0 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,0,0,0,0,0|4,0,0]=4 48 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,0,0,0,0,0|3,0,0]=3 57 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,0,0,0,0,0|3,0,0]=3 58 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,0,0,0,0|2,0,1]=3 68 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,0,0,0,0,0|2,0,2]=4 76 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,0,0,0,0,0|2,0,2]=4 77 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,0,0,0,0,0|1,0,2]=3 79 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,0,0,0,0,0|2,0,1]=3 80 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,0,0,0,0|1,0,0]=1 83 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,0,0,0,0|1,0,0]=1 84 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,0,0,0,0|3,0,0]=3 86 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,0,0,0,0,0|4,0,0]=4 89 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,0,0,0,0|3,0,0]=3 90 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,0,0,0,0|3,0,0]=3 91 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,0,0,0,0,0|3,0,0]=3 92 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,0,0,0,0,0|3,0,0]=3 93 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,0,0,0,0|3,0,0]=3 95 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,0,0,0,0|2,0,0]=2 96 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,0,0,0,0|2,0,0]=2 97 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,0,0,0,0|2,0,0]=2 107 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,0,0,0,0|2,0,0]=2 108 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,0,0,0,0,0|4,0,0]=4 110 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,0,0,0,0,0|4,0,0]=4 111 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,0,0,0,0,0|4,0,0]=4 112 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,0,0,0,0,0|2,0,1]=3 140 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,0,0,0,0,0|2,0,1]=3 141 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,0,0,0,0,0|2,0,1]=3 142 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,0,0,0,0,0|2,0,1]=3 143 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,0,0,0,0,0|2,0,1]=3 148 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,0,0,0,0,0|2,0,1]=3 149 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,0,0,0,0|2,0,2]=4 150 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,0,0,0,0|2,0,2]=4 151 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,0,0,0,0|2,0,2]=4 152 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,0,0,0,0,0|2,0,2]=4 153 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,0,0,0,0|2,0,2]=4 154 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,0,0,0,0|2,0,2]=4 155 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,0,0,0,0|2,0,2]=4 156 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,0,0,0,0|2,0,2]=4 157 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,0,0,0,0|2,0,0]=2 158 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,0,0,0,0|2,0,0]=2 159 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,0,0,0,0|2,0,0]=2 160 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,0,0,0,0,0|4,0,0]=4 161 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,0,0,0,0,0|4,0,0]=4 162 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,0,0,0,0,0|4,0,0]=4 164 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,0,0,0,0,0|4,0,0]=4 165 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,0,0,0,0,0|4,0,0]=4 166 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,0,0,0,0|3,0,0]=3 169 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,0,0,0,0|3,0,0]=3 170 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,0,0,0,0|3,0,0]=3 171 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,0,0,0,0|2,0,0]=2 172 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,0,0,0,0,0|3,0,1]=4 173 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,0,0,0,0|4,0,0]=4 175 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,0,0,0,0|3,0,0]=3 176 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,0,0,0,0|3,0,0]=3 177 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,0,0,0,0|3,0,0]=3 178 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,0,0,0,0|3,0,0]=3 179 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,0,0,0,0|2,0,1]=3 180 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,0,0,0,0|3,0,0]=3 184 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,0,0,0,0|3,0,0]=3 186 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,0,0,0,0|3,0,0]=3 187 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,0,0,0,0|2,0,1]=3 188 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,0,0,0,0|2,0,1]=3 189 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,0,0,0,0,0|3,0,1]=4 192 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,0,0,0,0,0|3,0,1]=4 193 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,0,0,0,0,0|3,0,1]=4 194 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,0,0,0,0|3,0,0]=3 195 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,0,0,0,0,0|3,0,1]=4 196 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,0,0,0,0,0|3,0,1]=4 197 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,0,0,0,0|3,0,0]=3 198 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,0,0,0,0|3,0,0]=3 199 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,0,0,0,0|3,0,0]=3 200 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,0,0,0,0|3,0,0]=3 201 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,0,0,0,0|3,0,0]=3 202 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,0,0,0,0|3,0,0]=3 203 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,0,0,0,0|3,0,0]=3 204 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,0,0,0,0|3,0,0]=3 205 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,0,0,0,0|3,0,0]=3 206 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,0,0,0,0,0|3,0,1]=4 207 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,0,0,0,0,0|4,0,0]=4 208 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,0,0,0,0|3,0,0]=3 209 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,0,0,0,0|3,0,0]=3 210 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,0,0,0,0|3,0,0]=3 211 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,0,0,0,0|3,0,0]=3 212 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,0,0,0,0|3,0,0]=3 213 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,0,0,0,0|3,0,0]=3 214 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,0,0,0,0|3,0,0]=3 215 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,0,0,0,0,0|3,0,1]=4 216 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,0,0,0,0,0|3,0,1]=4 217 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,0,0,0,0,0|4,0,0]=4 218 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,0,0,0,0,0|4,0,0]=4 219 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,0,0,0,0,0|4,0,0]=4 220 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,0,0,0,0,0|4,0,0]=4 221 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,0,0,0,0,0|3,0,0]=3 222 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,0,0,0,0,0|3,0,0]=3 223 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,0,0,0,0,0|3,0,0]=3 224 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,0,0,0,0,0|3,0,0]=3 225 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,0,0,0,0,0|3,0,0]=3 226 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,0,0,0,0,0|3,0,0]=3 227 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,0,0,0,0|3,0,0]=3 228 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,0,0,0,0|3,0,0]=3 229 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,0,0,0,0|3,0,0]=3 230 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,0,0,0,0|3,0,0]=3 231 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,0,0,0,0|3,0,0]=3 232 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,0,0,0,0,0|3,0,1]=4 233 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,0,0,0,0,0|3,0,1]=4 234 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,0,0,0,0,0|3,0,1]=4 235 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,0,0,0,0,0|4,0,0]=4 236 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,0,0,0,0,0|4,0,0]=4 237 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,0,0,0,0,0|4,0,0]=4 238 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,0,0,0,0,0|4,0,0]=4 239 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,0,0,0,0,0|4,0,0]=4 240 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,0,0,0,0,0|4,0,0]=4 241 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,0,0,0,0,0|4,0,0]=4 242 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,0,0,0,0,0|4,0,0]=4 243 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,0,0,0,0,0|4,0,0]=4 244 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,0,0,0,0,0|4,0,0]=4 245 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,0,0,0,0,0|4,0,0]=4 246 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,0,0,0,0|3,0,0]=3 247 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,0,0,0,0|3,0,0]=3 248 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,0,0,0,0|3,0,0]=3 249 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,0,0,0,0|3,0,0]=3 250 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,0,0,0,0|3,0,0]=3 251 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,0,0,0,0|3,0,0]=3 252 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,0,0,0,0|3,0,0]=3 253 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,0,0,0,0,0|3,0,1]=4 254 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,0,0,0,0,0|3,0,1]=4 255 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,0,0,0,0,0|4,0,0]=4 256 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,0,0,0,0,0|4,0,0]=4 257 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,0,0,0,0,0|4,0,0]=4 258 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,0,0,0,0,0|4,0,0]=4 259 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,0,0,0,0,0|4,0,0]=4 260 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,0,0,0,0,0|4,0,0]=4 261 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,0,0,0,0,0|4,0,0]=4 262 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,0,0,0,0,0|4,0,0]=4 263 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,0,0,0,0|4,0,0]=4 264 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,0,0,0,0|3,0,0]=3 265 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,0,0,0,0|4,0,0]=4 266 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,0,0,0,0|4,0,0]=4 267 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,0,0,0,0|3,0,1]=4 268 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,0,0,0,0|3,0,1]=4 269 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,0,0,0,0,0|4,0,0]=4 270 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,0,0,0,0|3,0,0]=3 271 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,0,0,0,0|3,0,0]=3 272 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,0,0,0,0|3,0,0]=3 273 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,0,0,0,0|3,0,0]=3 274 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,0,0,0,0|3,0,0]=3 275 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,0,0,0,0|3,0,0]=3 276 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,0,0,0,0,0|3,0,1]=4 277 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,0,0,0,0,0|3,0,1]=4 278 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,0,0,0,0,0|4,0,0]=4 279 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,0,0,0,0,0|4,0,0]=4 280 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,0,0,0,0,0|4,0,0]=4 281 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,0,0,0,0,0|4,0,0]=4 282 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,0,0,0,0,0|4,0,0]=4 283 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,0,0,0,0,0|4,0,0]=4 284 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,0,0,0,0,0|4,0,0]=4 285 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,0,0,0,0,0|4,0,0]=4 286 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,0,0,0,0,0|4,0,0]=4 287 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,0,0,0,0,0|4,0,0]=4 288 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,0,0,0,0,0|4,0,0]=4 289 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,0,0,0,0,0|4,0,0]=4 290 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,0,0,0,0|4,0,0]=4 291 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,0,0,0,0|3,0,0]=3 292 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,0,0,0,0|4,0,0]=4 293 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,0,0,0,0|4,0,0]=4 294 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,0,0,0,0|4,0,0]=4 295 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,0,0,0,0|3,0,1]=4 296 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,0,0,0,0|3,0,1]=4 297 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,0,0,0,0,0|3,0,1]=4 298 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,0,0,0,0,0|3,0,1]=4 299 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,0,0,0,0,0|3,0,1]=4 300 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,0,0,0,0,0|2,0,1]=3 301 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,0,0,0,0,0|2,0,1]=3 302 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,0,0,0,0,0|3,0,1]=4 303 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,0,0,0,0,0|3,0,1]=4 304 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,0,0,0,0,0|3,0,1]=4 305 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,0,0,0,0,0|3,0,1]=4 306 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,0,0,0,0,0|2,0,1]=3 307 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,0,0,0,0,0|2,0,1]=3 308 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,0,0,0,0,0|3,0,1]=4 309 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,0,0,0,0,0|2,0,1]=3 310 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,0,0,0,0,0|3,0,1]=4 311 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,0,0,0,0,0|3,0,1]=4 312 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,0,0,0,0,0|2,0,2]=4 313 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,0,0,0,0,0|2,0,2]=4 314 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,0,0,0,0|3,0,0]=3 315 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,0,0,0,0|3,0,0]=3 316 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,0,0,0,0|3,0,0]=3 317 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,0,0,0,0|3,0,0]=3 318 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,0,0,0,0,0|2,0,2]=4 319 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,0,0,0,0|3,0,0]=3 320 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,0,0,0,0|3,0,0]=3 321 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,0,0,0,0|2,0,0]=2 322 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,0,0,0,0|2,0,0]=2 323 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,0,0,0,0|2,0,0]=2 324 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,0,0,0,0,0|3,0,0]=3 325 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,0,0,0,0,0|2,0,2]=4 326 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,0,0,0,0,0|2,0,2]=4 327 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,0,0,0,0|3,0,0]=3 328 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,0,0,0,0|3,0,0]=3 329 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,0,0,0,0|2,0,0]=2 330 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,0,0,0,0|2,0,0]=2 331 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,0,0,0,0|3,0,0]=3 332 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,0,0,0,0|2,0,1]=3 333 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,0,0,0,0,0|3,0,1]=4 334 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,0,0,0,0|2,0,0]=2 335 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,0,0,0,0|1,0,0]=1 336 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,0,0,0,0,0|3,0,0]=3 337 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,0,0,0,0|2,0,1]=3 338 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,0,0,0,0|1,0,1]=2 339 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,0,0,0,0,0|2,0,1]=3 340 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,0,0,0,0|2,0,1]=3 341 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,0,0,0,0|2,0,1]=3 342 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,0,0,0,0|1,0,1]=2 343 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,0,0,0,0|1,0,1]=2 344 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,0,0,0,0|1,0,2]=3 345 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,0,0,0,0,0|1,0,3]=4 346 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,0,0,0,0,0|1,0,3]=4 347 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,0,0,0,0,0|3,0,1]=4 348 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,0,0,0,0,0|2,0,1]=3 349 B7R0.4 O=[N+]([O-])COCCBr 34a_100000211926_100000761209 [0,0,0,0,0,0|3,0,1]=4 350 B7R0.4 O=[N+]([O-])CSCCF 62a_100011217306_100000761209 [0,0,0,0,0,0|3,0,1]=4 351 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,0,0,0,0,0|2,0,1]=3 352 B7R0.4 OCCNCC(F)F 2230a_100016997473_100011934356 [0,0,0,0,0,0|3,0,1]=4 353 B7R0.4 OCCNCC(F)F 34a_100000765723_100000211926 [0,0,0,0,0,0|3,0,1]=4 354 B7R0.4 OCCNCC(F)F 34a_100016990907_100011934356 [0,0,0,0,0,0|3,0,1]=4 355 B7R0.4 OCCOCC(F)F 34a_100000743014_100000211926 [0,0,0,0,0,0|3,0,1]=4 356 B7R0.4 OCCSCC(F)F 62a_100000211926_100011934356 [0,0,0,0,0,0|3,0,1]=4 357 B7R0.4 OCCSCC(F)F 62a_100011934356_100000211926 [0,0,0,0,0,0|3,0,1]=4 358 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,0,0,0,0,0|2,0,1]=3 359 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,0,0,0,0|1,0,0]=1 360 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,0,0,0,0,0|4,0,0]=4 361 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,0,0,0,0|2,0,0]=2 362 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,0,0,0,0,0|3,0,1]=4 363 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,0,0,0,0|3,0,0]=3 364 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,0,0,0,0,0|4,0,0]=4 365 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,0,0,0,0,0|3,0,1]=4 366 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,0,0,0,0,0|4,0,0]=4 367 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,0,0,0,0,0|4,0,0]=4 368 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,0,0,0,0|3,0,0]=3 369 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,0,0,0,0|3,0,0]=3 370 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,0,0,0,0,0|4,0,0]=4 371 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,0,0,0,0,0|4,0,0]=4 372 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,0,0,0,0,0|4,0,0]=4 373 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,0,0,0,0,0|4,0,0]=4 374 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,2]=4 375 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,2]=4 376 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,2]=4 377 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 378 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|3,0,0]=4 379 