,0|2,0,0]=4 10540 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,2,0,0,0,0|2,0,0]=4 10541 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,2,0,0,0,0|2,0,0]=4 10542 B11R0.148 CCOCSCCOCC(=O)N 62a_100000076697_100000739092 [0,2,0,0,0,0|2,0,0]=4 10543 B11R0.148 CCOCSCCOCC(=O)N 62a_100000739092_100000076697 [0,2,0,0,0,0|2,0,0]=4 10544 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,2,0,0,0,0|1,0,1]=4 10545 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,2,0,0,0,0|1,0,1]=4 10546 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,2,0,0,0,0|1,0,0]=3 10547 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,2,0,0,0,0|1,0,0]=3 10548 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,2,0,0,0,0|1,0,0]=3 10549 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,2,0,0,0,0|1,0,0]=3 10550 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,2,0,0,0,0|1,0,0]=3 10551 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,2,0,0,0,0|1,0,1]=4 10552 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,2,0,0,0,0|1,0,1]=4 10553 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,2,0,0,0,0|2,0,0]=4 10554 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,2,0,0,0,0|1,0,0]=3 10555 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,2,0,0,0,0|1,0,1]=4 10556 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,2,0,0,0,0|2,0,0]=4 10557 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,2,0,0,0,0|2,0,0]=4 10558 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,2,0,0,0,0|2,0,0]=4 10559 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,2,0,0,0,0|2,0,0]=4 10560 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,2,0,0,0,0|2,0,0]=4 10561 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,2,0,0,0,0|1,0,0]=3 10562 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,2,0,0,0,0|1,0,0]=3 10563 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,2,0,0,0,0|1,0,0]=3 10564 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,2,0,0,0,0|1,0,0]=3 10565 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,2,0,0,0,0|1,0,0]=3 10566 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,2,0,0,0,0|1,0,0]=3 10567 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,2,0,0,0,0|1,0,1]=4 10568 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,2,0,0,0,0|1,0,1]=4 10569 B11R0.148 CCSCCOCCC[N+](=O)[O-] 34a_200000037920_100000757381 [0,2,0,0,0,0|1,0,1]=4 10570 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,2,0,0,0,0|2,0,0]=4 10571 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,2,0,0,0,0|2,0,0]=4 10572 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,2,0,0,0,0|2,0,0]=4 10573 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,2,0,0,0,0|2,0,0]=4 10574 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,2,0,0,0,0|2,0,0]=4 10575 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,2,0,0,0,0|2,0,0]=4 10576 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,2,0,0,0,0|2,0,0]=4 10577 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,2,0,0,0,0|2,0,0]=4 10578 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,2,0,0,0,0|2,0,0]=4 10579 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,2,0,0,0,0|2,0,0]=4 10580 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,2,0,0,0,0|2,0,0]=4 10581 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,2,0,0,0,0|1,0,0]=3 10582 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,2,0,0,0,0|1,0,0]=3 10583 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,2,0,0,0,0|1,0,0]=3 10584 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,2,0,0,0,0|1,0,0]=3 10585 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,2,0,0,0,0|1,0,1]=4 10586 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,2,0,0,0,0|1,0,1]=4 10587 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,2,0,0,0,0|2,0,0]=4 10588 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,2,0,0,0,0|2,0,0]=4 10589 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,2,0,0,0,0|2,0,0]=4 10590 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,2,0,0,0,0|2,0,0]=4 10591 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,2,0,0,0,0|2,0,0]=4 10592 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,2,0,0,0,0|2,0,0]=4 10593 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,2,0,0,0,0|2,0,0]=4 10594 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,2,0,0,0,0|2,0,0]=4 10595 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,2,0,0,0,0|1,0,0]=3 10596 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,2,0,0,0,0|1,0,0]=3 10597 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,2,0,0,0,0|1,0,0]=3 10598 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,2,0,0,0,0|0,0,1]=3 10599 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,2,0,0,0,0|1,0,1]=4 10600 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,2,0,0,0,0|1,0,1]=4 10601 B11R0.148 CNCCCCCOC[N+](=O)[O-] 34a_100000722520_100000761209 [0,2,0,0,0,0|1,0,1]=4 10602 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,2,0,0,0,0|1,0,0]=3 10603 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,2,0,0,0,0|1,0,0]=3 10604 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,2,0,0,0,0|1,0,1]=4 10605 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,2,0,0,0,0|2,0,0]=4 10606 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,2,0,0,0,0|2,0,0]=4 10607 B11R0.148 CNCCOCCOCC(=O)N 34a_100000228057_100000187820 [0,2,0,0,0,0|2,0,0]=4 10608 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,2,0,0,0,0|1,0,0]=3 10609 B11R0.148 CNCCOCCOCC(=O)[O-] 34a_100000228057_100020667443 [0,2,0,0,0,0|1,0,1]=4 10610 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,2,0,0,0,0|1,0,0]=3 10611 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,2,0,0,0,0|1,0,0]=3 10612 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,2,0,0,0,0|0,0,1]=3 10613 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,2,0,0,0,0|1,0,1]=4 10614 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,2,0,0,0,0|1,0,1]=4 10615 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,2,0,0,0,0|1,0,1]=4 10616 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,2,0,0,0,0|1,0,1]=4 10617 B11R0.148 COCCCCCNC[N+](=O)[O-] 34a_100000747528_100000761209 [0,2,0,0,0,0|1,0,1]=4 10618 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,2,0,0,0,0|1,0,1]=4 10619 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,2,0,0,0,0|1,0,0]=3 10620 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,2,0,0,0,0|1,0,0]=3 10621 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,2,0,0,0,0|1,0,0]=3 10622 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,2,0,0,0,0|1,0,0]=3 10623 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,2,0,0,0,0|1,0,0]=3 10624 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,2,0,0,0,0|1,0,0]=3 10625 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,2,0,0,0,0|1,0,1]=4 10626 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,2,0,0,0,0|2,0,0]=4 10627 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,2,0,0,0,0|1,0,0]=3 10628 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,2,0,0,0,0|1,0,0]=3 10629 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,2,0,0,0,0|1,0,0]=3 10630 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,2,0,0,0,0|1,0,0]=3 10631 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,2,0,0,0,0|1,0,1]=4 10632 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,2,0,0,0,0|1,0,1]=4 10633 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,2,0,0,0,0|2,0,0]=4 10634 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,2,0,0,0,0|2,0,0]=4 10635 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,2,0,0,0,0|1,0,0]=3 10636 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,2,0,0,0,0|1,0,0]=3 10637 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,2,0,0,0,0|1,0,0]=3 10638 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,2,0,0,0,0|1,0,1]=4 10639 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,2,0,0,0,0|2,0,0]=4 10640 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,2,0,0,0,0|2,0,0]=4 10641 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,2,0,0,0,0|2,0,0]=4 10642 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,2,0,0,0,0|2,0,0]=4 10643 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,2,0,0,0,0|2,0,0]=4 10644 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,2,0,0,0,0|1,0,0]=3 10645 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,2,0,0,0,0|1,0,0]=3 10646 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,2,0,0,0,0|1,0,0]=3 10647 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,2,0,0,0,0|1,0,0]=3 10648 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,2,0,0,0,0|1,0,1]=4 10649 B11R0.148 COCCCOCCC[N+](=O)[O-] 34a_200000037920_100000740836 [0,2,0,0,0,0|1,0,1]=4 10650 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,2,0,0,0,0|2,0,0]=4 10651 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,2,0,0,0,0|2,0,0]=4 10652 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,2,0,0,0,0|2,0,0]=4 10653 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,2,0,0,0,0|2,0,0]=4 10654 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,2,0,0,0,0|2,0,0]=4 10655 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,2,0,0,0,0|1,0,0]=3 10656 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,2,0,0,0,0|1,0,0]=3 10657 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,2,0,0,0,0|1,0,0]=3 10658 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,2,0,0,0,0|1,0,0]=3 10659 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,2,0,0,0,0|1,0,1]=4 10660 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,2,0,0,0,0|1,0,1]=4 10661 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,2,0,0,0,0|2,0,0]=4 10662 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,2,0,0,0,0|2,0,0]=4 10663 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,2,0,0,0,0|2,0,0]=4 10664 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,2,0,0,0,0|2,0,0]=4 10665 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,2,0,0,0,0|2,0,0]=4 10666 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,2,0,0,0,0|2,0,0]=4 10667 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,2,0,0,0,0|2,0,0]=4 10668 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,2,0,0,0,0|2,0,0]=4 10669 B11R0.148 COCCNCCCCB(O)O 2230a_100000209980_200009817182 [0,2,0,0,0,0|1,0,1]=4 10670 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,2,0,0,0,0|1,0,0]=3 10671 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,2,0,0,0,0|2,0,0]=4 10672 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,2,0,0,0,0|2,0,0]=4 10673 B11R0.148 COCCNCCOCC(=O)N 2230a_100000209980_100000076697 [0,2,0,0,0,0|2,0,0]=4 10674 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,2,0,0,0,0|1,0,0]=3 10675 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [0,2,0,0,0,0|1,0,1]=4 10676 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,2,0,0,0,0|1,0,0]=3 10677 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,2,0,0,0,0|1,0,0]=3 10678 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,2,0,0,0,0|1,0,0]=3 10679 B11R0.148 COCCOCCCC[N+](=O)[O-] 34a_200015379883_100011201679 [0,2,0,0,0,0|1,0,1]=4 10680 B11R0.148 COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000233755 [0,2,0,0,0,0|1,0,1]=4 10681 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,2,0,0,0,0|2,0,0]=4 10682 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,2,0,0,0,0|2,0,0]=4 10683 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,2,0,0,0,0|2,0,0]=4 10684 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,2,0,0,0,0|2,0,0]=4 10685 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,2,0,0,0,0|2,0,0]=4 10686 B11R0.148 COCCOCCNCC(=O)N 2230a_100000711301_100000695917 [0,2,0,0,0,0|2,0,0]=4 10687 B11R0.148 COCCOCCNCC(=O)N 2230a_100000745349_100000747473 [0,2,0,0,0,0|2,0,0]=4 10688 B11R0.148 COCCOCCNCC(=O)N 34a_100000745349_100000187820 [0,2,0,0,0,0|2,0,0]=4 10689 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,2,0,0,0,0|1,0,0]=3 10690 B11R0.148 COCCOCCNCC(=O)[O-] 34a_100000745349_100020667443 [0,2,0,0,0,0|1,0,1]=4 10691 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,2,0,0,0,0|2,0,0]=4 10692 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,2,0,0,0,0|2,0,0]=4 10693 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [0,2,0,0,0,0|2,0,0]=4 10694 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [0,2,0,0,0,0|2,0,0]=4 10695 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [0,2,0,0,0,0|2,0,0]=4 10696 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,2,0,0,0,0|2,0,0]=4 10697 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [0,2,0,0,0,0|1,0,1]=4 10698 B11R0.148 COCCOCCSCC(=O)N 62a_100000695917_100000747473 [0,2,0,0,0,0|2,0,0]=4 10699 B11R0.148 COCCOCCSCC(=O)N 62a_100000747473_100000695917 [0,2,0,0,0,0|2,0,0]=4 10700 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100000695917_100020667443 [0,2,0,0,0,0|1,0,1]=4 10701 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100020667443_100000695917 [0,2,0,0,0,0|1,0,1]=4 10702 B11R0.148 COCCOCNOCC(=O)O 269956a_100000106656_100000231047 [0,2,0,0,0,0|2,0,0]=4 10703 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,2,0,0,0,0|2,0,0]=4 10704 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,2,0,0,0,0|2,0,0]=4 10705 B11R0.148 COCCOCSCCC(=O)N 62a_100000231047_100000744528 [0,2,0,0,0,0|2,0,0]=4 10706 B11R0.148 COCCOCSCCC(=O)N 62a_100000744528_100000231047 [0,2,0,0,0,0|2,0,0]=4 10707 B11R0.148 COCCSCCCCB(O)O 62a_100000233755_200009817182 [0,2,0,0,0,0|1,0,1]=4 10708 B11R0.148 COCCSCCCCB(O)O 62a_200009817182_100000233755 [0,2,0,0,0,0|1,0,1]=4 10709 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,2,0,0,0,0|1,0,0]=3 10710 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,2,0,0,0,0|1,0,0]=3 10711 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,2,0,0,0,0|2,0,0]=4 10712 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,2,0,0,0,0|2,0,0]=4 10713 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,2,0,0,0,0|2,0,0]=4 10714 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,2,0,0,0,0|2,0,0]=4 10715 B11R0.148 COCCSCCOCC(=O)N 62a_100000076697_100000233755 [0,2,0,0,0,0|2,0,0]=4 10716 B11R0.148 COCCSCCOCC(=O)N 62a_100000233755_100000076697 [0,2,0,0,0,0|2,0,0]=4 10717 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,2,0,0,0,0|2,0,0]=4 10718 B11R0.148 COCSCCCCCB(O)O 62a_100000766300_200009817188 [0,2,0,0,0,0|1,0,1]=4 10719 B11R0.148 COCSCCCCCB(O)O 62a_200009817188_100000766300 [0,2,0,0,0,0|1,0,1]=4 10720 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,2,0,0,0,0|1,0,0]=3 10721 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,2,0,0,0,0|1,0,0]=3 10722 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,2,0,0,0,0|2,0,0]=4 10723 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,2,0,0,0,0|2,0,0]=4 10724 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,2,0,0,0,0|2,0,0]=4 10725 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,2,0,0,0,0|2,0,0]=4 10726 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,2,0,0,0,0|2,0,0]=4 10727 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,2,0,0,0,0|2,0,0]=4 10728 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,2,0,0,0,0|1,0,0]=3 10729 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,2,0,0,0,0|1,0,0]=3 10730 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,2,0,0,0,0|1,0,0]=3 10731 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,2,0,0,0,0|1,0,1]=4 10732 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,2,0,0,0,0|1,0,1]=4 10733 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,2,0,0,0,0|2,0,0]=4 10734 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,2,0,0,0,0|1,0,1]=4 10735 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,2,0,0,0,0|2,0,0]=4 10736 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,2,0,0,0,0|2,0,0]=4 10737 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,2,0,0,0,0|1,0,0]=3 10738 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,2,0,0,0,0|1,0,0]=3 10739 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,2,0,0,0,0|1,0,0]=3 10740 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,2,0,0,0,0|1,0,0]=3 10741 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,2,0,0,0,0|1,0,1]=4 10742 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,2,0,0,0,0|1,0,1]=4 10743 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,2,0,0,0,0|2,0,0]=4 10744 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,2,0,0,0,0|2,0,0]=4 10745 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,2,0,0,0,0|2,0,0]=4 10746 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,2,0,0,0,0|2,0,0]=4 10747 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,2,0,0,0,0|2,0,0]=4 10748 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,2,0,0,0,0|2,0,0]=4 10749 B11R0.148 CSCCNCCCCB(O)O 2230a_100020590264_200009817182 [0,2,0,0,0,0|1,0,1]=4 10750 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,2,0,0,0,0|1,0,0]=3 10751 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,2,0,0,0,0|2,0,0]=4 10752 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,2,0,0,0,0|2,0,0]=4 10753 B11R0.148 CSCCNCCOCC(=O)N 2230a_100020590264_100000076697 [0,2,0,0,0,0|2,0,0]=4 10754 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,2,0,0,0,0|1,0,0]=3 10755 B11R0.148 CSCCOCCCCB(O)O 34a_100000230434_200009817182 [0,2,0,0,0,0|1,0,1]=4 10756 B11R0.148 CSCCOCCCCB(O)O 7a_100000230434_200009817182 [0,2,0,0,0,0|1,0,1]=4 10757 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,2,0,0,0,0|1,0,0]=3 10758 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,2,0,0,0,0|1,0,0]=3 10759 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,2,0,0,0,0|1,0,0]=3 10760 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,2,0,0,0,0|1,0,0]=3 10761 B11R0.148 CSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000212216 [0,2,0,0,0,0|1,0,1]=4 10762 B11R0.148 CSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000212216 [0,2,0,0,0,0|1,0,1]=4 10763 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,2,0,0,0,0|2,0,0]=4 10764 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,2,0,0,0,0|2,0,0]=4 10765 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,2,0,0,0,0|2,0,0]=4 10766 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,2,0,0,0,0|2,0,0]=4 10767 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,2,0,0,0,0|2,0,0]=4 10768 B11R0.148 CSCCOCCOCC(=O)N 34a_100000230434_100000076697 [0,2,0,0,0,0|2,0,0]=4 10769 B11R0.148 CSCCOCCOCC(=O)N 7a_100000230434_100000076697 [0,2,0,0,0,0|2,0,0]=4 10770 B11R0.148 CSCCSCCCCB(O)O 62a_100000212216_200009817182 [0,2,0,0,0,0|1,0,1]=4 10771 B11R0.148 CSCCSCCCCB(O)O 62a_200009817182_100000751147 [0,2,0,0,0,0|1,0,1]=4 10772 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,2,0,0,0,0|1,0,0]=3 10773 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,2,0,0,0,0|1,0,0]=3 10774 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,2,0,0,0,0|2,0,0]=4 10775 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,2,0,0,0,0|2,0,0]=4 10776 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,2,0,0,0,0|2,0,0]=4 10777 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,2,0,0,0,0|2,0,0]=4 10778 B11R0.148 CSCCSCCOCC(=O)N 62a_100000076697_100000751147 [0,2,0,0,0,0|2,0,0]=4 10779 B11R0.148 CSCCSCCOCC(=O)N 62a_100000212216_100000076697 [0,2,0,0,0,0|2,0,0]=4 10780 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,2,0,0,0,0|2,0,0]=4 10781 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,2,0,0,0,0|2,0,0]=4 10782 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,2,0,0,0,0|1,0,0]=3 10783 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,2,0,0,0,0|2,0,0]=4 10784 B11R0.148 CSCSCCCCCB(O)O 62a_100011218213_200009817188 [0,2,0,0,0,0|1,0,1]=4 10785 B11R0.148 CSCSCCCCCB(O)O 62a_200009817188_100011218213 [0,2,0,0,0,0|1,0,1]=4 10786 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,2,0,0,0,0|1,0,0]=3 10787 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,2,0,0,0,0|1,0,0]=3 10788 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,2,0,0,0,0|2,0,0]=4 10789 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,2,0,0,0,0|2,0,0]=4 10790 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,2,0,0,0,0|2,0,0]=4 10791 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,2,0,0,0,0|2,0,0]=4 10792 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,2,0,0,0,0|1,0,1]=4 10793 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,2,0,0,0,0|1,0,1]=4 10794 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,2,0,0,0,0|1,0,1]=4 10795 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,2,0,0,0,0|1,0,1]=4 10796 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,2,0,0,0,0|1,0,1]=4 10797 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,2,0,0,0,0|1,0,1]=4 10798 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,2,0,0,0,0|1,0,1]=4 10799 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,2,0,0,0,0|1,0,1]=4 10800 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,2,0,0,0,0|1,0,1]=4 10801 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,2,0,0,0,0|1,0,1]=4 10802 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,2,0,0,0,0|1,0,1]=4 10803 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,2,0,0,0,0|1,0,1]=4 10804 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,2,0,0,0,0|1,0,1]=4 10805 B11R0.148 N#CCCCCCNCC(=O)N 2230a_100000711301_100009813376 [0,2,0,0,0,0|1,0,1]=4 10806 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,2,0,0,0,0|0,0,1]=3 10807 B11R0.148 N#CCCCCCSCC(=O)N 62a_100000747473_100009813376 [0,2,0,0,0,0|1,0,1]=4 10808 B11R0.148 N#CCCCCCSCC(=O)N 62a_100009813376_100000747473 [0,2,0,0,0,0|1,0,1]=4 10809 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100009813376_100020667443 [0,2,0,0,0,0|0,0,2]=4 10810 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100020667443_100009813376 [0,2,0,0,0,0|0,0,2]=4 10811 B11R0.148 N#CCCCCNOCC(=O)O 269956a_100000106656_100011219923 [0,2,0,0,0,0|1,0,1]=4 10812 B11R0.148 N#CCCCCOCCC(=O)N 7a_100000757172_100000211819 [0,2,0,0,0,0|1,0,1]=4 10813 B11R0.148 N#CCCCCSCCC(=O)N 62a_100000744528_100000211819 [0,2,0,0,0,0|1,0,1]=4 10814 B11R0.148 N#CCCCCSCCC(=O)N 62a_100011219923_100000744528 [0,2,0,0,0,0|1,0,1]=4 10815 B11R0.148 N#CCCCSCCCC(=O)N 62a_100000687738_100102525003 [0,2,0,0,0,0|1,0,1]=4 10816 B11R0.148 N#CCCCSCCCC(=O)N 62a_100102525003_100000687738 [0,2,0,0,0,0|1,0,1]=4 10817 B11R0.148 N#CCCNCCOCC(=O)O 269956a_100000700818_100011215226 [0,2,0,0,0,0|1,0,1]=4 10818 B11R0.148 N#CCCOCCCCC(=O)N 7a_100012022536_100000184422 [0,2,0,0,0,0|1,0,1]=4 10819 B11R0.148 N#CCOCCCCCC(=O)N 7a_100000123541_100011215382 [0,2,0,0,0,0|1,0,1]=4 10820 B11R0.148 N#CCOCCCCCC(=O)[O-] 7a_100102619762_100011215382 [0,2,0,0,0,0|0,0,2]=4 10821 B11R0.148 N#CCSCCCCCC(=O)N 62a_100009817443_100011215382 [0,2,0,0,0,0|1,0,1]=4 10822 B11R0.148 N#CCSCCCCCC(=O)N 62a_100011215382_100009817443 [0,2,0,0,0,0|1,0,1]=4 10823 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,2,0,0,0,0|1,0,0]=3 10824 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,2,0,0,0,0|1,0,0]=3 10825 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,2,0,0,0,0|1,0,0]=3 10826 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [0,2,0,0,0,0|1,0,1]=4 10827 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [0,2,0,0,0,0|1,0,1]=4 10828 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,2,0,0,0,0|1,0,0]=3 10829 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,2,0,0,0,0|1,0,0]=3 10830 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,2,0,0,0,0|1,0,0]=3 10831 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,2,0,0,0,0|1,0,0]=3 10832 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,2,0,0,0,0|1,0,0]=3 10833 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [0,2,0,0,0,0|1,0,1]=4 10834 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [0,2,0,0,0,0|1,0,1]=4 10835 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,2,0,0,0,0|1,0,0]=3 10836 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,2,0,0,0,0|1,0,0]=3 10837 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,2,0,0,0,0|1,0,0]=3 10838 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,2,0,0,0,0|1,0,0]=3 10839 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,2,0,0,0,0|1,0,0]=3 10840 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,2,0,0,0,0|1,0,0]=3 10841 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,2,0,0,0,0|1,0,0]=3 10842 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,2,0,0,0,0|1,0,0]=3 10843 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,2,0,0,0,0|1,0,0]=3 10844 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,2,0,0,0,0|1,0,0]=3 10845 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,2,0,0,0,0|1,0,0]=3 10846 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,2,0,0,0,0|1,0,0]=3 10847 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,2,0,0,0,0|1,0,0]=3 10848 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,2,0,0,0,0|1,0,0]=3 10849 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,2,0,0,0,0|1,0,0]=3 10850 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,2,0,0,0,0|1,0,0]=3 10851 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,2,0,0,0,0|1,0,0]=3 10852 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,2,0,0,0,0|1,0,0]=3 10853 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,2,0,0,0,0|1,0,0]=3 10854 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [0,2,0,0,0,0|1,0,1]=4 10855 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [0,2,0,0,0,0|1,0,1]=4 10856 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,2,0,0,0,0|1,0,0]=3 10857 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,2,0,0,0,0|1,0,0]=3 10858 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,2,0,0,0,0|1,0,0]=3 10859 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,2,0,0,0,0|1,0,0]=3 10860 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,2,0,0,0,0|1,0,0]=3 10861 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,2,0,0,0,0|1,0,0]=3 10862 B11R0.148 NC(=O)CCNCCOCCO 2230a_100000211614_100000744528 [0,2,0,0,0,0|2,0,0]=4 10863 B11R0.148 NC(=O)CCNCCOCCO 34a_100000211614_100000731001 [0,2,0,0,0,0|2,0,0]=4 10864 B11R0.148 NC(=O)CCNCCSCCO 2230a_100011219999_100000744528 [0,2,0,0,0,0|2,0,0]=4 10865 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [0,2,0,0,0,0|1,0,1]=4 10866 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,2,0,0,0,0|1,0,0]=3 10867 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,2,0,0,0,0|1,0,0]=3 10868 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,2,0,0,0,0|1,0,0]=3 10869 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,2,0,0,0,0|1,0,0]=3 10870 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,2,0,0,0,0|1,0,0]=3 10871 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,2,0,0,0,0|1,0,0]=3 10872 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,2,0,0,0,0|1,0,0]=3 10873 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,2,0,0,0,0|1,0,0]=3 10874 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,2,0,0,0,0|1,0,0]=3 10875 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,2,0,0,0,0|1,0,0]=3 10876 B11R0.148 NC(=O)CCOCCOCCBr 34a_100000692535_100000731001 [0,2,0,0,0,0|2,0,0]=4 10877 B11R0.148 NC(=O)CCOCCOCCBr 7a_100000692535_100000744528 [0,2,0,0,0,0|2,0,0]=4 10878 B11R0.148 NC(=O)CCOCCOCCCl 34a_100011215305_100000731001 [0,2,0,0,0,0|2,0,0]=4 10879 B11R0.148 NC(=O)CCOCCOCCCl 7a_100011215305_100000744528 [0,2,0,0,0,0|2,0,0]=4 10880 B11R0.148 NC(=O)CCOCCOCCF 34a_200015357709_100000731001 [0,2,0,0,0,0|2,0,0]=4 10881 B11R0.148 NC(=O)CCOCCOCCF 7a_200015357709_100000744528 [0,2,0,0,0,0|2,0,0]=4 10882 B11R0.148 NC(=O)CCOCCOCCI 34a_100012149058_100000731001 [0,2,0,0,0,0|2,0,0]=4 10883 B11R0.148 NC(=O)CCOCCOCCI 7a_100012149058_100000744528 [0,2,0,0,0,0|2,0,0]=4 10884 B11R0.148 NC(=O)CCOCCOCCO 34a_100000757172_100000692535 [0,2,0,0,0,0|2,0,0]=4 10885 B11R0.148 NC(=O)CCOCCOCCO 7a_100000757172_100011215305 [0,2,0,0,0,0|2,0,0]=4 10886 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [0,2,0,0,0,0|1,0,1]=4 10887 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [0,2,0,0,0,0|1,0,1]=4 10888 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,2,0,0,0,0|1,0,0]=3 10889 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,2,0,0,0,0|1,0,0]=3 10890 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,2,0,0,0,0|1,0,0]=3 10891 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,2,0,0,0,0|1,0,0]=3 10892 B11R0.148 NC(=O)CCSCCOCCO 62a_100000744528_100011215305 [0,2,0,0,0,0|2,0,0]=4 10893 B11R0.148 NC(=O)CCSCCOCCO 62a_100011215305_100000744528 [0,2,0,0,0,0|2,0,0]=4 10894 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,2,0,0,0,0|1,0,1]=4 10895 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,2,0,0,0,0|1,0,0]=3 10896 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,2,0,0,0,0|1,0,0]=3 10897 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,2,0,0,0,0|1,0,0]=3 10898 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,2,0,0,0,0|1,0,0]=3 10899 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,2,0,0,0,0|1,0,0]=3 10900 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,2,0,0,0,0|1,0,0]=3 10901 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,2,0,0,0,0|1,0,0]=3 10902 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,2,0,0,0,0|1,0,0]=3 10903 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,2,0,0,0,0|1,0,0]=3 10904 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,2,0,0,0,0|1,0,0]=3 10905 B11R0.148 NC(=O)COCCNCCCF 2230a_100015189416_100000076697 [0,2,0,0,0,0|2,0,0]=4 10906 B11R0.148 NC(=O)COCCNCCCF 34a_100015189416_100000076697 [0,2,0,0,0,0|2,0,0]=4 10907 B11R0.148 NC(=O)COCCOCCCBr 34a_100011217188_100000076697 [0,2,0,0,0,0|2,0,0]=4 10908 B11R0.148 NC(=O)COCCOCCCCl 34a_100000230001_100000076697 [0,2,0,0,0,0|2,0,0]=4 10909 B11R0.148 NC(=O)COCCOCCCF 34a_100000759539_100000076697 [0,2,0,0,0,0|2,0,0]=4 10910 B11R0.148 NC(=O)COCCSCCCF 62a_100000076697_100011934791 [0,2,0,0,0,0|2,0,0]=4 10911 B11R0.148 NC(=O)COCCSCCCF 62a_100011934791_100000076697 [0,2,0,0,0,0|2,0,0]=4 10912 B11R0.148 NC(=O)COCCSCCCO 62a_100000076697_100011215043 [0,2,0,0,0,0|2,0,0]=4 10913 B11R0.148 NC(=O)COCCSCCCO 62a_100011215043_100000076697 [0,2,0,0,0,0|2,0,0]=4 10914 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [0,2,0,0,0,0|1,0,1]=4 10915 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [0,2,0,0,0,0|1,0,1]=4 10916 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,2,0,0,0,0|1,0,0]=3 10917 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,2,0,0,0,0|1,0,0]=3 10918 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,2,0,0,0,0|1,0,0]=3 10919 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,2,0,0,0,0|1,0,0]=3 10920 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,2,0,0,0,0|2,0,0]=4 10921 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,2,0,0,0,0|2,0,0]=4 10922 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,2,0,0,0,0|2,0,0]=4 10923 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,2,0,0,0,0|2,0,0]=4 10924 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,2,0,0,0,0|2,0,0]=4 10925 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,2,0,0,0,0|2,0,0]=4 10926 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,2,0,0,0,0|2,0,0]=4 10927 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,2,0,0,0,0|2,0,0]=4 10928 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,2,0,0,0,0|2,0,0]=4 10929 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,2,0,0,0,0|2,0,0]=4 10930 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,2,0,0,0,0|2,0,0]=4 10931 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,2,0,0,0,0|2,0,0]=4 10932 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,2,0,0,0,0|2,0,0]=4 10933 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 10934 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 10935 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,2,0,0,0,0|2,0,0]=4 10936 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,2,0,0,0,0|2,0,0]=4 10937 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,2,0,0,0,0|2,0,0]=4 10938 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,2,0,0,0,0|2,0,0]=4 10939 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,2,0,0,0,0|2,0,0]=4 10940 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,2,0,0,0,0|2,0,0]=4 10941 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,2,0,0,0,0|2,0,0]=4 10942 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,2,0,0,0,0|2,0,0]=4 10943 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,2,0,0,0,0|2,0,0]=4 10944 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,2,0,0,0,0|1,0,0]=3 10945 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,2,0,0,0,0|0,0,1]=3 10946 B11R0.148 NCCCCCCOC[N+](=O)[O-] 34a_100000686447_100000761209 [0,2,0,0,0,0|1,0,1]=4 10947 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,2,0,0,0,0|1,0,0]=3 10948 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,2,0,0,0,0|1,0,0]=3 10949 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,2,0,0,0,0|2,0,0]=4 10950 B11R0.148 NCCCOCCCCB(O)O 34a_100000182051_200009817182 [0,2,0,0,0,0|1,0,1]=4 10951 B11R0.148 NCCCOCCOCC(=O)N 34a_100000182051_100000076697 [0,2,0,0,0,0|2,0,0]=4 10952 B11R0.148 NCCOCCCCCB(O)O 34a_100000210304_200009817188 [0,2,0,0,0,0|1,0,1]=4 10953 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,2,0,0,0,0|1,0,0]=3 10954 B11R0.148 NCCOCCOCCC(=O)N 34a_100000211614_100000731001 [0,2,0,0,0,0|2,0,0]=4 10955 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,2,0,0,0,0|0,0,0]=2 10956 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,2,0,0,0,0|0,0,0]=2 10957 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,2,0,0,0,0|1,0,0]=3 10958 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,2,0,0,0,0|1,0,0]=3 10959 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,2,0,0,0,0|1,0,0]=3 10960 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,2,0,0,0,0|1,0,0]=3 10961 B11R0.148 O=C(O)CONCCOCCO 269956a_100000106656_100011215305 [0,2,0,0,0,0|2,0,0]=4 10962 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,2,0,0,0,0|0,0,1]=3 10963 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,2,0,0,0,0|0,0,1]=3 10964 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,2,0,0,0,0|0,0,1]=3 10965 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,2,0,0,0,0|0,0,1]=3 10966 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,2,0,0,0,0|0,0,1]=3 10967 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,2,0,0,0,0|0,0,1]=3 10968 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,2,0,0,0,0|0,0,1]=3 10969 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,2,0,0,0,0|0,0,1]=3 10970 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,2,0,0,0,0|0,0,1]=3 10971 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,2,0,0,0,0|0,0,1]=3 10972 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,2,0,0,0,0|0,0,1]=3 10973 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [0,2,0,0,0,0|0,0,2]=4 10974 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [0,2,0,0,0,0|0,0,2]=4 10975 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [0,2,0,0,0,0|1,0,1]=4 10976 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [0,2,0,0,0,0|0,0,2]=4 10977 B11R0.148 O=[N+]([O-])CCCCOCCCF 34a_200015379883_100011934791 [0,2,0,0,0,0|1,0,1]=4 10978 B11R0.148 O=[N+]([O-])CCCCOCCCF 7a_200015379883_100011934791 [0,2,0,0,0,0|1,0,1]=4 10979 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,2,0,0,0,0|1,0,1]=4 10980 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,2,0,0,0,0|1,0,1]=4 10981 B11R0.148 O=[N+]([O-])CCCOCCCCF 34a_200000037920_100000729493 [0,2,0,0,0,0|1,0,1]=4 10982 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,2,0,0,0,0|1,0,1]=4 10983 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,2,0,0,0,0|1,0,1]=4 10984 B11R0.148 O=[N+]([O-])COCCCCCCBr 34a_100011215345_100000761209 [0,2,0,0,0,0|1,0,1]=4 10985 B11R0.148 O=[N+]([O-])COCCCCCCCl 34a_100000766143_100000761209 [0,2,0,0,0,0|1,0,1]=4 10986 B11R0.148 O=[N+]([O-])COCCCCCCF 34a_100000732779_100000761209 [0,2,0,0,0,0|1,0,1]=4 10987 B11R0.148 O=[N+]([O-])CSCCCCCCF 62a_100015922095_100000761209 [0,2,0,0,0,0|1,0,1]=4 10988 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,2,0,0,0,0|1,0,1]=4 10989 B11R0.148 OB(O)CCCCCCSCF 62a_100009817187_100015361967 [0,2,0,0,0,0|1,0,1]=4 10990 B11R0.148 OB(O)CCCCCCSCF 62a_100015361967_100009817187 [0,2,0,0,0,0|1,0,1]=4 10991 B11R0.148 OB(O)CCCCCNCCF 34a_100000724931_200009817188 [0,2,0,0,0,0|1,0,1]=4 10992 B11R0.148 OB(O)CCCCCOCCBr 34a_100000211926_200009817188 [0,2,0,0,0,0|1,0,1]=4 10993 B11R0.148 OB(O)CCCCCSCCF 62a_100011217306_200009817188 [0,2,0,0,0,0|1,0,1]=4 10994 B11R0.148 OB(O)CCCCCSCCF 62a_200009817188_100011217306 [0,2,0,0,0,0|1,0,1]=4 10995 B11R0.148 OB(O)CCCCNCCCF 2230a_100015189416_200009817182 [0,2,0,0,0,0|1,0,1]=4 10996 B11R0.148 OB(O)CCCCNCCCF 34a_100015189416_200009817182 [0,2,0,0,0,0|1,0,1]=4 10997 B11R0.148 OB(O)CCCCOCCCBr 34a_100011217188_200009817182 [0,2,0,0,0,0|1,0,1]=4 10998 B11R0.148 OB(O)CCCCOCCCCl 34a_100000230001_200009817182 [0,2,0,0,0,0|1,0,1]=4 10999 B11R0.148 OB(O)CCCCOCCCF 34a_100000759539_200009817182 [0,2,0,0,0,0|1,0,1]=4 11000 B11R0.148 OB(O)CCCCSCCCF 62a_100011934791_200009817182 [0,2,0,0,0,0|1,0,1]=4 11001 B11R0.148 OB(O)CCCCSCCCF 62a_200009817182_100011934791 [0,2,0,0,0,0|1,0,1]=4 11002 B11R0.148 OCCCSCCCCB(O)O 62a_100011215043_200009817182 [0,2,0,0,0,0|1,0,1]=4 11003 B11R0.148 OCCCSCCCCB(O)O 62a_200009817182_100011215043 [0,2,0,0,0,0|1,0,1]=4 11004 B11R0.148 OCCNCCCCCB(O)O 2230a_100016997473_200009817188 [0,2,0,0,0,0|1,0,1]=4 11005 B11R0.148 OCCNCCCCCB(O)O 34a_100016990907_200009817188 [0,2,0,0,0,0|1,0,1]=4 11006 B11R0.148 OCCSCCCCCB(O)O 62a_100000211926_200009817188 [0,2,0,0,0,0|1,0,1]=4 11007 B11R0.148 OCCSCCCCCB(O)O 62a_200009817188_100000211926 [0,2,0,0,0,0|1,0,1]=4 11008 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,2,0,0,0,0|2,0,0]=4 11009 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,2,0,0,0,0|1,0,0]=3 11010 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [0,2,0,0,0,0|1,0,1]=4 11011 B11R0.159 CCCCCCNCC(C)(C)O 2230a_100000751335_100000210314 [0,2,0,0,0,0|1,0,1]=4 11012 B11R0.159 CCCCCCOCC(C)(C)O 34a_100000210259_100000764493 [0,2,0,0,0,0|1,0,1]=4 11013 B11R0.159 CCCCCCOCC(C)(C)O 7a_100000210259_100000764493 [0,2,0,0,0,0|1,0,1]=4 11014 B11R0.159 CCCCCCOCS(=O)(=O)[O-] 34a_100000210259_100009817235 [0,2,0,0,0,0|1,0,1]=4 11015 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000210314_100000764493 [0,2,0,0,0,0|1,0,1]=4 11016 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000764493_100000210757 [0,2,0,0,0,0|1,0,1]=4 11017 B11R0.159 CCCCCCSCS(=O)(=O)N 62a_100000210314_100000741382 [0,2,0,0,0,0|1,0,1]=4 11018 B11R0.159 CCCCCCSCS(=O)(=O)N 62a_100000741382_100000210757 [0,2,0,0,0,0|1,0,1]=4 11019 B11R0.159 CCCCCCSCS(=O)(=O)[O-] 62a_100000210314_100009817235 [0,2,0,0,0,0|1,0,1]=4 11020 B11R0.159 CCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210757 [0,2,0,0,0,0|1,0,1]=4 11021 B11R0.159 CCCCCNCCC(C)(C)O 2230a_100000209983_100000702414 [0,2,0,0,0,0|1,0,1]=4 11022 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [0,2,0,0,0,0|1,0,1]=4 11023 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [0,2,0,0,0,0|1,0,1]=4 11024 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [0,2,0,0,0,0|1,0,1]=4 11025 B11R0.159 CCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210326 [0,2,0,0,0,0|1,0,1]=4 11026 B11R0.159 CCCCCNCCS(=O)(=O)N 34a_100000738205_100000718602 [0,2,0,0,0,0|1,0,1]=4 11027 B11R0.159 CCCCCNCCS(=O)(=O)[O-] 2230a_100000209983_100000737633 [0,2,0,0,0,0|1,0,1]=4 11028 B11R0.159 CCCCCOCCC(C)(C)O 34a_100000210253_100000702414 [0,2,0,0,0,0|1,0,1]=4 11029 B11R0.159 CCCCCOCCC(C)(C)O 7a_100000210253_100000702414 [0,2,0,0,0,0|1,0,1]=4 11030 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [0,2,0,0,0,0|1,0,1]=4 11031 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [0,2,0,0,0,0|1,0,1]=4 11032 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [0,2,0,0,0,0|1,0,1]=4 11033 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [0,2,0,0,0,0|1,0,1]=4 11034 B11R0.159 CCCCCOCCS(=O)(=O)N 34a_100012334274_100000718602 [0,2,0,0,0,0|1,0,1]=4 11035 B11R0.159 CCCCCOCCS(=O)(=O)[O-] 34a_100000210253_100000762736 [0,2,0,0,0,0|1,0,1]=4 11036 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000210326_100000702414 [0,2,0,0,0,0|1,0,1]=4 11037 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000702414_100000210326 [0,2,0,0,0,0|1,0,1]=4 11038 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [0,2,0,0,0,0|1,0,1]=4 11039 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [0,2,0,0,0,0|1,0,1]=4 11040 B11R0.159 CCCCCSCCS(=O)(=O)[O-] 62a_100000210326_100000762736 [0,2,0,0,0,0|1,0,1]=4 11041 B11R0.159 CCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210326 [0,2,0,0,0,0|1,0,1]=4 11042 B11R0.159 CCCCNCCCC(C)(C)O 2230a_100000102301_100009888830 [0,2,0,0,0,0|1,0,1]=4 11043 B11R0.159 CCCCNCCCC(C)(C)O 7a_106832991798_100009888830 [0,2,0,0,0,0|1,0,1]=4 11044 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [0,2,0,0,0,0|1,0,1]=4 11045 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [0,2,0,0,0,0|1,0,1]=4 11046 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [0,2,0,0,0,0|1,0,1]=4 11047 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [0,2,0,0,0,0|1,0,1]=4 11048 B11R0.159 CCCCNCCCS(=O)(=O)N 2230a_100000102301_100000750626 [0,2,0,0,0,0|1,0,1]=4 11049 B11R0.159 CCCCNCCCS(=O)(=O)N 7a_106832991798_100000750626 [0,2,0,0,0,0|1,0,1]=4 11050 B11R0.159 CCCCOCCCC(C)(C)O 34a_100000210227_100009888830 [0,2,0,0,0,0|1,0,1]=4 11051 B11R0.159 CCCCOCCCC(C)(C)O 7a_100000210227_100009888830 [0,2,0,0,0,0|1,0,1]=4 11052 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [0,2,0,0,0,0|1,0,1]=4 11053 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [0,2,0,0,0,0|1,0,1]=4 11054 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [0,2,0,0,0,0|1,0,1]=4 11055 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [0,2,0,0,0,0|1,0,1]=4 11056 B11R0.159 CCCCOCCCS(=O)(=O)N 34a_100000210227_100000750626 [0,2,0,0,0,0|1,0,1]=4 11057 B11R0.159 CCCCOCCCS(=O)(=O)N 7a_100000210227_100000750626 [0,2,0,0,0,0|1,0,1]=4 11058 B11R0.159 CCCCOCCCS(=O)(=O)[O-] 34a_100000210227_100009813499 [0,2,0,0,0,0|1,0,1]=4 11059 B11R0.159 CCCCSCCCC(C)(C)O 62a_100000210211_100009888830 [0,2,0,0,0,0|1,0,1]=4 11060 B11R0.159 CCCCSCCCC(C)(C)O 62a_100009888830_100000210210 [0,2,0,0,0,0|1,0,1]=4 11061 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [0,2,0,0,0,0|1,0,1]=4 11062 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [0,2,0,0,0,0|1,0,1]=4 11063 B11R0.159 CCCCSCCCS(=O)(=O)N 62a_100000210211_100000750626 [0,2,0,0,0,0|1,0,1]=4 11064 B11R0.159 CCCCSCCCS(=O)(=O)N 62a_100000750626_100000210210 [0,2,0,0,0,0|1,0,1]=4 11065 B11R0.159 CCCCSCCCS(=O)(=O)[O-] 62a_100000210211_100009813499 [0,2,0,0,0,0|1,0,1]=4 11066 B11R0.159 CCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210210 [0,2,0,0,0,0|1,0,1]=4 11067 B11R0.159 CCNCCCCCC(C)(C)O 2230a_100015525214_100010402123 [0,2,0,0,0,0|1,0,1]=4 11068 B11R0.159 CCOCCCCCC(C)(C)O 34a_100121572206_100010402123 [0,2,0,0,0,0|1,0,1]=4 11069 B11R0.159 CCSCCCCCC(C)(C)O 62a_100000210202_100010402123 [0,2,0,0,0,0|1,0,1]=4 11070 B11R0.159 CCSCCCCCC(C)(C)O 62a_100010402123_100000210202 [0,2,0,0,0,0|1,0,1]=4 11071 B11R0.176 C=C(Br)CCOCC(C)CCC 34a_100009813270_100011216630 [0,2,0,0,0,0|2,0,0]=4 11072 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,2,0,0,0,0|2,0,0]=4 11073 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,2,0,0,0,0|2,0,0]=4 11074 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,2,0,0,0,0|2,0,0]=4 11075 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [0,2,0,0,0,0|2,0,0]=4 11076 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,2,0,0,0,0|2,0,0]=4 11077 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,2,0,0,0,0|2,0,0]=4 11078 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,2,0,0,0,0|2,0,0]=4 11079 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,2,0,0,0,0|2,0,0]=4 11080 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [0,2,0,0,0,0|2,0,0]=4 11081 B11R0.176 C=C(F)COCCC(C)CCC 34a_100011217855_100009893438 [0,2,0,0,0,0|2,0,0]=4 11082 B11R0.176 C=C(F)COCCC(C)CCC 7a_100011217855_100000042424 [0,2,0,0,0,0|2,0,0]=4 11083 B11R0.176 C=C(F)COCC[C@@H](N)CCC 34a_100015193777_100009893438 [0,2,0,0,0,0|2,0,0]=4 11084 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|1,0,1]=4 11085 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,2,0,0,0,0|2,0,0]=4 11086 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,2,0,0,0,0|2,0,0]=4 11087 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,2,0,0,0,0|2,0,0]=4 11088 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,2,0,0,0,0|2,0,0]=4 11089 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,2,0,0,0,0|2,0,0]=4 11090 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,2,0,0,0,0|2,0,0]=4 11091 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,2,0,0,0,0|2,0,0]=4 11092 B11R0.176 CC(CCBr)OCCCC(=O)N 34a_100012276601_100102525003 [0,2,0,0,0,0|2,0,0]=4 11093 B11R0.176 CC(CCN)COCCC(=O)N 34a_106354213184_100000731001 [0,2,0,0,0,0|2,0,0]=4 11094 B11R0.176 CC(CCO)NCCCC(=O)N 34a_100000739312_100009893172 [0,2,0,0,0,0|2,0,0]=4 11095 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100009893172_100102525003 [0,2,0,0,0,0|2,0,0]=4 11096 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100102525003_100009893172 [0,2,0,0,0,0|2,0,0]=4 11097 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,2,0,0,0,0|1,0,1]=4 11098 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|1,0,0]=3 11099 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|1,0,1]=4 11100 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|1,0,1]=4 11101 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|1,0,1]=4 11102 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,2,0,0,0,0|1,0,1]=4 11103 B11R0.176 CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210303 [0,2,0,0,0,0|1,0,1]=4 11104 B11R0.176 CCCC(=O)CNOCC(=O)O 269956a_100000106656_100000747444 [0,2,0,0,0,0|1,0,1]=4 11105 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|1,0,1]=4 11106 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,2,0,0,0,0|1,0,1]=4 11107 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,2,0,0,0,0|1,0,1]=4 11108 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,2,0,0,0,0|1,0,1]=4 11109 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000744528_100000747444 [0,2,0,0,0,0|1,0,1]=4 11110 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000747444_100000744528 [0,2,0,0,0,0|1,0,1]=4 11111 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,2,0,0,0,0|1,0,1]=4 11112 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,2,0,0,0,0|1,0,1]=4 11113 B11R0.176 CCCC(=O)OCNCC(=O)O 269956a_100016091260_100000034017 [0,2,0,0,0,0|1,0,1]=4 11114 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,2,0,0,0,0|1,0,0]=3 11115 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,2,0,0,0,0|1,0,0]=3 11116 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,2,0,0,0,0|0,0,1]=3 11117 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,2,0,0,0,0|1,0,1]=4 11118 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,2,0,0,0,0|1,0,1]=4 11119 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,2,0,0,0,0|1,0,1]=4 11120 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,2,0,0,0,0|1,0,1]=4 11121 B11R0.176 CCCC(C)CCOC[N+](=O)[O-] 34a_100011217855_100000761209 [0,2,0,0,0,0|1,0,1]=4 11122 B11R0.176 CCCC(C)CNCCC(C)O 2230a_200000755665_100011216630 [0,2,0,0,0,0|1,0,1]=4 11123 B11R0.176 CCCC(C)CNCCC(C)O 270004a_200000755665_100000243154 [0,2,0,0,0,0|1,0,1]=4 11124 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [0,2,0,0,0,0|1,0,0]=3 11125 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,2,0,0,0,0|1,0,0]=3 11126 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,2,0,0,0,0|1,0,0]=3 11127 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,2,0,0,0,0|1,0,0]=3 11128 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,2,0,0,0,0|1,0,0]=3 11129 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,2,0,0,0,0|1,0,0]=3 11130 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,2,0,0,0,0|1,0,0]=3 11131 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,2,0,0,0,0|1,0,0]=3 11132 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [0,2,0,0,0,0|1,0,1]=4 11133 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [0,2,0,0,0,0|1,0,1]=4 11134 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,2,0,0,0,0|2,0,0]=4 11135 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,2,0,0,0,0|1,0,0]=3 11136 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,2,0,0,0,0|1,0,0]=3 11137 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,2,0,0,0,0|1,0,0]=3 11138 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,2,0,0,0,0|1,0,0]=3 11139 B11R0.176 CCCC(C)CSCCC(C)O 62a_100011216630_100012276601 [0,2,0,0,0,0|1,0,1]=4 11140 B11R0.176 CCCC(C)CSCCC(C)O 62a_100012276601_100011216630 [0,2,0,0,0,0|1,0,1]=4 11141 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,2,0,0,0,0|2,0,0]=4 11142 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,2,0,0,0,0|2,0,0]=4 11143 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,2,0,0,0,0|1,0,0]=3 11144 B11R0.176 CCCC(C)NCCCC(C)O 2230a_100000741246_200000718107 [0,2,0,0,0,0|1,0,1]=4 11145 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [0,2,0,0,0,0|2,0,0]=4 11146 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [0,2,0,0,0,0|2,0,0]=4 11147 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [0,2,0,0,0,0|2,0,0]=4 11148 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [0,2,0,0,0,0|2,0,0]=4 11149 B11R0.176 CCCC(C)NCCNC(=O)N 2230a_100000741246_200000034859 [0,2,0,0,0,0|2,0,0]=4 11150 B11R0.176 CCCC(C)NCCNC(=O)N 34a_100020590234_100000766640 [0,2,0,0,0,0|2,0,0]=4 11151 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,2,0,0,0,0|1,0,0]=3 11152 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,2,0,0,0,0|1,0,0]=3 11153 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,2,0,0,0,0|1,0,0]=3 11154 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,2,0,0,0,0|1,0,0]=3 11155 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,2,0,0,0,0|1,0,0]=3 11156 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,2,0,0,0,0|1,0,0]=3 11157 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,2,0,0,0,0|1,0,1]=4 11158 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,2,0,0,0,0|1,0,1]=4 11159 B11R0.176 CCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000766640 [0,2,0,0,0,0|1,0,1]=4 11160 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,2,0,0,0,0|2,0,0]=4 11161 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,2,0,0,0,0|2,0,0]=4 11162 B11R0.176 CCCC(C)OCCNC(=O)N 34a_100000181757_100000766640 [0,2,0,0,0,0|2,0,0]=4 11163 B11R0.176 CCCC(C)OCCNC(=O)N 7a_100000764384_200000034859 [0,2,0,0,0,0|2,0,0]=4 11164 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,2,0,0,0,0|2,0,0]=4 11165 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,2,0,0,0,0|2,0,0]=4 11166 B11R0.176 CCCC(C)OCCOC(=O)N 34a_100000764384_200011214921 [0,2,0,0,0,0|2,0,0]=4 11167 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000764384_200011214921 [0,2,0,0,0,0|2,0,0]=4 11168 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000766696_100000766640 [0,2,0,0,0,0|2,0,0]=4 11169 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,2,0,0,0,0|1,0,0]=3 11170 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,2,0,0,0,0|1,0,0]=3 11171 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,2,0,0,0,0|1,0,0]=3 11172 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,2,0,0,0,0|1,0,0]=3 11173 B11R0.176 CCCC(C)SCCCC(C)O 62a_100000766640_200000718107 [0,2,0,0,0,0|1,0,1]=4 11174 B11R0.176 CCCC(C)SCCCC(C)O 62a_200000718107_100000766640 [0,2,0,0,0,0|1,0,1]=4 11175 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [0,2,0,0,0,0|2,0,0]=4 11176 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [0,2,0,0,0,0|2,0,0]=4 11177 B11R0.176 CCCC(C)SCCNC(=O)N 62a_100000766640_200000034859 [0,2,0,0,0,0|2,0,0]=4 11178 B11R0.176 CCCC(C)SCCNC(=O)N 62a_200000034859_100000766640 [0,2,0,0,0,0|2,0,0]=4 11179 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,2,0,0,0,0|2,0,0]=4 11180 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,2,0,0,0,0|2,0,0]=4 11181 B11R0.176 CCCC(C)SCCOC(=O)N 62a_100000766640_200011214921 [0,2,0,0,0,0|2,0,0]=4 11182 B11R0.176 CCCC(C)SCCOC(=O)N 62a_200011214921_100000766640 [0,2,0,0,0,0|2,0,0]=4 11183 B11R0.176 CCCN(C)CCCCB(O)O 2230a_100000747261_200009817182 [0,2,0,0,0,0|1,0,1]=4 11184 B11R0.176 CCCN(C)CCCCB(O)O 269982a_100000747261_200009817182 [0,2,0,0,0,0|1,0,1]=4 11185 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,2,0,0,0,0|1,0,0]=3 11186 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,2,0,0,0,0|2,0,0]=4 11187 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [0,2,0,0,0,0|2,0,0]=4 11188 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [0,2,0,0,0,0|2,0,0]=4 11189 B11R0.176 CCCN(C)CCOCC(=O)N 2230a_100000747261_100000076697 [0,2,0,0,0,0|2,0,0]=4 11190 B11R0.176 CCCN(C)CCOCC(=O)N 269982a_100000747261_100000076697 [0,2,0,0,0,0|2,0,0]=4 11191 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,2,0,0,0,0|1,0,0]=3 11192 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,2,0,0,0,0|0,0,1]=3 11193 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,2,0,0,0,0|1,0,1]=4 11194 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,2,0,0,0,0|1,0,1]=4 11195 B11R0.176 CCC[C@H](N)CCOC[N+](=O)[O-] 34a_100015193777_100000761209 [0,2,0,0,0,0|1,0,1]=4 11196 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,2,0,0,0,0|1,0,0]=3 11197 B11R0.176 CCC[C@H](N)COCCC(C)O 34a_100000732646_100012276601 [0,2,0,0,0,0|1,0,1]=4 11198 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,2,0,0,0,0|2,0,0]=4 11199 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [0,2,0,0,0,0|1,0,1]=4 11200 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|1,0,1]=4 11201 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|1,0,1]=4 11202 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|1,0,1]=4 11203 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,2,0,0,0,0|1,0,1]=4 11204 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,2,0,0,0,0|1,0,1]=4 11205 B11R0.176 COCC(C)NCCCC(=O)N 34a_100000739312_100000765312 [0,2,0,0,0,0|2,0,0]=4 11206 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [0,2,0,0,0,0|2,0,0]=4 11207 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [0,2,0,0,0,0|2,0,0]=4 11208 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [0,2,0,0,0,0|2,0,0]=4 11209 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [0,2,0,0,0,0|2,0,0]=4 11210 B11R0.176 COCC(C)SCCCC(=O)N 62a_100000765312_100102525003 [0,2,0,0,0,0|2,0,0]=4 11211 B11R0.176 COCC(C)SCCCC(=O)N 62a_100102525003_100000765312 [0,2,0,0,0,0|2,0,0]=4 11212 B11R0.176 COCC(N)COCCC(=O)N 34a_100000724102_100000731001 [0,2,0,0,0,0|2,0,0]=4 11213 B11R0.176 COCC(O)CNCCC(=O)N 2230a_100000756049_100000744528 [0,2,0,0,0,0|2,0,0]=4 11214 B11R0.176 COCC(O)CNCCC(=O)N 34a_100000756049_100000731001 [0,2,0,0,0,0|2,0,0]=4 11215 B11R0.176 COCC(O)CNOCC(=O)O 269956a_100000106656_100011215053 [0,2,0,0,0,0|2,0,0]=4 11216 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [0,2,0,0,0,0|2,0,0]=4 11217 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [0,2,0,0,0,0|2,0,0]=4 11218 B11R0.176 COCC(O)COCCC(=O)N 34a_100000757172_100011215053 [0,2,0,0,0,0|2,0,0]=4 11219 B11R0.176 COCC(O)COCCC(=O)N 7a_100000757172_100011215053 [0,2,0,0,0,0|2,0,0]=4 11220 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [0,2,0,0,0,0|2,0,0]=4 11221 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [0,2,0,0,0,0|2,0,0]=4 11222 B11R0.176 COCC(O)CSCCC(=O)N 62a_100000744528_100011215053 [0,2,0,0,0,0|2,0,0]=4 11223 B11R0.176 COCC(O)CSCCC(=O)N 62a_100011215053_100000744528 [0,2,0,0,0,0|2,0,0]=4 11224 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [0,2,0,0,0,0|2,0,0]=4 11225 B11R0.176 COC[C@@H](C)OCCCC(=O)N 34a_100011934205_100102525003 [0,2,0,0,0,0|2,0,0]=4 11226 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,2,0,0,0,0|1,0,1]=4 11227 B11R0.176 C[C@H](CCO)NCCCC(=O)N 34a_100000706166_100102525003 [0,2,0,0,0,0|2,0,0]=4 11228 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100000725509_100000187820 [0,2,0,0,0,0|1,0,1]=4 11229 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011215066 [0,2,0,0,0,0|1,0,1]=4 11230 B11R0.68 CCCCC(C)C(=O)CC(=O)[O-] 1458a_100000725509_100020667443 [0,2,0,0,0,0|0,0,2]=4 11231 B11R0.68 CCCCC(C)N(C)CC(=O)N 2230a_100000739694_200011215066 [0,2,0,0,0,0|2,0,0]=4 11232 B11R0.68 CCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210087 [0,2,0,0,0,0|2,0,0]=4 11233 B11R0.68 CCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011215066 [0,2,0,0,0,0|1,0,0]=3 11234 B11R0.68 CCCCC(O)C(=O)CC(=O)N 1458a_100000720857_100000187820 [0,2,0,0,0,0|1,0,1]=4 11235 B11R0.68 CCCCC(O)C(=O)CC(=O)[O-] 1458a_100000720857_100020667443 [0,2,0,0,0,0|0,0,2]=4 11236 B11R0.77 CCCCCN(CC)CC(=O)O 269956a_100000746405_100000210326 [0,2,0,0,0,0|1,0,0]=3 11237 B11R0.77 CCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210326 [0,2,0,0,0,0|1,0,1]=4 11238 B11R0.77 CCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210211 [0,2,0,0,0,0|1,0,0]=3 11239 B11R0.77 CCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210211 [0,2,0,0,0,0|1,0,0]=3 11240 B11R0.77 CCN(CCCCF)CC(=O)O 269956a_100000746405_100000729493 [0,2,0,0,0,0|2,0,0]=4 11241 B11R0.77 CCN(CCCCO)CC(=O)O 269956a_100000746405_100000210776 [0,2,0,0,0,0|2,0,0]=4 11242 B11R0.77 CCN(CCCOC)CC(=O)O 269956a_100000746405_100000740836 [0,2,0,0,0,0|2,0,0]=4 11243 B11R0.77 CCOCCN(CC)CC(=O)O 269956a_100000746405_100000210147 [0,2,0,0,0,0|2,0,0]=4 11244 B11R0.77 CCOCN[C@H](CC)CC(=O)O 269956a_100016995926_100000739092 [0,2,0,0,0,0|2,0,0]=4 11245 B11R0.77 CCOCN[C@H](CO)CC(=O)O 269956a_100009816507_100000739092 [0,2,0,0,0,0|2,0,0]=4 11246 B11R0.77 CCSCCN(CC)CC(=O)O 269956a_100000746405_100000757381 [0,2,0,0,0,0|2,0,0]=4 11247 B11R0.77 CC[C@H](CC(=O)O)NCCCF 269956a_100016995926_100011934791 [0,2,0,0,0,0|2,0,0]=4 11248 B11R0.77 CC[C@H](CC(=O)O)NCCCO 269956a_100016995926_100011215043 [0,2,0,0,0,0|2,0,0]=4 11249 B11R0.77 CC[C@H](CC(=O)O)NCCOC 269956a_100016995926_100000233755 [0,2,0,0,0,0|2,0,0]=4 11250 B11R0.77 CC[C@H](CC(=O)O)NCCSC 269956a_100016995926_100000212216 [0,2,0,0,0,0|2,0,0]=4 11251 B11R0.77 COCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000233755 [0,2,0,0,0,0|2,0,0]=4 11252 B11R0.77 CSCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000212216 [0,2,0,0,0,0|2,0,0]=4 11253 B11R0.77 O=C(O)C[C@@H](CO)NCCCF 269956a_100009816507_100011934791 [0,2,0,0,0,0|2,0,0]=4 11254 B11R0.77 O=C(O)C[C@@H](CO)NCCCO 269956a_100009816507_100011215043 [0,2,0,0,0,0|2,0,0]=4 11255 B11R0.107 CCC(C)CCC(=O)CC(=O)N 1458a_100000701222_100000187820 [0,2,0,0,0,0|1,0,1]=4 11256 B11R0.107 CCC(C)CCC(=O)CC(=O)[O-] 1458a_100000701222_100020667443 [0,2,0,0,0,0|0,0,2]=4 11257 B11R0.107 CCC(C)NCC(O)CC(=O)O 269956a_100011218706_100000758301 [0,2,0,0,0,0|1,0,0]=3 11258 B11R0.107 COC(C)NCC(O)CC(=O)O 269956a_100011218706_100009879195 [0,2,0,0,0,0|2,0,0]=4 11259 B11R0.107 C[C@H](CO)NCC(O)CC(=O)O 269956a_100011218706_100016084084 [0,2,0,0,0,0|2,0,0]=4 11260 B11R0.139 CC(C(=O)O)N(C)CCCCF 269956a_100000749554_100000729493 [0,2,0,0,0,0|2,0,0]=4 11261 B11R0.139 CC(C(=O)O)N(C)CCCCO 269956a_100000749554_100000210776 [0,2,0,0,0,0|2,0,0]=4 11262 B11R0.139 CCCCCC(=O)C(C)C(=O)C 1458a_100000212188_100000179758 [0,2,0,0,0,0|1,0,1]=4 11263 B11R0.139 CCCCCC(=O)C(C)C(=O)N 1458a_100000212188_100000702099 [0,2,0,0,0,0|1,0,1]=4 11264 B11R0.139 CCCCCC(=O)C(F)C(=O)N 1458a_100000212188_100009813875 [0,2,0,0,0,0|1,0,1]=4 11265 B11R0.139 CCCCCC(=O)C(F)C(=O)[O-] 1458a_100000212188_100020610796 [0,2,0,0,0,0|0,0,2]=4 11266 B11R0.139 CCCCCN(C)C(C)C(=O)C 2230a_100000223495_100009814033 [0,2,0,0,0,0|2,0,0]=4 11267 B11R0.139 CCCCCN(C)C(C)C(=O)C 269982a_100000223495_100009814033 [0,2,0,0,0,0|2,0,0]=4 11268 B11R0.139 CCCCCN(C)C(C)C(=O)N 2230a_100000223495_100000702099 [0,2,0,0,0,0|2,0,0]=4 11269 B11R0.139 CCCCCN(C)C(C)C(=O)N 269982a_100000223495_100000184083 [0,2,0,0,0,0|2,0,0]=4 11270 B11R0.139 CCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210326 [0,2,0,0,0,0|1,0,0]=3 11271 B11R0.139 CCCCCN(C)C(F)C(=O)N 2230a_100000223495_100009813875 [0,2,0,0,0,0|2,0,0]=4 11272 B11R0.139 CCCCCN(C)C(F)C(=O)N 269982a_100000223495_100009813875 [0,2,0,0,0,0|2,0,0]=4 11273 B11R0.139 CCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210210 [0,2,0,0,0,0|2,0,0]=4 11274 B11R0.139 CCOCCN(C)C(C)C(=O)O 269956a_100000749554_100000210147 [0,2,0,0,0,0|2,0,0]=4 11275 B11R0.139 CCSCCN(C)C(C)C(=O)O 269956a_100000749554_100000757381 [0,2,0,0,0,0|2,0,0]=4 11276 B11R0.139 COCCCN(C)C(C)C(=O)O 269956a_100000749554_100000740836 [0,2,0,0,0,0|2,0,0]=4 11277 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [0,2,0,0,0,0|1,0,1]=4 11278 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,2,0,0,0,0|1,0,1]=4 11279 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,2,0,0,0,0|2,0,0]=4 11280 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,2,0,0,0,0|2,0,0]=4 11281 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,2,0,0,0,0|1,0,1]=4 11282 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,2,0,0,0,0|1,0,1]=4 11283 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,2,0,0,0,0|0,0,1]=3 11284 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,2,0,0,0,0|1,0,1]=4 11285 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,2,0,0,0,0|0,0,1]=3 11286 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,2,0,0,0,0|0,0,1]=3 11287 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,2,0,0,0,0|2,0,0]=4 11288 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,2,0,0,0,0|2,0,0]=4 11289 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,2,0,0,0,0|2,0,0]=4 11290 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,2,0,0,0,0|2,0,0]=4 11291 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,2,0,0,0,0|1,0,0]=3 11292 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,2,0,0,0,0|1,0,0]=3 11293 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,2,0,0,0,0|2,0,0]=4 11294 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,2,0,0,0,0|2,0,0]=4 11295 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,2,0,0,0,0|2,0,0]=4 11296 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,2,0,0,0,0|2,0,0]=4 11297 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,2,0,0,0,0|2,0,0]=4 11298 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,2,0,0,0,0|2,0,0]=4 11299 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,2,0,0,0,0|2,0,0]=4 11300 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,2,0,0,0,0|2,0,0]=4 11301 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,2,0,0,0,0|2,0,0]=4 11302 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,2,0,0,0,0|2,0,0]=4 11303 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,2,0,0,0,0|1,0,0]=3 11304 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,2,0,0,0,0|1,0,0]=3 11305 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,2,0,0,0,0|1,0,0]=3 11306 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [0,2,0,0,0,0|1,0,1]=4 11307 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [0,2,0,0,0,0|1,0,1]=4 11308 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,2,0,0,0,0|1,0,0]=3 11309 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,2,0,0,0,0|1,0,0]=3 11310 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [0,2,0,0,0,0|1,0,1]=4 11311 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,2,0,0,0,0|1,0,0]=3 11312 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,2,0,0,0,0|1,0,0]=3 11313 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,2,0,0,0,0|1,0,0]=3 11314 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,2,0,0,0,0|1,0,0]=3 11315 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [0,2,0,0,0,0|1,0,1]=4 11316 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,2,0,0,0,0|1,0,0]=3 11317 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [0,2,0,0,0,0|1,0,1]=4 11318 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [0,2,0,0,0,0|1,0,1]=4 11319 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [0,2,0,0,0,0|1,0,1]=4 11320 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,2,0,0,0,0|1,0,0]=3 11321 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,2,0,0,0,0|1,0,0]=3 11322 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [0,2,0,0,0,0|1,0,1]=4 11323 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [0,2,0,0,0,0|1,0,1]=4 11324 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [0,2,0,0,0,0|2,0,0]=4 11325 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [0,2,0,0,0,0|2,0,0]=4 11326 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [0,2,0,0,0,0|2,0,0]=4 11327 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [0,2,0,0,0,0|1,0,1]=4 11328 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [0,2,0,0,0,0|1,0,1]=4 11329 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [0,2,0,0,0,0|2,0,0]=4 11330 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [0,2,0,0,0,0|1,0,1]=4 11331 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [0,2,0,0,0,0|1,0,1]=4 11332 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [0,2,0,0,0,0|1,0,1]=4 11333 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [0,2,0,0,0,0|1,0,1]=4 11334 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [0,2,0,0,0,0|2,0,0]=4 11335 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [0,2,0,0,0,0|2,0,0]=4 11336 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [0,2,0,0,0,0|2,0,0]=4 11337 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [0,2,0,0,0,0|2,0,0]=4 11338 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [0,2,0,0,0,0|2,0,0]=4 11339 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [0,2,0,0,0,0|2,0,0]=4 11340 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [0,2,0,0,0,0|2,0,0]=4 11341 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [0,2,0,0,0,0|2,0,0]=4 11342 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [0,2,0,0,0,0|2,0,0]=4 11343 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [0,2,0,0,0,0|2,0,0]=4 11344 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [0,2,0,0,0,0|2,0,0]=4 11345 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [0,2,0,0,0,0|2,0,0]=4 11346 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [0,2,0,0,0,0|2,0,0]=4 11347 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [0,2,0,0,0,0|2,0,0]=4 11348 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [0,2,0,0,0,0|2,0,0]=4 11349 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [0,2,0,0,0,0|2,0,0]=4 11350 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [0,2,0,0,0,0|2,0,0]=4 11351 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [0,2,0,0,0,0|2,0,0]=4 11352 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [0,2,0,0,0,0|2,0,0]=4 11353 B11R0.154 COC(=O)C[C@@H](O)CNCCF 34a_100000724931_100000754131 [0,2,0,0,0,0|2,0,0]=4 11354 B11R0.154 COC(=O)C[C@@H](O)CNCCO 34a_100016990907_100000754131 [0,2,0,0,0,0|2,0,0]=4 11355 B11R0.154 COC(=O)C[C@@H](O)COCCBr 34a_100000211926_100000754131 [0,2,0,0,0,0|2,0,0]=4 11356 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [0,2,0,0,0,0|2,0,0]=4 11357 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100000754131_100011217306 [0,2,0,0,0,0|2,0,0]=4 11358 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100011217306_100000754131 [0,2,0,0,0,0|2,0,0]=4 11359 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [0,2,0,0,0,0|2,0,0]=4 11360 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [0,2,0,0,0,0|2,0,0]=4 11361 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100000754131_100011218213 [0,2,0,0,0,0|2,0,0]=4 11362 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100011218213_100000754131 [0,2,0,0,0,0|2,0,0]=4 11363 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [0,2,0,0,0,0|1,0,1]=4 11364 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [0,2,0,0,0,0|1,0,1]=4 11365 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [0,2,0,0,0,0|2,0,0]=4 11366 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [0,2,0,0,0,0|2,0,0]=4 11367 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [0,2,0,0,0,0|2,0,0]=4 11368 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [0,2,0,0,0,0|2,0,0]=4 11369 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [0,2,0,0,0,0|2,0,0]=4 11370 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [0,2,0,0,0,0|2,0,0]=4 11371 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [0,2,0,0,0,0|2,0,0]=4 11372 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000754131_100000766300 [0,2,0,0,0,0|2,0,0]=4 11373 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000766300_100000754131 [0,2,0,0,0,0|2,0,0]=4 11374 B11R0.324 CC(C)(CC(=O)O)NCCCF 269956a_100000755897_100011934791 [0,2,0,0,0,0|2,0,0]=4 11375 B11R0.324 CC(C)(CC(=O)O)NCCCO 269956a_100000755897_100011215043 [0,2,0,0,0,0|2,0,0]=4 11376 B11R0.324 CCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210211 [0,2,0,0,0,0|2,0,0]=4 11377 B11R0.324 CCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210211 [0,2,0,0,0,0|1,0,0]=3 11378 B11R0.324 CCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210211 [0,2,0,0,0,0|2,0,0]=4 11379 B11R0.324 CCOCNC(C)(C)CC(=O)O 269956a_100000755897_100000739092 [0,2,0,0,0,0|2,0,0]=4 11380 B11R0.324 COCCNC(C)(C)CC(=O)O 269956a_100000755897_100000233755 [0,2,0,0,0,0|2,0,0]=4 11381 B11R0.324 CSCCNC(C)(C)CC(=O)O 269956a_100000755897_100000212216 [0,2,0,0,0,0|2,0,0]=4 11382 B11R0.31 CC(=O)CCCCCC(C)(C)C 1458a_100012017116_200000210301 [0,2,0,0,0,0|1,0,0]=3 11383 B11R0.31 CC(=O)CCCCCC(F)(F)F 1458a_100000070787_100010187589 [0,2,0,0,0,0|2,0,0]=4 11384 B11R0.31 CC(=O)CCCCC[N+](C)(C)C 1458a_100000070787_100009813293 [0,2,0,0,0,0|2,0,0]=4 11385 B11R0.31 CC(=O)CCCCOC(C)(C)C 34a_100015890283_100009817362 [0,2,0,0,0,0|2,0,0]=4 11386 B11R0.31 CC(=O)CCCCOC(C)(C)C 7a_100015890283_100000735457 [0,2,0,0,0,0|2,0,0]=4 11387 B11R0.31 CC(=O)CCCCSC(C)(C)C 62a_100000211941_100000735457 [0,2,0,0,0,0|2,0,0]=4 11388 B11R0.31 CC(=O)CCCCSC(C)(C)C 62a_100000735457_100000211941 [0,2,0,0,0,0|2,0,0]=4 11389 B11R0.31 CC(=O)CCCOCC(C)(C)C 34a_100000759063_100011219605 [0,2,0,0,0,0|2,0,0]=4 11390 B11R0.31 CC(=O)CCCOCC(C)(C)F 34a_100000716592_100000685027 [0,2,0,0,0,0|2,0,0]=4 11391 B11R0.31 CC(=O)CCCOCC(C)(C)F 34a_100000759063_100011997219 [0,2,0,0,0,0|2,0,0]=4 11392 B11R0.31 CC(=O)CCCOCC(C)(C)O 34a_100000759063_100000764493 [0,2,0,0,0,0|2,0,0]=4 11393 B11R0.31 CC(=O)CCCOCC(C)(C)O 7a_100000759063_100000764493 [0,2,0,0,0,0|2,0,0]=4 11394 B11R0.31 CC(=O)CCCOCC(C)(F)F 34a_100000068830_100000685027 [0,2,0,0,0,0|2,0,0]=4 11395 B11R0.31 CC(=O)CCCSCC(C)(C)C 62a_100011215641_100011219605 [0,2,0,0,0,0|2,0,0]=4 11396 B11R0.31 CC(=O)CCCSCC(C)(C)C 62a_100011219605_100011215641 [0,2,0,0,0,0|2,0,0]=4 11397 B11R0.31 CC(=O)CCCSCC(C)(C)F 62a_100011215641_100011997219 [0,2,0,0,0,0|2,0,0]=4 11398 B11R0.31 CC(=O)CCCSCC(C)(C)F 62a_100011997219_100011215641 [0,2,0,0,0,0|2,0,0]=4 11399 B11R0.31 CC(=O)CCCSCC(C)(C)O 62a_100000764493_100011215641 [0,2,0,0,0,0|2,0,0]=4 11400 B11R0.31 CC(=O)CCCSCC(C)(C)O 62a_100011215641_100000764493 [0,2,0,0,0,0|2,0,0]=4 11401 B11R0.31 CC(=O)CCOCCC(C)(C)C 34a_100000759926_100000755188 [0,2,0,0,0,0|2,0,0]=4 11402 B11R0.31 CC(=O)CCOCCC(C)(C)C 7a_100000759926_100000755188 [0,2,0,0,0,0|2,0,0]=4 11403 B11R0.31 CC(=O)CCOCCC(C)(C)C 7a_100000765024_100000053229 [0,2,0,0,0,0|2,0,0]=4 11404 B11R0.31 CC(=O)CCOCCC(C)(C)O 34a_100000759926_100000702414 [0,2,0,0,0,0|2,0,0]=4 11405 B11R0.31 CC(=O)CCOCCC(C)(C)O 7a_100000759926_100000702414 [0,2,0,0,0,0|2,0,0]=4 11406 B11R0.31 CC(=O)CCSCCC(C)(C)C 62a_100000053229_100000755188 [0,2,0,0,0,0|2,0,0]=4 11407 B11R0.31 CC(=O)CCSCCC(C)(C)C 62a_100000755188_100000053229 [0,2,0,0,0,0|2,0,0]=4 11408 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000053229_100000702414 [0,2,0,0,0,0|2,0,0]=4 11409 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000702414_100000053229 [0,2,0,0,0,0|2,0,0]=4 11410 B11R0.31 CC(=O)COCCCC(C)(C)O 34a_100000211253_100009888830 [0,2,0,0,0,0|2,0,0]=4 11411 B11R0.31 CC(C)(C)CCCCCC(=O)[13CH3] 1458a_100012017116_200025704644 [0,2,0,0,0,0|1,0,0]=3 11412 B11R0.31 CC(C)(C)CCNCCC(=O)N 2230a_100000738805_100000744528 [0,2,0,0,0,0|2,0,0]=4 11413 B11R0.31 CC(C)(C)CCNOCC(=O)O 269956a_100000106656_100000755188 [0,2,0,0,0,0|2,0,0]=4 11414 B11R0.31 CC(C)(C)CCOCCC(=O)N 34a_100000757172_100000755188 [0,2,0,0,0,0|2,0,0]=4 11415 B11R0.31 CC(C)(C)CCOCCC(=O)N 7a_100000757172_100000755188 [0,2,0,0,0,0|2,0,0]=4 11416 B11R0.31 CC(C)(C)CCOCCC(=O)N 7a_100000765024_100000744528 [0,2,0,0,0,0|2,0,0]=4 11417 B11R0.31 CC(C)(C)CCSCCC(=O)N 62a_100000744528_100000755188 [0,2,0,0,0,0|2,0,0]=4 11418 B11R0.31 CC(C)(C)CCSCCC(=O)N 62a_100000755188_100000744528 [0,2,0,0,0,0|2,0,0]=4 11419 B11R0.31 CC(C)(C)CNCCCC(=O)N 34a_100000739312_100011219605 [0,2,0,0,0,0|2,0,0]=4 11420 B11R0.31 CC(C)(C)CSCCCC(=O)N 62a_100011219605_100102525003 [0,2,0,0,0,0|2,0,0]=4 11421 B11R0.31 CC(C)(C)CSCCCC(=O)N 62a_100102525003_100011219605 [0,2,0,0,0,0|2,0,0]=4 11422 B11R0.31 CC(C)(C)NCCCCC(=O)N 34a_100000696515_100000210625 [0,2,0,0,0,0|2,0,0]=4 11423 B11R0.31 CC(C)(C)NCCOCC(=O)O 269956a_100000700818_100000211941 [0,2,0,0,0,0|2,0,0]=4 11424 B11R0.31 CC(C)(C)OCCCCC(=O)N 34a_100012022536_100000210625 [0,2,0,0,0,0|2,0,0]=4 11425 B11R0.31 CC(C)(F)CCNCCC(=O)N 2230a_100016253952_100000744528 [0,2,0,0,0,0|2,0,0]=4 11426 B11R0.31 CC(C)(F)CNCCCC(=O)N 34a_100000739312_100011997219 [0,2,0,0,0,0|2,0,0]=4 11427 B11R0.31 CC(C)(F)COCCCC(=O)N 34a_100000716592_100102525003 [0,2,0,0,0,0|2,0,0]=4 11428 B11R0.31 CC(C)(F)CSCCCC(=O)N 62a_100011997219_100102525003 [0,2,0,0,0,0|2,0,0]=4 11429 B11R0.31 CC(C)(F)CSCCCC(=O)N 62a_100102525003_100011997219 [0,2,0,0,0,0|2,0,0]=4 11430 B11R0.31 CC(C)(O)CCCNCC(=O)N 2230a_100000711301_100009888830 [0,2,0,0,0,0|2,0,0]=4 11431 B11R0.31 CC(C)(O)CCCNCC(=O)O 269956a_100016091260_100009888830 [0,2,0,0,0,0|1,0,0]=3 11432 B11R0.31 CC(C)(O)CCCSCC(=O)N 62a_100000747473_100009888830 [0,2,0,0,0,0|2,0,0]=4 11433 B11R0.31 CC(C)(O)CCCSCC(=O)N 62a_100009888830_100000747473 [0,2,0,0,0,0|2,0,0]=4 11434 B11R0.31 CC(C)(O)CCCSCC(=O)[O-] 62a_100009888830_100020667443 [0,2,0,0,0,0|1,0,1]=4 11435 B11R0.31 CC(C)(O)CCCSCC(=O)[O-] 62a_100020667443_100009888830 [0,2,0,0,0,0|1,0,1]=4 11436 B11R0.31 CC(C)(O)CCNOCC(=O)O 269956a_100000106656_100000702414 [0,2,0,0,0,0|2,0,0]=4 11437 B11R0.31 CC(C)(O)CCOCCC(=O)N 34a_100000757172_100000702414 [0,2,0,0,0,0|2,0,0]=4 11438 B11R0.31 CC(C)(O)CCOCCC(=O)N 7a_100000757172_100000702414 [0,2,0,0,0,0|2,0,0]=4 11439 B11R0.31 CC(C)(O)CCSCCC(=O)N 62a_100000702414_100000744528 [0,2,0,0,0,0|2,0,0]=4 11440 B11R0.31 CC(C)(O)CCSCCC(=O)N 62a_100000744528_100000702414 [0,2,0,0,0,0|2,0,0]=4 11441 B11R0.31 CC(C)(O)CNCCCC(=O)N 34a_100000739312_100000764493 [0,2,0,0,0,0|2,0,0]=4 11442 B11R0.31 CC(C)(O)CSCCCC(=O)N 62a_100000764493_100102525003 [0,2,0,0,0,0|2,0,0]=4 11443 B11R0.31 CC(C)(O)CSCCCC(=O)N 62a_100102525003_100000764493 [0,2,0,0,0,0|2,0,0]=4 11444 B11R0.31 CC(F)(F)COCCCC(=O)N 34a_100000068830_100102525003 [0,2,0,0,0,0|2,0,0]=4 11445 B11R0.31 CS(=O)(=O)CCCNCC(=O)O 269956a_100016091260_100000754308 [0,2,0,0,0,0|2,0,0]=4 11446 B11R0.31 C[N+](C)(C)CCCNCC(=O)O 269956a_100016091260_100016990835 [0,2,0,0,0,0|2,0,0]=4 11447 B11R0.31 C[Si](C)(C)CCCNCC(=O)O 269956a_100016091260_100011219597 [0,2,0,0,0,0|1,1,0]=4 11448 B11R0.31 O=C(O)CNCCCC(F)(F)F 269956a_100016091260_100011216173 [0,2,0,0,0,0|2,0,0]=4 11449 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,2,0,0,0,0|1,0,1]=4 11450 B11R0.22 C#CC(CC)OCCCC(=O)C 34a_100000758843_100000685027 [0,2,0,0,0,0|2,0,0]=4 11451 B11R0.22 C#CC(CC)OCCCC(=O)C 7a_100000758843_100011215641 [0,2,0,0,0,0|2,0,0]=4 11452 B11R0.22 C#CC(CC)OCCCC(=O)N 34a_100000758843_100102525003 [0,2,0,0,0,0|2,0,0]=4 11453 B11R0.22 C#CC(CC)OCCCC(=O)N 7a_100000758843_100102525003 [0,2,0,0,0,0|2,0,0]=4 11454 B11R0.22 C=CC(CC)OCCCC(=O)C 34a_100000766422_100000685027 [0,2,0,0,0,0|2,0,0]=4 11455 B11R0.22 C=CC(CC)OCCCC(=O)C 7a_100000766422_100011215641 [0,2,0,0,0,0|2,0,0]=4 11456 B11R0.22 C=CC(CC)OCCCC(=O)N 34a_100000766422_100102525003 [0,2,0,0,0,0|2,0,0]=4 11457 B11R0.22 C=CC(CC)OCCCC(=O)N 7a_100000766422_100102525003 [0,2,0,0,0,0|2,0,0]=4 11458 B11R0.22 CCC(CC)CNCCC(=O)N 2230a_100102946423_100000744528 [0,2,0,0,0,0|2,0,0]=4 11459 B11R0.22 CCC(CC)CNCCC(=O)N 269862a_100000740010_100000211137 [0,2,0,0,0,0|2,0,0]=4 11460 B11R0.22 CCC(CC)CNOCC(=O)O 269956a_100000106656_100011215472 [0,2,0,0,0,0|2,0,0]=4 11461 B11R0.22 CCC(CC)COCCC(=O)C 34a_100000759926_100011215472 [0,2,0,0,0,0|2,0,0]=4 11462 B11R0.22 CCC(CC)COCCC(=O)C 7a_100000703878_100000053229 [0,2,0,0,0,0|2,0,0]=4 11463 B11R0.22 CCC(CC)COCCC(=O)C 7a_100000759926_100011215472 [0,2,0,0,0,0|2,0,0]=4 11464 B11R0.22 CCC(CC)COCCC(=O)N 34a_100000757172_100011215472 [0,2,0,0,0,0|2,0,0]=4 11465 B11R0.22 CCC(CC)COCCC(=O)N 7a_100000703878_100000744528 [0,2,0,0,0,0|2,0,0]=4 11466 B11R0.22 CCC(CC)COCCC(=O)N 7a_100000757172_100011215472 [0,2,0,0,0,0|2,0,0]=4 11467 B11R0.22 CCC(CC)CSCCC(=O)C 62a_100000053229_100011215472 [0,2,0,0,0,0|2,0,0]=4 11468 B11R0.22 CCC(CC)CSCCC(=O)C 62a_100011215472_100000053229 [0,2,0,0,0,0|2,0,0]=4 11469 B11R0.22 CCC(CC)CSCCC(=O)N 62a_100000744528_100011215472 [0,2,0,0,0,0|2,0,0]=4 11470 B11R0.22 CCC(CC)CSCCC(=O)N 62a_100011215472_100000744528 [0,2,0,0,0,0|2,0,0]=4 11471 B11R0.22 CCC(CC)OCCCC(=O)C 7a_100000688536_100011215641 [0,2,0,0,0,0|2,0,0]=4 11472 B11R0.22 CCC(CC)OCCCC(=O)C 7a_100000759063_100000210505 [0,2,0,0,0,0|2,0,0]=4 11473 B11R0.22 CCC(CC)OCCCC(=O)N 7a_100000688536_100102525003 [0,2,0,0,0,0|2,0,0]=4 11474 B11R0.22 CCC(CC)SCCCC(=O)C 62a_100000210505_100011215641 [0,2,0,0,0,0|2,0,0]=4 11475 B11R0.22 CCC(CC)SCCCC(=O)C 62a_100011215641_100000210505 [0,2,0,0,0,0|2,0,0]=4 11476 B11R0.22 CCC(CC)SCCCC(=O)N 62a_100000210505_100102525003 [0,2,0,0,0,0|2,0,0]=4 11477 B11R0.22 CCC(CC)SCCCC(=O)N 62a_100102525003_100000210505 [0,2,0,0,0,0|2,0,0]=4 11478 B11R0.22 CCC(COCCC(=O)C)OC 7a_100011934954_100000053229 [0,2,0,0,0,0|2,0,0]=4 11479 B11R0.22 CCC(COCCC(=O)N)OC 34a_100011934954_100000731001 [0,2,0,0,0,0|2,0,0]=4 11480 B11R0.22 CCC(COCCC(=O)N)OC 7a_100011934954_100000744528 [0,2,0,0,0,0|2,0,0]=4 11481 B11R0.22 CCN(CC)CCCCC(=O)C 269956a_100000042499_100000735457 [0,2,0,0,0,0|2,0,0]=4 11482 B11R0.22 CCN(CC)CCCCC(=O)C 269982a_100000724800_100000735457 [0,2,0,0,0,0|2,0,0]=4 11483 B11R0.22 CCN(CC)CCNCC(=O)O 269956a_100016091260_100000700428 [0,2,0,0,0,0|2,0,0]=4 11484 B11R0.22 COC(CCNCC(=O)O)OC 269956a_100016091260_100000139399 [0,2,0,0,0,0|2,0,0]=4 11485 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,2,0,0,0,0|1,0,1]=4 11486 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,2,0,0,0,0|1,0,1]=4 11487 B11R0.29 CC(=O)C(C)COCCC(C)C 34a_100000032740_100000210312 [0,2,0,0,0,0|2,0,0]=4 11488 B11R0.29 CC(=O)C(C)COCCC(C)C 7a_100000032740_100000210626 [0,2,0,0,0,0|2,0,0]=4 11489 B11R0.29 CC(=O)C(C)COCCC(C)O 34a_100000032740_100012276601 [0,2,0,0,0,0|2,0,0]=4 11490 B11R0.29 CC(=O)C(C)COCCC(C)O 7a_100000032740_100012276601 [0,2,0,0,0,0|2,0,0]=4 11491 B11R0.29 CC(=O)C(C)NCCCC(C)C 2230a_200000737386_100009814033 [0,2,0,0,0,0|2,0,0]=4 11492 B11R0.29 CC(=O)C(C)OCCCC(C)C 34a_100000212229_100011214892 [0,2,0,0,0,0|2,0,0]=4 11493 B11R0.29 CC(=O)C(C)OCCCC(C)C 7a_100000210774_100000179758 [0,2,0,0,0,0|2,0,0]=4 11494 B11R0.29 CC(=O)C(C)OCCCC(C)O 34a_100000212229_200000718107 [0,2,0,0,0,0|2,0,0]=4 11495 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100009814033_100011214892 [0,2,0,0,0,0|2,0,0]=4 11496 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100011214892_100009814033 [0,2,0,0,0,0|2,0,0]=4 11497 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_100009814033_200000718107 [0,2,0,0,0,0|2,0,0]=4 11498 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_200000718107_100009814033 [0,2,0,0,0,0|2,0,0]=4 11499 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [0,2,0,0,0,0|1,0,1]=4 11500 B11R0.29 CC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000735457 [0,2,0,0,0,0|1,0,1]=4 11501 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [0,2,0,0,0,0|1,0,1]=4 11502 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [0,2,0,0,0,0|1,0,1]=4 11503 B11R0.29 CC(=O)CCCCN(C)C(C)C 269982a_200000211004_100000735457 [0,2,0,0,0,0|2,0,0]=4 11504 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,2,0,0,0,0|1,0,1]=4 11505 B11R0.29 CC(=O)CCCOC(C)C(C)C 7a_100000748068_100011215641 [0,2,0,0,0,0|2,0,0]=4 11506 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,2,0,0,0,0|1,0,1]=4 11507 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,2,0,0,0,0|1,0,1]=4 11508 B11R0.29 CC(C)C(C)OCCCC(=O)N 7a_100000748068_100102525003 [0,2,0,0,0,0|2,0,0]=4 11509 B11R0.29 CC(C)C(N)CCOCC(=O)N 34a_100161115045_100000187820 [0,2,0,0,0,0|2,0,0]=4 11510 B11R0.29 CC(C)C(N)CCOCC(=O)[O-] 34a_100161115045_100020667443 [0,2,0,0,0,0|1,0,1]=4 11511 B11R0.29 CC(C)C(O)CNCCC(=O)N 2230a_100000759067_100000744528 [0,2,0,0,0,0|2,0,0]=4 11512 B11R0.29 CC(C)C(O)CNCCC(=O)N 34a_100000759067_100000731001 [0,2,0,0,0,0|2,0,0]=4 11513 B11R0.29 CC(C)CCCNC(C)C(=O)N 2230a_200000737386_100000702099 [0,2,0,0,0,0|2,0,0]=4 11514 B11R0.29 CC(C)CCCNC(C)C(=O)N 34a_200000737386_100000702099 [0,2,0,0,0,0|2,0,0]=4 11515 B11R0.29 CC(C)CCCNC(F)C(=O)N 2230a_200000737386_100009813875 [0,2,0,0,0,0|2,0,0]=4 11516 B11R0.29 CC(C)CCCNC(F)C(=O)N 34a_200000737386_100009813875 [0,2,0,0,0,0|2,0,0]=4 11517 B11R0.29 CC(C)CCCNC(F)C(=O)[O-] 34a_200000737386_100020610796 [0,2,0,0,0,0|1,0,1]=4 11518 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,2,0,0,0,0|1,0,0]=3 11519 B11R0.29 CC(C)CCCN[C@H](C)C(=O)N 2230a_100000119354_100011214892 [0,2,0,0,0,0|2,0,0]=4 11520 B11R0.29 CC(C)CCCN[C@H](C)C(=O)N 34a_100000119354_100011214892 [0,2,0,0,0,0|2,0,0]=4 11521 B11R0.29 CC(C)CCCOC(C)C(=O)N 34a_100000210774_100000702099 [0,2,0,0,0,0|2,0,0]=4 11522 B11R0.29 CC(C)CCCOC(C)C(=O)N 7a_100000210774_100000702099 [0,2,0,0,0,0|2,0,0]=4 11523 B11R0.29 CC(C)CCCOC(F)C(=O)N 34a_100000210774_100009813875 [0,2,0,0,0,0|2,0,0]=4 11524 B11R0.29 CC(C)CCCOC(F)C(=O)N 7a_100000210774_100009813875 [0,2,0,0,0,0|2,0,0]=4 11525 B11R0.29 CC(C)CCCOC(F)C(=O)[O-] 34a_100000210774_100020610796 [0,2,0,0,0,0|1,0,1]=4 11526 B11R0.29 CC(C)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011214892 [0,2,0,0,0,0|1,0,1]=4 11527 B11R0.29 CC(C)CCCO[C@H](C)C(=O)N 34a_100000731257_100011214892 [0,2,0,0,0,0|2,0,0]=4 11528 B11R0.29 CC(C)CCCO[C@H](C)C(=O)N 7a_100000731257_100011214892 [0,2,0,0,0,0|2,0,0]=4 11529 B11R0.29 CC(C)CCCSC(C)C(=O)N 62a_100000702099_100011214892 [0,2,0,0,0,0|2,0,0]=4 11530 B11R0.29 CC(C)CCCSC(C)C(=O)N 62a_100011214892_100000702099 [0,2,0,0,0,0|2,0,0]=4 11531 B11R0.29 CC(C)CCCSC(F)C(=O)N 62a_100009813875_100011214892 [0,2,0,0,0,0|2,0,0]=4 11532 B11R0.29 CC(C)CCCSC(F)C(=O)N 62a_100011214892_100009813875 [0,2,0,0,0,0|2,0,0]=4 11533 B11R0.29 CC(C)CCCSC(F)C(=O)[O-] 62a_100011214892_100020610796 [0,2,0,0,0,0|1,0,1]=4 11534 B11R0.29 CC(C)CCCSC(F)C(=O)[O-] 62a_100020610796_100011214892 [0,2,0,0,0,0|1,0,1]=4 11535 B11R0.29 CC(C)CCNCC(C)C(=O)O 269956a_100000749485_100000210312 [0,2,0,0,0,0|1,0,0]=3 11536 B11R0.29 CC(C)CCNCC(F)C(=O)O 269956a_100000084737_100000210312 [0,2,0,0,0,0|1,0,0]=3 11537 B11R0.29 CC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000210312 [0,2,0,0,0,0|2,0,0]=4 11538 B11R0.29 CC(C)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100000211751 [0,2,0,0,0,0|2,0,0]=4 11539 B11R0.29 CC(C)OCNCC(C)C(=O)O 269956a_100000749485_100000709892 [0,2,0,0,0,0|2,0,0]=4 11540 B11R0.29 CC(C)OCNCC(F)C(=O)O 269956a_100000084737_100000709892 [0,2,0,0,0,0|2,0,0]=4 11541 B11R0.29 CC(C)SCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730970 [0,2,0,0,0,0|2,0,0]=4 11542 B11R0.29 CC(C)[C@@H](N)COCCC(=O)N 34a_100011830312_100000731001 [0,2,0,0,0,0|2,0,0]=4 11543 B11R0.29 CC(CNCCN(C)C)C(=O)O 269956a_100000749485_100000755713 [0,2,0,0,0,0|2,0,0]=4 11544 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,2,0,0,0,0|1,0,0]=3 11545 B11R0.29 CC(O)CCCN[C@H](C)C(=O)N 2230a_100000119354_200000718107 [0,2,0,0,0,0|2,0,0]=4 11546 B11R0.29 CC(O)CCCN[C@H](C)C(=O)N 34a_100000119354_200000718107 [0,2,0,0,0,0|2,0,0]=4 11547 B11R0.29 CC(O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_200000718107 [0,2,0,0,0,0|1,0,1]=4 11548 B11R0.29 CC(O)CCCO[C@H](C)C(=O)N 34a_100000731257_200000718107 [0,2,0,0,0,0|2,0,0]=4 11549 B11R0.29 CC(O)CCCO[C@H](C)C(=O)N 7a_100000731257_200000718107 [0,2,0,0,0,0|2,0,0]=4 11550 B11R0.29 CC(O)CCCSC(C)C(=O)N 62a_100000702099_200000718107 [0,2,0,0,0,0|2,0,0]=4 11551 B11R0.29 CC(O)CCCSC(C)C(=O)N 62a_200000718107_100000702099 [0,2,0,0,0,0|2,0,0]=4 11552 B11R0.29 CC(O)CCCSC(F)C(=O)N 62a_100009813875_200000718107 [0,2,0,0,0,0|2,0,0]=4 11553 B11R0.29 CC(O)CCCSC(F)C(=O)N 62a_200000718107_100009813875 [0,2,0,0,0,0|2,0,0]=4 11554 B11R0.29 CC(O)CCCSC(F)C(=O)[O-] 62a_100020610796_200000718107 [0,2,0,0,0,0|1,0,1]=4 11555 B11R0.29 CC(O)CCCSC(F)C(=O)[O-] 62a_200000718107_100020610796 [0,2,0,0,0,0|1,0,1]=4 11556 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,2,0,0,0,0|1,0,0]=3 11557 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,2,0,0,0,0|1,0,0]=3 11558 B11R0.29 CC(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100012276601 [0,2,0,0,0,0|2,0,0]=4 11559 B11R0.29 CN(C)CCNCC(F)C(=O)O 269956a_100000084737_100000755713 [0,2,0,0,0,0|2,0,0]=4 11560 B11R0.29 C[C@H](NCCCN(C)C)C(=O)O 269956a_100000743915_100000757444 [0,2,0,0,0,0|2,0,0]=4 11561 B11R0.93 CCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748023 [0,2,0,0,0,0|1,0,1]=4 11562 B11R0.93 CCC(C)CC(C)NCC(=O)N 2230a_100000763565_100000747473 [0,2,0,0,0,0|2,0,0]=4 11563 B11R0.93 CCC(C)CN(C)CCC(=O)C 269982a_100000753921_100000053229 [0,2,0,0,0,0|2,0,0]=4 11564 B11R0.93 CCC(C)CN(C)CCC(=O)N 2230a_100000730477_100000748023 [0,2,0,0,0,0|2,0,0]=4 11565 B11R0.93 CCC(C)CN(C)CCC(=O)N 2230a_100000753921_100000744528 [0,2,0,0,0,0|2,0,0]=4 11566 B11R0.93 CCC(C)CN(C)CCC(=O)N 269982a_100000753921_100000744528 [0,2,0,0,0,0|2,0,0]=4 11567 B11R0.93 CCC(C)CN(C)CCC(=O)N 270004a_100000730477_100000243153 [0,2,0,0,0,0|2,0,0]=4 11568 B11R0.93 CCC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218378 [0,2,0,0,0,0|1,0,1]=4 11569 B11R0.93 CCC(O)CN(C)CCC(=O)N 2230a_100000730477_100011218378 [0,2,0,0,0,0|2,0,0]=4 11570 B11R0.93 CC[C@H](C)CC(=O)CCC(=O)N 1458a_100011215257_100009816398 [0,2,0,0,0,0|1,0,1]=4 11571 B11R0.93 CC[C@H](C)CN(C)CCC(=O)N 2230a_100000730477_100009816398 [0,2,0,0,0,0|2,0,0]=4 11572 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,2,0,0,0,0|0,0,1]=3 11573 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,2,0,0,0,0|0,0,1]=3 11574 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,2,0,0,0,0|1,0,1]=4 11575 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,2,0,0,0,0|1,0,1]=4 11576 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,2,0,0,0,0|1,0,1]=4 11577 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,2,0,0,0,0|2,0,0]=4 11578 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [0,2,0,0,0,0|1,0,1]=4 11579 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [0,2,0,0,0,0|1,0,1]=4 11580 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,2,0,0,0,0|1,0,1]=4 11581 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [0,2,0,0,0,0|2,0,0]=4 11582 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,2,0,0,0,0|1,0,0]=3 11583 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [0,2,0,0,0,0|2,0,0]=4 11584 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,2,0,0,0,0|1,0,0]=3 11585 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100000738227_100000748023 [0,2,0,0,0,0|2,0,0]=4 11586 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100020588543_100000737683 [0,2,0,0,0,0|2,0,0]=4 11587 B11R0.106 CCC(C)CNCCC(=O)NC 270004a_100000738227_100000243153 [0,2,0,0,0,0|2,0,0]=4 11588 B11R0.106 CCC(C)CNCCC(=O)NC 34a_100000738227_100000748023 [0,2,0,0,0,0|2,0,0]=4 11589 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [0,2,0,0,0,0|1,0,0]=3 11590 B11R0.106 CCC(C)COCCC(=NO)N 34a_100000749954_100000748023 [0,2,0,0,0,0|2,0,0]=4 11591 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [0,2,0,0,0,0|2,0,0]=4 11592 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000737683_100000748023 [0,2,0,0,0,0|2,0,0]=4 11593 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000748023_100000737683 [0,2,0,0,0,0|2,0,0]=4 11594 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [0,2,0,0,0,0|1,0,0]=3 11595 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [0,2,0,0,0,0|1,0,0]=3 11596 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [0,2,0,0,0,0|2,0,0]=4 11597 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000209981_100000741757 [0,2,0,0,0,0|2,0,0]=4 11598 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000740002_100000758301 [0,2,0,0,0,0|2,0,0]=4 11599 B11R0.106 