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|3,0,0]=4 380 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 381 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|3,0,0]=4 382 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|3,0,0]=4 384 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|3,0,0]=4 385 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|3,0,0]=4 386 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|3,0,0]=4 387 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|3,0,0]=4 388 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|3,0,0]=4 389 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|3,0,0]=4 390 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|3,0,0]=4 392 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|3,0,0]=4 393 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|3,0,0]=4 394 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|3,0,0]=4 395 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,0,0,0,0,0|3,0,0]=4 396 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,0,0,0,0|3,0,0]=4 397 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,0,0,0,0|3,0,0]=4 398 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,0,0,0,0,0|3,0,0]=4 399 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,0,0,0,0,0|3,0,0]=4 400 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,2]=4 401 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,2]=4 402 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,2]=4 403 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 404 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|1,0,2]=4 405 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|2,0,0]=3 408 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,0]=2 409 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 410 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 411 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,0]=3 412 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,0]=3 413 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|3,0,0]=4 414 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 415 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 416 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|3,0,0]=4 417 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|3,0,0]=4 418 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,0]=3 419 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,0]=3 420 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|3,0,0]=4 421 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|3,0,0]=4 422 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 426 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 427 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 428 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 429 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 430 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,2]=4 431 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,2]=4 432 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,0]=2 433 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,0]=2 434 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,0]=2 435 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 436 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 437 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|3,0,0]=4 438 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|3,0,0]=4 439 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 440 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|3,0,0]=4 441 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 443 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,0]=3 444 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,0]=3 445 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,0]=3 446 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,0]=3 447 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,0]=2 448 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,0,0,0,0|2,0,1]=4 450 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,1]=4 451 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,0,0,0,0|2,0,1]=4 452 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 453 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,0]=3 454 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,0]=3 455 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,0]=3 456 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,0]=3 457 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,1]=3 458 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,0]=3 462 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,0]=3 463 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,0]=3 465 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,1]=3 466 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,1]=3 467 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,0,0,0,0|2,0,1]=4 468 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,0,0,0,0|2,0,1]=4 471 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,0,0,0,0,0|2,0,1]=4 472 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 473 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|3,0,0]=4 475 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 477 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|3,0,0]=4 478 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,0]=3 479 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 480 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 481 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 482 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|3,0,0]=4 487 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 488 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,0]=3 490 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 491 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 492 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 493 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 494 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 495 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,0]=3 496 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|2,0,1]=4 497 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|3,0,0]=4 498 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,0]=3 499 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,0]=3 500 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,0]=3 501 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,0]=3 502 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 503 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 504 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,0]=3 505 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 506 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|3,0,0]=4 508 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|3,0,0]=4 509 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,0,0,0,0|3,0,0]=4 510 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,0,0,0,0|3,0,0]=4 511 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,0]=3 512 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,0,0,0,0,0|2,0,1]=4 513 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,0,0,0,0,0|2,0,1]=4 514 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|1,0,2]=4 515 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 517 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 518 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 519 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 520 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 521 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [1,0,0,0,0,0|2,0,1]=4 524 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [1,0,0,0,0,0|2,0,1]=4 526 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [1,0,0,0,0,0|2,0,1]=4 529 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|3,0,0]=4 530 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|3,0,0]=4 531 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|3,0,0]=4 532 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|3,0,0]=4 533 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|3,0,0]=4 534 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|3,0,0]=4 535 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|3,0,0]=4 536 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|3,0,0]=4 537 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|3,0,0]=4 538 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|3,0,0]=4 540 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|3,0,0]=4 541 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|3,0,0]=4 542 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|3,0,0]=4 543 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|3,0,0]=4 544 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|3,0,0]=4 545 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|3,0,0]=4 546 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|3,0,0]=4 547 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|3,0,0]=4 548 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|3,0,0]=4 549 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,0,0,0,0,0|3,0,0]=4 550 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|3,0,0]=4 551 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|3,0,0]=4 552 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,0,0,0,0,0|3,0,0]=4 553 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,0,0,0,0,0|3,0,0]=4 554 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,0,0,0,0|2,0,1]=4 555 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|3,0,0]=4 556 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,0,0,0,0,0|3,0,0]=4 557 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,0,0,0,0,0|3,0,0]=4 558 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,0,0,0,0,0|2,0,0]=3 559 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,0,0,0,0,0|2,0,0]=3 560 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,0,0,0,0,0|2,0,0]=3 561 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,0,0,0,0,0|2,0,1]=4 562 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,0,0,0,0,0|3,0,0]=4 563 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|3,0,0]=4 564 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|3,0,0]=4 565 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,0,0,0,0,0|3,0,0]=4 566 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,0,0,0,0|3,0,0]=4 567 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,0,0,0,0|2,0,0]=3 568 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,0,0,0,0,0|2,0,1]=4 569 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,0,0,0,0,0|2,0,1]=4 570 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|3,0,0]=4 571 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|3,0,0]=4 572 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,0,0,0,0,0|3,0,0]=4 573 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,0,0,0,0,0|3,0,0]=4 574 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,0,0,0,0,0|2,0,0]=3 575 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,0,0,0,0,0|2,0,0]=3 576 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [1,0,0,0,0,0|3,0,0]=4 577 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|3,0,0]=4 578 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|3,0,0]=4 579 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|3,0,0]=4 580 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|3,0,0]=4 581 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|3,0,0]=4 582 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 583 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|3,0,0]=4 584 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 585 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 586 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 587 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|3,0,0]=4 588 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|3,0,0]=4 589 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|3,0,0]=4 590 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|3,0,0]=4 591 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|2,0,1]=4 592 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|2,0,1]=4 593 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|2,0,0]=3 594 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|2,0,1]=4 595 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|2,0,0]=3 596 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|2,0,0]=3 597 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|2,0,1]=4 598 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|2,0,1]=4 599 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|2,0,1]=4 600 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|2,0,1]=4 603 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|2,0,0]=3 604 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|2,0,0]=3 605 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|3,0,0]=4 606 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|3,0,0]=4 607 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|3,0,0]=4 608 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|2,0,0]=3 609 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|2,0,0]=3 610 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,0]=3 611 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|2,0,0]=3 612 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|2,0,0]=3 613 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|3,0,0]=4 614 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|3,0,0]=4 615 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|3,0,0]=4 616 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|3,0,0]=4 617 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|3,0,0]=4 618 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|3,0,0]=4 619 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|3,0,0]=4 620 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|3,0,0]=4 621 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|2,0,0]=3 622 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [1,0,0,0,0,0|3,0,0]=4 623 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,0,0,0,0|3,0,0]=4 624 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,0,0,0,0|3,0,0]=4 625 B6R0.6 COCSCCO 62a_100000211926_100000766300 [1,0,0,0,0,0|3,0,0]=4 626 B6R0.6 COCSCCO 62a_100000766300_100000211926 [1,0,0,0,0,0|3,0,0]=4 627 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|2,0,0]=3 628 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|2,0,0]=3 629 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|3,0,0]=4 630 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|3,0,0]=4 631 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|2,0,0]=3 632 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|2,0,0]=3 633 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [1,0,0,0,0,0|3,0,0]=4 634 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [1,0,0,0,0,0|3,0,0]=4 635 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|3,0,0]=4 636 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|3,0,0]=4 637 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [1,0,0,0,0,0|3,0,0]=4 638 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [1,0,0,0,0,0|3,0,0]=4 639 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [1,0,0,0,0,0|2,0,1]=4 640 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,0,0,0,0,0|2,0,1]=4 642 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [1,0,0,0,0,0|2,0,1]=4 643 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [1,0,0,0,0,0|2,0,1]=4 644 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,0,0,0,0|2,0,0]=3 645 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,0,0,0,0|2,0,1]=4 646 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,0,0,0,0|2,0,0]=3 647 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,0,0,0,0|1,0,0]=2 648 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,0,0,0,0|1,0,0]=2 649 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,0,0,0,0|2,0,0]=3 650 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,0,0,0,0,0|1,0,2]=4 651 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|2,0,0]=3 652 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|2,0,0]=3 653 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|1,0,0]=2 654 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|1,0,0]=2 655 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,0,0,0,0,0|2,0,1]=4 656 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,0,0,0,0,0|2,0,1]=4 657 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,0,0,0,0,0|2,0,1]=4 658 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,0,0,0,0,0|2,0,1]=4 659 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,0,0,0,0,0|2,0,1]=4 660 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,0,0,0,0,0|1,0,1]=3 661 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,0,0,0,0,0|1,0,1]=3 662 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,0,0,0,0,0|2,0,1]=4 663 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,0,0,0,0,0|2,0,1]=4 664 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,0,0,0,0,0|2,0,1]=4 665 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,0,0,0,0,0|1,0,1]=3 666 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|2,0,0]=3 667 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,0]=3 668 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|3,0,0]=4 669 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|3,0,0]=4 670 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|3,0,0]=4 671 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|3,0,0]=4 672 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|3,0,0]=4 673 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|3,0,0]=4 674 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|3,0,0]=4 675 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|2,0,0]=3 676 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|2,0,0]=3 677 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|3,0,0]=4 678 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|3,0,0]=4 679 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|2,0,0]=3 680 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|2,0,0]=3 681 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.5 C=C(F)CN(C)CCO 2230a_100000210263_100009893438 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.5 C=C(F)CN(C)CCO 269982a_100000210263_100009893438 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,0,0,0,0|2,0,0]=3 699 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,0,0,0,0|2,0,0]=3 700 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,0,0,0,0|1,0,2]=4 701 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,0,0,0,0|1,0,2]=4 713 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,0|2,0,0]=3 714 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,0|2,0,0]=3 715 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,0|3,0,0]=4 720 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,0,0,0,0|3,0,0]=4 722 