CCC(C)NCCCC(=O)NC 34a_100000740002_100011215416 [0,2,0,0,0,0|2,0,0]=4 11600 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [0,2,0,0,0,0|1,0,0]=3 11601 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [0,2,0,0,0,0|2,0,0]=4 11602 B11R0.106 CCC(C)OCCCC(=O)NN 34a_100000211488_100011215416 [0,2,0,0,0,0|2,0,0]=4 11603 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,2,0,0,0,0|1,0,0]=3 11604 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [0,2,0,0,0,0|2,0,0]=4 11605 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,2,0,0,0,0|2,0,0]=4 11606 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000741757_100000758301 [0,2,0,0,0,0|2,0,0]=4 11607 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000758301_100000741757 [0,2,0,0,0,0|2,0,0]=4 11608 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [0,2,0,0,0,0|1,0,0]=3 11609 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [0,2,0,0,0,0|1,0,0]=3 11610 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100000738227_100011218378 [0,2,0,0,0,0|2,0,0]=4 11611 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100011218483_100000737683 [0,2,0,0,0,0|2,0,0]=4 11612 B11R0.106 CCC(O)CNCCC(=O)NC 34a_100000738227_100011218378 [0,2,0,0,0,0|2,0,0]=4 11613 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,2,0,0,0,0|1,0,0]=3 11614 B11R0.106 CCC(O)COCCC(=NO)N 34a_100000749954_100011218378 [0,2,0,0,0,0|2,0,0]=4 11615 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [0,2,0,0,0,0|2,0,0]=4 11616 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100000737683_100011218378 [0,2,0,0,0,0|2,0,0]=4 11617 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100011218378_100000737683 [0,2,0,0,0,0|2,0,0]=4 11618 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,2,0,0,0,0|1,0,0]=3 11619 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,2,0,0,0,0|1,0,0]=3 11620 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [0,2,0,0,0,0|2,0,0]=4 11621 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [0,2,0,0,0,0|1,0,0]=3 11622 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [0,2,0,0,0,0|1,0,0]=3 11623 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [0,2,0,0,0,0|2,0,0]=4 11624 B11R0.106 CC[C@H](C)CNCCC(=O)NC 2230a_100000738227_100009816398 [0,2,0,0,0,0|2,0,0]=4 11625 B11R0.106 CC[C@H](C)CNCCC(=O)NC 34a_100000738227_100009816398 [0,2,0,0,0,0|2,0,0]=4 11626 B11R0.106 CC[C@H](C)COCCC(=NO)N 34a_100000749954_100009816398 [0,2,0,0,0,0|2,0,0]=4 11627 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [0,2,0,0,0,0|2,0,0]=4 11628 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [0,2,0,0,0,0|2,0,0]=4 11629 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,2,0,0,0,0|1,0,0]=3 11630 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100000737683_100009816398 [0,2,0,0,0,0|2,0,0]=4 11631 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100009816398_100000737683 [0,2,0,0,0,0|2,0,0]=4 11632 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [0,2,0,0,0,0|1,0,0]=3 11633 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [0,2,0,0,0,0|1,0,0]=3 11634 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [0,2,0,0,0,0|2,0,0]=4 11635 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,2,0,0,0,0|1,0,1]=4 11636 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,2,0,0,0,0|1,0,1]=4 11637 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,2,0,0,0,0|1,0,1]=4 11638 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,2,0,0,0,0|1,0,1]=4 11639 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [0,2,0,0,0,0|1,0,1]=4 11640 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,2,0,0,0,0|1,0,1]=4 11641 B11R0.106 COC(=O)CCCN[C@H](C)CO 2230a_100000737577_100011218270 [0,2,0,0,0,0|2,0,0]=4 11642 B11R0.106 COC(=O)CCCOC(C)CF 34a_100016041109_100000742333 [0,2,0,0,0,0|2,0,0]=4 11643 B11R0.106 COC(=O)CCCOC(C)CF 7a_100016041109_100011218270 [0,2,0,0,0,0|2,0,0]=4 11644 B11R0.106 COC(=O)CCCOC(C)CN 34a_100000210904_100000742333 [0,2,0,0,0,0|2,0,0]=4 11645 B11R0.106 COC(=O)CCCSC(C)CO 62a_100012180447_100011218270 [0,2,0,0,0,0|2,0,0]=4 11646 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [0,2,0,0,0,0|2,0,0]=4 11647 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [0,2,0,0,0,0|2,0,0]=4 11648 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100011218270_100016084084 [0,2,0,0,0,0|2,0,0]=4 11649 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100016084084_100011218270 [0,2,0,0,0,0|2,0,0]=4 11650 B11R0.106 COC(=O)CCNCC(C)CO 34a_100000744482_100000742370 [0,2,0,0,0,0|2,0,0]=4 11651 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [0,2,0,0,0,0|2,0,0]=4 11652 B11R0.106 COC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000742370 [0,2,0,0,0,0|2,0,0]=4 11653 B11R0.106 COC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000204255 [0,2,0,0,0,0|2,0,0]=4 11654 B11R0.106 COC(=O)CCOCC(C)CN 34a_100000744482_100000742370 [0,2,0,0,0,0|2,0,0]=4 11655 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [0,2,0,0,0,0|2,0,0]=4 11656 B11R0.106 COC(=O)CCOCC(Cl)CCl 34a_100000033668_100000742370 [0,2,0,0,0,0|2,0,0]=4 11657 B11R0.106 COC(=O)CCOC[C@H](F)CN 34a_100015665980_100000742370 [0,2,0,0,0,0|2,0,0]=4 11658 B11R0.106 COC(=O)CCSCC(O)CO 62a_100000204255_100011219619 [0,2,0,0,0,0|2,0,0]=4 11659 B11R0.106 COC(=O)CCSCC(O)CO 62a_100011219619_100000204255 [0,2,0,0,0,0|2,0,0]=4 11660 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000204255 [0,2,0,0,0,0|2,0,0]=4 11661 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000204255_100000059175 [0,2,0,0,0,0|2,0,0]=4 11662 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100000204255_100015614560 [0,2,0,0,0,0|2,0,0]=4 11663 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000204255 [0,2,0,0,0,0|2,0,0]=4 11664 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100000204255_100009815848 [0,2,0,0,0,0|2,0,0]=4 11665 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000204255 [0,2,0,0,0,0|2,0,0]=4 11666 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [0,2,0,0,0,0|2,0,0]=4 11667 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [0,2,0,0,0,0|2,0,0]=4 11668 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [0,2,0,0,0,0|2,0,0]=4 11669 B11R0.109 CC(CNCC(O)CO)C(=O)O 269956a_100000749485_100011219619 [0,2,0,0,0,0|2,0,0]=4 11670 B11R0.109 CC(CNC[C@@H](C)CO)C(=O)O 269956a_100000749485_100000059175 [0,2,0,0,0,0|2,0,0]=4 11671 B11R0.109 CC(CNC[C@@H](O)CF)C(=O)O 269956a_100000749485_100015614560 [0,2,0,0,0,0|2,0,0]=4 11672 B11R0.109 CC(CNC[C@@H](O)CO)C(=O)O 269956a_100000749485_100009815848 [0,2,0,0,0,0|2,0,0]=4 11673 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,2,0,0,0,0|1,0,1]=4 11674 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,2,0,0,0,0|1,0,1]=4 11675 B11R0.109 CCC(C)CCNC(C)C(=O)C 2230a_100020591266_100009814033 [0,2,0,0,0,0|2,0,0]=4 11676 B11R0.109 CCC(C)CCNC(C)C(=O)N 2230a_100020591266_100000702099 [0,2,0,0,0,0|2,0,0]=4 11677 B11R0.109 CCC(C)CCNC(F)C(=O)N 2230a_100020591266_100009813875 [0,2,0,0,0,0|2,0,0]=4 11678 B11R0.109 CCC(C)CCOC(C)C(=O)C 7a_100011215188_100000179758 [0,2,0,0,0,0|2,0,0]=4 11679 B11R0.109 CCC(C)CCOC(C)C(=O)N 7a_100011215188_100000702099 [0,2,0,0,0,0|2,0,0]=4 11680 B11R0.109 CCC(C)CCOC(F)C(=O)N 7a_100011215188_100009813875 [0,2,0,0,0,0|2,0,0]=4 11681 B11R0.109 CCC(C)CNCC(C)C(=O)O 269956a_100000749485_100000748023 [0,2,0,0,0,0|1,0,0]=3 11682 B11R0.109 CCC(C)CNCC(F)C(=O)O 269956a_100000084737_100000748023 [0,2,0,0,0,0|1,0,0]=3 11683 B11R0.109 CCC(C)COCC(C)C(=O)C 34a_100000032740_100000748023 [0,2,0,0,0,0|2,0,0]=4 11684 B11R0.109 CCC(C)COCC(C)C(=O)C 7a_100000032740_100000748023 [0,2,0,0,0,0|2,0,0]=4 11685 B11R0.109 CCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000748023 [0,2,0,0,0,0|2,0,0]=4 11686 B11R0.109 CCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218378 [0,2,0,0,0,0|1,0,0]=3 11687 B11R0.109 CCC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218378 [0,2,0,0,0,0|1,0,0]=3 11688 B11R0.109 CCC(O)COCC(C)C(=O)C 34a_100000032740_100011218378 [0,2,0,0,0,0|2,0,0]=4 11689 B11R0.109 CCC(O)COCC(C)C(=O)C 7a_100000032740_100011218378 [0,2,0,0,0,0|2,0,0]=4 11690 B11R0.109 CCC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218378 [0,2,0,0,0,0|2,0,0]=4 11691 B11R0.109 CC[C@H](C)CNCC(C)C(=O)O 269956a_100000749485_100009816398 [0,2,0,0,0,0|1,0,0]=3 11692 B11R0.109 CC[C@H](C)CNCC(F)C(=O)O 269956a_100000084737_100009816398 [0,2,0,0,0,0|1,0,0]=3 11693 B11R0.109 CC[C@H](C)COCC(C)C(=O)C 34a_100000032740_100009816398 [0,2,0,0,0,0|2,0,0]=4 11694 B11R0.109 CC[C@H](C)COCC(C)C(=O)C 7a_100000032740_100009816398 [0,2,0,0,0,0|2,0,0]=4 11695 B11R0.109 CC[C@H](C)COC[C@H](N)C(=O)N 34a_100000729942_100009816398 [0,2,0,0,0,0|2,0,0]=4 11696 B11R0.109 C[C@@H](CO)CNCC(F)C(=O)O 269956a_100000084737_100000059175 [0,2,0,0,0,0|2,0,0]=4 11697 B11R0.109 O=C(O)C(F)CNCC(O)CO 269956a_100000084737_100011219619 [0,2,0,0,0,0|2,0,0]=4 11698 B11R0.109 O=C(O)C(F)CNC[C@@H](O)CF 269956a_100000084737_100015614560 [0,2,0,0,0,0|2,0,0]=4 11699 B11R0.109 O=C(O)C(F)CNC[C@@H](O)CO 269956a_100000084737_100009815848 [0,2,0,0,0,0|2,0,0]=4 11700 B11R0.127 CCC(C)(C)COCCC(=O)C 7a_100000765029_100000053229 [0,2,0,0,0,0|2,0,0]=4 11701 B11R0.127 CCC(C)(C)COCCC(=O)N 7a_100000765029_100000744528 [0,2,0,0,0,0|2,0,0]=4 11702 B11R0.127 CCC(C)(C)OCCCC(=O)C 7a_100000210230_100011215641 [0,2,0,0,0,0|2,0,0]=4 11703 B11R0.127 CCC(C)(C)OCCCC(=O)C 7a_100000759063_100000210677 [0,2,0,0,0,0|2,0,0]=4 11704 B11R0.127 CCC(C)(C)OCCCC(=O)N 7a_100000210230_100102525003 [0,2,0,0,0,0|2,0,0]=4 11705 B11R0.127 CCC(C)(C)SCCCC(=O)C 62a_100000032637_100011215641 [0,2,0,0,0,0|2,0,0]=4 11706 B11R0.127 CCC(C)(C)SCCCC(=O)C 62a_100011215641_100000032637 [0,2,0,0,0,0|2,0,0]=4 11707 B11R0.127 CCC(C)(C)SCCCC(=O)N 62a_100000032637_100102525003 [0,2,0,0,0,0|2,0,0]=4 11708 B11R0.127 CCC(C)(C)SCCCC(=O)N 62a_100102525003_100000032637 [0,2,0,0,0,0|2,0,0]=4 11709 B11R0.127 CCS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000756660 [0,2,0,0,0,0|2,0,0]=4 11710 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,2,0,0,0,0|1,0,0]=3 11711 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,2,0,0,0,0|1,0,0]=3 11712 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,2,0,0,0,0|2,0,0]=4 11713 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,2,0,0,0,0|2,0,0]=4 11714 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,2,0,0,0,0|2,0,0]=4 11715 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,2,0,0,0,0|2,0,0]=4 11716 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,2,0,0,0,0|2,0,0]=4 11717 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,2,0,0,0,0|2,0,0]=4 11718 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,2,0,0,0,0|2,0,0]=4 11719 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,2,0,0,0,0|0,0,2]=4 11720 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,2,0,0,0,0|0,0,2]=4 11721 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,2,0,0,0,0|0,0,2]=4 11722 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,2,0,0,0,0|1,0,0]=3 11723 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,2,0,0,0,0|1,0,0]=3 11724 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,2,0,0,0,0|2,0,0]=4 11725 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,2,0,0,0,0|2,0,0]=4 11726 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,2,0,0,0,0|2,0,0]=4 11727 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,2,0,0,0,0|2,0,0]=4 11728 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,2,0,0,0,0|2,0,0]=4 11729 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,2,0,0,0,0|2,0,0]=4 11730 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,2,0,0,0,0|2,0,0]=4 11731 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,2,0,0,0,0|2,0,0]=4 11732 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,2,0,0,0,0|2,0,0]=4 11733 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|0,0,2]=4 11734 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|0,0,2]=4 11735 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,2,0,0,0,0|0,0,2]=4 11736 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,2,0,0,0,0|1,0,0]=3 11737 B11R0.4 C=COC(=O)CNCCCCO 2230a_100000750430_100000036128 [0,2,0,0,0,0|2,0,0]=4 11738 B11R0.4 C=COC(=O)CNCCCCO 34a_100000750430_100000036128 [0,2,0,0,0,0|2,0,0]=4 11739 B11R0.4 C=COC(=O)CNCCCOC 34a_100150723488_100000036128 [0,2,0,0,0,0|2,0,0]=4 11740 B11R0.4 C=COC(=O)CNCCCSC 2230a_100000749238_100000036128 [0,2,0,0,0,0|2,0,0]=4 11741 B11R0.4 C=COC(=O)CNCCOCC 2230a_102516460346_100000036128 [0,2,0,0,0,0|2,0,0]=4 11742 B11R0.4 C=COC(=O)CNCCOCC 34a_102516460346_100000036128 [0,2,0,0,0,0|2,0,0]=4 11743 B11R0.4 C=COC(=O)CNCCSCC 2230a_100000106463_100000036128 [0,2,0,0,0,0|2,0,0]=4 11744 B11R0.4 C=COC(=O)COCCCCBr 34a_100011216708_100000036128 [0,2,0,0,0,0|2,0,0]=4 11745 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,2,0,0,0,0|1,0,0]=3 11746 B11R0.4 C=COC(=O)COCCCCCl 34a_100000210776_100000036128 [0,2,0,0,0,0|2,0,0]=4 11747 B11R0.4 C=COC(=O)COCCCCF 34a_100011995726_100000036128 [0,2,0,0,0,0|2,0,0]=4 11748 B11R0.4 C=COC(=O)COCCCCI 34a_200012148704_100000036128 [0,2,0,0,0,0|2,0,0]=4 11749 B11R0.4 C=COC(=O)COCCCCN 34a_100000750430_100000036128 [0,2,0,0,0,0|2,0,0]=4 11750 B11R0.4 C=COC(=O)COCCCNC 34a_100000213112_100000036128 [0,2,0,0,0,0|2,0,0]=4 11751 B11R0.4 C=COC(=O)COCCCOC 34a_100000740835_100000036128 [0,2,0,0,0,0|2,0,0]=4 11752 B11R0.4 C=COC(=O)COCCCSC 34a_100000690336_100000036128 [0,2,0,0,0,0|2,0,0]=4 11753 B11R0.4 C=COC(=O)COCCOCC 34a_100000210136_100000036128 [0,2,0,0,0,0|2,0,0]=4 11754 B11R0.4 C=COC(=O)COCCSCC 34a_100000212035_100000036128 [0,2,0,0,0,0|2,0,0]=4 11755 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,2,0,0,0,0|1,0,0]=3 11756 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,2,0,0,0,0|1,0,0]=3 11757 B11R0.4 C=COC(=O)CSCCCCF 62a_100000036128_100000729493 [0,2,0,0,0,0|2,0,0]=4 11758 B11R0.4 C=COC(=O)CSCCCCF 62a_100000729493_100000036128 [0,2,0,0,0,0|2,0,0]=4 11759 B11R0.4 C=COC(=O)CSCCCCO 62a_100000036128_100000210776 [0,2,0,0,0,0|2,0,0]=4 11760 B11R0.4 C=COC(=O)CSCCCCO 62a_100000210776_100000036128 [0,2,0,0,0,0|2,0,0]=4 11761 B11R0.4 C=COC(=O)CSCCCOC 62a_100000036128_100000709357 [0,2,0,0,0,0|2,0,0]=4 11762 B11R0.4 C=COC(=O)CSCCCOC 62a_100000709357_100000036128 [0,2,0,0,0,0|2,0,0]=4 11763 B11R0.4 C=COC(=O)CSCCOCC 62a_100000036128_100011215890 [0,2,0,0,0,0|2,0,0]=4 11764 B11R0.4 C=COC(=O)CSCCOCC 62a_100000210147_100000036128 [0,2,0,0,0,0|2,0,0]=4 11765 B11R0.4 C=COC(=O)CSCCSCC 62a_100000036128_100000757381 [0,2,0,0,0,0|2,0,0]=4 11766 B11R0.4 C=COC(=O)CSCCSCC 62a_100000757381_100000036128 [0,2,0,0,0,0|2,0,0]=4 11767 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,2,0,0,0,0|1,0,0]=3 11768 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,2,0,0,0,0|2,0,0]=4 11769 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,2,0,0,0,0|2,0,0]=4 11770 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,2,0,0,0,0|2,0,0]=4 11771 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,2,0,0,0,0|1,0,0]=3 11772 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,2,0,0,0,0|2,0,0]=4 11773 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,2,0,0,0,0|2,0,0]=4 11774 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,2,0,0,0,0|2,0,0]=4 11775 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,2,0,0,0,0|2,0,0]=4 11776 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,2,0,0,0,0|2,0,0]=4 11777 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,2,0,0,0,0|2,0,0]=4 11778 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|2,0,0]=4 11779 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|2,0,0]=4 11780 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|2,0,0]=4 11781 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|2,0,0]=4 11782 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,2,0,0,0,0|0,0,2]=4 11783 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,2,0,0,0,0|0,0,2]=4 11784 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,2,0,0,0,0|0,0,2]=4 11785 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,2,0,0,0,0|1,0,0]=3 11786 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,2,0,0,0,0|1,0,0]=3 11787 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,2,0,0,0,0|1,0,0]=3 11788 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,2,0,0,0,0|1,0,0]=3 11789 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,2,0,0,0,0|1,0,0]=3 11790 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|1,0,0]=3 11791 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|1,0,0]=3 11792 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|1,0,0]=3 11793 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,0]=2 11794 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,0]=2 11795 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|0,0,0]=2 11796 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|0,1,0]=3 11797 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|1,0,0]=3 11798 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|1,0,0]=3 11799 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|1,0,0]=3 11800 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,2,0,0,0,0|1,0,0]=3 11801 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,2,0,0,0,0|1,0,1]=4 11802 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,2,0,0,0,0|1,0,1]=4 11803 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,2,0,0,0,0|1,0,1]=4 11804 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,2,0,0,0,0|1,0,1]=4 11805 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,2,0,0,0,0|1,0,1]=4 11806 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,2,0,0,0,0|2,0,0]=4 11807 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,2,0,0,0,0|2,0,0]=4 11808 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|2,0,0]=4 11809 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|2,0,0]=4 11810 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|2,0,0]=4 11811 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|2,0,0]=4 11812 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 11813 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 11814 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,2,0,0,0,0|2,0,0]=4 11815 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,2,0,0,0,0|2,0,0]=4 11816 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,2,0,0,0,0|2,0,0]=4 11817 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,2,0,0,0,0|2,0,0]=4 11818 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,2,0,0,0,0|2,0,0]=4 11819 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,2,0,0,0,0|2,0,0]=4 11820 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,2,0,0,0,0|2,0,0]=4 11821 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,2,0,0,0,0|2,0,0]=4 11822 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,2,0,0,0,0|2,0,0]=4 11823 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,2,0,0,0,0|2,0,0]=4 11824 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,2,0,0,0,0|2,0,0]=4 11825 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,2,0,0,0,0|2,0,0]=4 11826 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,2,0,0,0,0|1,0,0]=3 11827 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,2,0,0,0,0|2,0,0]=4 11828 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,2,0,0,0,0|2,0,0]=4 11829 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,2,0,0,0,0|2,0,0]=4 11830 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,2,0,0,0,0|1,0,0]=3 11831 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,2,0,0,0,0|1,0,0]=3 11832 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,2,0,0,0,0|1,0,0]=3 11833 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,2,0,0,0,0|1,0,0]=3 11834 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,2,0,0,0,0|1,0,0]=3 11835 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,2,0,0,0,0|1,1,0]=4 11836 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,2,0,0,0,0|1,1,0]=4 11837 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,2,0,0,0,0|1,1,0]=4 11838 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,2,0,0,0,0|1,1,0]=4 11839 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,2,0,0,0,0|1,1,0]=4 11840 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,2,0,0,0,0|1,1,0]=4 11841 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,2,0,0,0,0|2,0,0]=4 11842 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,2,0,0,0,0|2,0,0]=4 11843 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,2,0,0,0,0|2,0,0]=4 11844 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,2,0,0,0,0|2,0,0]=4 11845 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,2,0,0,0,0|2,0,0]=4 11846 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,2,0,0,0,0|2,0,0]=4 11847 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,2,0,0,0,0|2,0,0]=4 11848 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,2,0,0,0,0|2,0,0]=4 11849 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,2,0,0,0,0|2,0,0]=4 11850 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,2,0,0,0,0|2,0,0]=4 11851 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,2,0,0,0,0|2,0,0]=4 11852 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,2,0,0,0,0|2,0,0]=4 11853 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,2,0,0,0,0|1,0,0]=3 11854 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,2,0,0,0,0|1,0,0]=3 11855 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,2,0,0,0,0|2,0,0]=4 11856 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,2,0,0,0,0|2,0,0]=4 11857 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,2,0,0,0,0|2,0,0]=4 11858 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,2,0,0,0,0|2,0,0]=4 11859 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,2,0,0,0,0|2,0,0]=4 11860 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,2,0,0,0,0|1,0,0]=3 11861 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,2,0,0,0,0|1,0,0]=3 11862 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,2,0,0,0,0|1,0,0]=3 11863 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,2,0,0,0,0|1,0,0]=3 11864 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,2,0,0,0,0|2,0,0]=4 11865 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,2,0,0,0,0|2,0,0]=4 11866 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,2,0,0,0,0|2,0,0]=4 11867 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,2,0,0,0,0|2,0,0]=4 11868 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,2,0,0,0,0|1,0,0]=3 11869 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,2,0,0,0,0|1,0,0]=3 11870 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,2,0,0,0,0|1,0,0]=3 11871 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,2,0,0,0,0|1,0,0]=3 11872 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,2,0,0,0,0|2,0,0]=4 11873 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,2,0,0,0,0|2,0,0]=4 11874 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,2,0,0,0,0|2,0,0]=4 11875 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,2,0,0,0,0|1,0,0]=3 11876 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,2,0,0,0,0|1,0,0]=3 11877 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,2,0,0,0,0|2,0,0]=4 11878 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,2,0,0,0,0|2,0,0]=4 11879 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,2,0,0,0,0|2,0,0]=4 11880 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,2,0,0,0,0|2,0,0]=4 11881 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,2,0,0,0,0|2,0,0]=4 11882 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,2,0,0,0,0|1,0,0]=3 11883 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,2,0,0,0,0|1,0,0]=3 11884 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,2,0,0,0,0|1,1,0]=4 11885 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,2,0,0,0,0|2,0,0]=4 11886 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,2,0,0,0,0|1,0,0]=3 11887 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,2,0,0,0,0|1,0,0]=3 11888 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,2,0,0,0,0|2,0,0]=4 11889 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,2,0,0,0,0|2,0,0]=4 11890 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,2,0,0,0,0|1,0,0]=3 11891 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,2,0,0,0,0|1,0,0]=3 11892 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,2,0,0,0,0|2,0,0]=4 11893 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,2,0,0,0,0|1,0,0]=3 11894 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,2,0,0,0,0|1,0,0]=3 11895 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,2,0,0,0,0|2,0,0]=4 11896 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,2,0,0,0,0|2,0,0]=4 11897 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,2,0,0,0,0|2,0,0]=4 11898 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,2,0,0,0,0|2,0,0]=4 11899 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,2,0,0,0,0|2,0,0]=4 11900 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,2,0,0,0,0|1,0,0]=3 11901 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,2,0,0,0,0|1,0,0]=3 11902 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,2,0,0,0,0|2,0,0]=4 11903 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,2,0,0,0,0|2,0,0]=4 11904 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,2,0,0,0,0|2,0,0]=4 11905 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,2,0,0,0,0|2,0,0]=4 11906 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,2,0,0,0,0|2,0,0]=4 11907 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,2,0,0,0,0|2,0,0]=4 11908 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,2,0,0,0,0|2,0,0]=4 11909 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,2,0,0,0,0|2,0,0]=4 11910 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,2,0,0,0,0|2,0,0]=4 11911 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,2,0,0,0,0|1,0,0]=3 11912 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,2,0,0,0,0|2,0,0]=4 11913 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,2,0,0,0,0|1,0,0]=3 11914 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,2,0,0,0,0|1,0,0]=3 11915 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,2,0,0,0,0|1,0,0]=3 11916 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,2,0,0,0,0|1,0,0]=3 11917 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,2,0,0,0,0|1,0,0]=3 11918 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,2,0,0,0,0|1,0,0]=3 11919 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,2,0,0,0,0|1,0,0]=3 11920 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,2,0,0,0,0|1,0,0]=3 11921 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,2,0,0,0,0|1,0,0]=3 11922 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,2,0,0,0,0|1,0,0]=3 11923 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,2,0,0,0,0|1,0,0]=3 11924 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,2,0,0,0,0|1,0,0]=3 11925 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,2,0,0,0,0|2,0,0]=4 11926 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,2,0,0,0,0|2,0,0]=4 11927 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,2,0,0,0,0|2,0,0]=4 11928 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,2,0,0,0,0|2,0,0]=4 11929 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,2,0,0,0,0|2,0,0]=4 11930 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,2,0,0,0,0|2,0,0]=4 11931 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,2,0,0,0,0|2,0,0]=4 11932 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,2,0,0,0,0|2,0,0]=4 11933 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,2,0,0,0,0|2,0,0]=4 11934 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,2,0,0,0,0|2,0,0]=4 11935 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,2,0,0,0,0|2,0,0]=4 11936 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,2,0,0,0,0|2,0,0]=4 11937 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,2,0,0,0,0|2,0,0]=4 11938 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,2,0,0,0,0|2,0,0]=4 11939 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,2,0,0,0,0|2,0,0]=4 11940 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,2,0,0,0,0|2,0,0]=4 11941 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,2,0,0,0,0|2,0,0]=4 11942 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,2,0,0,0,0|2,0,0]=4 11943 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,2,0,0,0,0|2,0,0]=4 11944 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,2,0,0,0,0|2,0,0]=4 11945 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,2,0,0,0,0|2,0,0]=4 11946 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,2,0,0,0,0|2,0,0]=4 11947 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,2,0,0,0,0|2,0,0]=4 11948 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,2,0,0,0,0|2,0,0]=4 11949 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,2,0,0,0,0|2,0,0]=4 11950 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,2,0,0,0,0|2,0,0]=4 11951 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,2,0,0,0,0|2,0,0]=4 11952 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,2,0,0,0,0|2,0,0]=4 11953 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,2,0,0,0,0|2,0,0]=4 11954 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,2,0,0,0,0|2,0,0]=4 11955 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,2,0,0,0,0|2,0,0]=4 11956 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,2,0,0,0,0|2,0,0]=4 11957 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,2,0,0,0,0|2,0,0]=4 11958 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,2,0,0,0,0|2,0,0]=4 11959 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,2,0,0,0,0|2,0,0]=4 11960 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,2,0,0,0,0|2,0,0]=4 11961 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,2,0,0,0,0|2,0,0]=4 11962 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,2,0,0,0,0|2,0,0]=4 11963 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,2,0,0,0,0|2,0,0]=4 11964 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,2,0,0,0,0|2,0,0]=4 11965 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,2,0,0,0,0|2,0,0]=4 11966 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,2,0,0,0,0|2,0,0]=4 11967 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,2,0,0,0,0|2,0,0]=4 11968 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,2,0,0,0,0|2,0,0]=4 11969 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,2,0,0,0,0|2,0,0]=4 11970 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,2,0,0,0,0|2,0,0]=4 11971 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,2,0,0,0,0|2,0,0]=4 11972 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,2,0,0,0,0|2,0,0]=4 11973 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,2,0,0,0,0|2,0,0]=4 11974 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,2,0,0,0,0|2,0,0]=4 11975 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,2,0,0,0,0|2,0,0]=4 11976 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,2,0,0,0,0|2,0,0]=4 11977 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,2,0,0,0,0|2,0,0]=4 11978 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,2,0,0,0,0|2,0,0]=4 11979 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,2,0,0,0,0|2,0,0]=4 11980 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,2,0,0,0,0|2,0,0]=4 11981 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,2,0,0,0,0|2,0,0]=4 11982 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,2,0,0,0,0|2,0,0]=4 11983 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,2,0,0,0,0|2,0,0]=4 11984 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,2,0,0,0,0|2,0,0]=4 11985 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,2,0,0,0,0|2,0,0]=4 11986 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,2,0,0,0,0|2,0,0]=4 11987 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,2,0,0,0,0|2,0,0]=4 11988 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,2,0,0,0,0|2,0,0]=4 11989 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,2,0,0,0,0|2,0,0]=4 11990 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,2,0,0,0,0|2,0,0]=4 11991 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,2,0,0,0,0|2,0,0]=4 11992 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,2,0,0,0,0|2,0,0]=4 11993 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,2,0,0,0,0|2,0,0]=4 11994 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,2,0,0,0,0|2,0,0]=4 11995 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,2,0,0,0,0|2,0,0]=4 11996 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,2,0,0,0,0|2,0,0]=4 11997 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,2,0,0,0,0|1,0,0]=3 11998 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,2,0,0,0,0|2,0,0]=4 11999 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,2,0,0,0,0|2,0,0]=4 12000 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,2,0,0,0,0|2,0,0]=4 12001 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,2,0,0,0,0|2,0,0]=4 12002 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,2,0,0,0,0|2,0,0]=4 12003 B11R0.4 CCOCCNCC(=O)NCO 2230a_102516460346_100000185155 [0,2,0,0,0,0|2,0,0]=4 12004 B11R0.4 CCOCCNCC(=O)NCO 34a_102516460346_100000185155 [0,2,0,0,0,0|2,0,0]=4 12005 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,2,0,0,0,0|2,0,0]=4 12006 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,2,0,0,0,0|2,0,0]=4 12007 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,2,0,0,0,0|2,0,0]=4 12008 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,2,0,0,0,0|2,0,0]=4 12009 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,2,0,0,0,0|2,0,0]=4 12010 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,2,0,0,0,0|2,0,0]=4 12011 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,2,0,0,0,0|2,0,0]=4 12012 B11R0.4 CCOCCSCC(=O)NCO 62a_100000185155_100011215890 [0,2,0,0,0,0|2,0,0]=4 12013 B11R0.4 CCOCCSCC(=O)NCO 62a_100000210147_100000185155 [0,2,0,0,0,0|2,0,0]=4 12014 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,2,0,0,0,0|2,0,0]=4 12015 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,2,0,0,0,0|2,0,0]=4 12016 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,2,0,0,0,0|2,0,0]=4 12017 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,2,0,0,0,0|2,0,0]=4 12018 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,2,0,0,0,0|2,0,0]=4 12019 B11R0.4 CCSCCNCC(=O)NCO 2230a_100000106463_100000185155 [0,2,0,0,0,0|2,0,0]=4 12020 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,2,0,0,0,0|2,0,0]=4 12021 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,2,0,0,0,0|2,0,0]=4 12022 B11R0.4 CCSCCSCC(=O)NCO 62a_100000185155_100000757381 [0,2,0,0,0,0|2,0,0]=4 12023 B11R0.4 CCSCCSCC(=O)NCO 62a_100000757381_100000185155 [0,2,0,0,0,0|2,0,0]=4 12024 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,2,0,0,0,0|2,0,0]=4 12025 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,2,0,0,0,0|2,0,0]=4 12026 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,2,0,0,0,0|1,0,1]=4 12027 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,2,0,0,0,0|1,0,0]=3 12028 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,2,0,0,0,0|1,0,0]=3 12029 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,2,0,0,0,0|2,0,0]=4 12030 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,2,0,0,0,0|2,0,0]=4 12031 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,2,0,0,0,0|2,0,0]=4 12032 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|1,0,0]=3 12033 B11R0.4 COCCCNCC(=O)NCO 34a_100150723488_100000185155 [0,2,0,0,0,0|2,0,0]=4 12034 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,2,0,0,0,0|2,0,0]=4 12035 B11R0.4 COCCCSCC(=O)NCO 62a_100000185155_100000709357 [0,2,0,0,0,0|2,0,0]=4 12036 B11R0.4 COCCCSCC(=O)NCO 62a_100000709357_100000185155 [0,2,0,0,0,0|2,0,0]=4 12037 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,2,0,0,0,0|2,0,0]=4 12038 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,2,0,0,0,0|2,0,0]=4 12039 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,2,0,0,0,0|2,0,0]=4 12040 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,2,0,0,0,0|1,1,0]=4 12041 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,2,0,0,0,0|1,1,0]=4 12042 B11R0.4 CSCCCNCC(=O)NCO 2230a_100000749238_100000185155 [0,2,0,0,0,0|2,0,0]=4 12043 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,2,0,0,0,0|2,0,0]=4 12044 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,2,0,0,0,0|2,0,0]=4 12045 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,2,0,0,0,0|2,0,0]=4 12046 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,2,0,0,0,0|2,0,0]=4 12047 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,2,0,0,0,0|2,0,0]=4 12048 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,2,0,0,0,0|1,0,1]=4 12049 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 12050 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,2,0,0,0,0|2,0,0]=4 12051 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,2,0,0,0,0|2,0,0]=4 12052 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,2,0,0,0,0|2,0,0]=4 12053 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,2,0,0,0,0|2,0,0]=4 12054 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,2,0,0,0,0|2,0,0]=4 12055 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,2,0,0,0,0|2,0,0]=4 12056 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,2,0,0,0,0|2,0,0]=4 12057 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,2,0,0,0,0|1,0,0]=3 12058 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|1,0,0]=3 12059 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|1,0,0]=3 12060 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,2,0,0,0,0|2,0,0]=4 12061 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 12062 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 12063 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,2,0,0,0,0|2,0,0]=4 12064 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 12065 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 12066 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,2,0,0,0,0|2,0,0]=4 12067 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,2,0,0,0,0|2,0,0]=4 12068 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,2,0,0,0,0|2,0,0]=4 12069 B11R0.4 O=C(CSCCCCF)NCO 62a_100000185155_100000729493 [0,2,0,0,0,0|2,0,0]=4 12070 B11R0.4 O=C(CSCCCCF)NCO 62a_100000729493_100000185155 [0,2,0,0,0,0|2,0,0]=4 12071 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,2,0,0,0,0|2,0,0]=4 12072 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 12073 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [0,2,0,0,0,0|1,0,1]=4 12074 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,2,0,0,0,0|0,0,1]=3 12075 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [0,2,0,0,0,0|1,0,1]=4 12076 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [0,2,0,0,0,0|1,0,1]=4 12077 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,2,0,0,0,0|1,0,0]=3 12078 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,2,0,0,0,0|1,0,0]=3 12079 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,2,0,0,0,0|1,0,0]=3 12080 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,2,0,0,0,0|1,0,0]=3 12081 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,2,0,0,0,0|1,0,0]=3 12082 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,2,0,0,0,0|1,0,0]=3 12083 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [0,2,0,0,0,0|2,0,0]=4 12084 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [0,2,0,0,0,0|2,0,0]=4 12085 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [0,2,0,0,0,0|2,0,0]=4 12086 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [0,2,0,0,0,0|1,0,0]=3 12087 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,2,0,0,0,0|2,0,0]=4 12088 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,2,0,0,0,0|2,0,0]=4 12089 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [0,2,0,0,0,0|2,0,0]=4 12090 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [0,2,0,0,0,0|2,0,0]=4 12091 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [0,2,0,0,0,0|2,0,0]=4 12092 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,2,0,0,0,0|1,0,0]=3 12093 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,2,0,0,0,0|1,0,0]=3 12094 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,2,0,0,0,0|2,0,0]=4 12095 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,2,0,0,0,0|2,0,0]=4 12096 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [0,2,0,0,0,0|2,0,0]=4 12097 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [0,2,0,0,0,0|2,0,0]=4 12098 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [0,2,0,0,0,0|1,0,0]=3 12099 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [0,2,0,0,0,0|1,0,0]=3 12100 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [0,2,0,0,0,0|2,0,0]=4 12101 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [0,2,0,0,0,0|2,0,0]=4 12102 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [0,2,0,0,0,0|2,0,0]=4 12103 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [0,2,0,0,0,0|2,0,0]=4 12104 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [0,2,0,0,0,0|1,0,0]=3 12105 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [0,2,0,0,0,0|1,0,0]=3 12106 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [0,2,0,0,0,0|1,0,0]=3 12107 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [0,2,0,0,0,0|1,0,1]=4 12108 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [0,2,0,0,0,0|1,0,1]=4 12109 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [0,2,0,0,0,0|1,0,1]=4 12110 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [0,2,0,0,0,0|1,0,1]=4 12111 B11R0.70 CCCOC(C)CNC(=O)CO 240690a_100015185124_100000210174 [0,2,0,0,0,0|2,0,0]=4 12112 B11R0.70 CCCOC(C)CNC(=O)CO 527a_100015185124_100000210174 [0,2,0,0,0,0|2,0,0]=4 12113 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [0,2,0,0,0,0|1,0,1]=4 12114 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,2,0,0,0,0|1,0,1]=4 12115 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [0,2,0,0,0,0|2,0,0]=4 12116 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [0,2,0,0,0,0|2,0,0]=4 12117 B11R0.70 CCOCC(O)CNC(=O)CO 240690a_102515437182_100000210174 [0,2,0,0,0,0|2,0,0]=4 12118 B11R0.70 CCOCC(O)CNC(=O)CO 527a_102515437182_100000210174 [0,2,0,0,0,0|2,0,0]=4 12119 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [0,2,0,0,0,0|2,0,0]=4 12120 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [0,2,0,0,0,0|1,0,1]=4 12121 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [0,2,0,0,0,0|1,0,1]=4 12122 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [0,2,0,0,0,0|1,0,1]=4 12123 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [0,2,0,0,0,0|1,0,1]=4 12124 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [0,2,0,0,0,0|1,0,1]=4 12125 B11R0.70 COC(=O)CCN(C)CCCF 269982a_100025711912_100011934791 [0,2,0,0,0,0|2,0,0]=4 12126 B11R0.70 COC(=O)CCN(C)CCCO 2230a_100000213112_100000204255 [0,2,0,0,0,0|2,0,0]=4 12127 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100000213112_100000204255 [0,2,0,0,0,0|2,0,0]=4 12128 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100025711912_100011215043 [0,2,0,0,0,0|2,0,0]=4 12129 B11R0.70 COC(=O)CCN(C)CCSC 2230a_100000686725_100000204255 [0,2,0,0,0,0|2,0,0]=4 12130 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100000686725_100000204255 [0,2,0,0,0,0|2,0,0]=4 12131 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100025711912_100000212216 [0,2,0,0,0,0|2,0,0]=4 12132 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [0,2,0,0,0,0|2,0,0]=4 12133 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [0,2,0,0,0,0|2,0,0]=4 12134 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [0,2,0,0,0,0|1,0,1]=4 12135 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [0,2,0,0,0,0|2,0,0]=4 12136 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [0,2,0,0,0,0|2,0,0]=4 12137 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [0,2,0,0,0,0|2,0,0]=4 12138 B11R0.70 C[C@H](CCCO)CNC(=O)CO 240690a_100160569302_100000210174 [0,2,0,0,0,0|2,0,0]=4 12139 B11R0.70 C[C@H](CCCO)CNC(=O)CO 527a_100160569302_100000210174 [0,2,0,0,0,0|2,0,0]=4 12140 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,2,0,0,0,0|1,0,1]=4 12141 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,2,0,0,0,0|1,0,1]=4 12142 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,2,0,0,0,0|1,0,1]=4 12143 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,2,0,0,0,0|1,0,1]=4 12144 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,2,0,0,0,0|1,0,1]=4 12145 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,2,0,0,0,0|1,0,1]=4 12146 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,2,0,0,0,0|1,0,1]=4 12147 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,2,0,0,0,0|1,0,1]=4 12148 B11R0.142 C#CC(=O)C(C)CCCCCC 1458a_100000211873_100011215978 [0,2,0,0,0,0|1,0,0]=3 12149 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [0,2,0,0,0,0|1,0,1]=4 12150 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [0,2,0,0,0,0|1,0,1]=4 12151 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [0,2,0,0,0,0|1,0,1]=4 12152 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,2,0,0,0,0|1,0,0]=3 12153 B11R0.142 C=CC(=O)N(C)CCCCCC 1626a_106256046315_100000185746 [0,2,0,0,0,0|2,0,0]=4 12154 B11R0.142 C=CC(=O)N(C)CCCCCC 240690a_106256046315_200121576911 [0,2,0,0,0,0|2,0,0]=4 12155 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,2,0,0,0,0|1,0,1]=4 12156 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|1,0,0]=3 12157 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|0,0,0]=2 12158 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|1,0,0]=3 12159 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,2,0,0,0,0|1,0,0]=3 12160 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,2,0,0,0,0|1,0,0]=3 12161 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 12162 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 12163 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 12164 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,2,0,0,0,0|2,0,0]=4 12165 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,2,0,0,0,0|1,0,0]=3 12166 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,2,0,0,0,0|1,0,0]=3 12167 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [0,2,0,0,0,0|2,0,0]=4 12168 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [0,2,0,0,0,0|2,0,0]=4 12169 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 12170 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 12171 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 12172 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 12173 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,2,0,0,0,0|2,0,0]=4 12174 B11R0.142 CCCCCNC(C)C(=O)NC 2230a_100000209983_100000731044 [0,2,0,0,0,0|2,0,0]=4 12175 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,2,0,0,0,0|1,0,0]=3 12176 B11R0.142 CCCCCNC(F)C(=O)NC 2230a_100000209983_100009813575 [0,2,0,0,0,0|2,0,0]=4 12177 B11R0.142 CCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210326 [0,2,0,0,0,0|2,0,0]=4 12178 B11R0.142 CCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000718602 [0,2,0,0,0,0|2,0,0]=4 12179 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,2,0,0,0,0|2,0,0]=4 12180 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [0,2,0,0,0,0|2,0,0]=4 12181 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [0,2,0,0,0,0|2,0,0]=4 12182 B11R0.142 CCCCCOC(C)C(=O)NN 34a_100000725659_100000718602 [0,2,0,0,0,0|2,0,0]=4 12183 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,2,0,0,0,0|1,0,0]=3 12184 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,2,0,0,0,0|1,0,0]=3 12185 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,2,0,0,0,0|1,0,0]=3 12186 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [0,2,0,0,0,0|2,0,0]=4 12187 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [0,2,0,0,0,0|2,0,0]=4 12188 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,2,0,0,0,0|2,0,0]=4 12189 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,2,0,0,0,0|2,0,0]=4 12190 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000209862_100000210326 [0,2,0,0,0,0|2,0,0]=4 12191 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000210326_100000731044 [0,2,0,0,0,0|2,0,0]=4 12192 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,2,0,0,0,0|1,0,0]=3 12193 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,2,0,0,0,0|1,0,0]=3 12194 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100000210326_100009813575 [0,2,0,0,0,0|2,0,0]=4 12195 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100009813575_100000210326 [0,2,0,0,0,0|2,0,0]=4 12196 B11R0.142 CCCCNCC(C)C(=O)NC 2230a_100015187722_100000210211 [0,2,0,0,0,0|2,0,0]=4 12197 B11R0.142 CCCCNCC(C)C(=O)NC 34a_100015187722_100000210210 [0,2,0,0,0,0|2,0,0]=4 12198 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,2,0,0,0,0|1,0,1]=4 12199 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,2,0,0,0,0|1,0,0]=3 12200 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,2,0,0,0,0|1,0,0]=3 12201 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,2,0,0,0,0|1,0,0]=3 12202 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,2,0,0,0,0|1,0,0]=3 12203 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,2,0,0,0,0|2,0,0]=4 12204 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,2,0,0,0,0|1,0,0]=3 12205 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,2,0,0,0,0|1,0,1]=4 12206 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,2,0,0,0,0|1,0,1]=4 12207 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,2,0,0,0,0|1,0,0]=3 12208 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,2,0,0,0,0|1,0,0]=3 12209 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,2,0,0,0,0|1,0,0]=3 12210 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,2,0,0,0,0|1,0,0]=3 12211 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,2,0,0,0,0|1,0,0]=3 12212 B11R0.142 CCOCCNC(C)C(=O)OC 2230a_102516460346_100000211248 [0,2,0,0,0,0|2,0,0]=4 12213 B11R0.142 CCOCCNC(C)C(=O)OC 34a_102516460346_100000211248 [0,2,0,0,0,0|2,0,0]=4 12214 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100000210136_100000211248 [0,2,0,0,0,0|2,0,0]=4 12215 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100011215400_100000210147 [0,2,0,0,0,0|2,0,0]=4 12216 B11R0.142 CCOCCOC(C)C(=O)OC 7a_100000210136_100000211248 [0,2,0,0,0,0|2,0,0]=4 12217 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000210147_100000211248 [0,2,0,0,0,0|2,0,0]=4 12218 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000211248_100011215890 [0,2,0,0,0,0|2,0,0]=4 12219 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000698445_100000739092 [0,2,0,0,0,0|2,0,0]=4 12220 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000739092_100000698445 [0,2,0,0,0,0|2,0,0]=4 12221 B11R0.142 CCSCCNC(C)C(=O)OC 2230a_100000106463_100000211248 [0,2,0,0,0,0|2,0,0]=4 12222 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100000212035_100000211248 [0,2,0,0,0,0|2,0,0]=4 12223 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100011215400_100000757381 [0,2,0,0,0,0|2,0,0]=4 12224 B11R0.142 CCSCCOC(C)C(=O)OC 7a_100000212035_100000211248 [0,2,0,0,0,0|2,0,0]=4 12225 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000211248_100000757381 [0,2,0,0,0,0|2,0,0]=4 12226 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000757381_100000211248 [0,2,0,0,0,0|2,0,0]=4 12227 B11R0.142 CN(CCCCCO)C(=O)CO 240690a_100000722520_100000210174 [0,2,0,0,0,0|2,0,0]=4 12228 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,2,0,0,0,0|2,0,0]=4 12229 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [0,2,0,0,0,0|2,0,0]=4 12230 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,2,0,0,0,0|2,0,0]=4 12231 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,2,0,0,0,0|2,0,0]=4 12232 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [0,2,0,0,0,0|2,0,0]=4 12233 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [0,2,0,0,0,0|2,0,0]=4 12234 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,2,0,0,0,0|2,0,0]=4 12235 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,2,0,0,0,0|2,0,0]=4 12236 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,2,0,0,0,0|2,0,0]=4 12237 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,2,0,0,0,0|2,0,0]=4 12238 B11R0.142 COC(=O)C(C)CCSCSC 62a_100000034942_100011218213 [0,2,0,0,0,0|2,0,0]=4 12239 B11R0.142 COC(=O)C(C)CCSCSC 62a_100011218213_100000034942 [0,2,0,0,0,0|2,0,0]=4 12240 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [0,2,0,0,0,0|2,0,0]=4 12241 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [0,2,0,0,0,0|2,0,0]=4 12242 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [0,2,0,0,0,0|2,0,0]=4 12243 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [0,2,0,0,0,0|2,0,0]=4 12244 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [0,2,0,0,0,0|2,0,0]=4 12245 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [0,2,0,0,0,0|2,0,0]=4 12246 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [0,2,0,0,0,0|2,0,0]=4 12247 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,2,0,0,0,0|2,0,0]=4 12248 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,2,0,0,0,0|2,0,0]=4 12249 B11R0.142 COC(=O)C(C)COCCSC 34a_100000230434_100000698445 [0,2,0,0,0,0|2,0,0]=4 12250 B11R0.142 COC(=O)C(C)COCCSC 34a_100000749362_100000212216 [0,2,0,0,0,0|2,0,0]=4 12251 B11R0.142 COC(=O)C(C)COCCSC 7a_100000749362_100000212216 [0,2,0,0,0,0|2,0,0]=4 12252 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,2,0,0,0,0|2,0,0]=4 12253 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,2,0,0,0,0|2,0,0]=4 12254 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,2,0,0,0,0|2,0,0]=4 12255 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,2,0,0,0,0|2,0,0]=4 12256 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000212216_100000698445 [0,2,0,0,0,0|2,0,0]=4 12257 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000698445_100000751147 [0,2,0,0,0,0|2,0,0]=4 12258 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 12259 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 12260 B11R0.142 COC(=O)C(C)NCCCSC 2230a_100000749238_100000211248 [0,2,0,0,0,0|2,0,0]=4 12261 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,2,0,0,0,0|2,0,0]=4 12262 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 12263 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 12264 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,2,0,0,0,0|2,0,0]=4 12265 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 12266 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 12267 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,2,0,0,0,0|2,0,0]=4 12268 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 12269 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,2,0,0,0,0|2,0,0]=4 12270 B11R0.142 COC(=O)C(C)OCCCSC 34a_100000690336_100000211248 [0,2,0,0,0,0|2,0,0]=4 12271 B11R0.142 COC(=O)C(C)OCCCSC 7a_100000690336_100000211248 [0,2,0,0,0,0|2,0,0]=4 12272 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,2,0,0,0,0|2,0,0]=4 12273 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,2,0,0,0,0|2,0,0]=4 12274 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 12275 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,2,0,0,0,0|2,0,0]=4 12276 B11R0.142 COC(=O)C(F)COCCCF 34a_200009849844_100011934791 [0,2,0,0,0,0|2,0,0]=4 12277 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [0,2,0,0,0,0|2,0,0]=4 12278 B11R0.142 COC(=O)C(F)COCCSC 34a_200009849844_100000212216 [0,2,0,0,0,0|2,0,0]=4 12279 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,2,0,0,0,0|2,0,0]=4 12280 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,2,0,0,0,0|2,0,0]=4 12281 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,2,0,0,0,0|2,0,0]=4 12282 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [0,2,0,0,0,0|2,0,0]=4 12283 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [0,2,0,0,0,0|2,0,0]=4 12284 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [0,2,0,0,0,0|2,0,0]=4 12285 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [0,2,0,0,0,0|2,0,0]=4 12286 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [0,2,0,0,0,0|2,0,0]=4 12287 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [0,2,0,0,0,0|2,0,0]=4 12288 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [0,2,0,0,0,0|2,0,0]=4 12289 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [0,2,0,0,0,0|2,0,0]=4 12290 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [0,2,0,0,0,0|2,0,0]=4 12291 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,2,0,0,0,0|2,0,0]=4 12292 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [0,2,0,0,0,0|2,0,0]=4 12293 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [0,2,0,0,0,0|2,0,0]=4 12294 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [0,2,0,0,0,0|2,0,0]=4 12295 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [0,2,0,0,0,0|2,0,0]=4 12296 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 269956a_100016992060_100000210326 [0,2,0,0,0,0|1,0,0]=3 12297 B11R0.76 C=C[C@H](NCCCCF)C(=O)O 269956a_100016992060_100000729493 [0,2,0,0,0,0|2,0,0]=4 12298 B11R0.76 C=C[C@H](NCCCCO)C(=O)O 269956a_100016992060_100000210776 [0,2,0,0,0,0|2,0,0]=4 12299 B11R0.76 C=C[C@H](NCCCOC)C(=O)O 269956a_100016992060_100000740836 [0,2,0,0,0,0|2,0,0]=4 12300 B11R0.76 C=C[C@H](NCCOCC)C(=O)O 269956a_100016992060_100000210147 [0,2,0,0,0,0|2,0,0]=4 12301 B11R0.76 C=C[C@H](NCCSCC)C(=O)O 269956a_100016992060_100000757381 [0,2,0,0,0,0|2,0,0]=4 12302 B11R0.76 CCCCCNC(C#N)C(=O)N 2230a_100000039599_100000210326 [0,2,0,0,0,0|2,0,0]=4 12303 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000209983_100000750255 [0,2,0,0,0,0|2,0,0]=4 12304 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000733705_100000210326 [0,2,0,0,0,0|2,0,0]=4 12305 B11R0.76 CCCCCNC(CC)C(=O)N 34a_100000733705_100000718602 [0,2,0,0,0,0|2,0,0]=4 12306 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,2,0,0,0,0|1,0,0]=3 12307 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210326 [0,2,0,0,0,0|2,0,0]=4 12308 B11R0.76 CCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000718602 [0,2,0,0,0,0|2,0,0]=4 12309 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|1,0,0]=3 12310 B11R0.76 CCCCCOC(CC)C(=O)N 34a_100000210253_100000750255 [0,2,0,0,0,0|2,0,0]=4 12311 B11R0.76 CCCCCOC(CC)C(=O)N 7a_100000210253_100000750255 [0,2,0,0,0,0|2,0,0]=4 12312 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000210326_100000750255 [0,2,0,0,0,0|2,0,0]=4 12313 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000750255_100000210326 [0,2,0,0,0,0|2,0,0]=4 12314 B11R0.76 CCOCCNC(CO)C(=O)O 269956a_100000187304_100000210147 [0,2,0,0,0,0|2,0,0]=4 12315 B11R0.76 CCOCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210147 [0,2,0,0,0,0|2,0,0]=4 12316 B11R0.76 CCSCCNC(CO)C(=O)O 269956a_100000187304_100000757381 [0,2,0,0,0,0|2,0,0]=4 12317 B11R0.76 CCSCCN[C@H](CC)C(=O)O 269956a_100000747097_100000757381 [0,2,0,0,0,0|2,0,0]=4 12318 B11R0.76 CC[C@@H](NCCCCF)C(=O)O 269956a_100000747097_100000729493 [0,2,0,0,0,0|2,0,0]=4 12319 B11R0.76 CC[C@@H](NCCCCO)C(=O)O 269956a_100000747097_100000210776 [0,2,0,0,0,0|2,0,0]=4 12320 B11R0.76 CC[C@@H](NCCCOC)C(=O)O 269956a_100000747097_100000740836 [0,2,0,0,0,0|2,0,0]=4 12321 B11R0.76 COCCCNC(CO)C(=O)O 269956a_100000187304_100000740836 [0,2,0,0,0,0|2,0,0]=4 12322 B11R0.76 O=C(O)C(CO)NCCCCF 269956a_100000187304_100000729493 [0,2,0,0,0,0|2,0,0]=4 12323 B11R0.76 O=C(O)C(CO)NCCCCO 269956a_100000187304_100000210776 [0,2,0,0,0,0|2,0,0]=4 12324 B11R0.125 CC(C)(CNCCCF)C(=O)O 269956a_100000693527_100011934791 [0,2,0,0,0,0|2,0,0]=4 12325 B11R0.125 CC(C)(CNCCCO)C(=O)O 269956a_100000693527_100011215043 [0,2,0,0,0,0|2,0,0]=4 12326 B11R0.125 CCCCCCC(C)(C)C(=O)C 1458a_100011290782_200000210301 [0,2,0,0,0,0|1,0,0]=3 12327 B11R0.125 CCCCCCC(C)(C)C(=O)[13CH3] 1458a_100011290782_200025704644 [0,2,0,0,0,0|1,0,0]=3 12328 B11R0.125 CCCCCNC(C)(C)C(=O)N 2230a_100000209983_100000702505 [0,2,0,0,0,0|2,0,0]=4 12329 B11R0.125 CCCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210326 [0,2,0,0,0,0|2,0,0]=4 12330 B11R0.125 CCCCCNC(C)(C)C(=O)N 34a_100000743658_100000718602 [0,2,0,0,0,0|2,0,0]=4 12331 B11R0.125 CCCCCOC(C)(C)C(=O)C 34a_100000747739_100000718602 [0,2,0,0,0,0|2,0,0]=4 12332 B11R0.125 CCCCCOC(C)(C)C(=O)C 7a_100000210253_100000075568 [0,2,0,0,0,0|2,0,0]=4 12333 B11R0.125 CCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210326 [0,2,0,0,0,0|2,0,0]=4 12334 B11R0.125 CCCCCOC(C)(C)C(=O)N 34a_100000210253_100000702505 [0,2,0,0,0,0|2,0,0]=4 12335 B11R0.125 CCCCCOC(C)(C)C(=O)N 34a_100011626353_100000718602 [0,2,0,0,0,0|2,0,0]=4 12336 B11R0.125 CCCCCOC(C)(C)C(=O)N 7a_100000210253_100000702505 [0,2,0,0,0,0|2,0,0]=4 12337 B11R0.125 CCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210326 [0,2,0,0,0,0|2,0,0]=4 12338 B11R0.125 CCCCCOC(F)(F)C(=O)N 7a_100000210253_100009811971 [0,2,0,0,0,0|2,0,0]=4 12339 B11R0.125 CCCCCOC(F)(F)C(=O)[O-] 34a_100000210253_100020612412 [0,2,0,0,0,0|1,0,1]=4 12340 B11R0.125 CCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210326 [0,2,0,0,0,0|2,0,0]=4 12341 B11R0.125 CCCCCSC(C)(C)C(=O)C 62a_100000210326_100000075568 [0,2,0,0,0,0|2,0,0]=4 12342 B11R0.125 CCCCCSC(C)(C)C(=O)N 62a_100000210326_100000702505 [0,2,0,0,0,0|2,0,0]=4 12343 B11R0.125 CCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210326 [0,2,0,0,0,0|2,0,0]=4 12344 B11R0.125 CCCCCSC(F)(F)C(=O)N 62a_100000210326_100009811971 [0,2,0,0,0,0|2,0,0]=4 12345 B11R0.125 CCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210326 [0,2,0,0,0,0|2,0,0]=4 12346 B11R0.125 CCCCCSC(F)(F)C(=O)[O-] 62a_100000210326_100000745680 [0,2,0,0,0,0|1,0,1]=4 12347 B11R0.125 CCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210326 [0,2,0,0,0,0|1,0,1]=4 12348 B11R0.125 CCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210211 [0,2,0,0,0,0|2,0,0]=4 12349 B11R0.125 CCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210210 [0,2,0,0,0,0|2,0,0]=4 12350 B11R0.125 CCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210211 [0,2,0,0,0,0|1,0,0]=3 12351 B11R0.125 CCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210211 [0,2,0,0,0,0|1,0,0]=3 12352 B11R0.125 CCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210211 [0,2,0,0,0,0|2,0,0]=4 12353 B11R0.125 CCCCOCC(C)(C)C(=O)N 34a_100000210227_200009895572 [0,2,0,0,0,0|2,0,0]=4 12354 B11R0.125 CCCCSCC(C)(C)C(=O)N 62a_100000210211_200009895572 [0,2,0,0,0,0|2,0,0]=4 12355 B11R0.125 CCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210210 [0,2,0,0,0,0|2,0,0]=4 12356 B11R0.125 CCOCNCC(C)(C)C(=O)O 269956a_100000693527_100000739092 [0,2,0,0,0,0|2,0,0]=4 12357 B11R0.125 CCOCNCC(F)(F)C(=O)O 269956a_100000734215_100000739092 [0,2,0,0,0,0|2,0,0]=4 12358 B11R0.125 COCCNCC(C)(C)C(=O)O 269956a_100000693527_100000233755 [0,2,0,0,0,0|2,0,0]=4 12359 B11R0.125 COCCNCC(F)(F)C(=O)O 269956a_100000734215_100000233755 [0,2,0,0,0,0|2,0,0]=4 12360 B11R0.125 CSCCNCC(C)(C)C(=O)O 269956a_100000693527_100000212216 [0,2,0,0,0,0|2,0,0]=4 12361 B11R0.125 CSCCNCC(F)(F)C(=O)O 269956a_100000734215_100000212216 [0,2,0,0,0,0|2,0,0]=4 12362 B11R0.125 O=C(O)C(F)(F)CNCCCF 269956a_100000734215_100011934791 [0,2,0,0,0,0|2,0,0]=4 12363 B11R0.125 O=C(O)C(F)(F)CNCCCO 269956a_100000734215_100011215043 [0,2,0,0,0,0|2,0,0]=4 12364 B11R0.163 CCCCC(C)NC(C)C(=O)C 2230a_100000126638_100009814033 [0,2,0,0,0,0|2,0,0]=4 12365 B11R0.163 CCCCC(C)NC(C)C(=O)N 2230a_100000126638_100000702099 [0,2,0,0,0,0|2,0,0]=4 12366 B11R0.163 CCCCC(C)NC(F)C(=O)N 2230a_100000126638_100009813875 [0,2,0,0,0,0|2,0,0]=4 12367 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,2,0,0,0,0|1,0,0]=3 12368 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011215066 [0,2,0,0,0,0|2,0,0]=4 12369 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210087 [0,2,0,0,0,0|2,0,0]=4 12370 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011215066 [0,2,0,0,0,0|2,0,0]=4 12371 B11R0.163 CCCCC(C)OC(C)C(=O)C 34a_100000212229_200011215066 [0,2,0,0,0,0|2,0,0]=4 12372 B11R0.163 CCCCC(C)OC(C)C(=O)C 7a_100000687866_100000179758 [0,2,0,0,0,0|2,0,0]=4 12373 B11R0.163 CCCCC(C)OC(C)C(=O)N 34a_100000687866_100000702099 [0,2,0,0,0,0|2,0,0]=4 12374 B11R0.163 CCCCC(C)OC(C)C(=O)N 7a_100000687866_100000702099 [0,2,0,0,0,0|2,0,0]=4 12375 B11R0.163 CCCCC(C)OC(F)C(=O)N 34a_100000687866_100009813875 [0,2,0,0,0,0|2,0,0]=4 12376 B11R0.163 CCCCC(C)OC(F)C(=O)N 7a_100000687866_100009813875 [0,2,0,0,0,0|2,0,0]=4 12377 B11R0.163 CCCCC(C)OC(F)C(=O)[O-] 34a_100000687866_100020610796 [0,2,0,0,0,0|1,0,1]=4 12378 B11R0.163 CCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011215066 [0,2,0,0,0,0|1,0,1]=4 12379 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011215066 [0,2,0,0,0,0|2,0,0]=4 12380 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011215066 [0,2,0,0,0,0|2,0,0]=4 12381 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_100009814033_200011215066 [0,2,0,0,0,0|2,0,0]=4 12382 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_200011215066_100009814033 [0,2,0,0,0,0|2,0,0]=4 12383 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_100000702099_200011215066 [0,2,0,0,0,0|2,0,0]=4 12384 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_200011215066_100000702099 [0,2,0,0,0,0|2,0,0]=4 12385 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_100009813875_200011215066 [0,2,0,0,0,0|2,0,0]=4 12386 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_200011215066_100009813875 [0,2,0,0,0,0|2,0,0]=4 12387 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_200011215066 [0,2,0,0,0,0|1,0,1]=4 12388 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_200011215066_100020610796 [0,2,0,0,0,0|1,0,1]=4 12389 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [0,2,0,0,0,0|2,0,0]=4 12390 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [0,2,0,0,0,0|2,0,0]=4 12391 B11R0.85 CC(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000210312 [0,2,0,0,0,0|1,0,1]=4 12392 B11R0.85 CC(C)CCC(C)NCC(=O)N 2230a_100000711301_100011261404 [0,2,0,0,0,0|2,0,0]=4 12393 B11R0.85 CC(C)CCC(C)NCC(=O)N 2230a_100138410893_100000747473 [0,2,0,0,0,0|2,0,0]=4 12394 B11R0.85 CC(C)CCC(C)NCC(=O)O 269956a_100016091260_100011261404 [0,2,0,0,0,0|1,0,0]=3 12395 B11R0.85 CC(C)CCC(C)OCC(=O)N 34a_100011215350_100000187820 [0,2,0,0,0,0|2,0,0]=4 12396 B11R0.85 CC(C)CCC(C)OCC(=O)N 7a_100011215350_100000187820 [0,2,0,0,0,0|2,0,0]=4 12397 B11R0.85 CC(C)CCC(C)OCC(=O)[O-] 34a_100011215350_100020667443 [0,2,0,0,0,0|1,0,1]=4 12398 B11R0.85 CC(C)CCC(C)SCC(=O)N 62a_100000747473_100011261404 [0,2,0,0,0,0|2,0,0]=4 12399 B11R0.85 CC(C)CCC(C)SCC(=O)N 62a_100011261404_100000747473 [0,2,0,0,0,0|2,0,0]=4 12400 B11R0.85 CC(C)CCC(C)SCC(=O)[O-] 62a_100011261404_100020667443 [0,2,0,0,0,0|1,0,1]=4 12401 B11R0.85 CC(C)CCC(C)SCC(=O)[O-] 62a_100020667443_100011261404 [0,2,0,0,0,0|1,0,1]=4 12402 B11R0.85 CC(C)CCN(C)CCC(=O)N 2230a_100000730477_100000210312 [0,2,0,0,0,0|2,0,0]=4 12403 B11R0.85 CC(C)CCN(C)CCC(=O)N 2230a_100000742789_100000744528 [0,2,0,0,0,0|2,0,0]=4 12404 B11R0.85 CC(C)CCN(C)CCC(=O)N 269982a_100000742789_100000744528 [0,2,0,0,0,0|2,0,0]=4 12405 B11R0.85 CC(O)CCC(=O)CCC(=O)N 1458a_100011215257_100012276601 [0,2,0,0,0,0|1,0,1]=4 12406 B11R0.85 CC(O)CCN(C)CCC(=O)N 2230a_100000730477_100012276601 [0,2,0,0,0,0|2,0,0]=4 12407 B11R0.164 C#CC(CCCC)OCC(=O)N 34a_200011217967_100000187820 [0,2,0,0,0,0|2,0,0]=4 12408 B11R0.164 C#CC(CCCC)OCC(=O)N 7a_200011217967_100000187820 [0,2,0,0,0,0|2,0,0]=4 12409 B11R0.164 C#CC(CCCC)OCC(=O)[O-] 34a_200011217967_100020667443 [0,2,0,0,0,0|1,0,1]=4 12410 B11R0.164 C=CC(CCCC)OCC(=O)N 34a_200011215037_100000187820 [0,2,0,0,0,0|2,0,0]=4 12411 B11R0.164 C=CC(CCCC)OCC(=O)N 7a_200011215037_100000187820 [0,2,0,0,0,0|2,0,0]=4 12412 B11R0.164 C=CC(CCCC)OCC(=O)[O-] 34a_200011215037_100020667443 [0,2,0,0,0,0|1,0,1]=4 12413 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [0,2,0,0,0,0|1,0,0]=3 12414 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [0,2,0,0,0,0|1,0,0]=3 12415 B11R0.164 CCCCC(CC)CNC(=O)C 11a_100000209976_100015343762 [0,2,0,0,0,0|2,0,0]=4 12416 B11R0.164 CCCCC(CC)CNC(=O)C 1626a_100000209976_100015343762 [0,2,0,0,0,0|2,0,0]=4 12417 B11R0.164 CCCCC(CC)CNC(=O)C 240690a_100000209976_100015343762 [0,2,0,0,0,0|2,0,0]=4 12418 B11R0.164 CCCCC(CC)CNC(=O)C 527a_100000209976_100103153847 [0,2,0,0,0,0|2,0,0]=4 12419 B11R0.164 CCCCC(CC)NCC(=O)O 269956a_100016091260_200011216223 [0,2,0,0,0,0|1,0,0]=3 12420 B11R0.164 CCCCC(CC)OCC(=O)C 34a_100000211253_200011216223 [0,2,0,0,0,0|2,0,0]=4 12421 B11R0.164 CCCCC(CC)OCC(=O)N 34a_100011215227_100000187820 [0,2,0,0,0,0|2,0,0]=4 12422 B11R0.164 CCCCC(CC)OCC(=O)N 7a_100011215227_100000187820 [0,2,0,0,0,0|2,0,0]=4 12423 B11R0.164 CCCCC(CC)OCC(=O)[O-] 34a_100011215227_100020667443 [0,2,0,0,0,0|1,0,1]=4 12424 B11R0.164 CCCCC(CC)SCC(=O)N 62a_100000747473_200011216223 [0,2,0,0,0,0|2,0,0]=4 12425 B11R0.164 CCCCC(CC)SCC(=O)N 62a_200011216223_100000747473 [0,2,0,0,0,0|2,0,0]=4 12426 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_100020667443_200011216223 [0,2,0,0,0,0|1,0,1]=4 12427 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_200011216223_100020667443 [0,2,0,0,0,0|1,0,1]=4 12428 B11R0.164 CCCCN(CC)CCC(=O)C 269982a_100000207695_100000053229 [0,2,0,0,0,0|2,0,0]=4 12429 B11R0.164 CCCCN(CC)CCC(=O)N 2230a_100000207695_100000744528 [0,2,0,0,0,0|2,0,0]=4 12430 B11R0.164 CCCCN(CC)CCC(=O)N 2230a_100020645749_100000210211 [0,2,0,0,0,0|2,0,0]=4 12431 B11R0.164 CCCCN(CC)CCC(=O)N 269982a_100000207695_100000744528 [0,2,0,0,0,0|2,0,0]=4 12432 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 2230a_100011934283_100000747473 [0,2,0,0,0,0|2,0,0]=4 12433 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 34a_100011934283_100000187820 [0,2,0,0,0,0|2,0,0]=4 12434 B11R0.164 CCCC[C@@H](CO)NCC(=O)[O-] 34a_100011934283_100020667443 [0,2,0,0,0,0|1,0,1]=4 12435 B11R0.219 CCCCC(C)(C)OCC(=O)N 7a_100011219641_100000187820 [0,2,0,0,0,0|2,0,0]=4 12436 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,1,0,0|2,0,0]=4 12437 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|2,0,0]=4 12438 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,1]=4 12439 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,1,0,0|2,0,0]=4 12440 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,1,0,0|2,0,0]=4 12441 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,1,0,0|2,0,0]=4 12442 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,1,0,0|2,0,0]=4 12443 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,1,0,0|2,0,0]=4 12444 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,1,0,0|2,0,0]=4 12445 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,1,0,0|2,0,0]=4 12446 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,1,0,0|2,0,0]=4 12447 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 12448 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 12449 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 12450 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,1]=4 12451 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 12452 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [1,0,0,1,0,0|1,0,1]=4 12453 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,1,0,0|2,0,0]=4 12454 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,1,0,0|2,0,0]=4 12455 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,1,0,0|2,0,0]=4 12456 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 12457 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,1]=4 12458 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 12459 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,1,0,0|2,0,0]=4 12460 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,1,0,0|2,0,0]=4 12461 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,1]=4 12462 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,1]=4 12463 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [1,0,0,1,0,0|2,0,0]=4 12464 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [1,0,0,1,0,0|2,0,0]=4 12465 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [1,0,0,1,0,0|2,0,0]=4 12466 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [1,0,0,1,0,0|2,0,0]=4 12467 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [1,0,0,1,0,0|2,0,0]=4 12468 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [1,0,0,1,0,0|2,0,0]=4 12469 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [1,0,0,1,0,0|2,0,0]=4 12470 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [1,0,0,1,0,0|2,0,0]=4 12471 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,1,0,0|2,0,0]=4 12472 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,1,0,0|2,0,0]=4 12473 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 12474 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 12475 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [1,0,0,1,0,0|1,0,1]=4 12476 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,1,0,0|2,0,0]=4 12477 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,1,0,0|2,0,0]=4 12478 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 12479 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 12480 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,1,0,0|2,0,0]=4 12481 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,1,0,0|2,0,0]=4 12482 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,1]=4 12483 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,1]=4 12484 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [1,0,0,1,0,0|2,0,0]=4 12485 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [1,0,0,1,0,0|2,0,0]=4 12486 B9R1.12 C=CCNC1CCCC1 2230a_100000211070_100000210623 [1,0,0,1,0,0|2,0,0]=4 12487 B9R1.12 C=CCNC1CCCC1 2230a_100020586998_100000179811 [1,0,0,1,0,0|2,0,0]=4 12488 B9R1.12 C=CCNC1CCCC1 270004a_100020586998_100000210133 [1,0,0,1,0,0|2,0,0]=4 12489 B9R1.12 C=CCNC1CCCC1 34a_100000211070_100015514636 [1,0,0,1,0,0|2,0,0]=4 12490 B9R1.12 C=CCOC1CCCC1 34a_100000210269_100015514636 [1,0,0,1,0,0|2,0,0]=4 12491 B9R1.12 C=CCOC1CCCC1 34a_200000210373_100000179811 [1,0,0,1,0,0|2,0,0]=4 12492 B9R1.12 C=CCOC1CCCC1 7a_100000210269_100015514636 [1,0,0,1,0,0|2,0,0]=4 12493 B9R1.12 C=CCSC1CCCC1 62a_100000210623_100000179811 [1,0,0,1,0,0|2,0,0]=4 12494 B9R1.12 C=CCSC1CCCC1 62a_100011217020_100000210623 [1,0,0,1,0,0|2,0,0]=4 12495 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,1]=4 12496 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,1]=4 12497 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,1]=4 12498 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,1]=4 12499 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 12500 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 12501 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,1]=4 12502 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,1]=4 12503 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,1,0,0|2,0,0]=4 12504 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,1,0,0|2,0,0]=4 12505 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,1,0,0|2,0,0]=4 12506 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,1,0,0|2,0,0]=4 12507 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,1,0,0|2,0,0]=4 12508 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,1,0,0|2,0,0]=4 12509 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,1,0,0|2,0,0]=4 12510 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,1,0,0|2,0,0]=4 12511 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,1,0,0|2,0,0]=4 12512 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,1,0,0|2,0,0]=4 12513 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [1,0,0,1,0,0|1,0,0]=3 12514 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [1,0,0,1,0,0|1,0,0]=3 12515 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [1,0,0,1,0,0|2,0,0]=4 12516 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [1,0,0,1,0,0|2,0,0]=4 12517 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [1,0,0,1,0,0|2,0,0]=4 12518 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [1,0,0,1,0,0|1,0,0]=3 12519 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [1,0,0,1,0,0|1,0,0]=3 12520 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [1,0,0,1,0,0|2,0,0]=4 12521 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [1,0,0,1,0,0|2,0,0]=4 12522 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [1,0,0,1,0,0|2,0,0]=4 12523 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [1,0,0,1,0,0|1,0,0]=3 12524 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [1,0,0,1,0,0|1,0,0]=3 12525 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [1,0,0,1,0,0|2,0,0]=4 12526 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,1,0,0|1,0,1]=4 12527 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,1,0,0|1,0,1]=4 12528 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|1,0,1]=4 12529 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|1,0,1]=4 12530 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|1,0,1]=4 12531 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|1,0,1]=4 12532 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|1,0,1]=4 12533 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,1]=4 12534 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,1]=4 12535 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,0,1]=4 12536 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,0,1]=4 12537 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,1,0,0|2,0,0]=4 12538 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,1,0,0|2,0,0]=4 12539 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,1,0,0|2,0,0]=4 12540 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,1,0,0|2,0,0]=4 12541 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,1,0,0|2,0,0]=4 12542 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,1,0,0|2,0,0]=4 12543 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|2,0,0]=4 12544 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|2,0,0]=4 12545 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 12546 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|1,0,1]=4 12547 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 12548 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|2,0,0]=4 12549 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|2,0,0]=4 12550 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|2,0,0]=4 12551 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|2,0,0]=4 12552 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 12553 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 12554 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|2,0,0]=4 12555 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 12556 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 12557 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|2,0,0]=4 12558 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 12559 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 12560 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 12561 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|1,0,0]=3 12562 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|1,0,0]=3 12563 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|2,0,0]=4 12564 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|2,0,0]=4 12565 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|2,0,0]=4 12566 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|2,0,0]=4 12567 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,1]=4 12568 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 12569 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 12570 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 12571 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|2,0,0]=4 12572 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 12573 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [1,0,0,1,0,0|2,0,0]=4 12574 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [1,0,0,1,0,0|2,0,0]=4 12575 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|1,0,0]=3 12576 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|1,0,0]=3 12577 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|2,0,0]=4 12578 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|2,0,0]=4 12579 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,1]=4 12580 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 12581 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 12582 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [1,0,0,1,0,0|2,0,0]=4 12583 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|1,0,0]=3 12584 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|1,0,0]=3 12585 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,1]=4 12586 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,1]=4 12587 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 12588 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 12589 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [1,0,0,1,0,0|2,0,0]=4 12590 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [1,0,0,1,0,0|2,0,0]=4 12591 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 12592 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 12593 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 12594 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 12595 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 12596 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|1,0,0]=3 12597 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 12598 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|1,0,0]=3 12599 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|1,0,0]=3 12600 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,1]=4 12601 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,1]=4 12602 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 12603 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 12604 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [1,0,0,1,0,0|2,0,0]=4 12605 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [1,0,0,1,0,0|2,0,0]=4 12606 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [1,0,0,1,0,0|2,0,0]=4 12607 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [1,0,0,1,0,0|2,0,0]=4 12608 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [1,0,0,1,0,0|1,0,0]=3 12609 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [1,0,0,1,0,0|1,0,0]=3 12610 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,1]=4 12611 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,1]=4 12612 B9R1.17 C=CCCCN1CCC1 269982a_100000754969_100000757094 [1,0,0,1,0,0|2,0,0]=4 12613 B9R1.17 C=CCCNC1CCC1 2230a_100000749019_100000754431 [1,0,0,1,0,0|2,0,0]=4 12614 B9R1.17 C=CCCNC1CCC1 270004a_100015191253_100000241760 [1,0,0,1,0,0|2,0,0]=4 12615 B9R1.17 C=CCCNC1CCC1 34a_100000749019_100000754431 [1,0,0,1,0,0|2,0,0]=4 12616 B9R1.17 C=CCCOC1CCC1 34a_100000748187_100000754431 [1,0,0,1,0,0|2,0,0]=4 12617 B9R1.17 C=CCCOC1CCC1 34a_100011205117_100000749161 [1,0,0,1,0,0|2,0,0]=4 12618 B9R1.17 C=CCCSC1CCC1 62a_100000754431_100000749161 [1,0,0,1,0,0|2,0,0]=4 12619 B9R1.17 C=CCNCC1CCC1 2230a_100000738700_100000210623 [1,0,0,1,0,0|2,0,0]=4 12620 B9R1.17 C=CCNCC1CCC1 2230a_100020586998_100000763275 [1,0,0,1,0,0|2,0,0]=4 12621 B9R1.17 C=CCNCC1CCC1 34a_100000738700_100015514636 [1,0,0,1,0,0|2,0,0]=4 12622 B9R1.17 C=CCOCC1CCC1 34a_100000760304_100015514636 [1,0,0,1,0,0|2,0,0]=4 12623 B9R1.17 C=CCOCC1CCC1 34a_200000210373_100000763275 [1,0,0,1,0,0|2,0,0]=4 12624 B9R1.17 C=CCSCC1CCC1 62a_100000210623_100000763275 [1,0,0,1,0,0|2,0,0]=4 12625 B9R1.17 C=CCSCC1CCC1 62a_100000763275_100000210623 [1,0,0,1,0,0|2,0,0]=4 12626 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 12627 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 12628 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,1]=4 12629 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,1]=4 12630 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,0,1]=4 12631 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,0,1]=4 12632 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [1,0,0,1,0,0|1,0,0]=3 12633 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [1,0,0,1,0,0|1,0,0]=3 12634 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [1,0,0,1,0,0|1,0,0]=3 12635 B9R1.17 O=CCNCC1COC1 2230a_100015281925_200015260668 [1,0,0,1,0,0|2,0,0]=4 12636 B9R1.17 O=CCNCC1COC1 34a_100015281925_200009817547 [1,0,0,1,0,0|2,0,0]=4 12637 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [1,0,0,1,0,0|2,0,0]=4 12638 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [1,0,0,1,0,0|2,0,0]=4 12639 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [1,0,0,1,0,0|1,0,0]=3 12640 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [1,0,0,1,0,0|2,0,0]=4 12641 B9R1.17 O=CCOCC1CNC1 34a_100016987283_200009817547 [1,0,0,1,0,0|2,0,0]=4 12642 B9R1.17 O=CCOCC1COC1 34a_100000060846_200009817547 [1,0,0,1,0,0|2,0,0]=4 12643 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [1,0,0,1,0,0|1,0,0]=3 12644 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [1,0,0,1,0,0|1,0,0]=3 12645 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [1,0,0,1,0,0|2,0,0]=4 12646 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [1,0,0,1,0,0|2,0,0]=4 12647 B9R1.17 O=CCSCC1COC1 62a_100010264016_200015260668 [1,0,0,1,0,0|2,0,0]=4 12648 B9R1.17 O=CCSCC1COC1 62a_200015260668_100010264016 [1,0,0,1,0,0|2,0,0]=4 12649 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|1,0,1]=4 12650 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [1,0,0,1,0,0|1,0,1]=4 12651 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [1,0,0,1,0,0|1,0,1]=4 12652 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [1,0,0,1,0,0|1,0,1]=4 12653 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [1,0,0,1,0,0|1,0,1]=4 12654 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [1,0,0,1,0,0|1,0,1]=4 12655 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|1,0,1]=4 12656 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|1,0,1]=4 12657 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|1,0,1]=4 12658 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|1,0,1]=4 12659 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|1,0,1]=4 12660 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,1]=4 12661 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,0,1]=4 12662 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,0,1]=4 12663 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [1,0,0,1,0,0|2,0,0]=4 12664 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [1,0,0,1,0,0|2,0,0]=4 12665 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [1,0,0,1,0,0|2,0,0]=4 12666 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [1,0,0,1,0,0|2,0,0]=4 12667 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [1,0,0,1,0,0|2,0,0]=4 12668 B9R1.33 CC1SCCN1CC=O 2230a_200011216479_200015260668 [1,0,0,1,0,0|2,0,0]=4 12669 B9R1.33 CC1SCCN1CC=O 269982a_200011216479_200015260668 [1,0,0,1,0,0|2,0,0]=4 12670 B9R1.33 CC1SCCN1CC=O 34a_200011216479_200009817547 [1,0,0,1,0,0|2,0,0]=4 12671 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|1,0,0]=3 12672 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 12673 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 12674 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|2,0,0]=4 12675 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|1,0,0]=3 12676 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|1,0,0]=3 12677 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|2,0,0]=4 12678 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 12679 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|1,0,0]=3 12680 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|1,0,0]=3 12681 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|2,0,0]=4 12682 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|2,0,0]=4 12683 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,0,1]=4 12684 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,0,1]=4 12685 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|2,0,0]=4 12686 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [1,0,0,1,0,0|2,0,0]=4 12687 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [1,0,0,1,0,0|2,0,0]=4 12688 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [1,0,0,1,0,0|1,0,0]=3 12689 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [1,0,0,1,0,0|1,0,0]=3 12690 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [1,0,0,1,0,0|1,0,0]=3 12691 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 12692 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 12693 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|1,0,1]=4 12694 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [1,0,0,1,0,0|1,0,0]=3 12695 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [1,0,0,1,0,0|1,0,0]=3 12696 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|1,0,1]=4 12697 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|1,0,1]=4 12698 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [1,0,0,1,0,0|2,0,0]=4 12699 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [1,0,0,1,0,0|2,0,0]=4 12700 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [1,0,0,1,0,0|2,0,0]=4 