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,0,0,0,0|3,0,0]=4 723 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,0|2,0,0]=3 724 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,1,0,0,0,0|1,0,2]=4 731 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,0|2,0,0]=3 733 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,0,0,0,0|2,0,0]=3 734 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,0,0,0,0|2,0,0]=3 735 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,0,0,0,0|2,0,0]=3 736 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,0|1,0,0]=2 737 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,0|1,0,0]=2 738 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,1,0,0,0,0|1,0,1]=3 739 B8R0.5 CN(CCO)C[N+](=O)[O-] 269982a_100000210263_100000761209 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,0|2,0,0]=3 741 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,0,0,0,0|1,0,2]=4 744 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,0,0,0,0|1,0,1]=3 748 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,0,0,0,0|1,0,1]=3 749 B8R0.5 O=C(CCO)C[N+](=O)[O-] 1458a_100011216618_100000761209 [0,1,0,0,0,0|1,0,2]=4 750 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,0,0,0,0|0,0,2]=3 751 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,0|1,0,0]=2 752 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,0|2,0,0]=3 753 B8R0.6 C#CC(=O)CC#CCO 1458a_100000211873_200000047223 [0,1,0,0,0,0|1,0,2]=4 754 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,0,0,0,0|2,0,0]=3 757 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,0,0,0,0|2,0,0]=3 758 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,0,0,0,0|1,0,0]=2 759 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,0,0,0,0|3,0,0]=4 760 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,1,0,0,0,0|3,0,0]=4 761 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,0,0,0,0|3,0,0]=4 762 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,0,0,0,0|1,0,1]=3 768 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,1,0,0,0,0|2,0,1]=4 769 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.6 C=C(C#N)CNCCO 2230a_100016997473_100000694840 [0,1,0,0,0,0|3,0,0]=4 778 B8R0.6 C=C(C#N)CNCCO 34a_100016990907_100000694840 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.6 C=C(C#N)CSCCO 62a_100000211926_100000694840 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.6 C=CC(=O)CC#CCO 1458a_100000185746_200000047223 [0,1,0,0,0,0|1,0,2]=4 781 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,0,0,0,0|2,0,0]=3 783 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,0,0,0,0|2,0,0]=3 784 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,0,0,0,0|1,0,0]=2 785 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,0,0,0,0|3,0,0]=4 786 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,1,0,0,0,0|3,0,0]=4 787 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,0,0,0,0|3,0,0]=4 788 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,0,0,0,0|3,0,0]=4 789 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,0,0,0,0|3,0,0]=4 790 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,1,0,0,0,0|3,0,0]=4 791 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,1,0,0,0,0|2,0,0]=3 793 B8R0.6 C=CC(=O)NNCCO 22a_100000210001_100000185746 [0,1,0,0,0,0|3,0,0]=4 794 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,0,0,0,0|1,0,1]=3 803 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,0,0,0,0|2,0,1]=4 804 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,1,0,0,0,0|2,0,1]=4 814 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,0,0,0,0|1,0,2]=4 818 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,0,0,0,0|1,0,2]=4 819 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,0,0,0,0|1,0,2]=4 820 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,0,0,0,0|1,0,0]=2 824 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,0,0,0,0|1,0,0]=2 825 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,0,0,0,0|2,0,0]=3 831 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,0,0,0,0|3,0,0]=4 832 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,0,0,0,0|2,0,0]=3 834 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,0,0,0,0|2,0,0]=3 835 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 836 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,0,0,0,0|3,0,0]=4 839 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,0,0,0,0|2,0,0]=3 840 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,0,0,0,0|3,0,0]=4 842 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,1,0,0,0,0|2,0,1]=4 845 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|2,0,0]=3 848 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|2,0,0]=3 849 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|2,0,0]=3 850 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|1,0,0]=2 851 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|2,0,0]=3 852 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|2,0,0]=3 853 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|2,0,0]=3 854 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|2,0,0]=3 855 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 859 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 860 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,0,0,0,0|3,0,0]=4 861 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,0,0,0,0|2,0,0]=3 865 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,0,0,0,0|2,0,0]=3 866 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,0,0,0,0|3,0,0]=4 873 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,0,0,0,0|3,0,0]=4 874 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,0,0,0,0|3,0,0]=4 875 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,0,0,0,0|3,0,0]=4 876 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,0,0,0,0|3,0,0]=4 877 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,0,0,0,0|3,0,0]=4 878 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,0,0,0,0|3,0,0]=4 880 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,0,0,0,0|3,0,0]=4 881 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,0,0,0,0|3,0,0]=4 882 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,0,0,0,0|3,0,0]=4 883 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,0,0,0,0|2,0,0]=3 884 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,0,0,0,0|3,0,0]=4 885 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,0,0,0,0|3,0,0]=4 886 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,0,0,0,0|3,0,0]=4 888 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,0,0,0,0|3,0,0]=4 889 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,0,0,0,0|3,0,0]=4 890 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,0,0,0,0|3,0,0]=4 891 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,0,0,0,0|3,0,0]=4 892 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,0,0,0,0|3,0,0]=4 893 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,0,0,0,0|3,0,0]=4 894 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,0,0,0,0|2,0,0]=3 895 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,1,0,0,0,0|3,0,0]=4 897 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,1,0,0,0,0|3,0,0]=4 900 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,1,0,0,0,0|3,0,0]=4 901 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,1,0,0,0,0|3,0,0]=4 902 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,0,0,0,0|3,0,0]=4 905 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,0,0,0,0|3,0,0]=4 906 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,0,0,0,0|3,0,0]=4 907 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,0,0,0,0|2,0,0]=3 908 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,1,0,0,0,0|3,0,0]=4 909 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,0,0,0,0|3,0,0]=4 910 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,0,0,0,0|3,0,0]=4 911 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,0,0,0,0|3,0,0]=4 912 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,0,0,0,0|2,0,0]=3 913 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,0,0,0,0|3,0,0]=4 914 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,0,0,0,0|3,0,0]=4 915 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,0,0,0,0|3,0,0]=4 916 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,0,0,0,0|3,0,0]=4 917 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,0,0,0,0|3,0,0]=4 918 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,0,0,0,0|2,0,0]=3 920 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,0,0,0,0|3,0,0]=4 921 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,0,0,0,0|3,0,0]=4 923 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,0,0,0,0|2,0,0]=3 924 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,0,0,0,0|3,0,0]=4 925 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,0,0,0,0|2,0,0]=3 931 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,0,0,0,0|2,0,0]=3 932 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [0,1,0,0,0,0|3,0,0]=4 934 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,0,0,0,0|1,0,0]=2 939 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,0,0,0,0|3,0,0]=4 940 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,0,0,0,0|3,0,0]=4 941 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,0,0,0,0|3,0,0]=4 942 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,0,0,0,0|3,0,0]=4 943 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,0,0,0,0|3,0,0]=4 944 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,0,0,0,0|3,0,0]=4 945 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,0,0,0,0|3,0,0]=4 946 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,0,0,0,0|3,0,0]=4 947 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,0,0,0,0|3,0,0]=4 948 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,0,0,0,0|3,0,0]=4 949 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,0,0,0,0|3,0,0]=4 950 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,0,0,0,0|3,0,0]=4 951 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,0,0,0,0|3,0,0]=4 952 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,0,0,0,0|3,0,0]=4 953 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,0,0,0,0|3,0,0]=4 954 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,0,0,0,0|3,0,0]=4 955 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,1,0,0,0,0|3,0,0]=4 956 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,0,0,0,0|3,0,0]=4 957 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,0,0,0,0|3,0,0]=4 958 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,0,0,0,0|3,0,0]=4 959 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,0,0,0,0|3,0,0]=4 960 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,0,0,0,0|2,0,0]=3 961 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,0,0,0,0|2,0,0]=3 962 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,0,0,0,0|2,0,0]=3 963 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,0,0,0,0|3,0,0]=4 964 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,0,0,0,0|3,0,0]=4 965 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,0,0,0,0|3,0,0]=4 966 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 967 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,0,0,0,0|2,0,0]=3 968 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,0,0,0,0|2,0,0]=3 969 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,0,0,0,0|3,0,0]=4 970 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,0,0,0,0|3,0,0]=4 971 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,0,0,0,0|2,0,0]=3 972 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,0,0,0,0|2,0,0]=3 973 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,0,0,0,0|3,0,0]=4 974 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,0,0,0,0|3,0,0]=4 975 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,0,0,0,0|3,0,0]=4 976 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,0,0,0,0|3,0,0]=4 977 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,0,0,0,0|3,0,0]=4 978 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,0,0,0,0|3,0,0]=4 979 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 980 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,0,0,0,0|2,0,0]=3 981 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,0,0,0,0|2,0,0]=3 983 B8R0.6 CNC(=O)NNCCO 273464a_100102657272_100000210001 [0,1,0,0,0,0|3,0,0]=4 984 B8R0.6 CNC(=O)NNCCO 512a_106832991638_100000210001 [0,1,0,0,0,0|3,0,0]=4 985 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,0,0,0,0|3,0,0]=4 987 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,0,0,0,0|3,0,0]=4 988 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,0,0,0,0|3,0,0]=4 989 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,0,0,0,0|3,0,0]=4 990 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,0,0,0,0|2,0,0]=3 991 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,0,0,0,0|2,0,0]=3 992 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,0,0,0,0|2,0,0]=3 993 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,0,0,0,0|2,0,0]=3 994 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,0,0,0,0|2,0,0]=3 995 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,0,0,0,0|2,0,0]=3 996 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,0,0,0,0|2,0,0]=3 997 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,0,0,0,0|2,0,0]=3 998 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,0,0,0,0|2,0,0]=3 999 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,0,0,0,0|2,0,0]=3 1000 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,0,0,0,0|1,0,0]=2 1001 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,0,0,0,0|1,0,0]=2 1002 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,0,0,0,0|2,0,0]=3 1003 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,0,0,0,0|2,0,0]=3 1004 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,1,0,0,0,0|2,0,1]=4 1005 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,1,0,0,0,0|2,0,1]=4 1006 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,1,0,0,0,0|1,0,2]=4 1007 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,1,0,0,0,0|1,0,2]=4 1008 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,0,0,0,0|2,0,0]=3 1009 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,0,0,0,0|2,0,0]=3 1010 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,0,0,0,0|1,0,0]=2 1011 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,0,0,0,0|1,0,0]=2 1012 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,0,0,0,0|3,0,0]=4 1013 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,0,0,0,0|3,0,0]=4 1014 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,0,0,0,0|3,0,0]=4 1015 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,0,0,0,0|3,0,0]=4 1016 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,1,0,0,0,0|3,0,0]=4 1017 B8R0.6 COC(C)COCCO 34a_100000690652_100000211926 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,0,0,0,0|3,0,0]=4 1021 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,0,0,0,0|2,0,0]=3 1022 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,0,0,0,0|3,0,0]=4 1023 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,0,0,0,0|2,0,0]=3 1024 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,0,0,0,0|3,0,0]=4 1025 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,0,0,0,0|3,0,0]=4 1026 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,0,0,0,0|3,0,0]=4 1027 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,0,0,0,0|3,0,0]=4 1028 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,0,0,0,0|3,0,0]=4 1029 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,0,0,0,0|3,0,0]=4 1030 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,0,0,0,0|3,0,0]=4 1032 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,0,0,0,0|3,0,0]=4 1033 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,0,0,0,0|3,0,0]=4 1034 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,1,0,0,0,0|2,0,1]=4 1035 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,1,0,0,0,0|2,0,1]=4 1036 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [0,1,0,0,0,0|2,0,1]=4 1037 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [0,1,0,0,0,0|2,0,1]=4 1038 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,1,0,0,0,0|2,0,1]=4 1039 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [0,1,0,0,0,0|2,0,1]=4 1040 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,1,0,0,0,0|2,0,1]=4 1042 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,0,0,0,0|1,0,1]=3 1043 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,1,0,0,0,0|2,0,1]=4 1044 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,1,0,0,0,0|2,0,1]=4 1045 B8R0.6 NC(=NO)CCOCF 34a_100000749954_100015361967 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,0,0,0,0|1,0,0]=2 1047 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,1,0,0,0,0|0,0,2]=3 1049 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,0,0,0,0|1,0,0]=2 1050 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,0,0,0,0|0,0,0]=1 1051 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,0,0,0,0|2,0,0]=3 1052 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,0,0,0,0|2,0,0]=3 1053 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,0,0,0,0|1,0,0]=2 1054 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,0,0,0,0|1,0,0]=2 1055 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,1,0,0,0,0|2,0,0]=3 1056 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,1,0,0,0,0|1,0,2]=4 1057 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,1,0,0,0,0|1,0,2]=4 1058 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,1,0,0,0,0|2,0,1]=4 1059 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,1,0,0,0,0|2,0,1]=4 1060 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,1,0,0,0,0|2,0,1]=4 1061 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,1,0,0,0,0|1,0,2]=4 1062 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,1,0,0,0,0|1,0,2]=4 1063 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,1,0,0,0,0|1,0,2]=4 1064 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [0,1,0,0,0,0|1,0,2]=4 1065 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [0,1,0,0,0,0|1,0,2]=4 1066 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [0,1,0,0,0,0|2,0,1]=4 1067 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [0,1,0,0,0,0|2,0,1]=4 1068 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [0,1,0,0,0,0|1,0,2]=4 1069 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [0,1,0,0,0,0|1,0,2]=4 1070 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,0,0,0,0|3,0,0]=4 1071 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,1,0,0,0,0|2,0,0]=3 1072 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,1,0,0,0,0|2,0,0]=3 1073 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,1,0,0,0,0|2,0,0]=3 1074 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,1,0,0,0,0|2,0,1]=4 1076 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,1,0,0,0,0|2,0,1]=4 1077 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,1,0,0,0,0|2,0,1]=4 1078 