12701 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|2,0,0]=4 12702 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [1,0,0,1,0,0|2,0,0]=4 12703 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [1,0,0,1,0,0|2,0,0]=4 12704 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [1,0,0,1,0,0|2,0,0]=4 12705 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [1,0,0,1,0,0|2,0,0]=4 12706 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [1,0,0,1,0,0|1,0,1]=4 12707 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [1,0,0,1,0,0|1,0,1]=4 12708 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,1,0,0|1,0,0]=3 12709 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [1,0,0,1,0,0|1,0,0]=3 12710 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [1,0,0,1,0,0|1,0,0]=3 12711 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,1,0,0|1,0,0]=3 12712 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,1,0,0|1,0,0]=3 12713 B9R1.39 COCSC1CCC1=O 62a_100000766300_100009892977 [1,0,0,1,0,0|2,0,0]=4 12714 B9R1.39 COCSC1CCC1=O 62a_100009892977_100000766300 [1,0,0,1,0,0|2,0,0]=4 12715 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,1,0,0|1,0,0]=3 12716 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,1,0,0|1,0,0]=3 12717 B9R1.39 CSCSC1CCC1=O 62a_100009892977_100011218213 [1,0,0,1,0,0|2,0,0]=4 12718 B9R1.39 CSCSC1CCC1=O 62a_100011218213_100009892977 [1,0,0,1,0,0|2,0,0]=4 12719 B9R1.39 NCCOC1CCC1=O 34a_100000210304_100009892977 [1,0,0,1,0,0|2,0,0]=4 12720 B9R1.39 O=C1CCC1NCCF 34a_100000724931_100009892977 [1,0,0,1,0,0|2,0,0]=4 12721 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [1,0,0,1,0,0|2,0,0]=4 12722 B9R1.39 O=C1CCC1OCCBr 34a_100000211926_100009892977 [1,0,0,1,0,0|2,0,0]=4 12723 B9R1.39 O=C1CCC1SCCF 62a_100009892977_100011217306 [1,0,0,1,0,0|2,0,0]=4 12724 B9R1.39 O=C1CCC1SCCF 62a_100011217306_100009892977 [1,0,0,1,0,0|2,0,0]=4 12725 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [1,0,0,1,0,0|2,0,0]=4 12726 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [1,0,0,1,0,0|2,0,0]=4 12727 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,1,0,0|1,0,0]=3 12728 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,1,0,0|1,0,0]=3 12729 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 12730 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 12731 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|2,0,0]=4 12732 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 12733 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 12734 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|2,0,0]=4 12735 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [1,0,0,1,0,0|2,0,0]=4 12736 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [1,0,0,1,0,0|2,0,0]=4 12737 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [1,0,0,1,0,0|2,0,0]=4 12738 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [1,0,0,1,0,0|2,0,0]=4 12739 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [1,0,0,1,0,0|2,0,0]=4 12740 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [1,0,0,1,0,0|2,0,0]=4 12741 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [1,0,0,1,0,0|2,0,0]=4 12742 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [1,0,0,1,0,0|2,0,0]=4 12743 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [1,0,0,1,0,0|2,0,0]=4 12744 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [1,0,0,1,0,0|2,0,0]=4 12745 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [1,0,0,1,0,0|2,0,0]=4 12746 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [1,0,0,1,0,0|2,0,0]=4 12747 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [1,0,0,1,0,0|2,0,0]=4 12748 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [1,0,0,1,0,0|2,0,0]=4 12749 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [1,0,0,1,0,0|2,0,0]=4 12750 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [1,0,0,1,0,0|2,0,0]=4 12751 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [1,0,0,1,0,0|2,0,0]=4 12752 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [1,0,0,1,0,0|2,0,0]=4 12753 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [1,0,0,1,0,0|2,0,0]=4 12754 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|1,0,1]=4 12755 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|1,0,1]=4 12756 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|1,0,1]=4 12757 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|1,0,1]=4 12758 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|1,0,1]=4 12759 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|1,0,1]=4 12760 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|1,0,1]=4 12761 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|1,0,1]=4 12762 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|1,0,1]=4 12763 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|1,0,1]=4 12764 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|1,0,1]=4 12765 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,1]=4 12766 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,1]=4 12767 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,0,1]=4 12768 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,0,1]=4 12769 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|1,0,1]=4 12770 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,1]=4 12771 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|1,0,1]=4 12772 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|1,0,1]=4 12773 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [1,0,0,1,0,0|1,0,0]=3 12774 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [1,0,0,1,0,0|1,0,0]=3 12775 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [1,0,0,1,0,0|1,0,0]=3 12776 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [1,0,0,1,0,0|1,0,0]=3 12777 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [1,0,0,1,0,0|2,0,0]=4 12778 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [1,0,0,1,0,0|1,0,0]=3 12779 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [1,0,0,1,0,0|1,0,0]=3 12780 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [1,0,0,1,0,0|2,0,0]=4 12781 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [1,0,0,1,0,0|2,0,0]=4 12782 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|1,0,1]=4 12783 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|1,0,1]=4 12784 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,0,1]=4 12785 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [1,0,0,1,0,0|1,0,1]=4 12786 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [1,0,0,1,0,0|1,0,1]=4 12787 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [1,0,0,1,0,0|1,0,1]=4 12788 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [1,0,0,1,0,0|1,0,1]=4 12789 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [1,0,0,1,0,0|1,0,1]=4 12790 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [1,0,0,1,0,0|1,0,1]=4 12791 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|1,0,1]=4 12792 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|1,0,1]=4 12793 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|1,0,1]=4 12794 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,1]=4 12795 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,1]=4 12796 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,0,1]=4 12797 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,0,1]=4 12798 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 12799 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|2,0,0]=4 12800 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 12801 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|2,0,0]=4 12802 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 12803 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|2,0,0]=4 12804 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 12805 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|2,0,0]=4 12806 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|2,0,0]=4 12807 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 12808 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 12809 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 12810 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 12811 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|2,0,0]=4 12812 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|2,0,0]=4 12813 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|2,0,0]=4 12814 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|2,0,0]=4 12815 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|1,0,0]=3 12816 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|1,0,0]=3 12817 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|2,0,0]=4 12818 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|2,0,0]=4 12819 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|2,0,0]=4 12820 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,1,0,0|2,0,0]=4 12821 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,1,0,0|2,0,0]=4 12822 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,1,0,0|2,0,0]=4 12823 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|1,0,0]=3 12824 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|2,0,0]=4 12825 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|2,0,0]=4 12826 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,1,0,0|2,0,0]=4 12827 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,1,0,0|2,0,0]=4 12828 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,1,0,0|2,0,0]=4 12829 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [1,0,0,1,0,0|2,0,0]=4 12830 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [1,0,0,1,0,0|2,0,0]=4 12831 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [1,0,0,1,0,0|2,0,0]=4 12832 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [1,0,0,1,0,0|2,0,0]=4 12833 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [1,0,0,1,0,0|2,0,0]=4 12834 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [1,0,0,1,0,0|2,0,0]=4 12835 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [1,0,0,1,0,0|2,0,0]=4 12836 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [1,0,0,1,0,0|2,0,0]=4 12837 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [1,0,0,1,0,0|2,0,0]=4 12838 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [1,0,0,1,0,0|2,0,0]=4 12839 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [1,0,0,1,0,0|2,0,0]=4 12840 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [1,0,0,1,0,0|2,0,0]=4 12841 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [1,0,0,1,0,0|2,0,0]=4 12842 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [1,0,0,1,0,0|2,0,0]=4 12843 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [1,0,0,1,0,0|2,0,0]=4 12844 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [1,0,0,1,0,0|2,0,0]=4 12845 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [1,0,0,1,0,0|2,0,0]=4 12846 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [1,0,0,1,0,0|2,0,0]=4 12847 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [1,0,0,1,0,0|2,0,0]=4 12848 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [1,0,0,1,0,0|2,0,0]=4 12849 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [1,0,0,1,0,0|2,0,0]=4 12850 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [1,0,0,1,0,0|2,0,0]=4 12851 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [1,0,0,1,0,0|2,0,0]=4 12852 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [1,0,0,1,0,0|2,0,0]=4 12853 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [1,0,0,1,0,0|2,0,0]=4 12854 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [1,0,0,1,0,0|2,0,0]=4 12855 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [1,0,0,1,0,0|2,0,0]=4 12856 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [1,0,0,1,0,0|2,0,0]=4 12857 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [1,0,0,1,0,0|2,0,0]=4 12858 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [1,0,0,1,0,0|2,0,0]=4 12859 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [1,0,0,1,0,0|2,0,0]=4 12860 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [1,0,0,1,0,0|2,0,0]=4 12861 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [1,0,0,1,0,0|2,0,0]=4 12862 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [1,0,0,1,0,0|2,0,0]=4 12863 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [1,0,0,1,0,0|2,0,0]=4 12864 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|1,0,0]=3 12865 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|1,0,0]=3 12866 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|2,0,0]=4 12867 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,1,0,0|2,0,0]=4 12868 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,1,0,0|2,0,0]=4 12869 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,1,0,0|2,0,0]=4 12870 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 12871 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 12872 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 12873 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,1,0,0|2,0,0]=4 12874 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [1,0,0,1,0,0|2,0,0]=4 12875 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [1,0,0,1,0,0|2,0,0]=4 12876 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [1,0,0,1,0,0|1,0,1]=4 12877 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|1,0,0]=3 12878 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,1,0,0|2,0,0]=4 12879 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,1,0,0|2,0,0]=4 12880 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|1,0,0]=3 12881 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|2,0,0]=4 12882 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|2,0,0]=4 12883 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 12884 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 12885 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|2,0,0]=4 12886 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,1,0,0|2,0,0]=4 12887 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|1,0,0]=3 12888 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,0,0,1,0,0|2,0,0]=4 12889 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|1,0,0]=3 12890 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,1,0,0|2,0,0]=4 12891 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [1,0,0,1,0,0|2,0,0]=4 12892 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,0,0,1,0,0|2,0,0]=4 12893 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,0,0,1,0,0|2,0,0]=4 12894 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|1,0,0]=3 12895 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [1,0,0,1,0,0|2,0,0]=4 12896 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,0,0,1,0,0|2,0,0]=4 12897 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [1,0,0,1,0,0|2,0,0]=4 12898 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [1,0,0,1,0,0|2,0,0]=4 12899 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [1,0,0,1,0,0|1,0,1]=4 12900 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [1,0,0,1,0,0|1,0,1]=4 12901 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [1,0,0,1,0,0|2,0,0]=4 12902 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [1,0,0,1,0,0|2,0,0]=4 12903 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 12904 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 12905 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 12906 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [1,0,0,1,0,0|2,0,0]=4 12907 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [1,0,0,1,0,0|2,0,0]=4 12908 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [1,0,0,1,0,0|2,0,0]=4 12909 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [1,0,0,1,0,0|2,0,0]=4 12910 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [1,0,0,1,0,0|2,0,0]=4 12911 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [1,0,0,1,0,0|2,0,0]=4 12912 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [1,0,0,1,0,0|1,0,0]=3 12913 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [1,0,0,1,0,0|2,0,0]=4 12914 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [1,0,0,1,0,0|1,0,1]=4 12915 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [1,0,0,1,0,0|1,0,1]=4 12916 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [1,0,0,1,0,0|1,0,1]=4 12917 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [1,0,0,1,0,0|2,0,0]=4 12918 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [1,0,0,1,0,0|2,0,0]=4 12919 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [1,0,0,1,0,0|2,0,0]=4 12920 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [1,0,0,1,0,0|2,0,0]=4 12921 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [1,0,0,1,0,0|2,0,0]=4 12922 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [1,0,0,1,0,0|2,0,0]=4 12923 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [1,0,0,1,0,0|2,0,0]=4 12924 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [1,0,0,1,0,0|2,0,0]=4 12925 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [1,0,0,1,0,0|2,0,0]=4 12926 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [1,0,0,1,0,0|2,0,0]=4 12927 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [1,0,0,1,0,0|2,0,0]=4 12928 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [1,0,0,1,0,0|2,0,0]=4 12929 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [1,0,0,1,0,0|2,0,0]=4 12930 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [1,0,0,1,0,0|2,0,0]=4 12931 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [1,0,0,1,0,0|2,0,0]=4 12932 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [1,0,0,1,0,0|2,0,0]=4 12933 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [1,0,0,1,0,0|2,0,0]=4 12934 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [1,0,0,1,0,0|1,0,0]=3 12935 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [1,0,0,1,0,0|2,0,0]=4 12936 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [1,0,0,1,0,0|2,0,0]=4 12937 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [1,0,0,1,0,0|2,0,0]=4 12938 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [1,0,0,1,0,0|2,0,0]=4 12939 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [1,0,0,1,0,0|1,0,1]=4 12940 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [1,0,0,1,0,0|1,0,1]=4 12941 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [1,0,0,1,0,0|1,0,1]=4 12942 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [1,0,0,1,0,0|1,0,1]=4 12943 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [1,0,0,1,0,0|2,0,0]=4 12944 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|1,0,0]=3 12945 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [1,0,0,1,0,0|2,0,0]=4 12946 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,1,0,1,0,0|1,0,1]=4 12947 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,1,0,1,0,0|0,0,1]=3 12948 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 11a_100015525214_100009814974 [0,1,0,1,0,0|1,0,1]=4 12949 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 240690a_100015525214_100009814974 [0,1,0,1,0,0|1,0,1]=4 12950 B11R1.15 CCNC(=O)[C@@H]1CCC(=O)O1 527a_100015525214_100009814974 [0,1,0,1,0,0|1,0,1]=4 12951 B11R1.15 O=C1CC[C@H](O1)C(=O)CCF 1458a_100009814974_100011217306 [0,1,0,1,0,0|1,0,1]=4 12952 B11R1.15 O=C1CC[C@H](O1)C(=O)CCO 1458a_100009814974_100000211926 [0,1,0,1,0,0|1,0,1]=4 12953 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [0,1,0,1,0,0|2,0,0]=4 12954 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [0,1,0,1,0,0|2,0,0]=4 12955 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [0,1,0,1,0,0|2,0,0]=4 12956 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [0,1,0,1,0,0|2,0,0]=4 12957 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [0,1,0,1,0,0|2,0,0]=4 12958 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [0,1,0,1,0,0|2,0,0]=4 12959 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [0,1,0,1,0,0|2,0,0]=4 12960 B11R1.90 C=C(F)COC1CCCC1C 34a_100011216460_100009893438 [0,1,0,1,0,0|2,0,0]=4 12961 B11R1.90 C=C(F)COC1CCCC1C 7a_100011216460_100000042424 [0,1,0,1,0,0|2,0,0]=4 12962 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,1,0,1,0,0|1,0,0]=3 12963 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,1,0,1,0,0|1,0,0]=3 12964 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,1,0,1,0,0|1,0,0]=3 12965 B11R1.90 CC(=O)CCN1CCSC1C 269982a_200011216479_100000053229 [0,1,0,1,0,0|2,0,0]=4 12966 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,1,0,1,0,0|2,0,0]=4 12967 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,1,0,1,0,0|2,0,0]=4 12968 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,1,0,1,0,0|2,0,0]=4 12969 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,1,0,1,0,0|2,0,0]=4 12970 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,1,0,1,0,0|2,0,0]=4 12971 B11R1.90 CC(O)CCN1CCC[C@@H]1C 2230a_100020605311_100012276601 [0,1,0,1,0,0|1,0,1]=4 12972 B11R1.90 CC(O)CCN1CCC[C@@H]1C 269982a_100020605311_100012276601 [0,1,0,1,0,0|1,0,1]=4 12973 B11R1.90 CC(O)CCN1CCC[C@H]1C 2230a_100015189458_100012276601 [0,1,0,1,0,0|1,0,1]=4 12974 B11R1.90 CC(O)CCN1CCC[C@H]1C 269982a_100015189458_100012276601 [0,1,0,1,0,0|1,0,1]=4 12975 B11R1.90 CC(O)CCN1CCC[C@H]1C 34a_100015189458_100012276601 [0,1,0,1,0,0|1,0,1]=4 12976 B11R1.90 CC(O)CNC1CCCC1C 269862a_100000210904_100000752053 [0,1,0,1,0,0|1,0,1]=4 12977 B11R1.90 CC(O)COC1CCCC1C 34a_100011216460_100011218427 [0,1,0,1,0,0|1,0,1]=4 12978 B11R1.90 CC(O)COC1CCCC1C 7a_100011216460_100011218427 [0,1,0,1,0,0|1,0,1]=4 12979 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [0,1,0,1,0,0|1,0,0]=3 12980 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [0,1,0,1,0,0|1,0,0]=3 12981 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [0,1,0,1,0,0|0,0,1]=3 12982 B11R1.90 CC1CCCC1OC[C@@H](C)O 34a_100011216460_100009817552 [0,1,0,1,0,0|1,0,1]=4 12983 B11R1.90 CC1CCCC1OC[C@@H](C)O 7a_100011216460_100009817552 [0,1,0,1,0,0|1,0,1]=4 12984 B11R1.90 CC1CCCC1OC[N+](=O)[O-] 34a_100011216460_100000761209 [0,1,0,1,0,0|1,0,1]=4 12985 B11R1.90 CC1SCCN1CCC(=O)N 2230a_200011216479_100000744528 [0,1,0,1,0,0|2,0,0]=4 12986 B11R1.90 CC1SCCN1CCC(=O)N 269982a_200011216479_100000744528 [0,1,0,1,0,0|2,0,0]=4 12987 B11R1.90 CC1SCCN1CCC(=O)N 34a_200011216479_100000731001 [0,1,0,1,0,0|2,0,0]=4 12988 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [0,1,0,1,0,0|1,0,0]=3 12989 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [0,1,0,1,0,0|1,0,0]=3 12990 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [0,1,0,1,0,0|1,0,0]=3 12991 B11R1.90 C[C@@H]1CNC[C@@H]1OCC(=O)N 34a_200015306588_100000187820 [0,1,0,1,0,0|2,0,0]=4 12992 B11R1.90 C[C@@H]1CNC[C@@H]1OCC(=O)[O-] 34a_200015306588_100020667443 [0,1,0,1,0,0|1,0,1]=4 12993 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [0,1,0,1,0,0|1,0,0]=3 12994 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [0,1,0,1,0,0|1,0,0]=3 12995 B11R1.90 NC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000187820 [0,1,0,1,0,0|2,0,0]=4 12996 B11R1.90 NC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000187820 [0,1,0,1,0,0|2,0,0]=4 12997 B11R1.90 NC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747473_200016002552 [0,1,0,1,0,0|2,0,0]=4 12998 B11R1.90 NC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747473 [0,1,0,1,0,0|2,0,0]=4 12999 B11R1.90 N[C@H]1CCC[C@@H]1OCC(=O)[O-] 34a_100000748460_100020667443 [0,1,0,1,0,0|1,0,1]=4 13000 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,1,0,1,0,0|1,0,1]=4 13001 B11R1.90 O=C(O)CNC1COCC1O 269956a_100016091260_200000725654 [0,1,0,1,0,0|2,0,0]=4 13002 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [0,1,0,1,0,0|1,0,0]=3 13003 B11R1.90 O=C([O-])CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100020667443 [0,1,0,1,0,0|1,0,1]=4 13004 B11R1.90 O=C([O-])CS[C@@H]1CCC[C@H]1O 62a_100020667443_200016002552 [0,1,0,1,0,0|1,0,1]=4 13005 B11R1.90 O=C([O-])CS[C@@H]1CCC[C@H]1O 62a_200016002552_100020667443 [0,1,0,1,0,0|1,0,1]=4 13006 B11R1.120 CCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210207 [0,1,0,1,0,0|1,0,0]=3 13007 B11R1.120 COCN1CC(C1)CC(=O)O 269956a_100016993960_100000766300 [0,1,0,1,0,0|2,0,0]=4 13008 B11R1.120 CSCN1CC(C1)CC(=O)O 269956a_100016993960_100011218213 [0,1,0,1,0,0|2,0,0]=4 13009 B11R1.120 O=C(O)CC1CN(C1)CCF 269956a_100016993960_100011217306 [0,1,0,1,0,0|2,0,0]=4 13010 B11R1.120 O=C(O)CC1CN(C1)CCO 269956a_100016993960_100000211926 [0,1,0,1,0,0|2,0,0]=4 13011 B11R1.124 CCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210303 [0,1,0,1,0,0|2,0,0]=4 13012 B11R1.124 CCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210303 [0,1,0,1,0,0|2,0,0]=4 13013 B11R1.124 CCCN1CCC(C1)C(=O)N 34a_100000752358_100000210303 [0,1,0,1,0,0|2,0,0]=4 13014 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [0,1,0,1,0,0|1,0,0]=3 13015 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 269956a_100015195206_100015361967 [0,1,0,1,0,0|2,0,0]=4 13016 B11R1.154 CC(=O)CCCN1CC(C1)C 269982a_100000702820_100011215641 [0,1,0,1,0,0|2,0,0]=4 13017 B11R1.154 CC(=O)CCCN1CC(C1)C 34a_100000702820_100000685027 [0,1,0,1,0,0|2,0,0]=4 13018 B11R1.154 CC(=O)CCCN1CC(C1)F 269982a_100000690557_100011215641 [0,1,0,1,0,0|2,0,0]=4 13019 B11R1.154 CC(=O)CCCN1CC(C1)F 34a_100000690557_100000685027 [0,1,0,1,0,0|2,0,0]=4 13020 B11R1.154 CC(=O)CCCN1CC(C1)O 269982a_100000749847_100011215641 [0,1,0,1,0,0|2,0,0]=4 13021 B11R1.154 CC(C)CCSC1CC(=O)C1 62a_100009894365_100000210312 [0,1,0,1,0,0|2,0,0]=4 13022 B11R1.154 CC(C)CNCC1CC(=O)C1 2230a_100000210953_100009874392 [0,1,0,1,0,0|2,0,0]=4 13023 B11R1.154 CC(C)COCC1CC(=O)C1 34a_100000101936_100000210624 [0,1,0,1,0,0|2,0,0]=4 13024 B11R1.154 CC(C)CSCC1CC(=O)C1 62a_100000210624_100009874392 [0,1,0,1,0,0|2,0,0]=4 13025 B11R1.154 CC(C)CSCC1CC(=O)C1 62a_100009874392_100000210760 [0,1,0,1,0,0|2,0,0]=4 13026 B11R1.154 CC(O)CCSC1CC(=O)C1 62a_100009894365_100012276601 [0,1,0,1,0,0|2,0,0]=4 13027 B11R1.154 CC(O)CNCC1CC(=O)C1 2230a_100000210904_100009874392 [0,1,0,1,0,0|2,0,0]=4 13028 B11R1.154 CC(O)COCC1CC(=O)C1 34a_100000101936_100011218427 [0,1,0,1,0,0|2,0,0]=4 13029 B11R1.154 CC(O)CSCC1CC(=O)C1 62a_100009874392_100011218427 [0,1,0,1,0,0|2,0,0]=4 13030 B11R1.154 CC(O)CSCC1CC(=O)C1 62a_100011218427_100009874392 [0,1,0,1,0,0|2,0,0]=4 13031 B11R1.154 CC1CN(C1)CCCC(=O)N 269982a_100000702820_100102525003 [0,1,0,1,0,0|2,0,0]=4 13032 B11R1.154 CC1CN(C1)CCCC(=O)N 34a_100000702820_100102525003 [0,1,0,1,0,0|2,0,0]=4 13033 B11R1.154 C[C@@H](O)COCC1CC(=O)C1 34a_100000101936_100009817552 [0,1,0,1,0,0|2,0,0]=4 13034 B11R1.154 C[C@@H](O)CSCC1CC(=O)C1 62a_100009817552_100009874392 [0,1,0,1,0,0|2,0,0]=4 13035 B11R1.154 C[C@@H](O)CSCC1CC(=O)C1 62a_100009874392_100009817552 [0,1,0,1,0,0|2,0,0]=4 13036 B11R1.154 NC(=O)CCCN1CC(C1)F 269982a_100000690557_100102525003 [0,1,0,1,0,0|2,0,0]=4 13037 B11R1.154 NC(=O)CCCN1CC(C1)F 34a_100000690557_100102525003 [0,1,0,1,0,0|2,0,0]=4 13038 B11R1.154 NC(=O)CCCN1CC(C1)O 269982a_100000749847_100102525003 [0,1,0,1,0,0|2,0,0]=4 13039 B11R1.154 NC(=O)CCNC1CC(C1)F 2230a_100016993743_100000744528 [0,1,0,1,0,0|2,0,0]=4 13040 B11R1.154 NC(=O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000744528 [0,1,0,1,0,0|2,0,0]=4 13041 B11R1.154 NC(=O)CNCC1CC(C1)O 2230a_100016992100_100000747473 [0,1,0,1,0,0|2,0,0]=4 13042 B11R1.154 NC(=O)COCC1CC(C1)Cl 34a_100009874164_100000187820 [0,1,0,1,0,0|2,0,0]=4 13043 B11R1.154 O=C(O)CNCC1CC(=O)C1 269956a_100016091260_100009874392 [0,1,0,1,0,0|1,0,1]=4 13044 B11R1.154 O=C([O-])COCC1CC(C1)Cl 34a_100009874164_100020667443 [0,1,0,1,0,0|1,0,1]=4 13045 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,1,0,1,0,0|1,0,0]=3 13046 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,1,0,1,0,0|2,0,0]=4 13047 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,1,0,1,0,0|2,0,0]=4 13048 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,1,0,1,0,0|2,0,0]=4 13049 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,1,0,1,0,0|2,0,0]=4 13050 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,1,0,1,0,0|2,0,0]=4 13051 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,1,0,1,0,0|2,0,0]=4 13052 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,1,0,1,0,0|2,0,0]=4 13053 B11R1.157 CC(C)OC1CCCC(=O)C1 34a_100012613340_100000210206 [0,1,0,1,0,0|2,0,0]=4 13054 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,1,0,1,0,0|1,0,0]=3 13055 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,1,0,1,0,0|1,0,0]=3 13056 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,1,0,1,0,0|2,0,0]=4 13057 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,1,0,1,0,0|2,0,0]=4 13058 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,1,0,1,0,0|2,0,0]=4 13059 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,1,0,1,0,0|2,0,0]=4 13060 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,1,0,1,0,0|1,0,1]=4 13061 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,1,0,1,0,0|1,0,1]=4 13062 B11R1.157 NC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747473 [0,1,0,1,0,0|2,0,0]=4 13063 B11R1.157 NC(=O)CN1CCCC(C1)F 269982a_100000697950_100000187820 [0,1,0,1,0,0|2,0,0]=4 13064 B11R1.157 NC(=O)CN1CCCC(C1)F 34a_100000697950_100000187820 [0,1,0,1,0,0|2,0,0]=4 13065 B11R1.157 NC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747473 [0,1,0,1,0,0|2,0,0]=4 13066 B11R1.157 NC(=O)CN1CCCC(C1)O 269982a_100000211013_100000187820 [0,1,0,1,0,0|2,0,0]=4 13067 B11R1.157 O=C([O-])CN1CCCC(C1)F 269982a_100000697950_100020667443 [0,1,0,1,0,0|1,0,1]=4 13068 B11R1.157 O=C([O-])CN1CCCC(C1)F 34a_100000697950_100020667443 [0,1,0,1,0,0|1,0,1]=4 13069 B11R1.157 O=C([O-])CN1CCCC(C1)O 269982a_100000211013_100020667443 [0,1,0,1,0,0|1,0,1]=4 13070 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,1,0,1,0,0|1,0,0]=3 13071 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,1,0,1,0,0|2,0,0]=4 13072 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,1,0,1,0,0|1,0,0]=3 13073 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,1,0,1,0,0|1,0,0]=3 13074 B11R1.172 C=C(Br)CCOC1CCCC1 34a_100009813270_100000179811 [0,1,0,1,0,0|2,0,0]=4 13075 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [0,1,0,1,0,0|2,0,0]=4 13076 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [0,1,0,1,0,0|2,0,0]=4 13077 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [0,1,0,1,0,0|2,0,0]=4 13078 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [0,1,0,1,0,0|2,0,0]=4 13079 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [0,1,0,1,0,0|2,0,0]=4 13080 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [0,1,0,1,0,0|2,0,0]=4 13081 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [0,1,0,1,0,0|2,0,0]=4 13082 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [0,1,0,1,0,0|2,0,0]=4 13083 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [0,1,0,1,0,0|2,0,0]=4 13084 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [0,1,0,1,0,0|2,0,0]=4 13085 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [0,1,0,1,0,0|2,0,0]=4 13086 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [0,1,0,1,0,0|2,0,0]=4 13087 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [0,1,0,1,0,0|2,0,0]=4 13088 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [0,1,0,1,0,0|2,0,0]=4 13089 B11R1.172 C=C(F)CNCC1CCCC1 2230a_100000737975_100009893438 [0,1,0,1,0,0|2,0,0]=4 13090 B11R1.172 C=C(F)CNCC1CCCC1 34a_100000737975_100009893438 [0,1,0,1,0,0|2,0,0]=4 13091 B11R1.172 C=C(F)COCC1CCCC1 34a_100000742336_100009893438 [0,1,0,1,0,0|2,0,0]=4 13092 B11R1.172 C=C(F)COCC1CCCC1 34a_200010262243_100000740388 [0,1,0,1,0,0|2,0,0]=4 13093 B11R1.172 C=C(F)COCC1CCCC1 7a_100000742336_100000042424 [0,1,0,1,0,0|2,0,0]=4 13094 B11R1.172 C=C(F)CSCC1CCCC1 62a_100000042424_100000740388 [0,1,0,1,0,0|2,0,0]=4 13095 B11R1.172 C=C(F)CSCC1CCCC1 62a_100000740388_100000042424 [0,1,0,1,0,0|2,0,0]=4 13096 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,1,0,1,0,0|1,0,0]=3 13097 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,1,0,1,0,0|2,0,0]=4 13098 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,1,0,1,0,0|1,0,0]=3 13099 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,1,0,1,0,0|1,0,0]=3 13100 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,1,0,1,0,0|1,0,0]=3 13101 B11R1.172 CC(=O)CCCN1CCSC1 269982a_100011215254_100011215641 [0,1,0,1,0,0|2,0,0]=4 13102 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,1,0,1,0,0|1,0,0]=3 13103 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,1,0,1,0,0|1,0,0]=3 13104 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,1,0,1,0,0|1,0,0]=3 13105 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,1,0,1,0,0|2,0,0]=4 13106 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,1,0,1,0,0|2,0,0]=4 13107 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [0,1,0,1,0,0|2,0,0]=4 13108 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,1,0,1,0,0|1,0,0]=3 13109 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,1,0,1,0,0|1,0,0]=3 13110 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [0,1,0,1,0,0|2,0,0]=4 13111 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,1,0,1,0,0|1,0,0]=3 13112 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,1,0,1,0,0|2,0,0]=4 13113 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,1,0,1,0,0|2,0,0]=4 13114 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,1,0,1,0,0|2,0,0]=4 13115 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,1,0,1,0,0|1,0,0]=3 13116 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,1,0,1,0,0|1,0,0]=3 13117 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,1,0,1,0,0|1,0,0]=3 13118 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,1,0,1,0,0|1,0,0]=3 13119 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [0,1,0,1,0,0|2,0,0]=4 13120 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [0,1,0,1,0,0|2,0,0]=4 13121 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [0,1,0,1,0,0|2,0,0]=4 13122 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,1,0,1,0,0|2,0,0]=4 13123 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,1,0,1,0,0|2,0,0]=4 13124 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,1,0,1,0,0|2,0,0]=4 13125 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,1,0,1,0,0|2,0,0]=4 13126 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,1,0,1,0,0|2,0,0]=4 13127 B11R1.172 CC(O)CCCN1CCCC1 2230a_100000188435_200000718107 [0,1,0,1,0,0|1,0,1]=4 13128 B11R1.172 CC(O)CCCN1CCCC1 269982a_100000188435_200000718107 [0,1,0,1,0,0|1,0,1]=4 13129 B11R1.172 CC(O)CCNC1CCCC1 2230a_100000211070_100012276601 [0,1,0,1,0,0|1,0,1]=4 13130 B11R1.172 CC(O)CCNC1CCCC1 2230a_200000755665_100000179811 [0,1,0,1,0,0|1,0,1]=4 13131 B11R1.172 CC(O)CCNC1CCCC1 270004a_200000755665_100000210133 [0,1,0,1,0,0|1,0,1]=4 13132 B11R1.172 CC(O)CCNC1CCCC1 34a_100000211070_100012276601 [0,1,0,1,0,0|1,0,1]=4 13133 B11R1.172 CC(O)CCOC1CCCC1 34a_100000210269_100012276601 [0,1,0,1,0,0|1,0,1]=4 13134 B11R1.172 CC(O)CCOC1CCCC1 7a_100000210269_100012276601 [0,1,0,1,0,0|1,0,1]=4 13135 B11R1.172 CC(O)CCSC1CCCC1 62a_100011217020_100012276601 [0,1,0,1,0,0|1,0,1]=4 13136 B11R1.172 CC(O)CCSC1CCCC1 62a_100012276601_100000179811 [0,1,0,1,0,0|1,0,1]=4 13137 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000210904_100000740388 [0,1,0,1,0,0|1,0,1]=4 13138 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000737975_100011218427 [0,1,0,1,0,0|1,0,1]=4 13139 B11R1.172 CC(O)CNCC1CCCC1 269862a_100000210904_100000746403 [0,1,0,1,0,0|1,0,1]=4 13140 B11R1.172 CC(O)CNCC1CCCC1 34a_100000210904_100000740388 [0,1,0,1,0,0|1,0,1]=4 13141 B11R1.172 CC(O)CNCC1CCCC1 34a_100000737975_100011218427 [0,1,0,1,0,0|1,0,1]=4 13142 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,1,0,1,0,0|1,0,1]=4 13143 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,1,0,1,0,0|1,0,1]=4 13144 B11R1.172 CC(O)CSCC1CCCC1 62a_100000740388_100011218427 [0,1,0,1,0,0|1,0,1]=4 13145 B11R1.172 CC(O)CSCC1CCCC1 62a_100011218427_100000740388 [0,1,0,1,0,0|1,0,1]=4 13146 B11R1.172 C[C@@H](O)CNCC1CCCC1 2230a_100000737975_100009817552 [0,1,0,1,0,0|1,0,1]=4 13147 B11R1.172 C[C@@H](O)CNCC1CCCC1 34a_100000737975_100009817552 [0,1,0,1,0,0|1,0,1]=4 13148 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,1,0,1,0,0|1,0,1]=4 13149 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,1,0,1,0,0|1,0,1]=4 13150 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100000740388_100009817552 [0,1,0,1,0,0|1,0,1]=4 13151 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100009817552_100000740388 [0,1,0,1,0,0|1,0,1]=4 13152 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [0,1,0,1,0,0|1,0,0]=3 13153 B11R1.172 NC(=O)CCCN1CCSC1 269982a_100011215254_100102525003 [0,1,0,1,0,0|2,0,0]=4 13154 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [0,1,0,1,0,0|1,0,0]=3 13155 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [0,1,0,1,0,0|1,0,0]=3 13156 B11R1.172 NC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000744528 [0,1,0,1,0,0|2,0,0]=4 13157 B11R1.172 NC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000744528 [0,1,0,1,0,0|2,0,0]=4 13158 B11R1.172 NC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000731001 [0,1,0,1,0,0|2,0,0]=4 13159 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [0,1,0,1,0,0|1,0,0]=3 13160 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [0,1,0,1,0,0|1,0,0]=3 13161 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [0,1,0,1,0,0|1,0,0]=3 13162 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [0,1,0,1,0,0|1,0,0]=3 13163 B11R1.172 NC(=O)CCOC1CCCO1 34a_100000085407_100000731001 [0,1,0,1,0,0|2,0,0]=4 13164 B11R1.172 NC(=O)CCOC1CCOC1 34a_100000757172_100000690089 [0,1,0,1,0,0|2,0,0]=4 13165 B11R1.172 NC(=O)CCOC1CCOC1 7a_100000757172_100000731011 [0,1,0,1,0,0|2,0,0]=4 13166 B11R1.172 NC(=O)CCOC1CCSC1 7a_100011232664_100000744528 [0,1,0,1,0,0|2,0,0]=4 13167 B11R1.172 NC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000731001 [0,1,0,1,0,0|2,0,0]=4 13168 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [0,1,0,1,0,0|1,0,0]=3 13169 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [0,1,0,1,0,0|1,0,0]=3 13170 B11R1.172 NC(=O)CCSC1CCOC1 62a_100000744528_100000690089 [0,1,0,1,0,0|2,0,0]=4 13171 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [0,1,0,1,0,0|1,0,0]=3 13172 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [0,1,0,1,0,0|1,0,0]=3 13173 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [0,1,0,1,0,0|1,0,0]=3 13174 B11R1.172 NC(=O)CNCC1CCCO1 2230a_100000711301_100000203698 [0,1,0,1,0,0|2,0,0]=4 13175 B11R1.172 NC(=O)CNCC1CCOC1 2230a_100000711301_100000702531 [0,1,0,1,0,0|2,0,0]=4 13176 B11R1.172 NC(=O)CNCC1CCOC1 2230a_100000737293_100000747473 [0,1,0,1,0,0|2,0,0]=4 13177 B11R1.172 NC(=O)CNCC1CCOC1 34a_100000737293_100000187820 [0,1,0,1,0,0|2,0,0]=4 13178 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747473 [0,1,0,1,0,0|2,0,0]=4 13179 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000187820 [0,1,0,1,0,0|2,0,0]=4 13180 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [0,1,0,1,0,0|1,0,0]=3 13181 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [0,1,0,1,0,0|1,0,0]=3 13182 B11R1.172 NC(=O)COCC1CCCO1 34a_100000210270_100000187820 [0,1,0,1,0,0|2,0,0]=4 13183 B11R1.172 NC(=O)COCC1CCCO1 7a_100000210270_100000187820 [0,1,0,1,0,0|2,0,0]=4 13184 B11R1.172 NC(=O)COCC1CCNC1 34a_100000748654_100000187820 [0,1,0,1,0,0|2,0,0]=4 13185 B11R1.172 NC(=O)COCC1CCOC1 34a_100000740260_100000187820 [0,1,0,1,0,0|2,0,0]=4 13186 B11R1.172 NC(=O)COC[C@H]1CCCN1 34a_100000745186_100000187820 [0,1,0,1,0,0|2,0,0]=4 13187 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [0,1,0,1,0,0|1,0,0]=3 13188 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [0,1,0,1,0,0|1,0,0]=3 13189 B11R1.172 NC(=O)CSCC1CCCO1 62a_100000203698_100000747473 [0,1,0,1,0,0|2,0,0]=4 13190 B11R1.172 NC(=O)CSCC1CCCO1 62a_100000747473_100000203698 [0,1,0,1,0,0|2,0,0]=4 13191 B11R1.172 NC(=O)CSCC1CCOC1 62a_100000702531_100000747473 [0,1,0,1,0,0|2,0,0]=4 13192 B11R1.172 NC(=O)CSCC1CCOC1 62a_100000747473_100000702531 [0,1,0,1,0,0|2,0,0]=4 13193 B11R1.172 NC(=O)NCCN1CCCC1 2230a_100000188435_200000034859 [0,1,0,1,0,0|2,0,0]=4 13194 B11R1.172 NC(=O)NCCN1CCCC1 269982a_100000188435_200000034859 [0,1,0,1,0,0|2,0,0]=4 13195 B11R1.172 NC(=O)OCCN1CCCC1 269982a_100000188435_200011214921 [0,1,0,1,0,0|2,0,0]=4 13196 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,1,0,1,0,0|0,0,0]=2 13197 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [0,1,0,1,0,0|1,0,0]=3 13198 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [0,1,0,1,0,0|1,0,0]=3 13199 B11R1.172 O=C(O)CNCC1OCCO1 269956a_100016091260_100000755774 [0,1,0,1,0,0|2,0,0]=4 13200 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [0,1,0,1,0,0|1,0,0]=3 13201 B11R1.172 O=C(O)CONC1CCOC1 269956a_100000106656_100000731011 [0,1,0,1,0,0|2,0,0]=4 13202 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [0,1,0,1,0,0|0,0,1]=3 13203 B11R1.172 O=C([O-])CNCC1CCOC1 34a_100000737293_100020667443 [0,1,0,1,0,0|1,0,1]=4 13204 B11R1.172 O=C([O-])CNC[C@@H]1CCCO1 34a_100020590478_100020667443 [0,1,0,1,0,0|1,0,1]=4 13205 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [0,1,0,1,0,0|0,0,1]=3 13206 B11R1.172 O=C([O-])COCC1CCCO1 34a_100000210270_100020667443 [0,1,0,1,0,0|1,0,1]=4 13207 B11R1.172 O=C([O-])COCC1CCNC1 34a_100000748654_100020667443 [0,1,0,1,0,0|1,0,1]=4 13208 B11R1.172 O=C([O-])COCC1CCOC1 34a_100000740260_100020667443 [0,1,0,1,0,0|1,0,1]=4 13209 B11R1.172 O=C([O-])COC[C@H]1CCCN1 34a_100000745186_100020667443 [0,1,0,1,0,0|1,0,1]=4 13210 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [0,1,0,1,0,0|0,0,1]=3 13211 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [0,1,0,1,0,0|0,0,1]=3 13212 B11R1.172 O=C([O-])CSCC1CCCO1 62a_100000203698_100020667443 [0,1,0,1,0,0|1,0,1]=4 13213 B11R1.172 O=C([O-])CSCC1CCCO1 62a_100020667443_100000203698 [0,1,0,1,0,0|1,0,1]=4 13214 B11R1.172 O=C([O-])CSCC1CCOC1 62a_100000702531_100020667443 [0,1,0,1,0,0|1,0,1]=4 13215 B11R1.172 O=C([O-])CSCC1CCOC1 62a_100020667443_100000702531 [0,1,0,1,0,0|1,0,1]=4 13216 B11R1.172 O=[N+]([O-])CNCC1CCCC1 34a_100000737975_100000761209 [0,1,0,1,0,0|1,0,1]=4 13217 B11R1.172 O=[N+]([O-])COCC1CCCC1 34a_100000742336_100000761209 [0,1,0,1,0,0|1,0,1]=4 13218 B11R1.172 O=[N+]([O-])CSCC1CCCC1 62a_100000740388_100000761209 [0,1,0,1,0,0|1,0,1]=4 13219 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,1,0,1,0,0|1,0,0]=3 13220 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,1,0,1,0,0|2,0,0]=4 13221 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,1,0,1,0,0|2,0,0]=4 13222 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,1,0,1,0,0|1,0,1]=4 13223 B11R1.201 CCCC(C)SC1CC(=O)C1 62a_100009894365_100000766640 [0,1,0,1,0,0|2,0,0]=4 13224 B11R1.201 CCCN(C)CC1CC(=O)C1 2230a_100000747261_100009874392 [0,1,0,1,0,0|2,0,0]=4 13225 B11R1.201 CCCN(C)CC1CC(=O)C1 269982a_100000747261_100009874392 [0,1,0,1,0,0|2,0,0]=4 13226 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 13227 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 13228 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 13229 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,1,0,1,0,0|2,0,0]=4 13230 B11R1.565 CC(=O)N1CCCC(CC1)O 240690a_100015186869_100015343762 [0,1,0,1,0,0|2,0,0]=4 13231 B11R1.565 CC(=O)N1CCCC(CC1)O 527a_100015186869_100103153847 [0,1,0,1,0,0|2,0,0]=4 13232 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,1,0,0|1,0,0]=3 13233 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,1,0,0|1,0,0]=3 13234 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,1,0,1,0,0|1,0,1]=4 13235 B11R1.720 CC(=O)CCCN(C)C1CC1 269982a_100000226674_100011215641 [0,1,0,1,0,0|2,0,0]=4 13236 B11R1.720 CC(=O)CCOC(C)C1CC1 7a_100000744524_100000053229 [0,1,0,1,0,0|2,0,0]=4 13237 B11R1.720 CC(NCCC(=O)N)C1CC1 2230a_100000700016_100000744528 [0,1,0,1,0,0|2,0,0]=4 13238 B11R1.720 CC(NCCC(=O)N)C1CC1 269862a_100000740010_100000210639 [0,1,0,1,0,0|2,0,0]=4 13239 B11R1.720 CC(NCCC(=O)N)C1CC1 34a_100000700016_100000731001 [0,1,0,1,0,0|2,0,0]=4 13240 B11R1.720 CC(OCCC(=O)N)C1CC1 34a_100000744524_100000731001 [0,1,0,1,0,0|2,0,0]=4 13241 B11R1.720 CC(OCCC(=O)N)C1CC1 7a_100000744524_100000744528 [0,1,0,1,0,0|2,0,0]=4 13242 B11R1.720 CN(CCCC(=O)N)C1CC1 269982a_100000226674_100102525003 [0,1,0,1,0,0|2,0,0]=4 13243 B11R1.720 CN(CCCC(=O)O)C1CC1 269956a_100000719178_100000211595 [0,1,0,1,0,0|1,0,0]=3 13244 B11R1.720 NC(=O)CCCC(=O)C1CC1 1458a_100000210395_100102525003 [0,1,0,1,0,0|1,0,1]=4 13245 B11R1.720 NC(=O)CNCC(O)C1CC1 2230a_100000751198_100000747473 [0,1,0,1,0,0|2,0,0]=4 13246 B11R1.720 NC(=O)CNCC(O)C1CC1 34a_100000751198_100000187820 [0,1,0,1,0,0|2,0,0]=4 13247 B11R1.720 NC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000187820 [0,1,0,1,0,0|2,0,0]=4 13248 B11R1.720 N[C@@H](COCC(=O)[O-])C1CC1 34a_100020623730_100020667443 [0,1,0,1,0,0|1,0,1]=4 13249 B11R1.720 O=C(O)CNCC(=O)C1CC1 269956a_100016091260_100000746382 [0,1,0,1,0,0|1,0,1]=4 13250 B11R1.720 O=C([O-])CNCC(O)C1CC1 34a_100000751198_100020667443 [0,1,0,1,0,0|1,0,1]=4 13251 B11R1.924 CC(=O)CCOC1(CCC1)C 7a_100000759064_100000053229 [0,1,0,1,0,0|2,0,0]=4 13252 B11R1.924 CC(=O)COCC1(CCC1)C 34a_100000211253_100000726658 [0,1,0,1,0,0|2,0,0]=4 13253 B11R1.924 CC1(CCC1)CNCC(=O)N 2230a_100000706607_100000747473 [0,1,0,1,0,0|2,0,0]=4 13254 B11R1.924 CC1(CCC1)CNCC(=O)N 2230a_100000711301_100000726658 [0,1,0,1,0,0|2,0,0]=4 13255 B11R1.924 CC1(CCC1)CNCC(=O)O 269956a_100016091260_100000726658 [0,1,0,1,0,0|1,0,0]=3 13256 B11R1.924 CC1(CCC1)CSCC(=O)N 62a_100000726658_100000747473 [0,1,0,1,0,0|2,0,0]=4 13257 B11R1.924 CC1(CCC1)CSCC(=O)N 62a_100000747473_100000726658 [0,1,0,1,0,0|2,0,0]=4 13258 B11R1.924 CC1(CCC1)CSCC(=O)[O-] 62a_100000726658_100020667443 [0,1,0,1,0,0|1,0,1]=4 13259 B11R1.924 CC1(CCC1)CSCC(=O)[O-] 62a_100020667443_100000726658 [0,1,0,1,0,0|1,0,1]=4 13260 B11R1.924 CC1(CCC1)NCCC(=O)N 2230a_100000692455_100000744528 [0,1,0,1,0,0|2,0,0]=4 13261 B11R1.924 CC1(CCC1)NCCC(=O)N 34a_100000692455_100000731001 [0,1,0,1,0,0|2,0,0]=4 13262 B11R1.924 CC1(CCC1)OCCC(=O)N 34a_100000759064_100000731001 [0,1,0,1,0,0|2,0,0]=4 13263 B11R1.924 CC1(CCC1)OCCC(=O)N 7a_100000759064_100000744528 [0,1,0,1,0,0|2,0,0]=4 13264 B11R1.924 CC1(COC1)CNCC(=O)O 269956a_100016091260_100000066812 [0,1,0,1,0,0|2,0,0]=4 13265 B11R1.924 NC(=O)CNCC1(CCC1)O 2230a_100000752638_100000747473 [0,1,0,1,0,0|2,0,0]=4 13266 B11R1.24 CCCCN1CCCC(C1)O 2230a_100000211013_100000210211 [0,1,0,1,0,0|1,0,1]=4 13267 B11R1.24 CCCCN1CCCC(C1)O 269982a_100000211013_100000210211 [0,1,0,1,0,0|1,0,1]=4 13268 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,1,0,1,0,0|2,0,0]=4 13269 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|2,0,0]=4 13270 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,1,0,1,0,0|1,0,1]=4 13271 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,1,0,1,0,0|1,0,1]=4 13272 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,1,0,1,0,0|2,0,0]=4 13273 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,1,0,1,0,0|2,0,0]=4 13274 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,1,0,1,0,0|2,0,0]=4 13275 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,1,0,0|1,0,0]=3 13276 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,1,0,1,0,0|2,0,0]=4 13277 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,1,0,1,0,0|1,0,1]=4 13278 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,1,0,1,0,0|1,0,0]=3 13279 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,1,0,1,0,0|2,0,0]=4 13280 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,1,0,1,0,0|2,0,0]=4 13281 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,1,0,1,0,0|2,0,0]=4 13282 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,1,0,1,0,0|2,0,0]=4 13283 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,1,0,0|2,0,0]=4 13284 B11R1.24 O=C1CCCC(N1)COCF 34a_200000102386_100015361967 [0,1,0,1,0,0|2,0,0]=4 13285 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,1,0,1,0,0|1,0,1]=4 13286 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,1,0,1,0,0|1,0,1]=4 13287 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,1,0,1,0,0|2,0,0]=4 13288 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,1,0,1,0,0|1,0,1]=4 13289 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,1,0,1,0,0|2,0,0]=4 13290 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,1,0,1,0,0|1,0,1]=4 13291 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,1,0,1,0,0|1,0,0]=3 13292 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,1,0,1,0,0|2,0,0]=4 13293 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,1,0,1,0,0|1,0,0]=3 13294 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,1,0,1,0,0|1,0,0]=3 13295 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,1,0,1,0,0|2,0,0]=4 13296 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,1,0,1,0,0|2,0,0]=4 13297 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,1,0,1,0,0|1,0,0]=3 13298 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,1,0,1,0,0|1,0,0]=3 13299 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,1,0,1,0,0|1,0,0]=3 13300 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,1,0,1,0,0|2,0,0]=4 13301 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,1,0,1,0,0|1,0,0]=3 13302 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,1,0,1,0,0|1,0,0]=3 13303 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,1,0,1,0,0|1,0,0]=3 13304 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,1,0,1,0,0|2,0,0]=4 13305 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,1,0,1,0,0|1,0,0]=3 13306 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,1,0,1,0,0|1,0,0]=3 13307 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,1,0,1,0,0|1,0,0]=3 13308 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,1,0,1,0,0|1,0,0]=3 13309 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,1,0,1,0,0|1,0,0]=3 13310 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,1,0,1,0,0|1,0,0]=3 13311 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,1,0,1,0,0|2,0,0]=4 13312 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,1,0,1,0,0|2,0,0]=4 13313 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [0,1,0,1,0,0|2,0,0]=4 13314 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [0,1,0,1,0,0|2,0,0]=4 13315 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,1,0,1,0,0|2,0,0]=4 13316 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [0,1,0,1,0,0|2,0,0]=4 13317 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [0,1,0,1,0,0|2,0,0]=4 13318 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [0,1,0,1,0,0|2,0,0]=4 13319 B11R1.27 COCSCC1CNC(=O)O1 62a_100000181169_100000766300 [0,1,0,1,0,0|2,0,0]=4 13320 B11R1.27 COCSCC1CNC(=O)O1 62a_100000766300_100000181169 [0,1,0,1,0,0|2,0,0]=4 13321 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,1,0,1,0,0|2,0,0]=4 13322 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,1,0,1,0,0|2,0,0]=4 13323 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [0,1,0,1,0,0|2,0,0]=4 13324 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [0,1,0,1,0,0|2,0,0]=4 13325 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,1,0,1,0,0|2,0,0]=4 13326 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [0,1,0,1,0,0|2,0,0]=4 13327 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [0,1,0,1,0,0|2,0,0]=4 13328 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [0,1,0,1,0,0|2,0,0]=4 13329 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [0,1,0,1,0,0|2,0,0]=4 13330 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [0,1,0,1,0,0|2,0,0]=4 13331 B11R1.27 CSCOCC1CNC(=O)O1 34a_100011315639_100011218213 [0,1,0,1,0,0|2,0,0]=4 13332 B11R1.27 CSCSCC1CNC(=O)O1 62a_100000181169_100011218213 [0,1,0,1,0,0|2,0,0]=4 13333 B11R1.27 CSCSCC1CNC(=O)O1 62a_100011218213_100000181169 [0,1,0,1,0,0|2,0,0]=4 13334 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,1,0,1,0,0|2,0,0]=4 13335 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,1,0,1,0,0|2,0,0]=4 13336 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [0,1,0,1,0,0|2,0,0]=4 13337 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [0,1,0,1,0,0|2,0,0]=4 13338 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,1,0,1,0,0|2,0,0]=4 13339 B11R1.27 NCCOCC1CNC(=O)O1 34a_100000210304_100000181169 [0,1,0,1,0,0|2,0,0]=4 13340 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,1,0,1,0,0|2,0,0]=4 13341 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,1,0,1,0,0|2,0,0]=4 13342 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,1,0,1,0,0|2,0,0]=4 13343 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [0,1,0,1,0,0|2,0,0]=4 13344 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,1,0,1,0,0|2,0,0]=4 13345 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [0,1,0,1,0,0|2,0,0]=4 13346 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [0,1,0,1,0,0|2,0,0]=4 13347 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,1,0,1,0,0|2,0,0]=4 13348 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,1,0,1,0,0|2,0,0]=4 13349 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,1,0,1,0,0|2,0,0]=4 13350 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,1,0,1,0,0|2,0,0]=4 13351 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,1,0,1,0,0|2,0,0]=4 13352 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,1,0,1,0,0|2,0,0]=4 13353 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,1,0,1,0,0|2,0,0]=4 13354 B11R1.27 O=C1NCC(O1)CNCCF 34a_100000724931_100000181169 [0,1,0,1,0,0|2,0,0]=4 13355 B11R1.27 O=C1NCC(O1)CNCCO 2230a_100016997473_100000181169 [0,1,0,1,0,0|2,0,0]=4 13356 B11R1.27 O=C1NCC(O1)CNCCO 34a_100016990907_100000181169 [0,1,0,1,0,0|2,0,0]=4 13357 B11R1.27 O=C1NCC(O1)COCCBr 34a_100000211926_100000181169 [0,1,0,1,0,0|2,0,0]=4 13358 B11R1.27 O=C1NCC(O1)COCCF 34a_100011315639_100011217306 [0,1,0,1,0,0|2,0,0]=4 13359 B11R1.27 O=C1NCC(O1)COCCO 34a_100011315639_100000211926 [0,1,0,1,0,0|2,0,0]=4 13360 B11R1.27 O=C1NCC(O1)CSCCF 62a_100000181169_100011217306 [0,1,0,1,0,0|2,0,0]=4 13361 B11R1.27 O=C1NCC(O1)CSCCF 62a_100011217306_100000181169 [0,1,0,1,0,0|2,0,0]=4 13362 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000181169_100000211926 [0,1,0,1,0,0|2,0,0]=4 13363 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000211926_100000181169 [0,1,0,1,0,0|2,0,0]=4 13364 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,1,0,1,0,0|2,0,0]=4 13365 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,1,0,1,0,0|2,0,0]=4 13366 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,1,0,1,0,0|2,0,0]=4 13367 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,1,0,1,0,0|2,0,0]=4 13368 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,1,0,1,0,0|2,0,0]=4 13369 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,1,0,1,0,0|2,0,0]=4 13370 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,1,0,1,0,0|2,0,0]=4 13371 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [0,1,0,1,0,0|2,0,0]=4 13372 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [0,1,0,1,0,0|2,0,0]=4 13373 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [0,1,0,1,0,0|2,0,0]=4 13374 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [0,1,0,1,0,0|2,0,0]=4 13375 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [0,1,0,1,0,0|2,0,0]=4 13376 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,1,0,1,0,0|2,0,0]=4 13377 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,1,0,1,0,0|2,0,0]=4 13378 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,1,0,1,0,0|1,0,0]=3 13379 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,1,0,1,0,0|1,0,0]=3 13380 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,1,0,1,0,0|1,0,0]=3 13381 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,1,0,1,0,0|1,0,0]=3 13382 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,1,0,1,0,0|1,0,0]=3 13383 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,1,0,1,0,0|1,0,0]=3 13384 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,1,0,1,0,0|1,0,0]=3 13385 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,1,0,1,0,0|1,0,0]=3 13386 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,1,0,1,0,0|1,0,0]=3 13387 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|0,0,0]=2 13388 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,1,0,1,0,0|1,0,0]=3 13389 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,1,0,1,0,0|1,0,0]=3 13390 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,1,0,1,0,0|1,0,0]=3 13391 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 13392 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 13393 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 13394 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,1,0,1,0,0|2,0,0]=4 13395 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,1,0,1,0,0|0,0,0]=2 13396 B11R1.53 NC(=O)C1CCCCN1CF 269982a_100000181395_100015361967 [0,1,0,1,0,0|2,0,0]=4 13397 B11R1.53 NC(=O)C1CCCCN1CF 34a_100000181395_100015361967 [0,1,0,1,0,0|2,0,0]=4 13398 B11R1.53 O=C(O)C1CCSCN1CF 269956a_100015185162_100015361967 [0,1,0,1,0,0|2,0,0]=4 13399 B11R1.53 O=C(O)C1CSCCN1CF 269956a_100011346106_100015361967 [0,1,0,1,0,0|2,0,0]=4 13400 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,1,0,1,0,0|1,0,0]=3 13401 B11R1.53 O=C(O)[C@H]1COCCN1CF 269956a_100016993156_100015361967 [0,1,0,1,0,0|2,0,0]=4 13402 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,1,0,1,0,0|0,0,0]=2 13403 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [0,1,0,1,0,0|2,0,0]=4 13404 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [0,1,0,1,0,0|2,0,0]=4 13405 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [0,1,0,1,0,0|2,0,0]=4 13406 B11R1.57 C=C(F)CN1CCCC1CC 2230a_100000754278_100009893438 [0,1,0,1,0,0|2,0,0]=4 13407 B11R1.57 C=C(F)CN1CCCC1CC 269982a_100000754278_100009893438 [0,1,0,1,0,0|2,0,0]=4 13408 B11R1.57 C=C(F)CN1CCCC1CC 34a_100000754278_100009893438 [0,1,0,1,0,0|2,0,0]=4 13409 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,1,0,1,0,0|1,0,0]=3 13410 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,1,0,1,0,0|1,0,0]=3 13411 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,1,0,1,0,0|1,0,0]=3 13412 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,1,0,1,0,0|0,0,1]=3 13413 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,1,0,1,0,0|0,0,1]=3 13414 B11R1.57 CCC1CCCN1CC(C)O 2230a_100000754278_100011218427 [0,1,0,1,0,0|1,0,1]=4 13415 B11R1.57 CCC1CCCN1CC(C)O 269982a_100000754278_100011218427 [0,1,0,1,0,0|1,0,1]=4 13416 B11R1.57 CCC1CCCN1CC(C)O 34a_100000754278_100011218427 [0,1,0,1,0,0|1,0,1]=4 13417 B11R1.57 CCC1CCCN1C[C@@H](C)O 2230a_100000754278_100009817552 [0,1,0,1,0,0|1,0,1]=4 13418 B11R1.57 CCC1CCCN1C[C@@H](C)O 269982a_100000754278_100009817552 [0,1,0,1,0,0|1,0,1]=4 13419 B11R1.57 CCC1CCCN1C[C@@H](C)O 34a_100000754278_100009817552 [0,1,0,1,0,0|1,0,1]=4 13420 B11R1.57 CCC1CCCN1C[N+](=O)[O-] 269982a_100000754278_100000761209 [0,1,0,1,0,0|1,0,1]=4 13421 B11R1.57 CCC1CCCN1C[N+](=O)[O-] 34a_100000754278_100000761209 [0,1,0,1,0,0|1,0,1]=4 13422 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747473 [0,1,0,1,0,0|2,0,0]=4 13423 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000187820 [0,1,0,1,0,0|2,0,0]=4 13424 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000187820 [0,1,0,1,0,0|2,0,0]=4 13425 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 269982a_100000745186_100020667443 [0,1,0,1,0,0|1,0,1]=4 13426 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 34a_100000745186_100020667443 [0,1,0,1,0,0|1,0,1]=4 13427 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [0,1,0,1,0,0|2,0,0]=4 13428 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [0,1,0,1,0,0|2,0,0]=4 13429 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [0,1,0,1,0,0|2,0,0]=4 13430 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [0,1,0,1,0,0|2,0,0]=4 13431 B11R1.78 CCCCCCN1CC(C1)O 269982a_100000749847_100000210757 [0,1,0,1,0,0|1,0,1]=4 13432 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210326 [0,1,0,1,0,0|1,0,1]=4 13433 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,1,0,1,0,0|1,0,0]=3 13434 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,1,0,1,0,0|1,0,0]=3 13435 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,1,0,1,0,0|1,0,0]=3 13436 B11R1.78 CCCCNCC1CC(C1)O 2230a_100016992100_100000210211 [0,1,0,1,0,0|1,0,1]=4 13437 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,1,0,1,0,0|1,0,0]=3 13438 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,1,0,1,0,0|1,0,0]=3 13439 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,1,0,1,0,0|1,0,0]=3 13440 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,1,0,1,0,0|1,0,0]=3 13441 B11R1.78 CCOCCSC1CC(=O)C1 62a_100009894365_100011215890 [0,1,0,1,0,0|2,0,0]=4 13442 B11R1.78 CCOCSCC1CC(=O)C1 62a_100000739092_100009874392 [0,1,0,1,0,0|2,0,0]=4 13443 B11R1.78 CCOCSCC1CC(=O)C1 62a_100009874392_100000739092 [0,1,0,1,0,0|2,0,0]=4 13444 B11R1.78 CCSCCSC1CC(=O)C1 62a_100009894365_100000757381 [0,1,0,1,0,0|2,0,0]=4 13445 B11R1.78 COCCCSC1CC(=O)C1 62a_100009894365_100000709357 [0,1,0,1,0,0|2,0,0]=4 13446 B11R1.78 COCCNCC1CC(=O)C1 2230a_100000209980_100009874392 [0,1,0,1,0,0|2,0,0]=4 13447 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [0,1,0,1,0,0|2,0,0]=4 13448 B11R1.78 COCCSCC1CC(=O)C1 62a_100000233755_100009874392 [0,1,0,1,0,0|2,0,0]=4 13449 B11R1.78 COCCSCC1CC(=O)C1 62a_100009874392_100000233755 [0,1,0,1,0,0|2,0,0]=4 13450 B11R1.78 CSCCNCC1CC(=O)C1 2230a_100020590264_100009874392 [0,1,0,1,0,0|2,0,0]=4 13451 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [0,1,0,1,0,0|2,0,0]=4 13452 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [0,1,0,1,0,0|2,0,0]=4 13453 B11R1.78 CSCCSCC1CC(=O)C1 62a_100000212216_100009874392 [0,1,0,1,0,0|2,0,0]=4 13454 B11R1.78 CSCCSCC1CC(=O)C1 62a_100009874392_100000751147 [0,1,0,1,0,0|2,0,0]=4 13455 B11R1.78 O=C1CC(C1)CNCCCF 2230a_100015189416_100009874392 [0,1,0,1,0,0|2,0,0]=4 13456 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [0,1,0,1,0,0|2,0,0]=4 13457 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [0,1,0,1,0,0|2,0,0]=4 13458 B11R1.78 O=C1CC(C1)CSCCCF 62a_100009874392_100011934791 [0,1,0,1,0,0|2,0,0]=4 13459 B11R1.78 O=C1CC(C1)CSCCCF 62a_100011934791_100009874392 [0,1,0,1,0,0|2,0,0]=4 13460 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [0,1,0,1,0,0|2,0,0]=4 13461 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [0,1,0,1,0,0|2,0,0]=4 13462 B11R1.78 O=C1CC(C1)SCCCCF 62a_100009894365_100000729493 [0,1,0,1,0,0|2,0,0]=4 13463 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [0,1,0,1,0,0|2,0,0]=4 13464 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [0,1,0,1,0,0|2,0,0]=4 13465 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [0,1,0,1,0,0|2,0,0]=4 13466 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [0,1,0,1,0,0|2,0,0]=4 13467 B11R1.86 C=C(F)CN1CCCCC1C 2230a_100000211376_100009893438 [0,1,0,1,0,0|2,0,0]=4 13468 B11R1.86 C=C(F)CN1CCCCC1C 269982a_100000211376_100009893438 [0,1,0,1,0,0|2,0,0]=4 13469 B11R1.86 C=C(F)CN1CCCCC1C 34a_100000211376_100009893438 [0,1,0,1,0,0|2,0,0]=4 13470 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,1,0,1,0,0|1,0,0]=3 13471 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,1,0,1,0,0|1,0,0]=3 13472 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,1,0,1,0,0|1,0,0]=3 13473 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,1,0,1,0,0|1,0,0]=3 13474 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,1,0,1,0,0|1,0,0]=3 13475 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,1,0,1,0,0|2,0,0]=4 13476 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,1,0,1,0,0|2,0,0]=4 13477 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,1,0,1,0,0|2,0,0]=4 13478 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,1,0,1,0,0|2,0,0]=4 13479 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,1,0,1,0,0|2,0,0]=4 13480 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,1,0,1,0,0|2,0,0]=4 13481 B11R1.86 CC(O)CN1CCCCC1C 2230a_100000211376_100011218427 [0,1,0,1,0,0|1,0,1]=4 13482 B11R1.86 CC(O)CN1CCCCC1C 269982a_100000211376_100011218427 [0,1,0,1,0,0|1,0,1]=4 13483 B11R1.86 CC(O)CN1CCCCC1C 34a_100000211376_100011218427 [0,1,0,1,0,0|1,0,1]=4 13484 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,1,0,1,0,0|1,0,0]=3 13485 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,1,0,1,0,0|1,0,0]=3 13486 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,1,0,1,0,0|1,0,0]=3 13487 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,1,0,1,0,0|0,0,1]=3 13488 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,1,0,1,0,0|0,0,1]=3 13489 B11R1.86 CC1CCCCN1C[C@@H](C)O 2230a_100000211376_100009817552 [0,1,0,1,0,0|1,0,1]=4 13490 B11R1.86 CC1CCCCN1C[C@@H](C)O 269982a_100000211376_100009817552 [0,1,0,1,0,0|1,0,1]=4 13491 B11R1.86 CC1CCCCN1C[C@@H](C)O 34a_100000211376_100009817552 [0,1,0,1,0,0|1,0,1]=4 13492 B11R1.86 CC1CCCCN1C[N+](=O)[O-] 269982a_100000211376_100000761209 [0,1,0,1,0,0|1,0,1]=4 13493 B11R1.86 CC1CCCCN1C[N+](=O)[O-] 34a_100000211376_100000761209 [0,1,0,1,0,0|1,0,1]=4 13494 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,1,0,1,0,0|1,0,0]=3 13495 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,1,0,1,0,0|1,0,0]=3 13496 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,1,0,1,0,0|1,0,0]=3 13497 B11R1.86 C[C@H]1COCCN1CC(=O)N 2230a_100009815349_100000747473 [0,1,0,1,0,0|2,0,0]=4 13498 B11R1.86 C[C@H]1COCCN1CC(=O)N 269982a_100009815349_100000187820 [0,1,0,1,0,0|2,0,0]=4 13499 B11R1.86 C[C@H]1COCCN1CC(=O)N 34a_100009815349_100000187820 [0,1,0,1,0,0|2,0,0]=4 13500 B11R1.86 C[C@H]1COCCN1CC(=O)[O-] 269982a_100009815349_100020667443 [0,1,0,1,0,0|1,0,1]=4 13501 B11R1.86 C[C@H]1COCCN1CC(=O)[O-] 34a_100009815349_100020667443 [0,1,0,1,0,0|1,0,1]=4 13502 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,1,0,1,0,0|1,0,0]=3 13503 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,1,0,1,0,0|1,0,0]=3 13504 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,1,0,1,0,0|1,0,0]=3 13505 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,1,0,1,0,0|2,0,0]=4 13506 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,1,0,1,0,0|2,0,0]=4 13507 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,1,0,1,0,0|2,0,0]=4 13508 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,1,0,1,0,0|2,0,0]=4 13509 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,1,0,1,0,0|2,0,0]=4 13510 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,1,0,1,0,0|2,0,0]=4 13511 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,1,0,1,0,0|2,0,0]=4 13512 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [0,1,0,1,0,0|2,0,0]=4 13513 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [0,1,0,1,0,0|2,0,0]=4 13514 B11R1.91 C=C(F)COC1CCCCC1 34a_100000210231_100009893438 [0,1,0,1,0,0|2,0,0]=4 13515 B11R1.91 C=C(F)COC1CCCCC1 34a_200010262243_100000210327 [0,1,0,1,0,0|2,0,0]=4 13516 B11R1.91 C=C(F)COC1CCCCC1 7a_100000210231_100000042424 [0,1,0,1,0,0|2,0,0]=4 13517 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000042424_100000210327 [0,1,0,1,0,0|2,0,0]=4 13518 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000210327_100000042424 [0,1,0,1,0,0|2,0,0]=4 13519 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,1,0,1,0,0|1,0,1]=4 13520 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,1,0,1,0,0|1,0,0]=3 13521 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,1,0,1,0,0|1,0,0]=3 13522 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,1,0,1,0,0|1,0,0]=3 13523 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,1,0,1,0,0|2,0,0]=4 13524 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,1,0,1,0,0|1,0,0]=3 13525 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,1,0,1,0,0|1,0,0]=3 13526 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,1,0,1,0,0|2,0,0]=4 13527 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [0,1,0,1,0,0|2,0,0]=4 13528 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [0,1,0,1,0,0|2,0,0]=4 13529 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [0,1,0,1,0,0|2,0,0]=4 13530 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [0,1,0,1,0,0|2,0,0]=4 13531 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [0,1,0,1,0,0|2,0,0]=4 13532 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,1,0,1,0,0|1,0,0]=3 13533 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,1,0,1,0,0|1,0,0]=3 13534 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,1,0,1,0,0|1,0,0]=3 13535 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,1,0,1,0,0|2,0,0]=4 13536 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,1,0,1,0,0|2,0,0]=4 13537 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,1,0,1,0,0|1,0,0]=3 13538 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,1,0,1,0,0|1,0,0]=3 13539 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,1,0,1,0,0|1,0,0]=3 13540 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,1,0,1,0,0|1,0,0]=3 13541 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,1,0,1,0,0|2,0,0]=4 13542 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,1,0,1,0,0|2,0,0]=4 13543 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,1,0,1,0,0|2,0,0]=4 13544 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,1,0,1,0,0|2,0,0]=4 13545 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,1,0,1,0,0|2,0,0]=4 13546 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,1,0,1,0,0|2,0,0]=4 13547 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,1,0,1,0,0|2,0,0]=4 13548 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,1,0,1,0,0|2,0,0]=4 13549 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,1,0,1,0,0|2,0,0]=4 13550 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,1,0,1,0,0|2,0,0]=4 13551 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,1,0,1,0,0|2,0,0]=4 13552 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,1,0,1,0,0|2,0,0]=4 13553 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,1,0,1,0,0|2,0,0]=4 13554 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,1,0,1,0,0|2,0,0]=4 13555 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,1,0,1,0,0|2,0,0]=4 13556 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,1,0,1,0,0|2,0,0]=4 13557 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,1,0,1,0,0|1,0,1]=4 13558 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,1,0,1,0,0|1,0,1]=4 13559 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,1,0,1,0,0|1,0,1]=4 13560 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,1,0,1,0,0|1,0,1]=4 13561 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,1,0,1,0,0|1,0,1]=4 13562 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,1,0,1,0,0|1,0,1]=4 13563 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [0,1,0,1,0,0|1,0,1]=4 13564 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [0,1,0,1,0,0|1,0,1]=4 13565 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,1,0,1,0,0|1,0,1]=4 13566 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,1,0,1,0,0|1,0,1]=4 13567 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,1,0,1,0,0|1,0,1]=4 13568 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,1,0,1,0,0|1,0,1]=4 13569 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [0,1,0,1,0,0|1,0,1]=4 13570 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [0,1,0,1,0,0|1,0,1]=4 13571 B11R1.91 NC(=O)CCN1CCCOC1 2230a_100000131196_100000744528 [0,1,0,1,0,0|2,0,0]=4 13572 B11R1.91 NC(=O)CCN1CCCOC1 269982a_100000131196_100000744528 [0,1,0,1,0,0|2,0,0]=4 13573 B11R1.91 NC(=O)CCN1CCCOC1 34a_100000131196_100000731001 [0,1,0,1,0,0|2,0,0]=4 13574 B11R1.91 NC(=O)CCN1CCOCC1 2230a_100015191051_100000744528 [0,1,0,1,0,0|2,0,0]=4 13575 B11R1.91 NC(=O)CCN1CCOCC1 269982a_100015191051_100000744528 [0,1,0,1,0,0|2,0,0]=4 13576 B11R1.91 NC(=O)CCN1CCOCC1 34a_100015191051_100000731001 [0,1,0,1,0,0|2,0,0]=4 13577 B11R1.91 NC(=O)CCN1CCSCC1 2230a_100000737611_100000744528 [0,1,0,1,0,0|2,0,0]=4 13578 B11R1.91 NC(=O)CCN1CCSCC1 269982a_100000737611_100000744528 [0,1,0,1,0,0|2,0,0]=4 13579 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,1,0,1,0,0|1,0,0]=3 13580 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,1,0,1,0,0|1,0,0]=3 13581 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,1,0,1,0,0|2,0,0]=4 13582 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,1,0,1,0,0|2,0,0]=4 13583 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [0,1,0,1,0,0|2,0,0]=4 13584 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [0,1,0,1,0,0|2,0,0]=4 13585 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [0,1,0,1,0,0|2,0,0]=4 13586 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [0,1,0,1,0,0|2,0,0]=4 13587 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,1,0,1,0,0|1,0,0]=3 13588 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,1,0,1,0,0|1,0,0]=3 13589 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [0,1,0,1,0,0|2,0,0]=4 13590 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,1,0,1,0,0|2,0,0]=4 13591 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [0,1,0,1,0,0|2,0,0]=4 13592 B11R1.91 NC(=O)COC1CCOCC1 34a_100000744328_100000187820 [0,1,0,1,0,0|2,0,0]=4 13593 B11R1.91 NC(=O)COC1CCSCC1 34a_100000731022_100000187820 [0,1,0,1,0,0|2,0,0]=4 13594 B11R1.91 NC(=O)COC1CCSCC1 7a_100000731022_100000187820 [0,1,0,1,0,0|2,0,0]=4 13595 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,1,0,1,0,0|1,0,0]=3 13596 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,1,0,1,0,0|1,0,0]=3 13597 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,1,0,1,0,0|2,0,0]=4 13598 B11R1.91 NC(=O)CSC1CCOCC1 62a_100000747473_100011324220 [0,1,0,1,0,0|2,0,0]=4 13599 B11R1.91 NC(=O)CSC1CCSCC1 62a_100000747473_100000069128 [0,1,0,1,0,0|2,0,0]=4 13600 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [0,1,0,1,0,0|0,0,2]=4 13601 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,1,0,1,0,0|0,0,0]=2 13602 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,1,0,1,0,0|1,0,0]=3 13603 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,1,0,1,0,0|1,0,0]=3 13604 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,1,0,1,0,0|1,0,0]=3 13605 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,1,0,1,0,0|0,0,1]=3 13606 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,1,0,1,0,0|1,0,1]=4 13607 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [0,1,0,1,0,0|1,0,1]=4 13608 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [0,1,0,1,0,0|1,0,1]=4 13609 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,1,0,1,0,0|0,0,1]=3 13610 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [0,1,0,1,0,0|1,0,1]=4 13611 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,1,0,1,0,0|1,0,1]=4 13612 B11R1.91 O=C([O-])COC1CCOCC1 34a_100000744328_100020667443 [0,1,0,1,0,0|1,0,1]=4 13613 B11R1.91 O=C([O-])COC1CCSCC1 34a_100000731022_100020667443 [0,1,0,1,0,0|1,0,1]=4 13614 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,1,0,1,0,0|0,0,1]=3 13615 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,1,0,1,0,0|0,0,1]=3 13616 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,1,0,1,0,0|1,0,1]=4 13617 B11R1.91 O=C([O-])CSC1CCOCC1 62a_100020667443_100011324220 [0,1,0,1,0,0|1,0,1]=4 13618 B11R1.91 O=C([O-])CSC1CCSCC1 62a_100020667443_100000069128 [0,1,0,1,0,0|1,0,1]=4 13619 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [0,1,0,1,0,0|1,0,1]=4 13620 B11R1.91 O=[N+]([O-])COC1CCCCC1 34a_100000210231_100000761209 [0,1,0,1,0,0|1,0,1]=4 13621 B11R1.91 O=[N+]([O-])CSC1CCCCC1 62a_100000210327_100000761209 [0,1,0,1,0,0|1,0,1]=4 13622 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,1,0,1,0,0|1,0,1]=4 13623 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,1,0,1,0,0|1,0,0]=3 13624 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,1,0,1,0,0|1,0,0]=3 13625 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,1,0,1,0,0|2,0,0]=4 13626 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [0,1,0,1,0,0|2,0,0]=4 13627 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,1,0,1,0,0|1,0,0]=3 13628 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,1,0,1,0,0|1,0,1]=4 13629 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,1,0,1,0,0|1,0,1]=4 13630 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,1,0,1,0,0|1,0,1]=4 13631 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,1,0,1,0,0|1,0,1]=4 13632 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,1,0,1,0,0|1,0,1]=4 13633 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,1,0,1,0,0|1,0,1]=4 13634 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,1,0,1,0,0|1,0,1]=4 13635 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,1,0,1,0,0|1,0,1]=4 13636 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,1,0,1,0,0|1,0,1]=4 13637 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,1,0,1,0,0|1,0,1]=4 13638 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,1,0,1,0,0|1,0,1]=4 13639 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,1,0,1,0,0|1,0,1]=4 13640 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,1,0,1,0,0|1,0,1]=4 13641 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,1,0,1,0,0|1,0,1]=4 13642 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,1,0,1,0,0|1,0,1]=4 13643 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,1,0,1,0,0|1,0,1]=4 13644 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,1,0,1,0,0|1,0,1]=4 13645 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,1,0,1,0,0|1,0,1]=4 13646 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,1,0,1,0,0|1,0,1]=4 13647 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,1,0,1,0,0|1,0,1]=4 13648 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,1,0,1,0,0|1,0,1]=4 13649 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [0,1,0,1,0,0|2,0,0]=4 13650 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [0,1,0,1,0,0|2,0,0]=4 13651 B11R1.102 CC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000685027 [0,1,0,1,0,0|2,0,0]=4 13652 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,1,0,1,0,0|1,0,0]=3 13653 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,1,0,1,0,0|2,0,0]=4 13654 B11R1.102 CC(O)CCOCC1CC1C 34a_100000744939_100012276601 [0,1,0,1,0,0|1,0,1]=4 13655 B11R1.102 CC(O)CCOCC1CC1C 7a_100000744939_100012276601 [0,1,0,1,0,0|1,0,1]=4 13656 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [0,1,0,1,0,0|1,0,0]=3 13657 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [0,1,0,1,0,0|1,0,0]=3 13658 B11R1.102 NC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100102525003 [0,1,0,1,0,0|2,0,0]=4 13659 B11R1.110 CCCN1CCCCC(C1)O 2230a_100025706797_100000210303 [0,1,0,1,0,0|1,0,1]=4 13660 B11R1.110 CCCN1CCCCC(C1)O 269982a_100025706797_100000210303 [0,1,0,1,0,0|1,0,1]=4 13661 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,1,0,1,0,0|2,0,0]=4 13662 B11R1.113 COCC1CCN1CC(=O)N 2230a_100015195929_100000747473 [0,1,0,1,0,0|2,0,0]=4 13663 B11R1.113 COCC1CCN1CC(=O)N 269982a_100015195929_100000187820 [0,1,0,1,0,0|2,0,0]=4 13664 B11R1.113 COCC1CCN1CC(=O)N 34a_100015195929_100000187820 [0,1,0,1,0,0|2,0,0]=4 13665 B11R1.113 COCC1CCN1CC(=O)[O-] 269982a_100015195929_100020667443 [0,1,0,1,0,0|1,0,1]=4 13666 B11R1.113 COCC1CCN1CC(=O)[O-] 34a_100015195929_100020667443 [0,1,0,1,0,0|1,0,1]=4 13667 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|1,0,1]=4 13668 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,1,0,0|1,0,0]=3 13669 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,1,0,0|0,0,0]=2 13670 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,1,0,0|1,0,0]=3 13671 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,1,0,0|0,0,0]=2 13672 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,1,0,1,0,0|1,0,0]=3 13673 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,1,0,1,0,0|1,0,0]=3 13674 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [0,1,0,1,0,0|2,0,0]=4 13675 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [0,1,0,1,0,0|2,0,0]=4 13676 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [0,1,0,1,0,0|2,0,0]=4 13677 B11R1.161 CC(O)CCCN1CCC1C 269982a_100000755817_200000718107 [0,1,0,1,0,0|1,0,1]=4 13678 B11R1.161 CC(O)CCCN1CCC1C 34a_100000755817_200000718107 [0,1,0,1,0,0|1,0,1]=4 13679 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [0,1,0,1,0,0|1,0,0]=3 13680 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [0,1,0,1,0,0|1,0,0]=3 13681 B11R1.161 CC1CCN1CCNC(=O)N 269982a_100000755817_200000034859 [0,1,0,1,0,0|2,0,0]=4 13682 B11R1.161 CC1CCN1CCOC(=O)N 269982a_100000755817_200011214921 [0,1,0,1,0,0|2,0,0]=4 13683 B11R1.161 CC1CCN1CCOC(=O)N 34a_100000755817_200011214921 [0,1,0,1,0,0|2,0,0]=4 13684 B11R1.174 C=C(Br)CCOCC1CCC1 34a_100009813270_100000763275 [0,1,0,1,0,0|2,0,0]=4 13685 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [0,1,0,1,0,0|2,0,0]=4 13686 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [0,1,0,1,0,0|2,0,0]=4 13687 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [0,1,0,1,0,0|2,0,0]=4 13688 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [0,1,0,1,0,0|2,0,0]=4 13689 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [0,1,0,1,0,0|2,0,0]=4 13690 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [0,1,0,1,0,0|2,0,0]=4 13691 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,1,0,1,0,0|1,0,0]=3 13692 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,1,0,1,0,0|1,0,0]=3 13693 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,1,0,1,0,0|1,0,0]=3 13694 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,1,0,1,0,0|1,0,0]=3 13695 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [0,1,0,1,0,0|2,0,0]=4 13696 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [0,1,0,1,0,0|2,0,0]=4 13697 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [0,1,0,1,0,0|2,0,0]=4 13698 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,1,0,1,0,0|1,0,0]=3 13699 B11R1.174 CC(=O)CCCSC1COC1 62a_100011215641_100009818527 [0,1,0,1,0,0|2,0,0]=4 13700 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,1,0,1,0,0|1,0,0]=3 13701 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,1,0,1,0,0|1,0,0]=3 13702 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [0,1,0,1,0,0|2,0,0]=4 13703 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [0,1,0,1,0,0|2,0,0]=4 13704 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [0,1,0,1,0,0|2,0,0]=4 13705 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [0,1,0,1,0,0|2,0,0]=4 13706 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,1,0,1,0,0|1,0,0]=3 13707 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,1,0,1,0,0|1,0,0]=3 13708 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [0,1,0,1,0,0|2,0,0]=4 13709 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [0,1,0,1,0,0|2,0,0]=4 13710 B11R1.174 CC(=O)CCSCC1COC1 62a_100000053229_100010264016 [0,1,0,1,0,0|2,0,0]=4 13711 B11R1.174 CC(=O)CCSCC1COC1 62a_100010264016_100000053229 [0,1,0,1,0,0|2,0,0]=4 13712 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [0,1,0,1,0,0|2,0,0]=4 13713 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [0,1,0,1,0,0|2,0,0]=4 13714 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [0,1,0,1,0,0|2,0,0]=4 13715 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [0,1,0,1,0,0|2,0,0]=4 13716 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [0,1,0,1,0,0|2,0,0]=4 13717 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,1,0,1,0,0|2,0,0]=4 13718 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [0,1,0,1,0,0|2,0,0]=4 13719 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [0,1,0,1,0,0|2,0,0]=4 13720 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,1,0,1,0,0|2,0,0]=4 13721 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [0,1,0,1,0,0|2,0,0]=4 13722 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [0,1,0,1,0,0|2,0,0]=4 13723 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [0,1,0,1,0,0|2,0,0]=4 13724 B11R1.174 CC(O)CCCNC1CCC1 2230a_100000749019_200000718107 [0,1,0,1,0,0|1,0,1]=4 13725 B11R1.174 CC(O)CCCNC1CCC1 34a_100000749019_200000718107 [0,1,0,1,0,0|1,0,1]=4 13726 B11R1.174 CC(O)CCCOC1CCC1 34a_100000748187_200000718107 [0,1,0,1,0,0|1,0,1]=4 13727 B11R1.174 CC(O)CCCSC1CCC1 62a_200000718107_100000749161 [0,1,0,1,0,0|1,0,1]=4 13728 B11R1.174 CC(O)CCNCC1CCC1 2230a_100000738700_100012276601 [0,1,0,1,0,0|1,0,1]=4 13729 B11R1.174 CC(O)CCNCC1CCC1 2230a_200000755665_100000763275 [0,1,0,1,0,0|1,0,1]=4 13730 B11R1.174 CC(O)CCNCC1CCC1 269862a_200000755665_100000753134 [0,1,0,1,0,0|1,0,1]=4 13731 B11R1.174 CC(O)CCNCC1CCC1 34a_100000738700_100012276601 [0,1,0,1,0,0|1,0,1]=4 13732 B11R1.174 CC(O)CCOCC1CCC1 34a_100000760304_100012276601 [0,1,0,1,0,0|1,0,1]=4 13733 B11R1.174 CC(O)CCSCC1CCC1 62a_100000763275_100012276601 [0,1,0,1,0,0|1,0,1]=4 13734 B11R1.174 CC(O)CCSCC1CCC1 62a_100012276601_100000763275 [0,1,0,1,0,0|1,0,1]=4 13735 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [0,1,0,1,0,0|2,0,0]=4 13736 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [0,1,0,1,0,0|1,0,0]=3 13737 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [0,1,0,1,0,0|1,0,0]=3 13738 B11R1.174 NC(=O)CCCNC1COC1 34a_100000739312_100009818527 [0,1,0,1,0,0|2,0,0]=4 13739 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [0,1,0,1,0,0|1,0,0]=3 13740 B11R1.174 NC(=O)CCCOC1CSC1 7a_100000072292_100102525003 [0,1,0,1,0,0|2,0,0]=4 13741 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [0,1,0,1,0,0|1,0,0]=3 13742 B11R1.174 NC(=O)CCCSC1COC1 62a_100102525003_100009818527 [0,1,0,1,0,0|2,0,0]=4 13743 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [0,1,0,1,0,0|1,0,0]=3 13744 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [0,1,0,1,0,0|1,0,0]=3 13745 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [0,1,0,1,0,0|1,0,0]=3 13746 B11R1.174 NC(=O)CCNCC1COC1 2230a_100015281925_100000744528 [0,1,0,1,0,0|2,0,0]=4 13747 B11R1.174 NC(=O)CCNCC1COC1 34a_100015281925_100000731001 [0,1,0,1,0,0|2,0,0]=4 13748 B11R1.174 NC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000744528 [0,1,0,1,0,0|2,0,0]=4 13749 B11R1.174 NC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000731001 [0,1,0,1,0,0|2,0,0]=4 13750 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [0,1,0,1,0,0|1,0,0]=3 13751 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [0,1,0,1,0,0|1,0,0]=3 13752 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [0,1,0,1,0,0|1,0,0]=3 13753 B11R1.174 NC(=O)CCOCC1CCO1 34a_100000039022_100000731001 [0,1,0,1,0,0|2,0,0]=4 13754 B11R1.174 NC(=O)CCOCC1CCO1 34a_100000757172_100000103362 [0,1,0,1,0,0|2,0,0]=4 13755 B11R1.174 NC(=O)CCOCC1CCO1 7a_100000757172_100000103362 [0,1,0,1,0,0|2,0,0]=4 13756 B11R1.174 NC(=O)CCOCC1CNC1 34a_100016987283_100000731001 [0,1,0,1,0,0|2,0,0]=4 13757 B11R1.174 NC(=O)CCOCC1COC1 34a_100000060846_100000731001 [0,1,0,1,0,0|2,0,0]=4 13758 B11R1.174 NC(=O)CCOCC1COC1 34a_100000757172_100010264016 [0,1,0,1,0,0|2,0,0]=4 13759 B11R1.174 NC(=O)CCOCC1COC1 7a_100000757172_100010264016 [0,1,0,1,0,0|2,0,0]=4 13760 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [0,1,0,1,0,0|1,0,0]=3 13761 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [0,1,0,1,0,0|1,0,0]=3 13762 B11R1.174 NC(=O)CCSCC1CCO1 62a_100000103362_100000744528 [0,1,0,1,0,0|2,0,0]=4 13763 B11R1.174 NC(=O)CCSCC1CCO1 62a_100000744528_100000103362 [0,1,0,1,0,0|2,0,0]=4 13764 B11R1.174 NC(=O)CCSCC1COC1 62a_100000744528_100010264016 [0,1,0,1,0,0|2,0,0]=4 13765 B11R1.174 NC(=O)CCSCC1COC1 62a_100010264016_100000744528 [0,1,0,1,0,0|2,0,0]=4 13766 B11R1.174 NC(=O)COCCC1COC1 34a_100009855314_100000187820 [0,1,0,1,0,0|2,0,0]=4 13767 B11R1.174 NC(=O)COCCN1CCC1 269982a_100000754969_100000076697 [0,1,0,1,0,0|2,0,0]=4 13768 B11R1.174 NC(=O)NCCNC1CCC1 2230a_100000749019_200000034859 [0,1,0,1,0,0|2,0,0]=4 13769 B11R1.174 NC(=O)NCCNC1CCC1 34a_100020590234_100000749161 [0,1,0,1,0,0|2,0,0]=4 13770 B11R1.174 NC(=O)NCCOC1CCC1 34a_100000181757_100000749161 [0,1,0,1,0,0|2,0,0]=4 13771 B11R1.174 NC(=O)NCCSC1CCC1 62a_200000034859_100000749161 [0,1,0,1,0,0|2,0,0]=4 13772 B11R1.174 NC(=O)OCCNC1CCC1 34a_100000749019_200011214921 [0,1,0,1,0,0|2,0,0]=4 13773 B11R1.174 NC(=O)OCCOC1CCC1 34a_100000748187_200011214921 [0,1,0,1,0,0|2,0,0]=4 13774 B11R1.174 NC(=O)OCCSC1CCC1 62a_200011214921_100000749161 [0,1,0,1,0,0|2,0,0]=4 13775 B11R1.174 O=C(O)CONCC1CCC1 269956a_100000106656_100000763275 [0,1,0,1,0,0|1,0,0]=3 13776 B11R1.174 O=C(O)CONCC1CCO1 269956a_100000106656_100000103362 [0,1,0,1,0,0|2,0,0]=4 13777 B11R1.174 O=C(O)CONCC1COC1 269956a_100000106656_100010264016 [0,1,0,1,0,0|2,0,0]=4 13778 B11R1.174 O=C([O-])COCCC1COC1 34a_100009855314_100020667443 [0,1,0,1,0,0|1,0,1]=4 13779 B11R1.174 O=[N+]([O-])CCCOC1CCC1 34a_200000037920_100000749161 [0,1,0,1,0,0|1,0,1]=4 13780 B11R1.174 OB(O)CCCCN1CCC1 269982a_100000754969_200009817182 [0,1,0,1,0,0|1,0,1]=4 13781 B11R1.176 C=C(Br)CCOCCC1CC1 34a_100009813270_100000694398 [0,1,0,1,0,0|2,0,0]=4 13782 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [0,1,0,1,0,0|2,0,0]=4 13783 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [0,1,0,1,0,0|2,0,0]=4 13784 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [0,1,0,1,0,0|2,0,0]=4 13785 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [0,1,0,1,0,0|2,0,0]=4 13786 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [0,1,0,1,0,0|2,0,0]=4 13787 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [0,1,0,1,0,0|2,0,0]=4 