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,1,0,0,0,0|2,0,1]=4 1079 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,1,0,0,0,0|2,0,1]=4 1080 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,1,0,0,0,0|1,0,1]=3 1081 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,1,0,0,0,0|1,0,2]=4 1082 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,1,0,0,0,0|1,0,2]=4 1085 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,1,0,0,0,0|2,0,1]=4 1086 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,1,0,0,0,0|2,0,1]=4 1087 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,1,0,0,0,0|1,0,2]=4 1088 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,1,0,0,0,0|1,0,2]=4 1089 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,1,0,0,0,0|2,0,1]=4 1090 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,1,0,0,0,0|2,0,1]=4 1092 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,1,0,0,0,0|2,0,1]=4 1093 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,1,0,0,0,0|2,0,1]=4 1094 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,1,0,0,0,0|2,0,1]=4 1095 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,1,0,0,0,0|2,0,1]=4 1096 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,1,0,0,0,0|2,0,1]=4 1097 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,1,0,0,0,0|2,0,1]=4 1098 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,1,0,0,0,0|2,0,1]=4 1099 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,1,0,0,0,0|2,0,1]=4 1100 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,1,0,0,0,0|2,0,1]=4 1101 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,1,0,0,0,0|1,0,2]=4 1102 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,1,0,0,0,0|3,0,0]=4 1103 B8R0.7 C=C(Br)CCOCCF 34a_100009813270_100011217306 [0,1,0,0,0,0|3,0,0]=4 1104 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,1,0,0,0,0|2,0,0]=3 1105 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,1,0,0,0,0|3,0,0]=4 1106 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,1,0,0,0,0|2,0,0]=3 1107 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,1,0,0,0,0|2,0,0]=3 1108 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,1,0,0,0,0|3,0,0]=4 1109 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,1,0,0,0,0|3,0,0]=4 1110 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,1,0,0,0,0|3,0,0]=4 1111 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,1,0,0,0,0|3,0,0]=4 1112 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,1,0,0,0,0|3,0,0]=4 1113 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,1,0,0,0,0|2,0,0]=3 1114 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,1,0,0,0,0|3,0,0]=4 1115 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,1,0,0,0,0|3,0,0]=4 1116 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,1,0,0,0,0|3,0,0]=4 1117 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,1,0,0,0,0|3,0,0]=4 1118 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,1,0,0,0,0|2,0,0]=3 1119 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,1,0,0,0,0|2,0,0]=3 1120 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,1,0,0,0,0|3,0,0]=4 1121 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,1,0,0,0,0|3,0,0]=4 1122 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,1,0,0,0,0|3,0,0]=4 1123 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,1,0,0,0,0|3,0,0]=4 1124 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,1,0,0,0,0|3,0,0]=4 1125 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,1,0,0,0,0|3,0,0]=4 1126 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,1,0,0,0,0|3,0,0]=4 1127 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,1,0,0,0,0|3,0,0]=4 1128 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,1,0,0,0,0|3,0,0]=4 1129 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,1,0,0,0,0|3,0,0]=4 1130 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,1,0,0,0,0|3,0,0]=4 1131 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,1,0,0,0,0|3,0,0]=4 1132 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,1,0,0,0,0|3,0,0]=4 1133 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,1,0,0,0,0|3,0,0]=4 1134 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,1,0,0,0,0|3,0,0]=4 1135 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,1,0,0,0,0|2,0,0]=3 1136 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,1,0,0,0,0|3,0,0]=4 1137 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,1,0,0,0,0|3,0,0]=4 1138 B8R0.7 C=C(C)COCCON 34a_100000700252_100000748629 [0,1,0,0,0,0|3,0,0]=4 1139 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,1,0,0,0,0|3,0,0]=4 1140 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,1,0,0,0,0|3,0,0]=4 1141 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,1,0,0,0,0|3,0,0]=4 1142 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,1,0,0,0,0|3,0,0]=4 1143 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,0,0,0,0|2,0,0]=3 1144 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,0,0,0,0|2,0,0]=3 1145 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,1,0,0,0,0|3,0,0]=4 1146 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,1,0,0,0,0|3,0,0]=4 1147 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,1,0,0,0,0|3,0,0]=4 1148 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,1,0,0,0,0|3,0,0]=4 1149 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [0,1,0,0,0,0|3,0,0]=4 1150 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [0,1,0,0,0,0|3,0,0]=4 1151 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [0,1,0,0,0,0|3,0,0]=4 1153 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,1,0,0,0,0|3,0,0]=4 1154 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,1,0,0,0,0|3,0,0]=4 1155 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,1,0,0,0,0|3,0,0]=4 1156 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [0,1,0,0,0,0|3,0,0]=4 1157 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [0,1,0,0,0,0|3,0,0]=4 1158 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [0,1,0,0,0,0|3,0,0]=4 1159 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,1,0,0,0,0|3,0,0]=4 1160 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,1,0,0,0,0|2,0,0]=3 1161 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [0,1,0,0,0,0|3,0,0]=4 1162 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [0,1,0,0,0,0|3,0,0]=4 1163 B8R0.7 C=C(F)COCCON 34a_100000700252_100009893438 [0,1,0,0,0,0|3,0,0]=4 1164 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,1,0,0,0,0|3,0,0]=4 1165 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,1,0,0,0,0|3,0,0]=4 1166 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [0,1,0,0,0,0|3,0,0]=4 1167 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [0,1,0,0,0,0|3,0,0]=4 1168 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,1,0,0,0,0|2,0,0]=3 1169 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,1,0,0,0,0|2,0,0]=3 1170 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [0,1,0,0,0,0|3,0,0]=4 1171 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [0,1,0,0,0,0|3,0,0]=4 1172 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,0,0,0,0|2,0,0]=3 1173 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,0,0,0,0|2,0,0]=3 1174 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,0,0,0,0|2,0,0]=3 1175 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,1,0,0,0,0|2,0,1]=4 1176 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,1,0,0,0,0|2,0,1]=4 1177 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,1,0,0,0,0|2,0,1]=4 1178 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,1,0,0,0,0|2,0,1]=4 1180 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,1,0,0,0,0|2,0,1]=4 1181 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,0,0,0,0|1,0,1]=3 1182 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,1,0,0,0,0|2,0,1]=4 1183 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,1,0,0,0,0|2,0,1]=4 1184 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,1,0,0,0,0|1,0,2]=4 1185 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,1,0,0,0,0|2,0,1]=4 1186 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,1,0,0,0,0|2,0,1]=4 1187 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,1,0,0,0,0|1,0,2]=4 1188 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,1,0,0,0,0|1,0,2]=4 1189 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,1,0,0,0,0|2,0,1]=4 1190 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,1,0,0,0,0|2,0,1]=4 1191 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,1,0,0,0,0|2,0,1]=4 1192 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,1,0,0,0,0|2,0,1]=4 1193 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,1,0,0,0,0|2,0,1]=4 1194 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,1,0,0,0,0|2,0,1]=4 1195 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,1,0,0,0,0|2,0,1]=4 1196 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,1,0,0,0,0|2,0,1]=4 1197 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,1,0,0,0,0|2,0,1]=4 1198 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,1,0,0,0,0|2,0,1]=4 1199 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,1,0,0,0,0|2,0,1]=4 1200 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,1,0,0,0,0|2,0,1]=4 1201 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,1,0,0,0,0|2,0,1]=4 1202 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,1,0,0,0,0|1,0,2]=4 1203 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [0,1,0,0,0,0|2,0,1]=4 1204 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [0,1,0,0,0,0|2,0,1]=4 1205 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [0,1,0,0,0,0|2,0,1]=4 1207 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [0,1,0,0,0,0|2,0,1]=4 1208 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [0,1,0,0,0,0|2,0,1]=4 1209 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,1,0,0,0,0|2,0,0]=3 1210 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,1,0,0,0,0|2,0,0]=3 1211 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,0,0,0,0|1,0,0]=2 1212 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,0,0,0,0|1,0,0]=2 1213 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,0,0,0,0|1,1,0]=3 1214 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,0,0,0,0|1,1,0]=3 1215 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,1,0,0,0,0|3,0,0]=4 1216 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,1,0,0,0,0|2,0,0]=3 1217 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,1,0,0,0,0|2,0,0]=3 1218 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,1,0,0,0,0|2,0,0]=3 1219 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,1,0,0,0,0|2,0,1]=4 1221 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,1,0,0,0,0|2,0,1]=4 1222 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,1,0,0,0,0|1,0,2]=4 1223 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,1,0,0,0,0|1,0,2]=4 1224 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,1,0,0,0,0|2,0,0]=3 1225 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,1,0,0,0,0|2,0,0]=3 1226 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,1,0,0,0,0|1,0,0]=2 1227 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,1,0,0,0,0|1,0,0]=2 1228 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,1,0,0,0,0|1,0,0]=2 1229 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,1,0,0,0,0|1,0,0]=2 1230 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,1,0,0,0,0|2,0,1]=4 1231 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,1,0,0,0,0|2,0,1]=4 1232 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,0,0,0,0|1,0,2]=4 1233 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,0,0,0,0|1,0,2]=4 1234 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,0,0,0,0|2,0,0]=3 1235 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,0,0,0,0|2,0,0]=3 1236 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,0,0,0,0|1,0,0]=2 1237 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,0,0,0,0|1,0,0]=2 1238 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,1,0,0,0,0|2,0,0]=3 1239 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,0,0,0,0|1,0,0]=2 1240 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,0,0,0,0|1,0,0]=2 1241 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,0,0,0,0|1,0,0]=2 1242 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,1,0,0,0,0|3,0,0]=4 1243 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,1,0,0,0,0|2,0,0]=3 1244 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,1,0,0,0,0|3,0,0]=4 1245 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,1,0,0,0,0|3,0,0]=4 1246 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,1,0,0,0,0|3,0,0]=4 1247 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,0,0,0,0|2,1,0]=4 1248 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,0,0,0,0|2,1,0]=4 1249 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,1,0,0,0,0|3,0,0]=4 1250 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,1,0,0,0,0|3,0,0]=4 1251 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,1,0,0,0,0|3,0,0]=4 1252 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,1,0,0,0,0|2,0,0]=3 1253 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,1,0,0,0,0|3,0,0]=4 1254 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,1,0,0,0,0|3,0,0]=4 1255 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,1,0,0,0,0|3,0,0]=4 1256 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,1,0,0,0,0|3,0,0]=4 1257 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,1,0,0,0,0|2,0,0]=3 1258 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,1,0,0,0,0|2,0,0]=3 1259 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,0,0,0,0|2,1,0]=4 1260 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,0,0,0,0|2,1,0]=4 1261 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [0,1,0,0,0,0|2,0,1]=4 1263 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,1,0,0,0,0|2,0,1]=4 1264 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,1,0,0,0,0|2,0,1]=4 1265 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,0,0,0,0|2,0,1]=4 1266 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,0,0,0,0|2,0,1]=4 1267 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,0,0,0,0|2,0,1]=4 1268 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,0,0,0,0|2,0,1]=4 1269 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,0,0,0,0|2,0,1]=4 1270 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|2,0,1]=4 1271 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|2,0,1]=4 1272 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,0,0,0,0|2,0,1]=4 1273 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,0,0,0,0|2,0,1]=4 1274 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,0,0,0,0|2,0,1]=4 1275 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,0,0,0,0|2,0,1]=4 1276 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|2,0,1]=4 1277 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|2,0,1]=4 1278 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 1279 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,1,0,0,0,0|2,0,1]=4 1280 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,1,0,0,0,0|2,0,1]=4 1283 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,1,0,0,0,0|2,0,1]=4 1284 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [0,1,0,0,0,0|2,0,1]=4 1286 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,1,0,0,0,0|2,0,1]=4 1287 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,1,0,0,0,0|2,0,1]=4 1288 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,1,0,0,0,0|2,0,1]=4 1289 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,1,0,0,0,0|2,0,1]=4 1290 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,1,0,0,0,0|1,0,1]=3 1291 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,1,0,0,0,0|1,0,1]=3 1292 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,1,0,0,0,0|1,0,1]=3 1293 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,1,0,0,0,0|2,0,1]=4 1295 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,1,0,0,0,0|2,0,1]=4 1296 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,1,0,0,0,0|2,0,1]=4 1297 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,1,0,0,0,0|1,0,1]=3 1298 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,1,0,0,0,0|1,0,1]=3 1299 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,1,0,0,0,0|2,0,1]=4 1301 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,1,0,0,0,0|2,0,1]=4 1302 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,1,0,0,0,0|2,0,1]=4 1303 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,1,0,0,0,0|1,0,1]=3 1304 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,1,0,0,0,0|1,0,1]=3 1305 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,1,0,0,0,0|2,0,1]=4 1306 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,1,0,0,0,0|2,0,1]=4 1307 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,1,0,0,0,0|2,0,1]=4 1308 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,1,0,0,0,0|2,0,1]=4 1309 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [0,1,0,0,0,0|2,0,1]=4 1310 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,1,0,0,0,0|2,0,1]=4 1311 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,1,0,0,0,0|2,0,1]=4 1312 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,1,0,0,0,0|1,0,1]=3 1313 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,1,0,0,0,0|1,0,1]=3 1314 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,1,0,0,0,0|2,0,1]=4 1315 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,0,0,0,0|2,0,1]=4 1316 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,0,0,0,0|2,0,1]=4 1317 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,0,0,0,0|2,0,1]=4 1318 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,0,0,0,0|2,0,1]=4 1319 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,0,0,0,0|2,0,0]=3 1320 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,0,0,0,0|2,0,0]=3 1321 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,0,0,0,0|2,0,0]=3 1322 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,0,0,0,0|2,0,0]=3 1323 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,0,0,0,0|2,0,0]=3 1324 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,0,0,0,0|2,0,0]=3 1325 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,0,0,0,0|2,0,0]=3 1326 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,0,0,0,0|2,0,0]=3 1327 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,0,0,0,0|2,0,0]=3 1328 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,0,0,0,0|2,0,0]=3 1329 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,0,0,0,0|1,0,0]=2 1330 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,1,0,0,0,0|2,0,1]=4 1331 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,1,0,0,0,0|2,0,1]=4 1332 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,1,0,0,0,0|2,0,1]=4 1333 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,1,0,0,0,0|2,0,1]=4 1334 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,1,0,0,0,0|2,0,1]=4 1336 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,1,0,0,0,0|3,0,0]=4 