13788 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,1,0,1,0,0|1,0,0]=3 13789 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,1,0,1,0,0|1,0,0]=3 13790 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,1,0,1,0,0|1,0,0]=3 13791 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,1,0,1,0,0|1,0,0]=3 13792 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,1,0,1,0,0|1,0,0]=3 13793 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,1,0,1,0,0|1,0,0]=3 13794 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [0,1,0,1,0,0|2,0,0]=4 13795 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [0,1,0,1,0,0|2,0,0]=4 13796 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [0,1,0,1,0,0|2,0,0]=4 13797 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [0,1,0,1,0,0|2,0,0]=4 13798 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [0,1,0,1,0,0|2,0,0]=4 13799 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,1,0,1,0,0|1,0,0]=3 13800 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,1,0,1,0,0|1,0,0]=3 13801 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [0,1,0,1,0,0|2,0,0]=4 13802 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [0,1,0,1,0,0|2,0,0]=4 13803 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [0,1,0,1,0,0|2,0,0]=4 13804 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [0,1,0,1,0,0|2,0,0]=4 13805 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [0,1,0,1,0,0|2,0,0]=4 13806 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [0,1,0,1,0,0|2,0,0]=4 13807 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,1,0,1,0,0|1,0,0]=3 13808 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,1,0,1,0,0|1,0,0]=3 13809 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,1,0,1,0,0|1,0,0]=3 13810 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [0,1,0,1,0,0|2,0,0]=4 13811 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [0,1,0,1,0,0|2,0,0]=4 13812 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,1,0,1,0,0|1,0,0]=3 13813 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,1,0,1,0,0|1,0,0]=3 13814 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [0,1,0,1,0,0|2,0,0]=4 13815 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [0,1,0,1,0,0|2,0,0]=4 13816 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [0,1,0,1,0,0|2,0,0]=4 13817 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [0,1,0,1,0,0|2,0,0]=4 13818 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [0,1,0,1,0,0|2,0,0]=4 13819 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [0,1,0,1,0,0|2,0,0]=4 13820 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [0,1,0,1,0,0|2,0,0]=4 13821 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [0,1,0,1,0,0|2,0,0]=4 13822 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [0,1,0,1,0,0|2,0,0]=4 13823 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [0,1,0,1,0,0|2,0,0]=4 13824 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [0,1,0,1,0,0|2,0,0]=4 13825 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [0,1,0,1,0,0|2,0,0]=4 13826 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [0,1,0,1,0,0|2,0,0]=4 13827 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [0,1,0,1,0,0|2,0,0]=4 13828 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,1,0,1,0,0|2,0,0]=4 13829 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [0,1,0,1,0,0|2,0,0]=4 13830 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [0,1,0,1,0,0|2,0,0]=4 13831 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [0,1,0,1,0,0|2,0,0]=4 13832 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,1,0,1,0,0|2,0,0]=4 13833 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [0,1,0,1,0,0|2,0,0]=4 13834 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [0,1,0,1,0,0|2,0,0]=4 13835 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [0,1,0,1,0,0|2,0,0]=4 13836 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [0,1,0,1,0,0|2,0,0]=4 13837 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [0,1,0,1,0,0|2,0,0]=4 13838 B11R1.176 CC(O)CCCNCC1CC1 2230a_100000735609_200000718107 [0,1,0,1,0,0|1,0,1]=4 13839 B11R1.176 CC(O)CCCNCC1CC1 34a_100000735609_200000718107 [0,1,0,1,0,0|1,0,1]=4 13840 B11R1.176 CC(O)CCCOCC1CC1 34a_100000211283_200000718107 [0,1,0,1,0,0|1,0,1]=4 13841 B11R1.176 CC(O)CCCSCC1CC1 62a_100000756562_200000718107 [0,1,0,1,0,0|1,0,1]=4 13842 B11R1.176 CC(O)CCCSCC1CC1 62a_200000718107_100000742324 [0,1,0,1,0,0|1,0,1]=4 13843 B11R1.176 CC(O)CCNCCC1CC1 2230a_200000755665_100000694398 [0,1,0,1,0,0|1,0,1]=4 13844 B11R1.176 CC(O)CCNCCC1CC1 34a_100000764129_100012276601 [0,1,0,1,0,0|1,0,1]=4 13845 B11R1.176 CC(O)CCOCCC1CC1 34a_100000754188_100012276601 [0,1,0,1,0,0|1,0,1]=4 13846 B11R1.176 CC(O)CCOCCC1CC1 7a_100000754188_100012276601 [0,1,0,1,0,0|1,0,1]=4 13847 B11R1.176 CC(O)CCSCCC1CC1 62a_100000764125_100012276601 [0,1,0,1,0,0|1,0,1]=4 13848 B11R1.176 CC(O)CCSCCC1CC1 62a_100012276601_100000764125 [0,1,0,1,0,0|1,0,1]=4 13849 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [0,1,0,1,0,0|2,0,0]=4 13850 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [0,1,0,1,0,0|1,0,0]=3 13851 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [0,1,0,1,0,0|1,0,0]=3 13852 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [0,1,0,1,0,0|1,0,0]=3 13853 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [0,1,0,1,0,0|1,0,0]=3 13854 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [0,1,0,1,0,0|1,0,0]=3 13855 B11R1.176 NC(=O)CCCNCC1CO1 34a_100000739312_102125554688 [0,1,0,1,0,0|2,0,0]=4 13856 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [0,1,0,1,0,0|1,0,0]=3 13857 B11R1.176 NC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100102525003 [0,1,0,1,0,0|2,0,0]=4 13858 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [0,1,0,1,0,0|1,0,0]=3 13859 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [0,1,0,1,0,0|1,0,0]=3 13860 B11R1.176 NC(=O)CCCSCC1CO1 62a_100102525003_102125554688 [0,1,0,1,0,0|2,0,0]=4 13861 B11R1.176 NC(=O)CCCSCC1CO1 62a_102125554688_100102525003 [0,1,0,1,0,0|2,0,0]=4 13862 B11R1.176 NC(=O)CCCSCC1CS1 62a_100000031435_100102525003 [0,1,0,1,0,0|2,0,0]=4 13863 B11R1.176 NC(=O)CCCSCC1CS1 62a_100102525003_100000031435 [0,1,0,1,0,0|2,0,0]=4 13864 B11R1.176 NC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100102525003 [0,1,0,1,0,0|2,0,0]=4 13865 B11R1.176 NC(=O)CCCSC[C@@H]1CO1 62a_100102525003_100000745022 [0,1,0,1,0,0|2,0,0]=4 13866 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [0,1,0,1,0,0|1,0,0]=3 13867 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [0,1,0,1,0,0|1,0,0]=3 13868 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [0,1,0,1,0,0|1,0,0]=3 13869 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [0,1,0,1,0,0|1,0,0]=3 13870 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [0,1,0,1,0,0|1,0,0]=3 13871 B11R1.176 NC(=O)CCOCCC1CO1 34a_100000757172_100000732470 [0,1,0,1,0,0|2,0,0]=4 13872 B11R1.176 NC(=O)CCOCCC1CO1 7a_100000757172_100000732470 [0,1,0,1,0,0|2,0,0]=4 13873 B11R1.176 NC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000731001 [0,1,0,1,0,0|2,0,0]=4 13874 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [0,1,0,1,0,0|1,0,0]=3 13875 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [0,1,0,1,0,0|1,0,0]=3 13876 B11R1.176 NC(=O)CCSCCC1CO1 62a_100000732470_100000744528 [0,1,0,1,0,0|2,0,0]=4 13877 B11R1.176 NC(=O)CCSCCC1CO1 62a_100000744528_100000732470 [0,1,0,1,0,0|2,0,0]=4 13878 B11R1.176 NC(=O)CNCCCC1CO1 2230a_100000711301_100000733510 [0,1,0,1,0,0|2,0,0]=4 13879 B11R1.176 NC(=O)COCCNC1CC1 34a_100000212008_100000076697 [0,1,0,1,0,0|2,0,0]=4 13880 B11R1.176 NC(=O)COCCNC1CC1 34a_100000738766_100000187820 [0,1,0,1,0,0|2,0,0]=4 13881 B11R1.176 NC(=O)COCCSC1CC1 62a_100000076697_100000211595 [0,1,0,1,0,0|2,0,0]=4 13882 B11R1.176 NC(=O)CSCCCC1CO1 62a_100000733510_100000747473 [0,1,0,1,0,0|2,0,0]=4 13883 B11R1.176 NC(=O)CSCCCC1CO1 62a_100000747473_100000733510 [0,1,0,1,0,0|2,0,0]=4 13884 B11R1.176 NC(=O)NCCNCC1CC1 2230a_100000735609_200000034859 [0,1,0,1,0,0|2,0,0]=4 13885 B11R1.176 NC(=O)NCCNCC1CC1 269862a_100020590234_100000741477 [0,1,0,1,0,0|2,0,0]=4 13886 B11R1.176 NC(=O)NCCNCC1CC1 34a_100020590234_100000742324 [0,1,0,1,0,0|2,0,0]=4 13887 B11R1.176 NC(=O)NCCOCC1CC1 34a_100000181757_100000742324 [0,1,0,1,0,0|2,0,0]=4 13888 B11R1.176 NC(=O)NCCSCC1CC1 62a_100000756562_200000034859 [0,1,0,1,0,0|2,0,0]=4 13889 B11R1.176 NC(=O)NCCSCC1CC1 62a_200000034859_100000742324 [0,1,0,1,0,0|2,0,0]=4 13890 B11R1.176 NC(=O)OCCNCC1CC1 34a_100000735609_200011214921 [0,1,0,1,0,0|2,0,0]=4 13891 B11R1.176 NC(=O)OCCOCC1CC1 34a_100000211283_200011214921 [0,1,0,1,0,0|2,0,0]=4 13892 B11R1.176 NC(=O)OCCOCC1CC1 7a_100000766696_100000742324 [0,1,0,1,0,0|2,0,0]=4 13893 B11R1.176 NC(=O)OCCSCC1CC1 62a_100000756562_200011214921 [0,1,0,1,0,0|2,0,0]=4 13894 B11R1.176 NC(=O)OCCSCC1CC1 62a_200011214921_100000742324 [0,1,0,1,0,0|2,0,0]=4 13895 B11R1.176 O=C(O)CNCC#CC1CC1 269956a_100016091260_100009895102 [0,1,0,1,0,0|0,0,2]=4 13896 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [0,1,0,1,0,0|1,0,0]=3 13897 B11R1.176 O=C(O)COCCNC1CC1 269956a_100000700818_100000211595 [0,1,0,1,0,0|1,0,0]=3 13898 B11R1.176 O=C(O)CONCCC1CC1 269956a_100000106656_100000694398 [0,1,0,1,0,0|1,0,0]=3 13899 B11R1.176 O=C(O)CONCCC1CO1 269956a_100000106656_100000732470 [0,1,0,1,0,0|2,0,0]=4 13900 B11R1.176 O=C([O-])COCCNC1CC1 34a_100000738766_100020667443 [0,1,0,1,0,0|1,0,1]=4 13901 B11R1.176 O=C([O-])CSCCCC1CO1 62a_100000733510_100020667443 [0,1,0,1,0,0|1,0,1]=4 13902 B11R1.176 O=C([O-])CSCCCC1CO1 62a_100020667443_100000733510 [0,1,0,1,0,0|1,0,1]=4 13903 B11R1.176 O=[N+]([O-])CCCCOC1CC1 34a_200015379883_100000211595 [0,1,0,1,0,0|1,0,1]=4 13904 B11R1.176 O=[N+]([O-])CCCOCC1CC1 34a_200000037920_100000742324 [0,1,0,1,0,0|1,0,1]=4 13905 B11R1.176 OB(O)CCCCNC1CC1 34a_100000212008_200009817182 [0,1,0,1,0,0|1,0,1]=4 13906 B11R1.176 OB(O)CCCCSC1CC1 62a_200009817182_100000211595 [0,1,0,1,0,0|1,0,1]=4 13907 B11R1.193 C#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000184674 [0,1,0,1,0,0|0,0,2]=4 13908 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [0,1,0,1,0,0|0,0,2]=4 13909 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [0,1,0,1,0,0|2,0,0]=4 13910 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [0,1,0,1,0,0|2,0,0]=4 13911 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [0,1,0,1,0,0|0,0,2]=4 13912 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,1,0,1,0,0|1,0,0]=3 13913 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,1,0,1,0,0|0,0,0]=2 13914 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [0,1,0,1,0,0|1,0,0]=3 13915 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [0,1,0,1,0,0|1,0,0]=3 13916 B11R1.193 COCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000766300 [0,1,0,1,0,0|2,0,0]=4 13917 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [0,1,0,1,0,0|1,0,0]=3 13918 B11R1.193 COCN1CCSC1C(=O)O 269956a_100000035718_100000766300 [0,1,0,1,0,0|2,0,0]=4 13919 B11R1.193 COCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000766300 [0,1,0,1,0,0|2,0,0]=4 13920 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [0,1,0,1,0,0|2,0,0]=4 13921 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [0,1,0,1,0,0|2,0,0]=4 13922 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [0,1,0,1,0,0|2,0,0]=4 13923 B11R1.193 COC[C@@H]1CCCN1C(=O)N 34a_100012022907_200000210301 [0,1,0,1,0,0|2,0,0]=4 13924 B11R1.193 COC[C@@H]1CCCN1C(=O)N 7a_100012022907_200000210301 [0,1,0,1,0,0|2,0,0]=4 13925 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [0,1,0,1,0,0|2,0,0]=4 13926 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [0,1,0,1,0,0|2,0,0]=4 13927 B11R1.193 CSCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218213 [0,1,0,1,0,0|2,0,0]=4 13928 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [0,1,0,1,0,0|1,0,0]=3 13929 B11R1.193 CSCN1CCSC1C(=O)O 269956a_100000035718_100011218213 [0,1,0,1,0,0|2,0,0]=4 13930 B11R1.193 CSCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218213 [0,1,0,1,0,0|2,0,0]=4 13931 B11R1.193 N#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215382 [0,1,0,1,0,0|1,0,1]=4 13932 B11R1.193 NC(=O)[C@@H]1CCCN1CCF 2230a_100000003125_100011217306 [0,1,0,1,0,0|2,0,0]=4 13933 B11R1.193 NC(=O)[C@@H]1CCCN1CCO 2230a_100000003125_100000211926 [0,1,0,1,0,0|2,0,0]=4 13934 B11R1.193 O=C(O)C1SCCN1CCF 269956a_100000035718_100011217306 [0,1,0,1,0,0|2,0,0]=4 13935 B11R1.193 O=C(O)C1SCCN1CCO 269956a_100000035718_100000211926 [0,1,0,1,0,0|2,0,0]=4 13936 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [0,1,0,1,0,0|1,0,0]=3 13937 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [0,1,0,1,0,0|1,0,0]=3 13938 B11R1.193 O=C(O)[C@@H]1CSCN1CCF 269956a_100000743924_100011217306 [0,1,0,1,0,0|2,0,0]=4 13939 B11R1.193 O=C(O)[C@@H]1CSCN1CCO 269956a_100000743924_100000211926 [0,1,0,1,0,0|2,0,0]=4 13940 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [0,1,0,1,0,0|1,0,1]=4 13941 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 34a_100012022907_200025704644 [0,1,0,1,0,0|2,0,0]=4 13942 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 7a_100012022907_200025704644 [0,1,0,1,0,0|2,0,0]=4 13943 B11R1.204 C#CCCN1CCC1C(=O)O 269956a_100000021838_100000688953 [0,1,0,1,0,0|0,0,2]=4 13944 B11R1.204 C/C=C/CN1CCC1C(=O)O 269956a_100000021838_100102629194 [0,1,0,1,0,0|0,0,2]=4 13945 B11R1.204 C=CCCN1CCC1C(=O)O 269956a_100000021838_100000754431 [0,1,0,1,0,0|0,0,2]=4 13946 B11R1.204 CC#CCN1CCC1C(=O)O 269956a_100000021838_100000748600 [0,1,0,1,0,0|0,0,2]=4 13947 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,1,0,1,0,0|0,0,0]=2 13948 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [0,1,0,1,0,0|1,0,0]=3 13949 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [0,1,0,1,0,0|1,0,0]=3 13950 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [0,1,0,1,0,0|1,0,0]=3 13951 B11R1.204 N#CCCN1CCC1C(=O)O 269956a_100000021838_100011215226 [0,1,0,1,0,0|1,0,1]=4 13952 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [0,1,0,1,0,0|1,0,0]=3 13953 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,1,0,1,0,0|1,0,0]=3 13954 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210303 [0,1,0,1,0,0|1,0,1]=4 13955 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210303 [0,1,0,1,0,0|1,0,1]=4 13956 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|1,0,1]=4 13957 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,1,0,1,0,0|1,0,0]=3 13958 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,1,0,1,0,0|1,0,0]=3 13959 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,1,0,1,0,0|1,0,0]=3 13960 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,1,0,1,0,0|1,0,0]=3 13961 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [0,1,0,1,0,0|2,0,0]=4 13962 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [0,1,0,1,0,0|2,0,0]=4 13963 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [0,1,0,1,0,0|2,0,0]=4 13964 B11R1.742 C=C(F)CN1CCCCCC1 2230a_100000185865_100009893438 [0,1,0,1,0,0|2,0,0]=4 13965 B11R1.742 C=C(F)CN1CCCCCC1 269982a_100000185865_100009893438 [0,1,0,1,0,0|2,0,0]=4 13966 B11R1.742 C=C(F)CN1CCCCCC1 34a_100000185865_100009893438 [0,1,0,1,0,0|2,0,0]=4 13967 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,1,0,1,0,0|1,0,1]=4 13968 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,1,0,0|1,0,0]=3 13969 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,1,0,0|1,0,0]=3 13970 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,1,0,1,0,0|1,0,0]=3 13971 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,1,0,1,0,0|1,0,0]=3 13972 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,1,0,1,0,0|1,0,0]=3 13973 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,1,0,1,0,0|1,0,0]=3 13974 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,1,0,1,0,0|1,0,0]=3 13975 B11R1.742 CC(O)CN1CCCCCC1 2230a_100000185865_100011218427 [0,1,0,1,0,0|1,0,1]=4 13976 B11R1.742 CC(O)CN1CCCCCC1 269982a_100000185865_100011218427 [0,1,0,1,0,0|1,0,1]=4 13977 B11R1.742 CC(O)CN1CCCCCC1 34a_100000185865_100011218427 [0,1,0,1,0,0|1,0,1]=4 13978 B11R1.742 C[C@@H](O)CN1CCCCCC1 2230a_100000185865_100009817552 [0,1,0,1,0,0|1,0,1]=4 13979 B11R1.742 C[C@@H](O)CN1CCCCCC1 269982a_100000185865_100009817552 [0,1,0,1,0,0|1,0,1]=4 13980 B11R1.742 C[C@@H](O)CN1CCCCCC1 34a_100000185865_100009817552 [0,1,0,1,0,0|1,0,1]=4 13981 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,1,0,1,0,0|1,0,0]=3 13982 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,1,0,1,0,0|1,0,0]=3 13983 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,1,0,1,0,0|1,0,0]=3 13984 B11R1.742 NC(=O)CN1CCCOCC1 2230a_100000685342_100000747473 [0,1,0,1,0,0|2,0,0]=4 13985 B11R1.742 NC(=O)CN1CCCOCC1 269982a_100000685342_100000187820 [0,1,0,1,0,0|2,0,0]=4 13986 B11R1.742 NC(=O)CN1CCCOCC1 34a_100000685342_100000187820 [0,1,0,1,0,0|2,0,0]=4 13987 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,1,0,1,0,0|0,0,1]=3 13988 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,1,0,1,0,0|0,0,1]=3 13989 B11R1.742 O=C([O-])CN1CCCOCC1 269982a_100000685342_100020667443 [0,1,0,1,0,0|1,0,1]=4 13990 B11R1.742 O=C([O-])CN1CCCOCC1 34a_100000685342_100020667443 [0,1,0,1,0,0|1,0,1]=4 13991 B11R1.742 O=[N+]([O-])CN1CCCCCC1 269982a_100000185865_100000761209 [0,1,0,1,0,0|1,0,1]=4 13992 B11R1.742 O=[N+]([O-])CN1CCCCCC1 34a_100000185865_100000761209 [0,1,0,1,0,0|1,0,1]=4 13993 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,1,0,1,0,0|1,0,1]=4 13994 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,1,0,0|1,0,0]=3 13995 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,1,0,1,0,0|1,0,0]=3 13996 B11R1.43 CCN1CCC(C1)CC(=O)C 1458a_100000070787_100015184589 [0,1,0,1,0,0|2,0,0]=4 13997 B11R1.43 CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210202 [0,1,0,1,0,0|1,0,0]=3 13998 B11R1.43 O=C(O)CC1CCN(C1)CF 269956a_100000719201_100015361967 [0,1,0,1,0,0|2,0,0]=4 13999 B11R1.77 CC(=O)CC(C)N1CCCC1 1458a_100000070787_200015187269 [0,1,0,1,0,0|2,0,0]=4 14000 B11R1.77 CC(=O)CN(C)C1CCCC1 1458a_100073796569_200000210301 [0,1,0,1,0,0|2,0,0]=4 14001 B11R1.77 CC(=O)NC(C)C1CCCC1 11a_100015185923_100015343762 [0,1,0,1,0,0|2,0,0]=4 14002 B11R1.77 CC(=O)NC(C)C1CCCC1 1626a_100015185923_100015343762 [0,1,0,1,0,0|2,0,0]=4 14003 B11R1.77 CC(=O)NC(C)C1CCCC1 240690a_100015185923_100015343762 [0,1,0,1,0,0|2,0,0]=4 14004 B11R1.77 CC(=O)NC(C)C1CCCC1 527a_100015185923_100103153847 [0,1,0,1,0,0|2,0,0]=4 14005 B11R1.77 CN(CC(=O)N)C1CCCC1 2230a_100000207505_100000747473 [0,1,0,1,0,0|2,0,0]=4 14006 B11R1.77 CN(CC(=O)N)C1CCCC1 2230a_100000739694_100000179811 [0,1,0,1,0,0|2,0,0]=4 14007 B11R1.77 CN(CC(=O)N)C1CCCC1 269982a_100000207505_100000187820 [0,1,0,1,0,0|2,0,0]=4 14008 B11R1.77 CN(CC(=O)N)C1CCCC1 270004a_100000739694_100000210133 [0,1,0,1,0,0|2,0,0]=4 14009 B11R1.77 CN(CC(=O)N)C1CCCC1 34a_100000207505_100000187820 [0,1,0,1,0,0|2,0,0]=4 14010 B11R1.77 CN(CC(=O)O)C1CCCC1 269956a_100000746989_100000179811 [0,1,0,1,0,0|1,0,0]=3 14011 B11R1.77 CN(CC(=O)O)C1CCOC1 269956a_100000746989_100000731011 [0,1,0,1,0,0|2,0,0]=4 14012 B11R1.77 CN(CC(=O)[13CH3])C1CCCC1 1458a_100073796569_200025704644 [0,1,0,1,0,0|2,0,0]=4 14013 B11R1.77 CN(CC(=O)[O-])C1CCCC1 269982a_100000207505_100020667443 [0,1,0,1,0,0|1,0,1]=4 14014 B11R1.77 CN(CC(=O)[O-])C1CCCC1 34a_100000207505_100020667443 [0,1,0,1,0,0|1,0,1]=4 14015 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000187820 [0,1,0,1,0,0|1,0,1]=4 14016 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100134613110_100000179811 [0,1,0,1,0,0|1,0,1]=4 14017 B11R1.77 O=C([O-])CC(=O)C1CCCC1 1458a_100000210718_100020667443 [0,1,0,1,0,0|0,0,2]=4 14018 B11R1.156 CC(=O)N1C(CCCC1C)C 11a_100000210447_100015343762 [0,1,0,1,0,0|2,0,0]=4 14019 B11R1.156 CC(=O)N1C(CCCC1C)C 240690a_100000210447_100015343762 [0,1,0,1,0,0|2,0,0]=4 14020 B11R1.257 CCC1CC1C(=O)CC(=O)N 1458a_200011661523_100000187820 [0,1,0,1,0,0|1,0,1]=4 14021 B11R1.257 CCC1CC1C(=O)CC(=O)[O-] 1458a_200011661523_100020667443 [0,1,0,1,0,0|0,0,2]=4 14022 B11R1.484 CN(CC(=O)N)CC1CCC1 2230a_100000739694_100000763275 [0,1,0,1,0,0|2,0,0]=4 14023 B11R1.484 CN(CC(=O)N)CC1CCC1 2230a_200000750244_100000747473 [0,1,0,1,0,0|2,0,0]=4 14024 B11R1.484 CN(CC(=O)N)CC1CCC1 269982a_200000750244_100000187820 [0,1,0,1,0,0|2,0,0]=4 14025 B11R1.484 CN(CC(=O)N)CC1CCC1 34a_200000750244_100000187820 [0,1,0,1,0,0|2,0,0]=4 14026 B11R1.484 CN(CC(=O)O)CC1CCC1 269956a_100000746989_100000763275 [0,1,0,1,0,0|1,0,0]=3 14027 B11R1.484 CN(CC(=O)O)CC1CCO1 269956a_100000746989_100000103362 [0,1,0,1,0,0|2,0,0]=4 14028 B11R1.484 CN(CC(=O)O)CC1COC1 269956a_100000746989_100010264016 [0,1,0,1,0,0|2,0,0]=4 14029 B11R1.484 CN(CC(=O)[O-])CC1CCC1 269982a_200000750244_100020667443 [0,1,0,1,0,0|1,0,1]=4 14030 B11R1.484 CN(CC(=O)[O-])CC1CCC1 34a_200000750244_100020667443 [0,1,0,1,0,0|1,0,1]=4 14031 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000187820 [0,1,0,1,0,0|1,0,1]=4 14032 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100134613110_100000763275 [0,1,0,1,0,0|1,0,1]=4 14033 B11R1.484 O=C([O-])CC(=O)CC1CCC1 1458a_100000763092_100020667443 [0,1,0,1,0,0|0,0,2]=4 14034 B11R1.485 CN(CCC1CC1)CC(=O)N 2230a_100000739694_100000694398 [0,1,0,1,0,0|2,0,0]=4 14035 B11R1.485 CN(CCC1CC1)CC(=O)O 269956a_100000746989_100000694398 [0,1,0,1,0,0|1,0,0]=3 14036 B11R1.485 CN(CCC1CO1)CC(=O)O 269956a_100000746989_100000732470 [0,1,0,1,0,0|2,0,0]=4 14037 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000187820 [0,1,0,1,0,0|1,0,1]=4 14038 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100134613110_100000694398 [0,1,0,1,0,0|1,0,1]=4 14039 B11R1.485 O=C(O)CC(O)CNC1CC1 269956a_100011218706_100000211595 [0,1,0,1,0,0|1,0,0]=3 14040 B11R1.485 O=C([O-])CC(=O)CCC1CC1 1458a_100000756386_100020667443 [0,1,0,1,0,0|0,0,2]=4 14041 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,1,0,1,0,0|1,0,0]=3 14042 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,1,0,1,0,0|2,0,0]=4 14043 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,1,0,1,0,0|2,0,0]=4 14044 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,1,0,1,0,0|2,0,0]=4 14045 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,1,0,1,0,0|2,0,0]=4 14046 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,1,0,1,0,0|1,0,0]=3 14047 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,1,0,1,0,0|1,0,0]=3 14048 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,1,0,1,0,0|1,0,0]=3 14049 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,1,0,1,0,0|2,0,0]=4 14050 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,1,0,1,0,0|2,0,0]=4 14051 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,1,0,1,0,0|2,0,0]=4 14052 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,1,0,1,0,0|2,0,0]=4 14053 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,1,0,1,0,0|2,0,0]=4 14054 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,1,0,1,0,0|2,0,0]=4 14055 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,1,0,1,0,0|2,0,0]=4 14056 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,1,0,1,0,0|1,0,0]=3 14057 B11R1.20 CC1CCN(CC1)CC(=O)N 2230a_100000188429_100000747473 [0,1,0,1,0,0|2,0,0]=4 14058 B11R1.20 CC1CCN(CC1)CC(=O)N 269982a_100000188429_100000187820 [0,1,0,1,0,0|2,0,0]=4 14059 B11R1.20 CC1CCN(CC1)CC(=O)N 34a_100000188429_100000187820 [0,1,0,1,0,0|2,0,0]=4 14060 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,1,0,1,0,0|2,0,0]=4 14061 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 269982a_100000188429_100020667443 [0,1,0,1,0,0|1,0,1]=4 14062 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 34a_100000188429_100020667443 [0,1,0,1,0,0|1,0,1]=4 14063 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,1,0,1,0,0|2,0,0]=4 14064 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,1,0,1,0,0|2,0,0]=4 14065 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,1,0,1,0,0|2,0,0]=4 14066 B11R1.20 NC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747473 [0,1,0,1,0,0|2,0,0]=4 14067 B11R1.20 NC(=O)CN1CCC(CC1)F 269982a_100015193889_100000187820 [0,1,0,1,0,0|2,0,0]=4 14068 B11R1.20 NC(=O)CN1CCC(CC1)F 34a_100015193889_100000187820 [0,1,0,1,0,0|2,0,0]=4 14069 B11R1.20 NC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747473 [0,1,0,1,0,0|2,0,0]=4 14070 B11R1.20 NC(=O)CN1CCC(CC1)O 269982a_100025773856_100000187820 [0,1,0,1,0,0|2,0,0]=4 14071 B11R1.20 O=C([O-])CN1CCC(CC1)F 269982a_100015193889_100020667443 [0,1,0,1,0,0|1,0,1]=4 14072 B11R1.20 O=C([O-])CN1CCC(CC1)F 34a_100015193889_100020667443 [0,1,0,1,0,0|1,0,1]=4 14073 B11R1.20 O=C([O-])CN1CCC(CC1)O 269982a_100025773856_100020667443 [0,1,0,1,0,0|1,0,1]=4 14074 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,1,0,1,0,0|1,0,0]=3 14075 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,1,0,1,0,0|2,0,0]=4 14076 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,1,0,1,0,0|2,0,0]=4 14077 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,1,0,0|1,0,1]=4 14078 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,1,0,1,0,0|1,0,1]=4 14079 B11R1.39 CCC(=O)CC1CNC(=O)O1 1458a_100000210414_100000181169 [0,1,0,1,0,0|1,0,1]=4 14080 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [0,1,0,1,0,0|1,0,1]=4 14081 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,1,0,1,0,0|1,0,1]=4 14082 B11R1.39 CCC(C)OC1CCC(=O)C1 34a_100012614533_100011215416 [0,1,0,1,0,0|2,0,0]=4 14083 B11R1.39 CCC(C)SC1COC(=O)O1 62a_100000758301_100000032252 [0,1,0,1,0,0|2,0,0]=4 14084 B11R1.39 CCN(C)CC1CNC(=O)O1 2230a_100000225621_100000181169 [0,1,0,1,0,0|2,0,0]=4 14085 B11R1.39 CCN(C)CC1CNC(=O)O1 269982a_100000225621_100000181169 [0,1,0,1,0,0|2,0,0]=4 14086 B11R1.39 CCN(C)CC1COC(=O)O1 269982a_100000225621_100000073702 [0,1,0,1,0,0|2,0,0]=4 14087 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 2230a_100000225621_100015189358 [0,1,0,1,0,0|2,0,0]=4 14088 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 269982a_100000225621_100015189358 [0,1,0,1,0,0|2,0,0]=4 14089 B11R1.75 CC(=O)CCN1CCC(C1)O 269982a_100011215560_100000053229 [0,1,0,1,0,0|2,0,0]=4 14090 B11R1.75 CC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000053229 [0,1,0,1,0,0|2,0,0]=4 14091 B11R1.75 CC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000053229 [0,1,0,1,0,0|2,0,0]=4 14092 B11R1.75 CC(Br)COC1COC(=O)O1 34a_100012180447_100000032252 [0,1,0,1,0,0|2,0,0]=4 14093 B11R1.75 CC(C)CNC1COC(=O)O1 34a_100000210953_100000032252 [0,1,0,1,0,0|2,0,0]=4 14094 B11R1.75 CC(C)COC1CCC(=O)C1 34a_100012614533_100000210624 [0,1,0,1,0,0|2,0,0]=4 14095 B11R1.75 CC(C)COC1COC(=O)O1 34a_100000210257_100000032252 [0,1,0,1,0,0|2,0,0]=4 14096 B11R1.75 CC(C)CSC1COC(=O)O1 62a_100000210624_100000032252 [0,1,0,1,0,0|2,0,0]=4 14097 B11R1.75 CC(C)NCC1CNC(=O)O1 2230a_100138425928_100000181169 [0,1,0,1,0,0|2,0,0]=4 14098 B11R1.75 CC(C)NCC1CNC(=O)O1 34a_100138425928_100000181169 [0,1,0,1,0,0|2,0,0]=4 14099 B11R1.75 CC(C)NCC1COC(=O)O1 34a_100138425928_100000073702 [0,1,0,1,0,0|2,0,0]=4 14100 B11R1.75 CC(C)NC[C@@H]1CCC(=O)N1 2230a_100138425928_100015189358 [0,1,0,1,0,0|2,0,0]=4 14101 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000210206 [0,1,0,1,0,0|2,0,0]=4 14102 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000210206 [0,1,0,1,0,0|2,0,0]=4 14103 B11R1.75 CC(C)OCC1CCC(=O)N1 34a_100000737831_100000210206 [0,1,0,1,0,0|2,0,0]=4 14104 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100000212225_100000181169 [0,1,0,1,0,0|2,0,0]=4 14105 B11R1.75 CC(C)OCC1CNC(=O)O1 34a_100011315639_100000210206 [0,1,0,1,0,0|2,0,0]=4 14106 B11R1.75 CC(C)OCC1COC(=O)O1 34a_100000212225_100000073702 [0,1,0,1,0,0|2,0,0]=4 14107 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000181169_100000210206 [0,1,0,1,0,0|2,0,0]=4 14108 B11R1.75 CC(C)SCC1CNC(=O)O1 62a_100000210206_100000181169 [0,1,0,1,0,0|2,0,0]=4 14109 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000073702_100000210206 [0,1,0,1,0,0|2,0,0]=4 14110 B11R1.75 CC(C)SCC1COC(=O)O1 62a_100000210206_100000073702 [0,1,0,1,0,0|2,0,0]=4 14111 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100000210206_100015189358 [0,1,0,1,0,0|2,0,0]=4 14112 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000210206 [0,1,0,1,0,0|2,0,0]=4 14113 B11R1.75 CC(F)COC1COC(=O)O1 34a_100015925927_100000032252 [0,1,0,1,0,0|2,0,0]=4 14114 B11R1.75 CC(O)CNC1COC(=O)O1 34a_100000210904_100000032252 [0,1,0,1,0,0|2,0,0]=4 14115 B11R1.75 CC(O)COC1CCC(=O)C1 34a_100012614533_100011218427 [0,1,0,1,0,0|2,0,0]=4 14116 B11R1.75 CC(O)CSC1COC(=O)O1 62a_100011218427_100000032252 [0,1,0,1,0,0|2,0,0]=4 14117 B11R1.75 CC1CCC(C1)OCC(=O)N 34a_100000698185_100000187820 [0,1,0,1,0,0|2,0,0]=4 14118 B11R1.75 CC1CCC(C1)OCC(=O)[O-] 34a_100000698185_100020667443 [0,1,0,1,0,0|1,0,1]=4 14119 B11R1.75 CN1CCC(C1)NCC(=O)O 269956a_100016091260_200012183744 [0,1,0,1,0,0|2,0,0]=4 14120 B11R1.75 C[C@@H](Cl)COC1COC(=O)O1 34a_100016084084_100000032252 [0,1,0,1,0,0|2,0,0]=4 14121 B11R1.75 C[C@@H](N)COC1COC(=O)O1 34a_100000737577_100000032252 [0,1,0,1,0,0|2,0,0]=4 14122 B11R1.75 C[C@@H](O)COC1CCC(=O)C1 34a_100012614533_100009817552 [0,1,0,1,0,0|2,0,0]=4 14123 B11R1.75 C[C@@H](O)CSC1COC(=O)O1 62a_100009817552_100000032252 [0,1,0,1,0,0|2,0,0]=4 14124 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 2230a_100016987628_100000744528 [0,1,0,1,0,0|2,0,0]=4 14125 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 269982a_100016987628_100000744528 [0,1,0,1,0,0|2,0,0]=4 14126 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 34a_100016987628_100000731001 [0,1,0,1,0,0|2,0,0]=4 14127 B11R1.75 NC(=O)CCN1CCC(C1)O 2230a_100011215560_100000744528 [0,1,0,1,0,0|2,0,0]=4 14128 B11R1.75 NC(=O)CCN1CCC(C1)O 269982a_100011215560_100000744528 [0,1,0,1,0,0|2,0,0]=4 14129 B11R1.75 NC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100000744528 [0,1,0,1,0,0|2,0,0]=4 14130 B11R1.75 NC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000744528 [0,1,0,1,0,0|2,0,0]=4 14131 B11R1.75 NC(=O)CCN1CC[C@@H](C1)F 34a_100015203821_100000731001 [0,1,0,1,0,0|2,0,0]=4 14132 B11R1.75 NC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000747473 [0,1,0,1,0,0|2,0,0]=4 14133 B11R1.147 CC(=O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000053229 [0,1,0,1,0,0|2,0,0]=4 14134 B11R1.147 C[C@H]1[C@H](CN1CCC(=O)N)O 2230a_206633788156_100000744528 [0,1,0,1,0,0|2,0,0]=4 14135 B11R1.147 C[C@H]1[C@H](CN1CCC(=O)N)O 269982a_206633788156_100000744528 [0,1,0,1,0,0|2,0,0]=4 14136 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|1,0,0]=3 14137 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|1,0,0]=3 14138 B11R1.224 CCC(C)CSC1CC(=O)C1 62a_100009894365_100000748023 [0,1,0,1,0,0|2,0,0]=4 14139 B11R1.224 CCC(C)NCC1CC(=O)C1 2230a_100000209981_100009874392 [0,1,0,1,0,0|2,0,0]=4 14140 B11R1.224 CCC(C)OCC1CC(=O)C1 34a_100000101936_100011215416 [0,1,0,1,0,0|2,0,0]=4 14141 B11R1.224 CCC(C)OCC1CC(=O)C1 7a_100000210228_100009874392 [0,1,0,1,0,0|2,0,0]=4 14142 B11R1.224 CCC(C)SCC1CC(=O)C1 62a_100000758301_100009874392 [0,1,0,1,0,0|2,0,0]=4 14143 B11R1.224 CCC(C)SCC1CC(=O)C1 62a_100009874392_100000758301 [0,1,0,1,0,0|2,0,0]=4 14144 B11R1.224 CCC(O)CSC1CC(=O)C1 62a_100009894365_100011218378 [0,1,0,1,0,0|2,0,0]=4 14145 B11R1.224 CC[C@H](C)CSC1CC(=O)C1 62a_100009894365_100009816398 [0,1,0,1,0,0|2,0,0]=4 14146 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,1,0,1,0,0|2,0,0]=4 14147 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [0,1,0,1,0,0|2,0,0]=4 14148 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [0,1,0,1,0,0|2,0,0]=4 14149 B11R1.235 COC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204255 [0,1,0,1,0,0|2,0,0]=4 14150 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204255 [0,1,0,1,0,0|2,0,0]=4 14151 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000742370 [0,1,0,1,0,0|2,0,0]=4 14152 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,1,0,1,0,0|1,0,0]=3 14153 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,1,0,1,0,0|1,0,0]=3 14154 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,1,0,1,0,0|2,0,0]=4 14155 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,1,0,1,0,0|2,0,0]=4 14156 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,1,0,1,0,0|2,0,0]=4 14157 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,1,0,1,0,0|2,0,0]=4 14158 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000212008_100000741757 [0,1,0,1,0,0|2,0,0]=4 14159 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000740002_100000211595 [0,1,0,1,0,0|2,0,0]=4 14160 B11R1.237 CNC(=O)CCCSC1CC1 62a_100000741757_100000211595 [0,1,0,1,0,0|2,0,0]=4 14161 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000735609_100000737683 [0,1,0,1,0,0|2,0,0]=4 14162 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000738227_100000742324 [0,1,0,1,0,0|2,0,0]=4 14163 B11R1.237 CNC(=O)CCNCC1CC1 269862a_100000738227_100000741477 [0,1,0,1,0,0|2,0,0]=4 14164 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000735609_100012179268 [0,1,0,1,0,0|2,0,0]=4 14165 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000738227_100000742324 [0,1,0,1,0,0|2,0,0]=4 14166 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [0,1,0,1,0,0|2,0,0]=4 14167 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [0,1,0,1,0,0|2,0,0]=4 14168 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000737683_100000742324 [0,1,0,1,0,0|2,0,0]=4 14169 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000756562_100000737683 [0,1,0,1,0,0|2,0,0]=4 14170 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [0,1,0,1,0,0|2,0,0]=4 14171 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [0,1,0,1,0,0|2,0,0]=4 14172 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [0,1,0,1,0,0|2,0,0]=4 14173 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [0,1,0,1,0,0|2,0,0]=4 14174 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [0,1,0,1,0,0|2,0,0]=4 14175 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [0,1,0,1,0,0|2,0,0]=4 14176 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [0,1,0,1,0,0|2,0,0]=4 14177 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [0,1,0,1,0,0|1,0,0]=3 14178 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [0,1,0,1,0,0|1,0,0]=3 14179 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [0,1,0,1,0,0|1,0,0]=3 14180 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [0,1,0,1,0,0|1,0,0]=3 14181 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [0,1,0,1,0,0|1,0,0]=3 14182 B11R1.237 COC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000742370 [0,1,0,1,0,0|2,0,0]=4 14183 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [0,1,0,1,0,0|1,0,0]=3 14184 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [0,1,0,1,0,0|1,0,0]=3 14185 B11R1.237 COC(=O)CCSCC1CO1 62a_100000204255_102125554688 [0,1,0,1,0,0|2,0,0]=4 14186 B11R1.237 COC(=O)CCSCC1CO1 62a_102125554688_100000204255 [0,1,0,1,0,0|2,0,0]=4 14187 B11R1.237 COC(=O)CCSCC1CS1 62a_100000031435_100000204255 [0,1,0,1,0,0|2,0,0]=4 14188 B11R1.237 COC(=O)CCSCC1CS1 62a_100000204255_100000031435 [0,1,0,1,0,0|2,0,0]=4 14189 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000204255_100000745022 [0,1,0,1,0,0|2,0,0]=4 14190 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000204255 [0,1,0,1,0,0|2,0,0]=4 14191 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [0,1,0,1,0,0|1,0,0]=3 14192 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,1,0,1,0,0|1,0,0]=3 14193 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,1,0,1,0,0|1,0,0]=3 14194 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [0,1,0,1,0,0|2,0,0]=4 14195 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [0,1,0,1,0,0|1,0,0]=3 14196 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [0,1,0,1,0,0|1,0,0]=3 14197 B11R1.237 COC(=O)CSCCC1CO1 62a_100000732470_100000747449 [0,1,0,1,0,0|2,0,0]=4 14198 B11R1.237 COC(=O)CSCCC1CO1 62a_100000747449_100000732470 [0,1,0,1,0,0|2,0,0]=4 14199 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [0,1,0,1,0,0|2,0,0]=4 14200 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,1,0,1,0,0|2,0,0]=4 14201 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [0,1,0,1,0,0|2,0,0]=4 14202 B11R1.237 NC(=NO)CCOCC1CC1 34a_100000749954_100000742324 [0,1,0,1,0,0|2,0,0]=4 14203 B11R1.237 NNC(=O)CCCOC1CC1 34a_100000211488_100000211595 [0,1,0,1,0,0|2,0,0]=4 14204 B11R1.262 CCC1CN(C1)CCC(=O)C 269982a_100015205115_100000053229 [0,1,0,1,0,0|2,0,0]=4 14205 B11R1.262 CCC1CN(C1)CCC(=O)N 2230a_100015205115_100000744528 [0,1,0,1,0,0|2,0,0]=4 14206 B11R1.262 CCC1CN(C1)CCC(=O)N 269982a_100015205115_100000744528 [0,1,0,1,0,0|2,0,0]=4 14207 B11R1.262 O=C(O)CNC1CC(C1)CO 269956a_100016091260_100009874164 [0,1,0,1,0,0|2,0,0]=4 14208 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [0,1,0,1,0,0|2,0,0]=4 14209 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [0,1,0,1,0,0|2,0,0]=4 14210 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [0,1,0,1,0,0|2,0,0]=4 14211 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [0,1,0,1,0,0|2,0,0]=4 14212 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [0,1,0,1,0,0|2,0,0]=4 14213 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,1,0,1,0,0|2,0,0]=4 14214 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,1,0,1,0,0|2,0,0]=4 14215 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|1,0,0]=3 14216 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,1,0,1,0,0|2,0,0]=4 14217 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,1,0,1,0,0|2,0,0]=4 14218 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,1,0,1,0,0|2,0,0]=4 14219 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,1,0,1,0,0|2,0,0]=4 14220 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|1,0,0]=3 14221 B11R1.717 CC(=O)CCCOC1(CC1)C 7a_100011725673_100011215641 [0,1,0,1,0,0|2,0,0]=4 14222 B11R1.717 CC(=O)CCOCC1(CC1)C 7a_100000698024_100000053229 [0,1,0,1,0,0|2,0,0]=4 14223 B11R1.717 CC(=O)CCOCC1(CC1)F 7a_200000703853_100000053229 [0,1,0,1,0,0|2,0,0]=4 14224 B11R1.717 CC1(CC1)CNCCC(=O)N 2230a_100000766693_100000744528 [0,1,0,1,0,0|2,0,0]=4 14225 B11R1.717 CC1(CC1)COCCC(=O)N 7a_100000698024_100000744528 [0,1,0,1,0,0|2,0,0]=4 14226 B11R1.717 CC1(CC1)OCCCC(=O)N 7a_100011725673_100102525003 [0,1,0,1,0,0|2,0,0]=4 14227 B11R1.717 NC(=O)CCNCC1(CC1)O 2230a_100011936951_100000744528 [0,1,0,1,0,0|2,0,0]=4 14228 B11R1.717 NC(=O)CCOCC1(CC1)F 34a_200000703853_100000731001 [0,1,0,1,0,0|2,0,0]=4 14229 B11R1.717 NC(=O)CCOCC1(CC1)F 7a_200000703853_100000744528 [0,1,0,1,0,0|2,0,0]=4 14230 B11R1.870 CCC(C)N1CCC1C(=O)O 269956a_100000021838_100000758301 [0,1,0,1,0,0|1,0,0]=3 14231 B11R1.870 COC(C)N1CCC1C(=O)O 269956a_100000021838_100009879195 [0,1,0,1,0,0|2,0,0]=4 14232 B11R1.870 C[C@H](CO)N1CCC1C(=O)O 269956a_100000021838_100016084084 [0,1,0,1,0,0|2,0,0]=4 14233 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,1,0,1,0,0|2,0,0]=4 14234 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,1,0,1,0,0|2,0,0]=4 14235 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,1,0,1,0,0|2,0,0]=4 14236 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,1,0,1,0,0|2,0,0]=4 14237 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,1,0,1,0,0|2,0,0]=4 14238 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,1,0,1,0,0|2,0,0]=4 14239 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,1,0,1,0,0|2,0,0]=4 14240 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,1,0,1,0,0|2,0,0]=4 14241 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,1,0,1,0,0|2,0,0]=4 14242 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,1,0,1,0,0|2,0,0]=4 14243 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [0,1,0,1,0,0|1,0,0]=3 14244 B11R1.25 C#CC(=O)CCN1CCCC1 1458a_100000211873_100000004467 [0,1,0,1,0,0|2,0,0]=4 14245 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,1,0,1,0,0|1,0,0]=3 14246 B11R1.25 C=CC(=O)CCN1CCCC1 1458a_100000185746_100000004467 [0,1,0,1,0,0|2,0,0]=4 14247 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,1,0,1,0,0|2,0,0]=4 14248 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,1,0,1,0,0|2,0,0]=4 14249 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,1,0,0|1,0,0]=3 14250 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,1,0,0|1,0,0]=3 14251 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,1,0,1,0,0|2,0,0]=4 14252 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,1,0,1,0,0|2,0,0]=4 14253 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,1,0,1,0,0|2,0,0]=4 14254 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,1,0,1,0,0|2,0,0]=4 14255 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,1,0,1,0,0|2,0,0]=4 14256 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,1,0,1,0,0|2,0,0]=4 14257 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,1,0,1,0,0|2,0,0]=4 14258 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,1,0,1,0,0|2,0,0]=4 14259 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,1,0,1,0,0|2,0,0]=4 14260 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,1,0,1,0,0|2,0,0]=4 14261 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,1,0,1,0,0|2,0,0]=4 14262 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,1,0,1,0,0|2,0,0]=4 14263 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,1,0,1,0,0|1,0,0]=3 14264 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,1,0,1,0,0|1,0,0]=3 14265 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,1,0,1,0,0|1,0,0]=3 14266 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,1,0,1,0,0|1,0,0]=3 14267 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,1,0,1,0,0|2,0,0]=4 14268 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,1,0,1,0,0|2,0,0]=4 14269 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,1,0,1,0,0|2,0,0]=4 14270 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,1,0,1,0,0|2,0,0]=4 14271 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [0,1,0,1,0,0|2,0,0]=4 14272 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [0,1,0,1,0,0|2,0,0]=4 14273 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [0,1,0,1,0,0|2,0,0]=4 14274 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,1,0,1,0,0|2,0,0]=4 14275 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,1,0,1,0,0|2,0,0]=4 14276 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,1,0,1,0,0|2,0,0]=4 14277 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,1,0,1,0,0|2,0,0]=4 14278 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,1,0,1,0,0|2,0,0]=4 14279 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,1,0,1,0,0|2,0,0]=4 14280 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,1,0,1,0,0|2,0,0]=4 14281 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,1,0,1,0,0|2,0,0]=4 14282 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,1,0,1,0,0|2,0,0]=4 14283 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,1,0,1,0,0|2,0,0]=4 14284 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,1,0,1,0,0|2,0,0]=4 14285 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,1,0,1,0,0|2,0,0]=4 14286 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,1,0,1,0,0|2,0,0]=4 14287 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,1,0,1,0,0|2,0,0]=4 14288 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,1,0,1,0,0|2,0,0]=4 14289 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,1,0,1,0,0|2,0,0]=4 14290 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,1,0,1,0,0|2,0,0]=4 14291 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,1,0,1,0,0|2,0,0]=4 14292 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,1,0,1,0,0|2,0,0]=4 14293 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,1,0,1,0,0|1,0,0]=3 14294 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,1,0,1,0,0|1,0,0]=3 14295 B11R1.25 COC(=O)CCN1CCSC1 2230a_100011215254_100000204255 [0,1,0,1,0,0|2,0,0]=4 14296 B11R1.25 COC(=O)CCN1CCSC1 269982a_100011215254_100000204255 [0,1,0,1,0,0|2,0,0]=4 14297 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,1,0,1,0,0|1,0,0]=3 14298 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,1,0,1,0,0|1,0,0]=3 14299 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [0,1,0,1,0,0|2,0,0]=4 14300 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [0,1,0,1,0,0|2,0,0]=4 14301 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [0,1,0,1,0,0|2,0,0]=4 14302 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,1,0,1,0,0|1,0,0]=3 14303 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,1,0,1,0,0|1,0,0]=3 14304 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [0,1,0,1,0,0|2,0,0]=4 14305 B11R1.25 COC(=O)COC1CCSC1 7a_100011232664_100000747449 [0,1,0,1,0,0|2,0,0]=4 14306 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [0,1,0,1,0,0|2,0,0]=4 14307 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,1,0,1,0,0|1,0,0]=3 14308 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,1,0,1,0,0|1,0,0]=3 14309 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [0,1,0,1,0,0|2,0,0]=4 14310 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,1,0,1,0,0|1,0,0]=3 14311 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,1,0,1,0,0|2,0,0]=4 14312 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [0,1,0,1,0,0|2,0,0]=4 14313 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,1,0,1,0,0|2,0,0]=4 14314 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,1,0,0|0,0,0]=2 14315 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,1,0,1,0,0|2,0,0]=4 14316 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,1,0,1,0,0|1,0,0]=3 14317 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,1,0,1,0,0|1,0,0]=3 14318 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,1,0,1,0,0|1,0,0]=3 14319 B11R1.25 O=C(CO)NCC1CCOC1 240690a_100000737293_100000210174 [0,1,0,1,0,0|2,0,0]=4 14320 B11R1.25 O=C(CO)NCC1CCOC1 527a_100000737293_100000210174 [0,1,0,1,0,0|2,0,0]=4 14321 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 240690a_100020590478_100000210174 [0,1,0,1,0,0|2,0,0]=4 14322 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 527a_100020590478_100000210174 [0,1,0,1,0,0|2,0,0]=4 14323 B11R1.25 O=C(CO)NNC1CCCC1 22a_100000737850_100000210174 [0,1,0,1,0,0|2,0,0]=4 14324 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,1,0,1,0,0|1,0,0]=3 14325 B11R1.40 C#CC(=O)CC1CCCCO1 1458a_100000211873_100000211543 [0,1,0,1,0,0|2,0,0]=4 14326 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,1,0,1,0,0|2,0,0]=4 14327 B11R1.40 C#CC(=O)CC1CCOCC1 1458a_100000211873_100000754603 [0,1,0,1,0,0|2,0,0]=4 14328 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,1,0,1,0,0|1,0,0]=3 14329 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,1,0,1,0,0|2,0,0]=4 14330 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,1,0,1,0,0|2,0,0]=4 14331 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,1,0,1,0,0|2,0,0]=4 14332 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,1,0,1,0,0|2,0,0]=4 14333 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,1,0,1,0,0|2,0,0]=4 14334 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,1,0,0|1,0,0]=3 14335 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,1,0,0|1,0,0]=3 14336 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,1,0,1,0,0|2,0,0]=4 14337 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,1,0,1,0,0|2,0,0]=4 14338 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,1,0,1,0,0|2,0,0]=4 14339 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,1,0,1,0,0|2,0,0]=4 14340 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,1,0,1,0,0|2,0,0]=4 14341 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,1,0,1,0,0|2,0,0]=4 14342 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,1,0,1,0,0|2,0,0]=4 14343 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,1,0,1,0,0|2,0,0]=4 14344 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,1,0,1,0,0|2,0,0]=4 14345 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,1,0,1,0,0|2,0,0]=4 14346 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,1,0,1,0,0|2,0,0]=4 14347 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,1,0,1,0,0|1,0,0]=3 14348 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,1,0,1,0,0|1,0,0]=3 14349 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,1,0,1,0,0|1,0,0]=3 14350 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,1,0,1,0,0|1,0,0]=3 14351 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,1,0,1,0,0|2,0,0]=4 14352 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,1,0,1,0,0|2,0,0]=4 14353 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,1,0,1,0,0|2,0,0]=4 14354 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,1,0,1,0,0|2,0,0]=4 14355 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,1,0,1,0,0|2,0,0]=4 14356 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,1,0,1,0,0|2,0,0]=4 14357 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,1,0,1,0,0|2,0,0]=4 14358 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,1,0,1,0,0|2,0,0]=4 14359 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [0,1,0,1,0,0|2,0,0]=4 14360 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [0,1,0,1,0,0|2,0,0]=4 14361 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [0,1,0,1,0,0|2,0,0]=4 14362 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [0,1,0,1,0,0|2,0,0]=4 14363 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,1,0,1,0,0|2,0,0]=4 14364 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,1,0,1,0,0|2,0,0]=4 14365 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,1,0,1,0,0|2,0,0]=4 14366 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,1,0,1,0,0|2,0,0]=4 14367 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,1,0,1,0,0|2,0,0]=4 14368 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,1,0,1,0,0|2,0,0]=4 14369 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,1,0,1,0,0|2,0,0]=4 14370 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [0,1,0,1,0,0|2,0,0]=4 14371 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [0,1,0,1,0,0|2,0,0]=4 14372 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [0,1,0,1,0,0|2,0,0]=4 14373 B11R1.40 COC(=O)CN1CCOCC1 2230a_100015191051_100000747449 [0,1,0,1,0,0|2,0,0]=4 14374 B11R1.40 COC(=O)CN1CCOCC1 269982a_100015191051_100000747449 [0,1,0,1,0,0|2,0,0]=4 14375 B11R1.40 COC(=O)CN1CCOCC1 34a_100015191051_100000747449 [0,1,0,1,0,0|2,0,0]=4 14376 B11R1.40 COC(=O)CN1CCSCC1 2230a_100000737611_100000747449 [0,1,0,1,0,0|2,0,0]=4 14377 B11R1.40 COC(=O)CN1CCSCC1 269982a_100000737611_100000747449 [0,1,0,1,0,0|2,0,0]=4 14378 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,1,0,1,0,0|1,0,0]=3 14379 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,1,0,1,0,0|2,0,0]=4 14380 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,1,0,1,0,0|2,0,0]=4 14381 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [0,1,0,1,0,0|2,0,0]=4 14382 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [0,1,0,1,0,0|2,0,0]=4 14383 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,1,0,0|0,0,0]=2 14384 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,1,0,0|1,0,0]=3 14385 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,1,0,1,0,0|1,0,0]=3 14386 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,1,0,1,0,0|1,0,0]=3 14387 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,1,0,1,0,0|1,0,0]=3 14388 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,1,0,1,0,0|1,0,0]=3 14389 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,1,0,1,0,0|2,0,0]=4 14390 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,1,0,1,0,0|2,0,0]=4 14391 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [0,1,0,1,0,0|2,0,0]=4 14392 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [0,1,0,1,0,0|2,0,0]=4 14393 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [0,1,0,1,0,0|2,0,0]=4 14394 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [0,1,0,1,0,0|2,0,0]=4 14395 B11R1.59 C=CC(=O)N1CCCC1CC 1626a_100000754278_100000185746 [0,1,0,1,0,0|2,0,0]=4 14396 B11R1.59 C=CC(=O)N1CCCC1CC 240690a_100000754278_200121576911 [0,1,0,1,0,0|2,0,0]=4 14397 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,1,0,1,0,0|2,0,0]=4 14398 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 14399 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 14400 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 14401 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 14402 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,1,0,1,0,0|1,0,0]=3 14403 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,1,0,1,0,0|1,0,0]=3 14404 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [0,1,0,1,0,0|2,0,0]=4 14405 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [0,1,0,1,0,0|2,0,0]=4 14406 B11R1.59 CCN1CCCC1C(=O)CF 1458a_106256033941_100015361967 [0,1,0,1,0,0|2,0,0]=4 14407 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [0,1,0,1,0,0|2,0,0]=4 14408 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [0,1,0,1,0,0|2,0,0]=4 14409 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [0,1,0,1,0,0|2,0,0]=4 14410 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [0,1,0,1,0,0|2,0,0]=4 14411 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [0,1,0,1,0,0|2,0,0]=4 14412 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [0,1,0,1,0,0|1,0,0]=3 14413 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [0,1,0,1,0,0|1,0,0]=3 14414 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [0,1,0,1,0,0|2,0,0]=4 14415 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [0,1,0,1,0,0|2,0,0]=4 14416 B11R1.59 CCN1CSCC1C(=O)OC 269982a_200000724679_100000204670 [0,1,0,1,0,0|2,0,0]=4 14417 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,1,0,1,0,0|1,0,0]=3 14418 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,1,0,1,0,0|1,0,0]=3 14419 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,1,0,1,0,0|1,0,0]=3 14420 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,1,0,1,0,0|1,0,0]=3 14421 B11R1.59 COC(=O)[C@@H]1CCCN1CF 269982a_100000752040_100015361967 [0,1,0,1,0,0|2,0,0]=4 14422 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 240690a_100000745186_100000210174 [0,1,0,1,0,0|2,0,0]=4 14423 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 527a_100000745186_100000210174 [0,1,0,1,0,0|2,0,0]=4 14424 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [0,1,0,1,0,0|1,0,0]=3 14425 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [0,1,0,1,0,0|1,0,0]=3 14426 B11R1.115 COC(=O)[C@@H]1CCN1CCF 2230a_102516456887_100011217306 [0,1,0,1,0,0|2,0,0]=4 14427 B11R1.115 COC(=O)[C@@H]1CCN1CCF 269982a_102516456887_100011217306 [0,1,0,1,0,0|2,0,0]=4 14428 B11R1.115 COC(=O)[C@@H]1CCN1CCO 2230a_102516456887_100000211926 [0,1,0,1,0,0|2,0,0]=4 14429 B11R1.115 COC(=O)[C@@H]1CCN1CCO 269982a_102516456887_100000211926 [0,1,0,1,0,0|2,0,0]=4 14430 B11R1.115 COC(=O)[C@@H]1CCN1CSC 2230a_102516456887_100011218213 [0,1,0,1,0,0|2,0,0]=4 14431 B11R1.115 COC(=O)[C@@H]1CCN1CSC 269982a_102516456887_100011218213 [0,1,0,1,0,0|2,0,0]=4 14432 B11R1.115 COCC1CCN1C(=O)CO 240690a_100015195929_100000210174 [0,1,0,1,0,0|2,0,0]=4 14433 B11R1.115 COCC1CCN1C(=O)CO 527a_100015195929_100000210174 [0,1,0,1,0,0|2,0,0]=4 14434 B11R1.115 COCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000766300 [0,1,0,1,0,0|2,0,0]=4 14435 B11R1.115 COCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000766300 [0,1,0,1,0,0|2,0,0]=4 14436 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,1,0,1,0,0|2,0,0]=4 14437 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,1,0,1,0,0|2,0,0]=4 14438 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,1,0,1,0,0|2,0,0]=4 14439 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,1,0,1,0,0|2,0,0]=4 14440 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,1,0,1,0,0|2,0,0]=4 14441 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,1,0,1,0,0|2,0,0]=4 14442 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [0,1,0,1,0,0|1,0,0]=3 14443 B11R1.218 COC(=O)C1CN1CCCF 2230a_200009830135_100011934791 [0,1,0,1,0,0|2,0,0]=4 14444 B11R1.218 COC(=O)C1CN1CCCO 2230a_200009830135_100000230001 [0,1,0,1,0,0|2,0,0]=4 14445 B11R1.218 COC(=O)C1CN1CCSC 2230a_200009830135_100000751147 [0,1,0,1,0,0|2,0,0]=4 14446 B11R1.218 COCCN1CC1C(=O)OC 2230a_200009830135_100011201679 [0,1,0,1,0,0|2,0,0]=4 14447 B11R1.222 C=CC(=O)N1CCCCC1C 1626a_100000211376_100000185746 [0,1,0,1,0,0|2,0,0]=4 14448 B11R1.222 C=CC(=O)N1CCCCC1C 240690a_100000211376_200121576911 [0,1,0,1,0,0|2,0,0]=4 14449 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,1,0,1,0,0|1,0,0]=3 14450 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,1,0,1,0,0|1,0,0]=3 14451 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,1,0,1,0,0|1,0,0]=3 14452 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,1,0,0|1,0,0]=3 14453 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,1,0,1,0,0|2,0,0]=4 14454 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 14455 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 14456 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 14457 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,1,0,1,0,0|2,0,0]=4 14458 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,1,0,1,0,0|2,0,0]=4 14459 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [0,1,0,1,0,0|2,0,0]=4 14460 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,1,0,1,0,0|1,0,0]=3 14461 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 14462 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 14463 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 14464 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [0,1,0,1,0,0|2,0,0]=4 14465 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [0,1,0,1,0,0|2,0,0]=4 14466 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [0,1,0,1,0,0|2,0,0]=4 14467 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [0,1,0,1,0,0|2,0,0]=4 14468 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [0,1,0,1,0,0|2,0,0]=4 14469 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [0,1,0,1,0,0|2,0,0]=4 14470 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [0,1,0,1,0,0|2,0,0]=4 14471 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [0,1,0,1,0,0|2,0,0]=4 14472 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [0,1,0,1,0,0|2,0,0]=4 14473 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [0,1,0,1,0,0|2,0,0]=4 14474 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [0,1,0,1,0,0|2,0,0]=4 14475 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [0,1,0,1,0,0|2,0,0]=4 14476 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,1,0,1,0,0|1,0,0]=3 14477 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,1,0,1,0,0|1,0,0]=3 14478 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,1,0,1,0,0|1,0,0]=3 14479 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,1,0,1,0,0|1,0,0]=3 14480 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,1,0,1,0,0|1,0,0]=3 14481 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,1,0,1,0,0|1,0,0]=3 14482 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [0,1,0,1,0,0|2,0,0]=4 14483 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [0,1,0,1,0,0|2,0,0]=4 14484 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [0,1,0,1,0,0|2,0,0]=4 14485 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [0,1,0,1,0,0|2,0,0]=4 14486 B11R1.222 C[C@H]1COCCN1C(=O)CO 240690a_100009815349_100000210174 [0,1,0,1,0,0|2,0,0]=4 14487 B11R1.222 C[C@H]1COCCN1C(=O)CO 527a_100009815349_100000210174 [0,1,0,1,0,0|2,0,0]=4 14488 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,1,0,1,0,0|2,0,0]=4 14489 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,1,0,1,0,0|1,0,1]=4 14490 B11R1.223 CNC(=O)CCN1CCC1C 269982a_100000755817_100000737683 [0,1,0,1,0,0|2,0,0]=4 14491 B11R1.223 CNC(=O)CCN1CCC1C 34a_100000755817_100012179268 [0,1,0,1,0,0|2,0,0]=4 14492 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [0,1,0,1,0,0|1,0,0]=3 14493 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [0,1,0,1,0,0|1,0,0]=3 14494 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,1,0,1,0,0|1,0,1]=4 14495 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,1,0,1,0,0|2,0,0]=4 14496 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,1,0,1,0,0|2,0,0]=4 14497 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [0,1,0,1,0,0|2,0,0]=4 14498 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [0,1,0,1,0,0|2,0,0]=4 14499 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [0,1,0,1,0,0|2,0,0]=4 14500 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [0,1,0,1,0,0|2,0,0]=4 14501 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [0,1,0,1,0,0|2,0,0]=4 14502 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [0,1,0,1,0,0|1,0,0]=3 14503 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [0,1,0,1,0,0|1,0,0]=3 14504 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [0,1,0,1,0,0|1,0,0]=3 14505 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [0,1,0,1,0,0|1,0,0]=3 14506 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [0,1,0,1,0,0|1,0,0]=3 14507 B11R1.228 COC(=O)CN1CCSC1C 2230a_200011216479_100000747449 [0,1,0,1,0,0|2,0,0]=4 14508 B11R1.228 COC(=O)CN1CCSC1C 269982a_200011216479_100000747449 [0,1,0,1,0,0|2,0,0]=4 14509 B11R1.228 COC(=O)CN1CCSC1C 34a_200011216479_100000747449 [0,1,0,1,0,0|2,0,0]=4 14510 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [0,1,0,1,0,0|1,0,0]=3 14511 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [0,1,0,1,0,0|1,0,0]=3 14512 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [0,1,0,1,0,0|1,0,0]=3 14513 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [0,1,0,1,0,0|1,0,0]=3 14514 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [0,1,0,1,0,0|1,0,0]=3 14515 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [0,1,0,1,0,0|1,0,0]=3 14516 B11R1.228 O=C(CO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210174 [0,1,0,1,0,0|2,0,0]=4 14517 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,1,0,1,0,0|2,0,0]=4 14518 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,1,0,1,0,0|2,0,0]=4 14519 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,1,0,1,0,0|2,0,0]=4 14520 B11R1.236 CNC(=O)CCCN1CCC1 269982a_100000754969_100000741757 [0,1,0,1,0,0|2,0,0]=4 14521 B11R1.236 CNC(=O)CCNC1CCC1 2230a_100000749019_100000737683 [0,1,0,1,0,0|2,0,0]=4 14522 B11R1.236 CNC(=O)CCNC1CCC1 270004a_100000738227_100000241760 [0,1,0,1,0,0|2,0,0]=4 14523 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000738227_100000749161 [0,1,0,1,0,0|2,0,0]=4 14524 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000749019_100012179268 [0,1,0,1,0,0|2,0,0]=4 14525 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000748187_100012179268 [0,1,0,1,0,0|2,0,0]=4 14526 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000754576_100000749161 [0,1,0,1,0,0|2,0,0]=4 14527 B11R1.236 CNC(=O)CCSC1CCC1 62a_100000737683_100000749161 [0,1,0,1,0,0|2,0,0]=4 14528 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000693194_100000763275 [0,1,0,1,0,0|2,0,0]=4 14529 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000738700_100000183359 [0,1,0,1,0,0|2,0,0]=4 14530 B11R1.236 CNC(=O)CNCC1CCC1 269862a_100000693194_100000753134 [0,1,0,1,0,0|2,0,0]=4 14531 B11R1.236 CNC(=O)CNCC1CCC1 34a_100000738700_100000183359 [0,1,0,1,0,0|2,0,0]=4 14532 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [0,1,0,1,0,0|2,0,0]=4 14533 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [0,1,0,1,0,0|2,0,0]=4 14534 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000183359_100000763275 [0,1,0,1,0,0|2,0,0]=4 14535 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000763275_100000183359 [0,1,0,1,0,0|2,0,0]=4 14536 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [0,1,0,1,0,0|1,0,0]=3 14537 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [0,1,0,1,0,0|1,0,0]=3 14538 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [0,1,0,1,0,0|1,0,0]=3 14539 B11R1.236 COC(=O)CCNC1COC1 2230a_100016991112_100000204255 [0,1,0,1,0,0|2,0,0]=4 14540 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [0,1,0,1,0,0|1,0,0]=3 14541 B11R1.236 COC(=O)CCOC1CSC1 7a_100000072292_100000204255 [0,1,0,1,0,0|2,0,0]=4 14542 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [0,1,0,1,0,0|1,0,0]=3 14543 B11R1.236 COC(=O)CCSC1COC1 62a_100000204255_100009818527 [0,1,0,1,0,0|2,0,0]=4 14544 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [0,1,0,1,0,0|1,0,0]=3 14545 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [0,1,0,1,0,0|1,0,0]=3 14546 B11R1.236 COC(=O)CNCC1COC1 2230a_100015281925_100000747449 [0,1,0,1,0,0|2,0,0]=4 14547 B11R1.236 COC(=O)CNCC1COC1 34a_100015281925_100000747449 [0,1,0,1,0,0|2,0,0]=4 14548 B11R1.236 COC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747449 [0,1,0,1,0,0|2,0,0]=4 14549 B11R1.236 COC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000747449 [0,1,0,1,0,0|2,0,0]=4 14550 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [0,1,0,1,0,0|1,0,0]=3 14551 B11R1.236 COC(=O)COCC1CCO1 34a_100000039022_100000747449 [0,1,0,1,0,0|2,0,0]=4 14552 B11R1.236 COC(=O)COCC1CNC1 34a_100016987283_100000747449 [0,1,0,1,0,0|2,0,0]=4 14553 B11R1.236 COC(=O)COCC1COC1 34a_100000060846_100000747449 [0,1,0,1,0,0|2,0,0]=4 14554 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [0,1,0,1,0,0|1,0,0]=3 14555 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [0,1,0,1,0,0|1,0,0]=3 14556 B11R1.236 COC(=O)CSCC1CCO1 62a_100000103362_100000747449 [0,1,0,1,0,0|2,0,0]=4 14557 B11R1.236 COC(=O)CSCC1CCO1 62a_100000747449_100000103362 [0,1,0,1,0,0|2,0,0]=4 14558 B11R1.236 COC(=O)CSCC1COC1 62a_100000747449_100010264016 [0,1,0,1,0,0|2,0,0]=4 14559 B11R1.236 COC(=O)CSCC1COC1 62a_100010264016_100000747449 [0,1,0,1,0,0|2,0,0]=4 14560 B11R1.236 NC(=NO)CCOC1CCC1 34a_100000749954_100000749161 [0,1,0,1,0,0|2,0,0]=4 14561 B11R1.236 O=C(CO)NCCN1CCC1 240690a_100000691440_100000210174 [0,1,0,1,0,0|2,0,0]=4 14562 B11R1.236 O=C(CO)NNCC1CCC1 22a_200020586977_100000210174 [0,1,0,1,0,0|2,0,0]=4 14563 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,1,0,1,0,0|1,0,0]=3 14564 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,1,0,0|1,0,0]=3 14565 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,1,0,1,0,0|2,0,0]=4 14566 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,1,0,1,0,0|2,0,0]=4 14567 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|1,0,0]=3 14568 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|1,0,0]=3 14569 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 14570 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 14571 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 14572 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 14573 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,1,0,0|1,0,0]=3 14574 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 14575 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 14576 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 14577 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,1,0,1,0,0|2,0,0]=4 14578 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,1,0,1,0,0|2,0,0]=4 14579 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,1,0,0|1,0,0]=3 14580 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,0]=2 14581 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|1,0,0]=3 14582 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|1,0,0]=3 14583 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,1,0,1,0,0|2,0,0]=4 14584 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,1,0,1,0,0|2,0,0]=4 14585 B11R1.35 CC(=O)C(C)NC1CCCC1 2230a_100000211070_100009814033 [0,1,0,1,0,0|2,0,0]=4 14586 B11R1.35 CC(=O)C(C)OC1CCCC1 34a_100000212229_100000179811 [0,1,0,1,0,0|2,0,0]=4 14587 B11R1.35 CC(=O)C(C)OC1CCCC1 7a_100000210269_100000179758 [0,1,0,1,0,0|2,0,0]=4 14588 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100009814033_100000179811 [0,1,0,1,0,0|2,0,0]=4 14589 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100011217020_100009814033 [0,1,0,1,0,0|2,0,0]=4 14590 B11R1.35 CC(NC1CCCC1)C(=O)N 2230a_100000211070_100000702099 [0,1,0,1,0,0|2,0,0]=4 14591 B11R1.35 CC(NC1CCCC1)C(=O)N 34a_100000211070_100000702099 [0,1,0,1,0,0|2,0,0]=4 14592 B11R1.35 CC(OC1CCCC1)C(=O)N 34a_100000210269_100000702099 [0,1,0,1,0,0|2,0,0]=4 14593 B11R1.35 CC(OC1CCCC1)C(=O)N 7a_100000210269_100000702099 [0,1,0,1,0,0|2,0,0]=4 14594 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100000702099_100000179811 [0,1,0,1,0,0|2,0,0]=4 14595 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100011217020_100000702099 [0,1,0,1,0,0|2,0,0]=4 14596 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 2230a_100000119354_100000179811 [0,1,0,1,0,0|2,0,0]=4 14597 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 270004a_100000119354_100000210133 [0,1,0,1,0,0|2,0,0]=4 14598 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 34a_100000119354_100000179811 [0,1,0,1,0,0|2,0,0]=4 14599 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 34a_100000731257_100000179811 [0,1,0,1,0,0|2,0,0]=4 14600 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 7a_100000731257_100000179811 [0,1,0,1,0,0|2,0,0]=4 14601 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,1,0,1,0,0|1,0,0]=3 14602 B11R1.35 C[C@H](NC1CCOC1)C(=O)O 269956a_100000743915_100000731011 [0,1,0,1,0,0|2,0,0]=4 14603 B11R1.35 C[C@H](OC1CCCC1)C(=O)[O-] 7a_217856618621_100000179811 [0,1,0,1,0,0|1,0,1]=4 14604 B11R1.35 NC(=O)C(F)NC1CCCC1 2230a_100000211070_100009813875 [0,1,0,1,0,0|2,0,0]=4 14605 B11R1.35 NC(=O)C(F)NC1CCCC1 34a_100000211070_100009813875 [0,1,0,1,0,0|2,0,0]=4 14606 B11R1.35 NC(=O)C(F)OC1CCCC1 34a_100000210269_100009813875 [0,1,0,1,0,0|2,0,0]=4 14607 B11R1.35 NC(=O)C(F)OC1CCCC1 7a_100000210269_100009813875 [0,1,0,1,0,0|2,0,0]=4 14608 B11R1.35 NC(=O)C(F)SC1CCCC1 62a_100009813875_100000179811 [0,1,0,1,0,0|2,0,0]=4 14609 B11R1.35 NC(=O)C(F)SC1CCCC1 62a_100011217020_100009813875 [0,1,0,1,0,0|2,0,0]=4 14610 B11R1.35 O=C([O-])C(F)NC1CCCC1 34a_100000211070_100020610796 [0,1,0,1,0,0|1,0,1]=4 14611 B11R1.35 O=C([O-])C(F)OC1CCCC1 34a_100000210269_100020610796 [0,1,0,1,0,0|1,0,1]=4 14612 B11R1.35 O=C([O-])C(F)SC1CCCC1 62a_100011217020_100020610796 [0,1,0,1,0,0|1,0,1]=4 14613 B11R1.35 O=C([O-])C(F)SC1CCCC1 62a_100020610796_100000179811 [0,1,0,1,0,0|1,0,1]=4 14614 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,1,0,1,0,0|1,0,0]=3 14615 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,1,0,1,0,0|1,0,0]=3 14616 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,1,0,1,0,0|2,0,0]=4 14617 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,1,0,1,0,0|2,0,0]=4 14618 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,1,0,1,0,0|2,0,0]=4 14619 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,1,0,1,0,0|2,0,0]=4 14620 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,1,0,1,0,0|1,0,0]=3 14621 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,1,0,1,0,0|1,0,0]=3 14622 B11R1.89 CC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100009814033 [0,1,0,1,0,0|2,0,0]=4 14623 B11R1.89 CC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100009814033 [0,1,0,1,0,0|2,0,0]=4 14624 B11R1.89 CC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100009814033 [0,1,0,1,0,0|2,0,0]=4 14625 B11R1.89 CC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100009814033 [0,1,0,1,0,0|2,0,0]=4 14626 B11R1.89 CC(C(=O)N)N1CCC[C@@H]1C 2230a_100020605311_100000702099 [0,1,0,1,0,0|2,0,0]=4 14627 B11R1.89 CC(C(=O)N)N1CCC[C@@H]1C 269982a_100020605311_100000184083 [0,1,0,1,0,0|2,0,0]=4 14628 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 2230a_100015189458_100000702099 [0,1,0,1,0,0|2,0,0]=4 14629 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 269982a_100015189458_100000184083 [0,1,0,1,0,0|2,0,0]=4 14630 B11R1.89 CC(C(=O)N)N1CCC[C@H]1C 34a_100015189458_100000702099 [0,1,0,1,0,0|2,0,0]=4 14631 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 2230a_100015189458_100009813875 [0,1,0,1,0,0|2,0,0]=4 14632 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 269982a_100015189458_100009813875 [0,1,0,1,0,0|2,0,0]=4 14633 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)N 34a_100015189458_100009813875 [0,1,0,1,0,0|2,0,0]=4 14634 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)[O-] 34a_100015189458_100020610796 [0,1,0,1,0,0|1,0,1]=4 14635 B11R1.89 C[C@H]1CCCN1C(F)C(=O)N 2230a_100020605311_100009813875 [0,1,0,1,0,0|2,0,0]=4 14636 B11R1.89 C[C@H]1CCCN1C(F)C(=O)N 269982a_100020605311_100009813875 [0,1,0,1,0,0|2,0,0]=4 14637 B11R1.104 CC(=O)C(C)OCC1CC1C 7a_100000744939_100000179758 [0,1,0,1,0,0|2,0,0]=4 14638 B11R1.104 CC(OCC1CC1C)C(=O)N 34a_100000744939_100000702099 [0,1,0,1,0,0|2,0,0]=4 14639 B11R1.104 CC(OCC1CC1C)C(=O)N 7a_100000744939_100000702099 [0,1,0,1,0,0|2,0,0]=4 14640 B11R1.104 CC1CC1COC(F)C(=O)N 34a_100000744939_100009813875 [0,1,0,1,0,0|2,0,0]=4 14641 B11R1.104 CC1CC1COC(F)C(=O)N 7a_100000744939_100009813875 [0,1,0,1,0,0|2,0,0]=4 14642 B11R1.104 CC1CC1COC(F)C(=O)[O-] 34a_100000744939_100020610796 [0,1,0,1,0,0|1,0,1]=4 14643 B11R1.211 CCCCN1CC(C1)C(=O)N 34a_100025753142_100000210210 [0,1,0,1,0,0|2,0,0]=4 14644 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [0,1,0,1,0,0|1,0,0]=3 14645 B11R1.211 COCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000766300 [0,1,0,1,0,0|2,0,0]=4 14646 B11R1.211 CSCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011218213 [0,1,0,1,0,0|2,0,0]=4 14647 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 269956a_100000738708_100011217306 [0,1,0,1,0,0|2,0,0]=4 14648 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [0,1,0,1,0,0|2,0,0]=4 14649 B11R1.332 CC(=O)C(C)COC1CCC1 34a_100000032740_100000749161 [0,1,0,1,0,0|2,0,0]=4 14650 B11R1.332 CC(=O)C(C)NCC1CCC1 2230a_100000738700_100009814033 [0,1,0,1,0,0|2,0,0]=4 14651 B11R1.332 CC(=O)C(C)OCC1CCC1 34a_100000212229_100000763275 [0,1,0,1,0,0|2,0,0]=4 14652 B11R1.332 CC(=O)C(C)SCC1CCC1 62a_100000763275_100009814033 [0,1,0,1,0,0|2,0,0]=4 14653 B11R1.332 CC(=O)C(C)SCC1CCC1 62a_100009814033_100000763275 [0,1,0,1,0,0|2,0,0]=4 14654 B11R1.332 CC(CNC1CCC1)C(=O)O 269956a_100000749485_100000749161 [0,1,0,1,0,0|1,0,0]=3 14655 B11R1.332 CC(CNC1COC1)C(=O)O 269956a_100000749485_100009818527 [0,1,0,1,0,0|2,0,0]=4 14656 B11R1.332 CC(NCC1CCC1)C(=O)N 2230a_100000738700_100000702099 [0,1,0,1,0,0|2,0,0]=4 14657 B11R1.332 CC(NCC1CCC1)C(=O)N 34a_100000738700_100000702099 [0,1,0,1,0,0|2,0,0]=4 14658 B11R1.332 CC(OCC1CCC1)C(=O)N 34a_100000760304_100000702099 [0,1,0,1,0,0|2,0,0]=4 14659 B11R1.332 CC(SCC1CCC1)C(=O)N 62a_100000702099_100000763275 [0,1,0,1,0,0|2,0,0]=4 14660 B11R1.332 CC(SCC1CCC1)C(=O)N 62a_100000763275_100000702099 [0,1,0,1,0,0|2,0,0]=4 14661 B11R1.332 C[C@@H](NCC1CCC1)C(=O)N 2230a_100000119354_100000763275 [0,1,0,1,0,0|2,0,0]=4 14662 B11R1.332 C[C@@H](NCC1CCC1)C(=O)N 34a_100000119354_100000763275 [0,1,0,1,0,0|2,0,0]=4 14663 B11R1.332 C[C@@H](OCC1CCC1)C(=O)N 34a_100000731257_100000763275 [0,1,0,1,0,0|2,0,0]=4 14664 B11R1.332 C[C@@H](OCC1CCC1)C(=O)N 7a_100000731257_100000763275 [0,1,0,1,0,0|2,0,0]=4 14665 B11R1.332 C[C@H](NCC1CCC1)C(=O)O 269956a_100000743915_100000763275 [0,1,0,1,0,0|1,0,0]=3 14666 B11R1.332 C[C@H](NCC1CCO1)C(=O)O 269956a_100000743915_100000103362 [0,1,0,1,0,0|2,0,0]=4 14667 B11R1.332 C[C@H](NCC1COC1)C(=O)O 269956a_100000743915_100010264016 [0,1,0,1,0,0|2,0,0]=4 14668 B11R1.332 C[C@H](OCC1CCC1)C(=O)[O-] 7a_217856618621_100000763275 [0,1,0,1,0,0|1,0,1]=4 14669 B11R1.332 NC(=O)C(F)NCC1CCC1 2230a_100000738700_100009813875 [0,1,0,1,0,0|2,0,0]=4 14670 B11R1.332 NC(=O)C(F)NCC1CCC1 34a_100000738700_100009813875 [0,1,0,1,0,0|2,0,0]=4 14671 B11R1.332 NC(=O)C(F)OCC1CCC1 34a_100000760304_100009813875 [0,1,0,1,0,0|2,0,0]=4 14672 B11R1.332 NC(=O)C(F)SCC1CCC1 62a_100000763275_100009813875 [0,1,0,1,0,0|2,0,0]=4 14673 B11R1.332 NC(=O)C(F)SCC1CCC1 62a_100009813875_100000763275 [0,1,0,1,0,0|2,0,0]=4 14674 B11R1.332 NC(=O)[C@@H](N)COC1CCC1 34a_100000729942_100000749161 [0,1,0,1,0,0|2,0,0]=4 14675 B11R1.332 O=C(O)C(F)CNC1CCC1 269956a_100000084737_100000749161 [0,1,0,1,0,0|1,0,0]=3 14676 B11R1.332 O=C(O)C(F)CNC1COC1 269956a_100000084737_100009818527 [0,1,0,1,0,0|2,0,0]=4 14677 B11R1.332 O=C([O-])C(F)NCC1CCC1 34a_100000738700_100020610796 [0,1,0,1,0,0|1,0,1]=4 14678 B11R1.332 O=C([O-])C(F)OCC1CCC1 34a_100000760304_100020610796 [0,1,0,1,0,0|1,0,1]=4 14679 B11R1.332 O=C([O-])C(F)SCC1CCC1 62a_100000763275_100020610796 [0,1,0,1,0,0|1,0,1]=4 14680 B11R1.332 O=C([O-])C(F)SCC1CCC1 62a_100020610796_100000763275 [0,1,0,1,0,0|1,0,1]=4 14681 B11R1.333 CC(=O)C(C)COCC1CC1 34a_100000032740_100000742324 [0,1,0,1,0,0|2,0,0]=4 14682 B11R1.333 CC(=O)C(C)COCC1CC1 7a_100000032740_100000742324 [0,1,0,1,0,0|2,0,0]=4 14683 B11R1.333 CC(=O)C(C)OCCC1CC1 34a_100000212229_100000694398 [0,1,0,1,0,0|2,0,0]=4 14684 B11R1.333 CC(=O)C(C)OCCC1CC1 7a_100000754188_100000179758 [0,1,0,1,0,0|2,0,0]=4 14685 B11R1.333 CC(=O)C(C)SCCC1CC1 62a_100000764125_100009814033 [0,1,0,1,0,0|2,0,0]=4 14686 B11R1.333 CC(=O)C(C)SCCC1CC1 62a_100009814033_100000764125 [0,1,0,1,0,0|2,0,0]=4 14687 B11R1.333 CC(CNCC1CC1)C(=O)O 269956a_100000749485_100000742324 [0,1,0,1,0,0|1,0,0]=3 14688 B11R1.333 CC(CNCC1CO1)C(=O)O 269956a_100000749485_102125554688 [0,1,0,1,0,0|2,0,0]=4 14689 B11R1.333 CC(CNCC1CS1)C(=O)O 269956a_100000749485_100000031435 [0,1,0,1,0,0|2,0,0]=4 14690 B11R1.333 CC(CNC[C@@H]1CO1)C(=O)O 269956a_100000749485_100000745022 [0,1,0,1,0,0|2,0,0]=4 14691 B11R1.333 CC(NCCC1CC1)C(=O)N 34a_100000764129_100000702099 [0,1,0,1,0,0|2,0,0]=4 14692 B11R1.333 CC(OCCC1CC1)C(=O)N 34a_100000754188_100000702099 [0,1,0,1,0,0|2,0,0]=4 14693 B11R1.333 CC(OCCC1CC1)C(=O)N 7a_100000754188_100000702099 [0,1,0,1,0,0|2,0,0]=4 14694 B11R1.333 CC(SCCC1CC1)C(=O)N 62a_100000702099_100000764125 [0,1,0,1,0,0|2,0,0]=4 14695 B11R1.333 CC(SCCC1CC1)C(=O)N 62a_100000764125_100000702099 [0,1,0,1,0,0|2,0,0]=4 14696 B11R1.333 C[C@@H](NCCC1CC1)C(=O)N 2230a_100000119354_100000694398 [0,1,0,1,0,0|2,0,0]=4 14697 B11R1.333 C[C@@H](NCCC1CC1)C(=O)N 34a_100000119354_100000694398 [0,1,0,1,0,0|2,0,0]=4 14698 B11R1.333 C[C@@H](OCCC1CC1)C(=O)N 34a_100000731257_100000694398 [0,1,0,1,0,0|2,0,0]=4 14699 B11R1.333 C[C@@H](OCCC1CC1)C(=O)N 7a_100000731257_100000764125 [0,1,0,1,0,0|2,0,0]=4 14700 B11R1.333 C[C@H](NCCC1CC1)C(=O)O 269956a_100000743915_100000694398 [0,1,0,1,0,0|1,0,0]=3 14701 B11R1.333 C[C@H](NCCC1CO1)C(=O)O 269956a_100000743915_100000732470 [0,1,0,1,0,0|2,0,0]=4 14702 B11R1.333 C[C@H](OCCC1CC1)C(=O)[O-] 7a_217856618621_100000764125 [0,1,0,1,0,0|1,0,1]=4 14703 B11R1.333 NC(=O)C(F)NCCC1CC1 34a_100000764129_100009813875 [0,1,0,1,0,0|2,0,0]=4 14704 B11R1.333 NC(=O)C(F)OCCC1CC1 34a_100000754188_100009813875 [0,1,0,1,0,0|2,0,0]=4 14705 B11R1.333 NC(=O)C(F)OCCC1CC1 7a_100000754188_100009813875 [0,1,0,1,0,0|2,0,0]=4 14706 B11R1.333 NC(=O)C(F)SCCC1CC1 62a_100000764125_100009813875 [0,1,0,1,0,0|2,0,0]=4 14707 B11R1.333 NC(=O)C(F)SCCC1CC1 62a_100009813875_100000764125 [0,1,0,1,0,0|2,0,0]=4 14708 B11R1.333 NC(=O)[C@@H](N)COCC1CC1 34a_100000729942_100000742324 [0,1,0,1,0,0|2,0,0]=4 14709 B11R1.333 O=C(O)C(F)CNCC1CC1 269956a_100000084737_100000742324 [0,1,0,1,0,0|1,0,0]=3 14710 B11R1.333 O=C(O)C(F)CNCC1CO1 269956a_100000084737_102125554688 [0,1,0,1,0,0|2,0,0]=4 14711 B11R1.333 O=C(O)C(F)CNCC1CS1 269956a_100000084737_100000031435 [0,1,0,1,0,0|2,0,0]=4 14712 B11R1.333 O=C(O)C(F)CNC[C@@H]1CO1 269956a_100000084737_100000745022 [0,1,0,1,0,0|2,0,0]=4 14713 B11R1.333 O=C([O-])C(F)NCCC1CC1 34a_100000764129_100020610796 [0,1,0,1,0,0|1,0,1]=4 14714 B11R1.333 O=C([O-])C(F)OCCC1CC1 34a_100000754188_100020610796 [0,1,0,1,0,0|1,0,1]=4 14715 B11R1.333 O=C([O-])C(F)SCCC1CC1 62a_100000764125_100020610796 [0,1,0,1,0,0|1,0,1]=4 14716 B11R1.333 O=C([O-])C(F)SCCC1CC1 62a_100020610796_100000764125 [0,1,0,1,0,0|1,0,1]=4 14717 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,1,0,1,0,0|1,0,0]=3 14718 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [0,1,0,1,0,0|2,0,0]=4 14719 B11R1.497 CC(=O)N1CCCCC(C1)O 240690a_100025706797_100015343762 [0,1,0,1,0,0|2,0,0]=4 14720 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,1,0,1,0,0|1,0,0]=3 14721 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,1,0,1,0,0|1,0,0]=3 14722 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210202 [0,1,0,1,0,0|2,0,0]=4 14723 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000204670 [0,1,0,1,0,0|2,0,0]=4 14724 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210202 [0,1,0,1,0,0|2,0,0]=4 14725 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000204670 [0,1,0,1,0,0|2,0,0]=4 14726 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210202 [0,1,0,1,0,0|2,0,0]=4 14727 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [0,1,0,1,0,0|1,0,0]=3 14728 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [0,1,0,1,0,0|1,0,0]=3 14729 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)F 269956a_100016993324_100015361967 [0,1,0,1,0,0|2,0,0]=4 14730 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)O 269956a_100000750407_100015361967 [0,1,0,1,0,0|2,0,0]=4 14731 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,1,0,1,0,0|2,0,0]=4 14732 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,1,0,1,0,0|2,0,0]=4 14733 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,1,0,1,0,0|1,0,0]=3 14734 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,1,0,1,0,0|1,0,0]=3 14735 B11R1.287 CCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210211 [0,1,0,1,0,0|1,0,1]=4 14736 B11R1.287 CCCCN(C)C1CC(=O)C1 269982a_100000207549_100009894365 [0,1,0,1,0,0|2,0,0]=4 14737 B11R1.346 CC(=O)CCN(C)C1CCC1 269982a_100000758072_100000053229 [0,1,0,1,0,0|2,0,0]=4 14738 B11R1.346 CC(NCC(=O)N)C1CCC1 2230a_100016994624_100000747473 [0,1,0,1,0,0|2,0,0]=4 14739 B11R1.346 CC(NCC(=O)N)C1CCC1 34a_100016994624_100000187820 [0,1,0,1,0,0|2,0,0]=4 14740 B11R1.346 CC(NCC(=O)[O-])C1CCC1 34a_100016994624_100020667443 [0,1,0,1,0,0|1,0,1]=4 14741 B11R1.346 CC(OCC(=O)N)C1CCC1 34a_100000766398_100000187820 [0,1,0,1,0,0|2,0,0]=4 14742 B11R1.346 CC(OCC(=O)N)C1CCC1 7a_100000766398_100000187820 [0,1,0,1,0,0|2,0,0]=4 14743 B11R1.346 CC(OCC(=O)[O-])C1CCC1 34a_100000766398_100020667443 [0,1,0,1,0,0|1,0,1]=4 14744 B11R1.346 CN(CCC(=O)N)C1CCC1 2230a_100000758072_100000744528 [0,1,0,1,0,0|2,0,0]=4 14745 B11R1.346 CN(CCC(=O)N)C1CCC1 269982a_100000758072_100000744528 [0,1,0,1,0,0|2,0,0]=4 14746 B11R1.346 CN(CCC(=O)N)C1CCC1 270004a_100000730477_100000241760 [0,1,0,1,0,0|2,0,0]=4 14747 B11R1.346 CN(CCC(=O)N)C1CCC1 34a_100000758072_100000731001 [0,1,0,1,0,0|2,0,0]=4 14748 B11R1.346 NC(=O)CCC(=O)C1CCC1 1458a_100011215257_100000749161 [0,1,0,1,0,0|1,0,1]=4 14749 B11R1.348 CC(=O)CCN(C)CC1CC1 269982a_100000741881_100000053229 [0,1,0,1,0,0|2,0,0]=4 14750 B11R1.348 CN(CCC(=O)N)CC1CC1 2230a_100000730477_100000742324 [0,1,0,1,0,0|2,0,0]=4 14751 B11R1.348 CN(CCC(=O)N)CC1CC1 2230a_100000741881_100000744528 [0,1,0,1,0,0|2,0,0]=4 14752 B11R1.348 CN(CCC(=O)N)CC1CC1 269982a_100000741881_100000744528 [0,1,0,1,0,0|2,0,0]=4 14753 B11R1.348 NC(=O)CCC(=O)CC1CC1 1458a_100011215257_100000742324 [0,1,0,1,0,0|1,0,1]=4 14754 B11R1.495 CC1CCC(N1CC(=O)N)C 2230a_100000687148_100000747473 [0,1,0,1,0,0|2,0,0]=4 14755 B11R1.495 CC1CCC(N1CC(=O)N)C 269982a_100000687148_100000187820 [0,1,0,1,0,0|2,0,0]=4 14756 B11R1.495 CC1CCC(N1CC(=O)N)C 34a_100000687148_100000187820 [0,1,0,1,0,0|2,0,0]=4 14757 B11R1.495 CC1CCC(N1CC(=O)[O-])C 269982a_100000687148_100020667443 [0,1,0,1,0,0|1,0,1]=4 14758 B11R1.495 CC1CCC(N1CC(=O)[O-])C 34a_100000687148_100020667443 [0,1,0,1,0,0|1,0,1]=4 14759 B11R1.713 CC(=O)NCC1(CCCC1)O 11a_100000737848_100015343762 [0,1,0,1,0,0|2,0,0]=4 14760 B11R1.713 CC(=O)NCC1(CCCC1)O 1626a_100000737848_100015343762 [0,1,0,1,0,0|2,0,0]=4 14761 B11R1.713 CC(=O)NCC1(CCCC1)O 240690a_100000737848_100015343762 [0,1,0,1,0,0|2,0,0]=4 14762 B11R1.713 CC(=O)NCC1(CCCC1)O 527a_100000737848_100103153847 [0,1,0,1,0,0|2,0,0]=4 14763 B11R1.713 CC1(CCCC1)OCC(=O)N 34a_100000751722_100000187820 [0,1,0,1,0,0|2,0,0]=4 14764 B11R1.713 CC1(CCCC1)OCC(=O)N 7a_100000751722_100000187820 [0,1,0,1,0,0|2,0,0]=4 14765 B11R1.713 CC1(CCCC1)OCC(=O)[O-] 34a_100000751722_100020667443 [0,1,0,1,0,0|1,0,1]=4 14766 B11R1.178 CC(=O)N1CCCC1C(C)C 11a_100000762757_100015343762 [0,1,0,1,0,0|2,0,0]=4 14767 B11R1.178 CC(=O)N1CCCC1C(C)C 1626a_100000762757_100015343762 [0,1,0,1,0,0|2,0,0]=4 14768 B11R1.178 CC(=O)N1CCCC1C(C)C 240690a_100000762757_100015343762 [0,1,0,1,0,0|2,0,0]=4 14769 B11R1.178 CC(=O)N1CCCC1C(C)C 527a_100000762757_100103153847 [0,1,0,1,0,0|2,0,0]=4 14770 B11R1.178 CC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_200000210301 [0,1,0,1,0,0|2,0,0]=4 14771 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)[13CH3] 1458a_100009927065_200025704644 [0,1,0,1,0,0|2,0,0]=4 14772 B11R1.178 CC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000210206 [0,1,0,1,0,0|2,0,0]=4 14773 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [0,1,0,1,0,0|1,0,0]=3 14774 B11R1.178 CC(C)N1CCSC1C(=O)O 269956a_100000035718_100000210206 [0,1,0,1,0,0|2,0,0]=4 14775 B11R1.178 CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000210206 [0,1,0,1,0,0|2,0,0]=4 14776 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100015343762 [0,1,0,1,0,0|2,0,0]=4 14777 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100015343762 [0,1,0,1,0,0|2,0,0]=4 14778 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100015343762 [0,1,0,1,0,0|2,0,0]=4 14779 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100103153847 [0,1,0,1,0,0|2,0,0]=4 14780 B11R1.234 CC1(CCCN1CC(=O)N)C 2230a_100000761399_100000747473 [0,1,0,1,0,0|2,0,0]=4 14781 B11R1.234 CC1(CCCN1CC(=O)N)C 269982a_100000761399_100000187820 [0,1,0,1,0,0|2,0,0]=4 14782 B11R1.234 CC1(CCCN1CC(=O)N)C 34a_100000761399_100000187820 [0,1,0,1,0,0|2,0,0]=4 14783 B11R1.234 CC1(CCCN1CC(=O)[O-])C 269982a_100000761399_100020667443 [0,1,0,1,0,0|1,0,1]=4 14784 B11R1.234 CC1(CCCN1CC(=O)[O-])C 34a_100000761399_100020667443 [0,1,0,1,0,0|1,0,1]=4 14785 B11R1.708 C=C(C)CN1CCC1C(=O)O 269956a_100000021838_100000748629 [0,1,0,1,0,0|1,0,1]=4 14786 B11R1.708 CC(C)CN1CCC1C(=O)O 269956a_100000021838_100000210760 [0,1,0,1,0,0|1,0,0]=3 14787 B11R1.708 CC(O)CN1CCC1C(=O)O 269956a_100000021838_100011218427 [0,1,0,1,0,0|1,0,0]=3 14788 B11R1.708 C[C@@H](O)CN1CCC1C(=O)O 269956a_100000021838_100009817552 [0,1,0,1,0,0|1,0,0]=3 14789 B11R1.708 O=C(O)C1CCN1CC(F)F 269956a_100000021838_100011934356 [0,1,0,1,0,0|2,0,0]=4 14790 B11R1.923 CC1(CC1COCC(=O)N)C 34a_100000728257_100000187820 [0,1,0,1,0,0|2,0,0]=4 14791 B11R1.923 CC1(CC1COCC(=O)N)C 7a_100000728257_100000187820 [0,1,0,1,0,0|2,0,0]=4 14792 B11R1.923 CC1(CC1COCC(=O)[O-])C 34a_100000728257_100020667443 [0,1,0,1,0,0|1,0,1]=4 14793 B11R1.923 O=C(O)CNCC1CC1(F)F 269956a_100016091260_100009817841 [0,1,0,1,0,0|2,0,0]=4 14794 B11R2.351 O=C1CCC(C1)OC2CC2 34a_100012614533_100000211595 [0,0,0,2,0,0|2,0,0]=4 14795 B11R2.351 O=C1OCC(O1)NC2CC2 34a_100000212008_100000032252 [0,0,0,2,0,0|2,0,0]=4 14796 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [0,0,0,2,0,0|2,0,0]=4 14797 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [0,0,0,2,0,0|2,0,0]=4 14798 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [0,0,0,2,0,0|2,0,0]=4 14799 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [0,0,0,2,0,0|2,0,0]=4 14800 B11R2.934 NC(=O)CN1CC2CC2C1 2230a_100000741873_100000747473 [0,0,0,2,0,0|2,0,0]=4 14801 B11R2.934 NC(=O)CN1CC2CC2C1 269982a_100000741873_100000187820 [0,0,0,2,0,0|2,0,0]=4 14802 B11R2.934 NC(=O)CN1CC2CC2C1 34a_100000741873_100000187820 [0,0,0,2,0,0|2,0,0]=4 14803 B11R2.934 O=C([O-])CN1CC2CC2C1 269982a_100000741873_100020667443 [0,0,0,2,0,0|1,0,1]=4 14804 B11R2.934 O=C([O-])CN1CC2CC2C1 34a_100000741873_100020667443 [0,0,0,2,0,0|1,0,1]=4 14805 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,2,0,0|1,0,0]=3 14806 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,2,0,0|1,0,0]=3 14807 B11R2.11 O=C1CC(C1)N2CCCC2 269982a_100000188435_100009894365 [0,0,0,2,0,0|2,0,0]=4 14808 B11R2.113 CC1CCN1C2CC(=O)C2 269982a_100000755817_100009894365 [0,0,0,2,0,0|2,0,0]=4 14809 B11R2.555 O=C1CC(C1)COC2CC2 34a_100000101936_100000211595 [0,0,0,2,0,0|2,0,0]=4 14810 B11R2.555 O=C1CC(C1)CSC2CC2 62a_100009874392_100000211595 [0,0,0,2,0,0|2,0,0]=4 14811 B11R2.555 O=C1CC(C1)SCC2CC2 62a_100009894365_100000742324 [0,0,0,2,0,0|2,0,0]=4 14812 B11R2.782 O=C1CC(C1)CN2CCC2 269982a_100000754969_100009874392 [0,0,0,2,0,0|2,0,0]=4 14813 B11R2.782 O=C1CC(C1)SC2CCC2 62a_100009894365_100000749161 [0,0,0,2,0,0|2,0,0]=4 14814 B11R2.142 CC(=O)N1CCCC12CC2 11a_100020620911_100015343762 [0,0,0,2,0,0|2,0,0]=4 14815 B11R2.142 CC(=O)N1CCCC12CC2 1626a_100020620911_100015343762 [0,0,0,2,0,0|2,0,0]=4 14816 B11R2.142 CC(=O)N1CCCC12CC2 240690a_100020620911_100015343762 [0,0,0,2,0,0|2,0,0]=4 14817 B11R2.142 CC(=O)N1CCCC12CC2 527a_100020620911_100103153847 [0,0,0,2,0,0|2,0,0]=4 14818 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,2,0,0|1,0,0]=3 14819 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,2,0,0|1,0,0]=3 14820 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 14821 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 14822 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 14823 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [0,0,0,2,0,0|2,0,0]=4 14824 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,2,0,0|1,0,0]=3 14825 B11R2.843 O=C(O)C1CCN1C2CC2 269956a_100000021838_100000211595 [0,0,0,2,0,0|1,0,0]=3