1337 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,0,0,0,0|2,0,0]=3 1338 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,0,0,0,0|2,0,0]=3 1339 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,0,0,0,0|2,0,0]=3 1340 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,0,0,0,0|2,0,0]=3 1341 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,0,0,0,0|2,0,0]=3 1342 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,0,0,0,0|2,0,0]=3 1343 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,0,0,0,0|1,0,1]=3 1344 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,1,0,0,0,0|2,0,1]=4 1346 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,1,0,0,0,0|2,0,1]=4 1348 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,1,0,0,0,0|2,0,1]=4 1349 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,0,0,0,0|2,0,0]=3 1350 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,0,0,0,0|2,0,0]=3 1351 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,0,0,0,0|2,0,0]=3 1352 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,0,0,0,0|2,0,0]=3 1353 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,0,0,0,0|1,0,1]=3 1354 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,0,0,0,0|1,0,1]=3 1355 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,0,0,0,0|2,0,1]=4 1357 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,0,0,0,0|2,0,1]=4 1358 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,0,0,0,0|2,0,1]=4 1359 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,1,0,0,0,0|2,0,1]=4 1360 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,1,0,0,0,0|2,0,1]=4 1361 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,0,0,0,0|2,0,0]=3 1362 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,0,0,0,0|2,0,0]=3 1363 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,0,0,0,0|2,0,0]=3 1364 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,0,0,0,0|2,0,0]=3 1365 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,0,0,0,0|2,0,0]=3 1366 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,0,0,0,0|2,0,0]=3 1367 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,0,0,0,0|2,0,0]=3 1368 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,0,0,0,0|2,0,1]=4 1369 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,1,0,0,0,0|3,0,0]=4 1370 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,0,0,0,0|2,0,0]=3 1371 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,0,0,0,0|2,0,0]=3 1372 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,0,0,0,0|2,0,0]=3 1373 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,0,0,0,0|2,0,0]=3 1374 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,0,0,0,0|2,0,1]=4 1375 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,0,0,0,0|2,0,1]=4 1376 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,0,0,0,0|3,0,0]=4 1377 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,0,0,0,0|3,0,0]=4 1378 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,0,0,0,0|2,0,0]=3 1379 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,1,0,0,0,0|2,0,1]=4 1380 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,1,0,0,0,0|3,0,0]=4 1381 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,1,0,0,0,0|3,0,0]=4 1382 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,1,0,0,0,0|3,0,0]=4 1383 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,1,0,0,0,0|3,0,0]=4 1384 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,1,0,0,0,0|3,0,0]=4 1385 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,1,0,0,0,0|2,0,0]=3 1386 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,1,0,0,0,0|2,0,0]=3 1387 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,1,0,0,0,0|2,0,0]=3 1388 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,1,0,0,0,0|2,0,0]=3 1389 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,1,0,0,0,0|2,0,0]=3 1390 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,0,0,0,0|2,0,1]=4 1391 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,1,0,0,0,0|2,0,1]=4 1392 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,1,0,0,0,0|3,0,0]=4 1393 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,1,0,0,0,0|3,0,0]=4 1394 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,1,0,0,0,0|3,0,0]=4 1395 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,1,0,0,0,0|3,0,0]=4 1396 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,1,0,0,0,0|3,0,0]=4 1397 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,1,0,0,0,0|3,0,0]=4 1398 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,1,0,0,0,0|3,0,0]=4 1399 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,1,0,0,0,0|3,0,0]=4 1400 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,1,0,0,0,0|3,0,0]=4 1401 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,0,0,0,0|2,0,0]=3 1402 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,1,0,0,0,0|3,0,0]=4 1403 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,1,0,0,0,0|3,0,0]=4 1404 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,1,0,0,0,0|2,0,1]=4 1405 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,1,0,0,0,0|2,0,1]=4 1406 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,0,0,0,0|2,0,0]=3 1407 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,0,0,0,0|2,0,0]=3 1408 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,0,0,0,0|2,0,0]=3 1409 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,0,0,0,0|2,0,0]=3 1410 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1412 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,1,0,0,0,0|3,0,0]=4 1413 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,1,0,0,0,0|3,0,0]=4 1414 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,1,0,0,0,0|3,0,0]=4 1415 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,1,0,0,0,0|3,0,0]=4 1416 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,1,0,0,0,0|3,0,0]=4 1417 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,1,0,0,0,0|3,0,0]=4 1419 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,1,0,0,0,0|3,0,0]=4 1420 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,1,0,0,0,0|3,0,0]=4 1421 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,1,0,0,0,0|3,0,0]=4 1422 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,1,0,0,0,0|3,0,0]=4 1423 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,1,0,0,0,0|3,0,0]=4 1424 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,1,0,0,0,0|3,0,0]=4 1425 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,1,0,0,0,0|3,0,0]=4 1426 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,1,0,0,0,0|3,0,0]=4 1427 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,1,0,0,0,0|3,0,0]=4 1428 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [0,1,0,0,0,0|3,0,0]=4 1429 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [0,1,0,0,0,0|3,0,0]=4 1430 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [0,1,0,0,0,0|3,0,0]=4 1431 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [0,1,0,0,0,0|3,0,0]=4 1432 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [0,1,0,0,0,0|3,0,0]=4 1433 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,1,0,0,0,0|3,0,0]=4 1434 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,1,0,0,0,0|3,0,0]=4 1435 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [0,1,0,0,0,0|3,0,0]=4 1436 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [0,1,0,0,0,0|3,0,0]=4 1437 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,1,0,0,0,0|2,0,1]=4 1438 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,1,0,0,0,0|2,0,1]=4 1439 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,1,0,0,0,0|2,0,1]=4 1440 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,0,0,0,0|2,0,0]=3 1441 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,0,0,0,0|2,0,0]=3 1442 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,0,0,0,0|2,0,0]=3 1443 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,1,0,0,0,0|3,0,0]=4 1444 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,1,0,0,0,0|3,0,0]=4 1445 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,1,0,0,0,0|3,0,0]=4 1446 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,1,0,0,0,0|3,0,0]=4 1447 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,1,0,0,0,0|3,0,0]=4 1448 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,1,0,0,0,0|3,0,0]=4 1449 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,1,0,0,0,0|3,0,0]=4 1450 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,1,0,0,0,0|3,0,0]=4 1451 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,1,0,0,0,0|3,0,0]=4 1452 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,1,0,0,0,0|1,0,1]=3 1454 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,1,0,0,0,0|1,0,0]=2 1455 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,1,0,0,0,0|1,0,0]=2 1456 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,1,0,0,0,0|1,0,0]=2 1457 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,1,0,0,0,0|1,0,0]=2 1458 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,1,0,0,0,0|2,0,1]=4 1459 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,1,0,0,0,0|2,0,1]=4 1460 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,1,0,0,0,0|2,0,1]=4 1461 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [0,1,0,0,0,0|3,0,0]=4 1462 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [0,1,0,0,0,0|3,0,0]=4 1463 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,1,0,0,0,0|1,0,1]=3 1464 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,1,0,0,0,0|1,0,1]=3 1465 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,1,0,0,0,0|2,0,0]=3 1466 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,1,0,0,0,0|2,0,0]=3 1467 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,1,0,0,0,0|2,0,0]=3 1468 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,1,0,0,0,0|2,0,0]=3 1469 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,1,0,0,0,0|2,0,0]=3 1470 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,1,0,0,0,0|2,1,0]=4 1471 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,1,0,0,0,0|2,0,0]=3 1472 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,0,0,0,0|2,0,0]=3 1473 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,0,0,0,0|2,0,0]=3 1474 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,0,0,0,0|1,0,0]=2 1475 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,1,0,0,0,0|2,0,1]=4 1476 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,1,0,0,0,0|2,0,1]=4 1477 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,1,0,0,0,0|2,0,1]=4 1478 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,1,0,0,0,0|2,0,1]=4 1479 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,1,0,0,0,0|3,0,0]=4 1480 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,1,0,0,0,0|2,0,0]=3 1481 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,1,0,0,0,0|2,0,0]=3 1482 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,1,0,0,0,0|2,0,0]=3 1483 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,1,0,0,0,0|2,0,0]=3 1484 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,1,0,0,0,0|2,0,0]=3 1485 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,1,0,0,0,0|1,0,1]=3 1486 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,1,0,0,0,0|2,0,1]=4 1487 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,1,0,0,0,0|2,0,1]=4 1488 B8R0.7 COCCOC[N+](=O)[O-] 34a_100000210237_100000761209 [0,1,0,0,0,0|2,0,1]=4 1489 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,1,0,0,0,0|2,0,0]=3 1490 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,1,0,0,0,0|2,0,0]=3 1491 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,1,0,0,0,0|1,0,1]=3 1492 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,1,0,0,0,0|1,0,1]=3 1493 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,1,0,0,0,0|2,0,1]=4 1494 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,1,0,0,0,0|2,0,1]=4 1495 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,1,0,0,0,0|2,0,1]=4 1496 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,1,0,0,0,0|2,0,1]=4 1497 B8R0.7 COCCSC[N+](=O)[O-] 62a_100000233755_100000761209 [0,1,0,0,0,0|2,0,1]=4 1498 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,1,0,0,0,0|2,0,1]=4 1499 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,1,0,0,0,0|2,0,0]=3 1500 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,1,0,0,0,0|2,0,0]=3 1501 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,1,0,0,0,0|2,0,0]=3 1502 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,1,0,0,0,0|2,0,0]=3 1503 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,1,0,0,0,0|2,0,0]=3 1504 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,1,0,0,0,0|2,0,1]=4 1505 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,1,0,0,0,0|2,0,1]=4 1506 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,1,0,0,0,0|3,0,0]=4 1507 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,1,0,0,0,0|3,0,0]=4 1508 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,1,0,0,0,0|1,1,1]=4 1509 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,1,0,0,0,0|1,1,1]=4 1510 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,0,0,0,0|1,1,0]=3 1511 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,0,0,0,0|1,1,0]=3 1512 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,0,0,0,0|2,1,0]=4 1513 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,0,0,0,0|2,1,0]=4 1514 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,0,0,0,0|2,1,0]=4 1515 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,0,0,0,0|2,1,0]=4 1516 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,0,0,0,0|2,1,0]=4 1517 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,0,0,0,0|2,1,0]=4 1518 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,0,0,0,0|2,1,0]=4 1519 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,0,0,0,0|2,1,0]=4 1520 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,0,0,0,0|2,1,0]=4 1521 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,0,0,0,0|2,1,0]=4 1522 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,0,0,0,0|1,1,0]=3 1523 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,0,0,0,0|2,1,0]=4 1524 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,1,0,0,0,0|2,1,0]=4 1525 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,1,0,0,0,0|2,1,0]=4 1526 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,1,0,0,0,0|2,1,0]=4 1527 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,1,0,0,0,0|2,1,0]=4 1528 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,1,0,0,0,0|1,1,1]=4 1529 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,0,0,0,0|2,1,0]=4 1530 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,0,0,0,0|2,1,0]=4 1531 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,0,0,0,0|1,1,1]=4 1532 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,0,0,0,0|1,1,1]=4 1533 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,1,0,0,0,0|2,1,0]=4 1534 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,1,0,0,0,0|2,1,0]=4 1535 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,1,0,0,0,0|2,1,0]=4 1536 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,1,0,0,0,0|2,1,0]=4 1537 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,1,0,0,0,0|2,1,0]=4 1538 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,1,0,0,0,0|2,1,0]=4 1539 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,1,0,0,0,0|2,1,0]=4 1540 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,1,0,0,0,0|2,0,1]=4 1541 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|2,0,1]=4 1542 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [0,1,0,0,0,0|2,0,1]=4 1543 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,1,0,0,0,0|2,0,1]=4 1544 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,1,0,0,0,0|2,0,1]=4 1545 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,1,0,0,0,0|2,0,1]=4 1546 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,1,0,0,0,0|2,0,1]=4 1547 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,1,0,0,0,0|2,0,1]=4 1548 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,1,0,0,0,0|2,0,1]=4 1549 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [0,1,0,0,0,0|2,0,1]=4 1550 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,1,0,0,0,0|2,0,1]=4 1551 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,1,0,0,0,0|2,0,1]=4 1552 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,1,0,0,0,0|1,0,1]=3 1553 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,1,0,0,0,0|1,0,1]=3 1554 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,1,0,0,0,0|2,0,1]=4 1555 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,1,0,0,0,0|1,0,1]=3 1556 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,1,0,0,0,0|2,0,1]=4 1557 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,1,0,0,0,0|2,0,1]=4 1558 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,1,0,0,0,0|1,0,2]=4 1559 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,1,0,0,0,0|1,0,2]=4 1560 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,1,0,0,0,0|2,0,1]=4 1561 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,1,0,0,0,0|2,0,1]=4 1562 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,1,0,0,0,0|2,0,1]=4 1563 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,1,0,0,0,0|2,0,1]=4 1564 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,1,0,0,0,0|2,0,1]=4 1565 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,1,0,0,0,0|2,0,0]=3 1566 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,1,0,0,0,0|2,0,0]=3 1567 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,1,0,0,0,0|2,0,0]=3 1568 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,1,0,0,0,0|2,0,0]=3 1569 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,1,0,0,0,0|1,0,0]=2 1570 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,1,0,0,0,0|1,0,0]=2 1571 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,1,0,0,0,0|1,0,2]=4 1572 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,1,0,0,0,0|1,0,2]=4 1573 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,1,0,0,0,0|2,0,0]=3 1574 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,1,0,0,0,0|2,0,0]=3 1575 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,1,0,0,0,0|2,0,0]=3 1576 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,1,0,0,0,0|1,0,0]=2 1577 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,1,0,0,0,0|1,0,0]=2 1578 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,1,0,0,0,0|1,0,2]=4 1579 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,1,0,0,0,0|1,0,2]=4 1580 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,0,0,0,0|2,0,0]=3 1581 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,0,0,0,0|2,0,0]=3 1582 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,0,0,0,0|1,0,0]=2 1583 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,0,0,0,0|1,0,0]=2 1584 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,0,0,0,0|2,0,0]=3 1585 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,0,0,0,0|2,0,0]=3 1586 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,0,0,0,0|2,0,0]=3 1587 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,0,0,0,0|1,0,0]=2 1588 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,1,0,0,0,0|2,0,0]=3 1589 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,1,0,0,0,0|2,0,0]=3 1590 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,1,0,0,0,0|2,0,0]=3 1591 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,0,0,0,0|2,0,0]=3 1592 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,0,0,0,0|2,0,0]=3 1593 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,0,0,0,0|1,0,0]=2 1594 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,0,0,0,0|1,0,0]=2 1595 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,1,0,0,0,0|3,0,0]=4 1596 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,1,0,0,0,0|3,0,0]=4 1597 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,1,0,0,0,0|3,0,0]=4 1598 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,1,0,0,0,0|3,0,0]=4 1599 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,1,0,0,0,0|3,0,0]=4 1600 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,1,0,0,0,0|3,0,0]=4 1601 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,1,0,0,0,0|3,0,0]=4 1602 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,0,0,0,0|2,0,0]=3 1603 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,0,0,0,0|1,0,1]=3 1604 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,1,0,0,0,0|2,0,1]=4 1605 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,1,0,0,0,0|2,0,0]=3 1606 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,1,0,0,0,0|2,0,0]=3 1607 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,1,0,0,0,0|1,0,1]=3 1608 B8R0.7 NOCCOC[N+](=O)[O-] 34a_100000700252_100000761209 [0,1,0,0,0,0|2,0,1]=4 1609 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,0,0,0,0|1,0,0]=2 1610 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,0,0,0,0|0,0,0]=1 1611 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,1,0,0,0,0|2,0,0]=3 1612 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,1,0,0,0,0|1,0,0]=2 1613 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,0,0,0,0|1,0,1]=3 1614 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,1,0,0,0,0|1,0,1]=3 1615 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,1,0,0,0,0|1,0,1]=3 1616 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,1,0,0,0,0|1,0,1]=3 1617 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,0,0,0,0|1,0,1]=3 1618 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,0,0,0,0|1,0,1]=3 1619 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,0,0,0,0|0,0,1]=2 1620 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,0,0,0,0|0,0,1]=2 1621 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,1,0,0,0,0|1,0,2]=4 1622 B8R0.7 O=[N+]([O-])CCCOCF 34a_200000037920_100015361967 [0,1,0,0,0,0|2,0,1]=4 1623 B8R0.7 O=[N+]([O-])CNCCCF 34a_100015189416_100000761209 [0,1,0,0,0,0|2,0,1]=4 1624 B8R0.7 O=[N+]([O-])COCCCBr 34a_100011217188_100000761209 [0,1,0,0,0,0|2,0,1]=4 1625 B8R0.7 O=[N+]([O-])COCCCCl 34a_100000230001_100000761209 [0,1,0,0,0,0|2,0,1]=4 1626 B8R0.7 O=[N+]([O-])COCCCF 34a_100000759539_100000761209 [0,1,0,0,0,0|2,0,1]=4 1627 B8R0.7 O=[N+]([O-])CSCCCF 62a_100011934791_100000761209 [0,1,0,0,0,0|2,0,1]=4 1628 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,1,0,0,0,0|1,0,1]=3 1629 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [0,1,0,0,0,0|2,0,1]=4 1630 B8R0.7 OCCCOCC(F)F 34a_100000743014_100000230001 [0,1,0,0,0,0|2,0,1]=4 1631 B8R0.7 OCCCSCC(F)F 62a_100011215043_100011934356 [0,1,0,0,0,0|2,0,1]=4 1632 B8R0.7 OCCCSCC(F)F 62a_100011934356_100011215043 [0,1,0,0,0,0|2,0,1]=4 1633 B8R0.7 OCCOCCC(F)F 34a_100103093639_100000211926 [0,1,0,0,0,0|2,0,1]=4 1634 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,0,0,0,0|1,0,0]=2 1635 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,1,0,0,0,0|3,0,0]=4 1636 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,1,0,0,0,0|1,0,0]=2 1637 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,0,0,0,0|2,0,0]=3 1638 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,0,0,0,0|2,0,0]=3 1639 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,1,0,0,0,0|1,0,0]=2 1640 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,1,0,0,0,0|1,0,0]=2 1641 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,1,0,0,0,0|1,0,1]=3 1642 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,1,0,0,0,0|1,0,1]=3 1643 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,1,0,0,0,0|1,1,1]=4 1644 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,1,0,0,0,0|1,1,1]=4 1645 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,1,0,0,0,0|2,1,0]=4 1646 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,1,0,0,0,0|2,1,0]=4 1647 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,1,0,0,0,0|2,0,1]=4 1648 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|2,0,1]=4 1649 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,1,0,0,0,0|3,0,0]=4 1650 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,1,0,0,0,0|2,0,1]=4 1651 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,0,0,0,0|3,0,0]=4 1652 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,0,0,0,0|3,0,0]=4 1653 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,0,0,0,0|2,0,0]=3 1654 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,0,0,0,0|3,0,0]=4 1655 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,0,0,0,0|2,0,0]=3 1656 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,0,0,0,0|3,0,0]=4 1657 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,0,0,0,0|3,0,0]=4 1658 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,0,0,0,0|2,0,0]=3 1659 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,0,0,0,0|2,0,0]=3 1660 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,1,0,0,0,0|2,0,0]=3 1661 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,1,0,0,0,0|2,0,0]=3 1662 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,1,0,0,0,0|2,0,0]=3 1663 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,1,0,0,0,0|3,0,0]=4 1664 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,1,0,0,0,0|2,0,0]=3 1665 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,1,0,0,0,0|2,0,0]=3 1666 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,1,0,0,0,0|3,0,0]=4 1667 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,0,0,0,0|3,0,0]=4 1668 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,1,0,0,0,0|3,0,0]=4 1669 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,1,0,0,0,0|3,0,0]=4 1670 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,1,0,0,0,0|2,0,0]=3 1671 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,1,0,0,0,0|2,0,0]=3 1672 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|2,0,0]=3 1673 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|2,0,0]=3 1674 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|2,0,0]=3 1675 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|2,0,0]=3 1676 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|2,0,0]=3 1677 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 1678 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 1679 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|3,0,0]=4 1680 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|3,0,0]=4 1681 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,0,0,0,0|2,0,0]=3 1682 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,0,0,0,0|3,0,0]=4 1683 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,0,0,0,0|3,0,0]=4 1684 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,0,0,0,0|3,0,0]=4 1685 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,0,0,0,0|3,0,0]=4 1686 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,0,0,0,0|3,0,0]=4 1687 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,0,0,0,0|2,0,1]=4 1688 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,0,0,0,0|2,0,1]=4 1689 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,0,0,0,0|3,0,0]=4 1690 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,0,0,0,0|3,0,0]=4 1691 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,0,0,0,0|3,0,0]=4 1692 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,0,0,0,0|3,0,0]=4 1693 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,0,0,0,0|3,0,0]=4 1694 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,0,0,0,0|3,0,0]=4 1695 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,0,0,0,0|3,0,0]=4 1696 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,0,0,0,0|3,0,0]=4 1697 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,0,0,0,0|2,0,1]=4 1698 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,0,0,0,0|2,0,1]=4 1699 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,0,0,0,0|2,0,0]=3 1700 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,0,0,0,0|2,0,0]=3 1701 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,0,0,0,0|3,0,0]=4 1702 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,0,0,0,0|3,0,0]=4 1703 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|3,0,0]=4 1704 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,1,0,0,0,0|3,0,0]=4 1705 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|3,0,0]=4 1706 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|3,0,0]=4 1707 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,1,0,0,0,0|3,0,0]=4 1708 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,1,0,0,0,0|3,0,0]=4 1709 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,1,0,0,0,0|3,0,0]=4 1710 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,1,0,0,0,0|2,0,0]=3 1711 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,1,0,0,0,0|2,0,0]=3 1712 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|1,0,2]=4 1713 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,1,0,0,0,0|3,0,0]=4 1714 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,1,0,0,0,0|3,0,0]=4 1715 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,0,0,0,0|2,0,0]=3 1716 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,0,0,0,0|2,0,0]=3 1717 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,1,0,0,0,0|2,0,1]=4 1718 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,1,0,0,0,0|1,0,2]=4 1719 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,1,0,0,0,0|2,0,0]=3 1720 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,1,0,0,0,0|1,0,0]=2 1721 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|1,0,2]=4 1722 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,1,0,0,0,0|2,0,1]=4 1723 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,1,0,0,0,0|1,0,1]=3 1724 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,1,0,0,0,0|2,0,1]=4 1725 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,1,0,0,0,0|3,0,0]=4 1726 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,1,0,0,0,0|2,0,0]=3 1727 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,1,0,0,0,0|2,0,0]=3 1728 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,1,0,0,0,0|3,0,0]=4 1729 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,1,0,0,0,0|3,0,0]=4 1730 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,1,0,0,0,0|3,0,0]=4 1731 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,1,0,0,0,0|2,0,0]=3 1732 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,1,0,0,0,0|2,0,0]=3 1733 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,1,0,0,0,0|3,0,0]=4 1734 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,1,0,0,0,0|3,0,0]=4 1735 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,1,0,0,0,0|2,0,1]=4 1736 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,1,0,0,0,0|0,0,3]=4 1737 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,1,0,0,0,0|2,0,0]=3 1738 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,1,0,0,0,0|2,0,1]=4 1739 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,1,0,0,0,0|1,0,1]=3 1740 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,1,0,0,0,0|2,0,1]=4 1741 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,1,0,0,0,0|2,0,1]=4 1742 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,1,0,0,0,0|2,0,1]=4 1743 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,1,0,0,0,0|1,0,1]=3 1744 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,1,0,0,0,0|1,0,1]=3 1745 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,1,0,0,0,0|2,0,1]=4 1746 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|2,0,1]=4 1747 B8R0.9 C=C(C)CN[C@H](C)CO 2230a_100000737577_100000748629 [0,1,0,0,0,0|3,0,0]=4 1748 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,1,0,0,0,0|3,0,0]=4 1749 B8R0.9 C=C(C)CSC(C)CO 62a_100012180447_100000211660 [0,1,0,0,0,0|3,0,0]=4 1750 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100000748629_100016084084 [0,1,0,0,0,0|3,0,0]=4 1751 B8R0.9 C=C(C)CS[C@H](C)CO 62a_100016084084_100000211660 [0,1,0,0,0,0|3,0,0]=4 1752 B8R0.9 C=C(F)CN[C@H](C)CO 2230a_100000737577_100009893438 [0,1,0,0,0,0|3,0,0]=4 1753 B8R0.9 C=C(F)COC(C)CO 34a_200010262243_100012180447 [0,1,0,0,0,0|3,0,0]=4 1754 B8R0.9 C=C(F)CSC(C)CO 62a_100012180447_100000042424 [0,1,0,0,0,0|3,0,0]=4 1755 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100000042424_100016084084 [0,1,0,0,0,0|3,0,0]=4 1756 B8R0.9 C=C(F)CS[C@H](C)CO 62a_100016084084_100000042424 [0,1,0,0,0,0|3,0,0]=4 1757 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,0,0,0,0|2,0,1]=4 1758 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,0|2,0,0]=3 1759 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,0|2,0,0]=3 1760 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,0|2,0,0]=3 1761 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,0,0,0,0|2,0,0]=3 1762 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,0,0,0,0|2,0,0]=3 1763 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,0,0,0,0|2,0,0]=3 1764 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,0,0,0,0|2,0,0]=3 1765 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,1,0,0,0,0|2,0,1]=4 1766 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,0,0,0,0|3,0,0]=4 1767 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,0,0,0,0|3,0,0]=4 1768 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,0,0,0,0|2,0,1]=4 1769 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|3,0,0]=4 1770 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|2,0,1]=4 1771 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,0,0,0,0|2,0,0]=3 1772 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,0,0,0,0|2,0,0]=3 1773 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,0,0,0,0|1,0,1]=3 1774 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,1,0,0,0,0|2,0,1]=4 1775 B8R0.9 CC(CO)SC[N+](=O)[O-] 62a_100012180447_100000761209 [0,1,0,0,0,0|2,0,1]=4 1776 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|1,0,2]=4 1777 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,1,0,0,0,0|2,0,1]=4 1778 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,1,0,0,0,0|2,0,1]=4 1779 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,1,0,0,0,0|2,0,1]=4 1780 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,1,0,0,0,0|2,0,1]=4 1781 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,1,0,0,0,0|2,0,1]=4 1782 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,1,0,0,0,0|2,0,1]=4 1783 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|2,0,1]=4 1784 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|2,0,0]=3 1785 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|2,0,0]=3 1786 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,0,0,0,0|3,0,0]=4 1787 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,0,0,0,0|3,0,0]=4 1788 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,0,0,0,0|3,0,0]=4 1789 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,0,0,0,0|3,0,0]=4 1790 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,0,0,0,0|3,0,0]=4 1791 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,0,0,0,0|3,0,0]=4 1792 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,0|2,0,0]=3 1793 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,0|3,0,0]=4 1794 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,0,0,0,0|3,0,0]=4 1795 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,0|3,0,0]=4 1796 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,0|3,0,0]=4 1797 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,0|2,0,1]=4 1798 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,0|2,0,1]=4 1799 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,0,0,0,0|3,0,0]=4 1800 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,0,0,0,0|3,0,0]=4 1801 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,0,0,0,0|3,0,0]=4 1802 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,0|3,0,0]=4 1803 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,0|3,0,0]=4 1804 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,0,0,0,0|3,0,0]=4 1805 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,0,0,0,0|3,0,0]=4 1806 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,0,0,0,0|3,0,0]=4 1807 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,0,0,0,0|3,0,0]=4 1808 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,0|3,0,0]=4 1809 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,0,0,0,0|3,0,0]=4 1810 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|3,0,0]=4 1811 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|3,0,0]=4 1812 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,0|3,0,0]=4 1813 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,0,0,0,0|2,0,0]=3 1814 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,0|1,0,0]=2 1815 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,1,0,0,0,0|2,0,1]=4 1816 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,0,0,0,0|2,0,0]=3 1817 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,0,0,0,0|2,0,0]=3 1818 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,0,0,0,0|1,0,1]=3 1819 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,0,0,0,0|1,0,1]=3 1820 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,1,0,0,0,0|2,0,1]=4 1821 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,1,0,0,0,0|2,0,1]=4 1822 B8R0.9 C[C@H](CO)SC[N+](=O)[O-] 62a_100016084084_100000761209 [0,1,0,0,0,0|2,0,1]=4 1823 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,1,0,0,0,0|2,0,1]=4 1824 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,1,0,0,0,0|2,0,1]=4 1825 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,1,0,0,0,0|2,0,1]=4 1826 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [0,1,0,0,0,0|2,0,1]=4 1827 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [0,1,0,0,0,0|2,0,1]=4 1828 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [0,1,0,0,0,0|2,0,1]=4 1829 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [0,1,0,0,0,0|2,0,1]=4 1830 B8R0.21 CS(=O)(=O)NCCCO 40a_100000182051_100000738038 [0,1,0,0,0,0|2,0,1]=4 1831 B8R0.21 NS(=O)(=O)CSCCO 62a_100000211926_100000741382 [0,1,0,0,0,0|2,0,1]=4 1832 B8R0.21 NS(=O)(=O)CSCCO 62a_100000741382_100000211926 [0,1,0,0,0,0|2,0,1]=4 1833 B8R0.21 O=S(=O)([O-])CNCCO 34a_100016990907_100009817235 [0,1,0,0,0,0|2,0,1]=4 1834 B8R0.21 O=S(=O)([O-])CSCCO 62a_100000211926_100009817235 [0,1,0,0,0,0|2,0,1]=4 1835 B8R0.21 O=S(=O)([O-])CSCCO 62a_100009817235_100000211926 [0,1,0,0,0,0|2,0,1]=4 1836 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,1,0,0,0,0|2,0,1]=4 1837 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,1,0,0,0,0|3,0,0]=4 1838 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,1,0,0,0,0|3,0,0]=4 1839 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,1,0,0,0,0|3,0,0]=4 1840 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,1,0,0,0,0|3,0,0]=4 1841 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,1,0,0,0,0|3,0,0]=4 1842 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,1,0,0,0,0|3,0,0]=4 1843 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,1,0,0,0,0|3,0,0]=4 1844 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,1,0,0,0,0|3,0,0]=4 1845 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,1,0,0,0,0|2,0,1]=4 1846 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,1,0,0,0,0|3,0,0]=4 1847 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,1,0,0,0,0|3,0,0]=4 1848 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [0,1,0,0,0,0|3,0,0]=4 1849 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [0,1,0,0,0,0|3,0,0]=4 1850 B8R0.28 C=C(F)CSCC(C)O 62a_100000042424_100011218427 [0,1,0,0,0,0|3,0,0]=4 1851 B8R0.28 C=C(F)CSCC(C)O 62a_100011218427_100000042424 [0,1,0,0,0,0|3,0,0]=4 1852 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100000042424_100009817552 [0,1,0,0,0,0|3,0,0]=4 1853 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100009817552_100000042424 [0,1,0,0,0,0|3,0,0]=4 1854 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,1,0,0,0,0|1,0,2]=4 1855 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,0,0,0,0|1,0,2]=4 1856 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,0,0,0,0|2,0,0]=3 1857 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,0,0,0,0|2,0,0]=3 1858 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,0,0,0,0|1,0,0]=2 1859 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,1,0,0,0,0|3,0,0]=4 1860 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,1,0,0,0,0|3,0,0]=4 1861 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,1,0,0,0,0|2,0,1]=4 1862 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,1,0,0,0,0|3,0,0]=4 1863 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,1,0,0,0,0|3,0,0]=4 1864 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,1,0,0,0,0|3,0,0]=4 1865 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,0,0,0,0|3,0,0]=4 1866 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,0,0,0,0|3,0,0]=4 1867 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,0,0,0,0|3,0,0]=4 1868 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,0,0,0,0|3,0,0]=4 1869 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,0,0,0,0|3,0,0]=4 1870 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,0,0,0,0|2,0,0]=3 1871 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,1,0,0,0,0|3,0,0]=4 1872 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,0,0,0,0|2,0,0]=3 1873 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,0,0,0,0|3,0,0]=4 1874 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,0,0,0,0|3,0,0]=4 1875 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,0,0,0,0|3,0,0]=4 1876 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,0,0,0,0|3,0,0]=4 1877 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,0,0,0,0|2,0,0]=3 1878 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,0,0,0,0|2,0,0]=3 1879 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,1,0,0,0,0|3,0,0]=4 1880 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,0,0,0,0|3,0,0]=4 1881 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,0,0,0,0|2,0,1]=4 1882 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,0,0,0,0|2,0,0]=3 1883 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,0,0,0,0|3,0,0]=4 1884 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,0,0,0,0|3,0,0]=4 1885 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,0,0,0,0|3,0,0]=4 1886 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,0,0,0,0|2,0,0]=3 1887 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,0,0,0,0|2,0,1]=4 1888 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,0,0,0,0|3,0,0]=4 1889 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,0,0,0,0|3,0,0]=4 1890 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,0,0,0,0|2,0,1]=4 1891 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,0,0,0,0|3,0,0]=4 1892 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,0,0,0,0|3,0,0]=4 1893 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,0,0,0,0|2,0,1]=4 1894 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,0,0,0,0|2,0,1]=4 1895 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,0,0,0,0|3,0,0]=4 1896 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,0,0,0,0|3,0,0]=4 1897 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,1,0,0,0,0|3,0,0]=4 1898 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,1,0,0,0,0|3,0,0]=4 1899 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,1,0,0,0,0|3,0,0]=4 1900 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,1,0,0,0,0|3,0,0]=4 1901 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,0,0,0,0|3,0,0]=4 1902 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,0,0,0,0|3,0,0]=4 1903 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,0,0,0,0|3,0,0]=4 1904 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,0,0,0,0|2,0,1]=4 1905 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,1,0,0,0,0|3,0,0]=4 1906 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,1,0,0,0,0|3,0,0]=4 1907 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,0,0,0,0|2,0,0]=3 1908 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,0,0,0,0|2,0,0]=3 1909 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|2,0,0]=3 1910 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,0,0,0,0|1,0,0]=2 1911 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|1,0,1]=3 1912 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,1,0,0,0,0|2,0,1]=4 1913 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,1,0,0,0,0|2,0,1]=4 1914 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,1,0,0,0,0|2,0,1]=4 1915 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,1,0,0,0,0|2,0,1]=4 1916 B8R0.28 CC(O)CNC[N+](=O)[O-] 34a_100000210904_100000761209 [0,1,0,0,0,0|2,0,1]=4 1917 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,0,0,0,0|2,0,0]=3 1918 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,0,0,0,0|2,0,0]=3 1919 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,0,0,0,0|1,0,1]=3 1920 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,0,0,0,0|1,0,1]=3 1921 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,1,0,0,0,0|2,0,1]=4 1922 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,1,0,0,0,0|2,0,1]=4 1923 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,1,0,0,0,0|2,0,1]=4 1924 B8R0.28 CC(O)CSC[N+](=O)[O-] 62a_100011218427_100000761209 [0,1,0,0,0,0|2,0,1]=4 1925 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,1,0,0,0,0|3,0,0]=4 1926 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,0,0,0,0|2,0,0]=3 1927 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,0,0,0,0|2,0,0]=3 1928 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,0,0,0,0|3,0,0]=4 1929 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,0,0,0,0|2,0,1]=4 1930 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,0,0,0,0|3,0,0]=4 1931 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,0,0,0,0|2,0,1]=4 1932 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,0,0,0,0|2,0,0]=3 1933 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,0,0,0,0|1,0,0]=2 1934 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,0,0,0,0|2,0,0]=3 1935 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,0,0,0,0|2,0,0]=3 1936 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,0,0,0,0|1,0,1]=3 1937 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,0,0,0,0|1,0,1]=3 1938 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,1,0,0,0,0|2,0,1]=4 1939 B8R0.28 C[C@@H](O)CSC[N+](=O)[O-] 62a_100009817552_100000761209 [0,1,0,0,0,0|2,0,1]=4 1940 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,1,0,0,0,0|1,0,2]=4 1941 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,1,0,0,0,0|3,0,0]=4 1942 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,1,0,0,0,0|3,0,0]=4 1943 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,1,0,0,0,0|3,0,0]=4 1944 B8R0.28 NC(=O)CSCC(F)F 62a_100000747473_100011934356 [0,1,0,0,0,0|3,0,0]=4 1945 B8R0.28 NC(=O)CSCC(F)F 62a_100011934356_100000747473 [0,1,0,0,0,0|3,0,0]=4 1946 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,1,0,0,0,0|2,0,0]=3 1947 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,1,0,0,0,0|2,0,1]=4 1948 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,1,0,0,0,0|1,0,2]=4 1949 B8R0.28 O=C([O-])CNCC(F)F 34a_100000765723_100020667443 [0,1,0,0,0,0|2,0,1]=4 1950 B8R0.28 O=C([O-])COCC(F)F 34a_100000743014_100020667443 [0,1,0,0,0,0|2,0,1]=4 1951 B8R0.28 O=C([O-])CSCC(F)F 62a_100011934356_100020667443 [0,1,0,0,0,0|2,0,1]=4 1952 B8R0.28 O=C([O-])CSCC(F)F 62a_100020667443_100011934356 [0,1,0,0,0,0|2,0,1]=4 1953 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,1,0,0,0,0|2,0,1]=4 1954 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 1955 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 1956 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,0,0,1,0,0|3,0,0]=4 1957 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,0|3,0,0]=4 1958 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,0|3,0,0]=4 1959 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,0|3,0,0]=4 1960 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,0|3,0,0]=4 1961 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 1962 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 1963 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,0,0,1,0,0|3,0,0]=4 1964 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,0|3,0,0]=4 1965 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,0|3,0,0]=4 1966 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,0,0,1,0,0|3,0,0]=4 1967 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,0,0,1,0,0|3,0,0]=4 1968 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,0,0,1,0,0|3,0,0]=4 1969 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,0,0,1,0,0|3,0,0]=4 1970 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,0,0,1,0,0|3,0,0]=4 1971 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,0,0,1,0,0|3,0,0]=4 1972 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,0,0,1,0,0|3,0,0]=4 1973 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,0,0,1,0,0|3,0,0]=4 1974 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,0,0,1,0,0|3,0,0]=4 1975 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,0,0,1,0,0|3,0,0]=4 1976 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,0,0,1,0,0|3,0,0]=4 1977 B8R1.6 OCCN1CC(C1)O 269982a_100000749847_100000211926 [0,0,0,1,0,0|2,0,1]=4 1978 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,0,0,1,0,0|3,0,0]=4 1979 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,0,0,1,0,0|3,0,0]=4 1980 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,0,0,1,0,0|3,0,0]=4 1981 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,1,0,0|2,0,1]=4 1982 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|2,0,0]=3 1983 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|2,0,0]=3 1984 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,0,0|1,1,0]=3 1985 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,1,0,0|3,0,0]=4 1986 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,1,0,0|3,0,0]=4 1987 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,1,0,0|3,0,0]=4 1988 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,1,0,0|3,0,0]=4 1989 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,0,0|1,0,0]=2 1990 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,1,0,0|2,0,1]=4 1991 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|2,0,0]=3 1992 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,0,0|1,1,0]=3 1993 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,1,0,0|3,0,0]=4 1994 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,0,0|1,0,0]=2 1995 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,0|3,0,0]=4 1996 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,0|3,0,0]=4 1997 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 1998 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 1999 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,0|3,0,0]=4 2000 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,0|3,0,0]=4 2001 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,0|1,0,2]=4 2002 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,0|3,0,0]=4 2003 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,0|3,0,0]=4 2004 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,0|3,0,0]=4 2005 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|2,0,0]=3 2006 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|2,0,0]=3 2007 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,1,0,0|2,0,0]=3 2008 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,1,0,0|2,0,0]=3 2009 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,1,0,0|1,0,0]=2 2010 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,0,1,0,0|3,0,0]=4 2011 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,0,1,0,0|3,0,0]=4 2012 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,1,0,0|3,0,0]=4 2013 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,1,0,0|3,0,0]=4 2014 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,1,0,0|3,0,0]=4 2015 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,1,0,0|3,0,0]=4 2016 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [0,0,0,1,0,0|3,0,0]=4 2017 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [0,0,0,1,0,0|3,0,0]=4 2018 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,0,1,0,0|3,0,0]=4 2019 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,0,1,0,0|2,0,1]=4 2020 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,1,0,0|2,0,0]=3 2021 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,0,1,0,0|3,0,0]=4 2022 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,0|2,0,0]=3 2023 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,0|2,0,0]=3 2024 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,0,1,0,0|1,0,0]=2 2025 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,0|3,0,0]=4 2026 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,1,0,0|3,0,0]=4 2027 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,1,0,0|3,0,0]=4 2028 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,1,0,0|3,0,0]=4 2029 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,1,0,0|3,0,0]=4 2030 B8R1.35 CN(C)CCC1CO1 2230a_100102631434_100000732470 [0,0,0,1,0,0|3,0,0]=4 2031 B8R1.35 CN(C)CCC1CO1 269982a_100102631434_100000732470 [0,0,0,1,0,0|3,0,0]=4 2032 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,0,1,0,0|3,0,0]=4 2033 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,0,1,0,0|3,0,0]=4 2034 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,0|2,0,0]=3 2035 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,0,1,0,0|2,0,1]=4 2036 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,0,1,0,0|2,0,1]=4 2037 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,0|2,0,0]=3 2038 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [0,0,0,1,0,0|2,0,1]=4 2039 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [0,0,0,1,0,0|2,0,1]=4 2040 B8R1.36 OCCOC[C@@H]1CO1 34a_100000757423_100000211926 [0,0,0,1,0,0|2,0,1]=4 2041 B8R1.36 OCCSCC1CO1 62a_100000211926_102125554688 [0,0,0,1,0,0|2,0,1]=4 2042 B8R1.36 OCCSCC1CO1 62a_102125554688_100000211926 [0,0,0,1,0,0|2,0,1]=4 2043 B8R1.36 OCCSC[C@@H]1CO1 62a_100000211926_100000745022 [0,0,0,1,0,0|2,0,1]=4 2044 B8R1.36 OCCSC[C@@H]1CO1 62a_100000745022_100000211926 [0,0,0,1,0,0|2,0,1]=4 2045 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,0,0,1,0,0|2,0,1]=4 2046 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|2,0,0]=3 2047 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|2,0,0]=3 2048 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,0,0,1,0,0|2,0,1]=4 2049 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 2050 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 2051 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 2052 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2053 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 2054 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 2055 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 2056 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 2057 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 2058 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 2059 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 2060 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 2061 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 2062 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 2063 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 2064 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 2065 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 2066 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2067 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 2068 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 2069 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 2070 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 2071 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 2072 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 2073 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 2074 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 2075 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 2076 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 2077 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 2078 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 2079 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 2080 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 2081 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 2082 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 2083 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2084 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 2085 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|2,0,0]=4 2086 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 2087 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2088 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|2,0,0]=4 2089 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|2,0,0]=4 2090 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|2,0,0]=4 2091 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 2092 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 2093 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 2094 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 2095 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|2,0,0]=4 2096 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|2,0,0]=4 2097 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|2,0,0]=4 2098 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|2,0,0]=4 2099 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|2,0,0]=4 2100 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|2,0,0]=4 2101 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|2,0,0]=4 2102 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 2103 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|2,0,0]=4 2104 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 2105 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|2,0,0]=4 2106 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|2,0,0]=4 2107 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|2,0,0]=4 2108 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2109 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|2,0,0]=4 2110 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2111 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2112 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2113 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|2,0,0]=4 2114 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|2,0,0]=4 2115 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|2,0,0]=4 2116 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|2,0,0]=4 2117 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 2118 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,1]=4 2119 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,1]=4 2120 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,1]=4 2121 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 2122 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,1]=4 2123 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 2124 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 2125 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,1]=4 2126 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,1]=4 2127 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 2128 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 2129 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 2130 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 2131 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 2132 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 2133 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 2134 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 2135 B5R0.2 OCCNCF 34a_100016990907_100015361967 [2,0,0,0,0,0|2,0,0]=4 2136 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 2137 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|2,0,0]=4 2138 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 2139 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 2140 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|1,0,0]=3 2141 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|2,0,0]=4 2142 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|2,0,0]=4 2143 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 2144 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 2145 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 2146 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|0,0,2]=4 2147 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,0]=3 2148 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,0]=3 2149 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,0]=3 2150 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 2151 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 2152 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 2153 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|2,0,0]=4 2154 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|1,0,0]=3 2155 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|1,0,0]=3 2156 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|1,0,0]=3 2157 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2158 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,1,0,0,0,0|2,0,0]=4 2159 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,1,0,0,0,0|2,0,0]=4 2160 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,1,0,0,0,0|2,0,0]=4 2161 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|1,0,0]=3 2162 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|1,0,0]=3 2163 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2164 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|1,0,0]=3 2166 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,0]=3 2167 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|2,0,0]=4 2168 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [1,1,0,0,0,0|1,0,1]=4 2169 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,1,0,0,0,0|1,0,1]=4 2170 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,1,0,0,0,0|0,0,2]=4 2171 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [1,1,0,0,0,0|1,0,1]=4 2172 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,1,0,0,0,0|1,0,0]=3 2173 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,1,0,0,0,0|2,0,0]=4 2174 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,1,0,0,0,0|1,0,0]=3 2175 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,1,0,0,0,0|2,0,0]=4 2176 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,1,0,0,0,0|2,0,0]=4 2177 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,1,0,0,0,0|0,0,2]=4 2178 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,2]=4 2179 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,0]=3 2180 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,1,0,0,0,0|2,0,0]=4 2181 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|1,0,0]=3 2182 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,1,0,0,0,0|2,0,0]=4 2183 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|2,0,0]=4 2184 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|2,0,0]=4 2185 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|2,0,0]=4 2186 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,1,0,0,0,0|2,0,0]=4 2187 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,1,0,0,0,0|0,0,2]=4 2188 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,1,0,0,0,0|0,0,2]=4 2189 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,2]=4 2190 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|2,0,0]=4 2191 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|1,0,0]=3 2192 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|2,0,0]=4 2193 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|2,0,0]=4 2194 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|2,0,0]=4 2195 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|2,0,0]=4 2196 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 2197 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 2198 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,0]=3 2199 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,0]=3 2200 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|1,0,0]=3 2201 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,0]=2 2202 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|1,0,0]=3 2203 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 2204 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 2205 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 2206 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2207 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|1,0,1]=4 2208 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2209 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2210 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2211 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 2212 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 2213 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 2214 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|2,0,0]=4 2215 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 2216 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,0]=3 2217 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|2,0,0]=4 2218 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 2219 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 2220 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|2,0,0]=4 2221 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|2,0,0]=4 2222 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|2,0,0]=4 2223 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|2,0,0]=4 2224 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|2,0,0]=4 2225 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,0]=3 2226 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|2,0,0]=4 2227 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|2,0,0]=4 2228 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|2,0,0]=4 2229 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|2,0,0]=4 2230 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|2,0,0]=4 2231 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 2232 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 2233 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|2,0,0]=4 2234 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|2,0,0]=4 2235 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|2,0,0]=4 2236 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 2237 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|2,0,0]=4 2238 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|2,0,0]=4 2239 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|2,0,0]=4 2240 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|2,0,0]=4 2241 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|2,0,0]=4 2242 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 2243 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 2244 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|2,0,0]=4 2245 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|2,0,0]=4 2246 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|2,0,0]=4 2247 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,0]=3 2248 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,0]=3 2249 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 2250 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 2251 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|2,0,0]=4 2252 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 2253 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 2254 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|2,0,0]=4 2255 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|2,0,0]=4 2256 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 2257 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|2,0,0]=4 2258 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|2,0,0]=4 2259 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 2260 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 2261 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 2262 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|2,0,0]=4 2263 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|2,0,0]=4 2264 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|2,0,0]=4 2265 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|2,0,0]=4 2266 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 2267 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 2268 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 2269 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 2270 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 2271 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 2272 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 2273 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 2274 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 2275 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 2276 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,0]=3 2277 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 2278 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|1,0,0]=3 2279 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|1,0,0]=3 2280 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|1,0,0]=3 2281 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|1,0,0]=3 2282 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,1,0,0,0,0|2,0,0]=4 2283 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,1,0,0,0,0|2,0,0]=4 2284 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|2,0,0]=4 2285 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|2,0,0]=4 2286 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [1,1,0,0,0,0|2,0,0]=4 2287 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|2,0,0]=4 2288 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,0,0]=3 2289 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|1,0,0]=3 2290 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|2,0,0]=4 2291 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,0]=3 2292 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,1,0,0,0,0|1,0,1]=4 2293 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,0,0]=3 2294 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|0,0,0]=2 2295 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 2296 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,1,0,0,0,0|2,0,0]=4 2297 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|1,0,0]=3 2298 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|1,0,0]=3 2299 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [1,1,0,0,0,0|2,0,0]=4 2300 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|1,0,0]=3 2301 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2302 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 2303 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|2,0,0]=4 2304 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|2,0,0]=4 2305 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,0]=3 2306 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|1,0,0]=3 2307 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|1,0,0]=3 2308 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|1,0,0]=3 2309 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 2310 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 2311 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 2312 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,1,0,0,0,0|2,0,0]=4 2313 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|1,0,0]=3 2314 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|1,0,0]=3 2315 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|2,0,0]=4 2316 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,1,0,0,0,0|2,0,0]=4 2317 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,1,0,0,0,0|2,0,0]=4 2318 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,0]=3 2319 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 2320 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 2321 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|2,0,0]=4 2322 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|2,0,0]=4 2323 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|2,0,0]=4 2324 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|2,0,0]=4 2325 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,1,0,0,0,0|2,0,0]=4 2326 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,1,0,0,0,0|1,0,1]=4 2327 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|1,0,1]=4 2328 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 2329 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|2,0,0]=4 2330 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|2,0,0]=4 2331 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|2,0,0]=4 2332 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|2,0,0]=4 2333 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,1,0,0,0,0|2,0,0]=4 2334 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,1,0,0,0,0|2,0,0]=4 2335 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|2,0,0]=4 2336 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,1,0,0,0,0|2,0,0]=4 2337 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,1,0,0,0,0|2,0,0]=4 2338 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,1,0,0,0,0|1,0,1]=4 2339 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,1,0,0,0,0|1,0,1]=4 2340 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,0]=3 2341 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,0]=3 2342 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|2,0,0]=4 2343 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|2,0,0]=4 2344 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2345 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 2346 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|2,0,0]=4 2347 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 2348 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|2,0,0]=4 2349 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|2,0,0]=4 2350 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,1,0,0,0,0|2,0,0]=4 2351 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,0]=3 2352 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 2353 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|1,0,1]=4 2354 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|1,0,1]=4 2355 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|1,0,1]=4 2356 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 2357 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|1,0,0]=3 2358 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2359 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,0]=3 2360 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|2,0,0]=4 2361 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|2,0,0]=4 2362 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|2,0,0]=4 2363 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|2,0,0]=4 2364 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|2,0,0]=4 2365 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2366 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2367 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|2,0,0]=4 2368 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|2,0,0]=4 2369 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 2370 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 2371 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 2372 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2373 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|2,0,0]=4 2374 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|2,0,0]=4 2375 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|2,0,0]=4 2376 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,0]=3 2377 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|1,0,1]=4 2378 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|2,0,0]=4 2379 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|2,0,0]=4 2380 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|1,0,1]=4 2381 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|2,0,0]=4 2382 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|2,0,0]=4 2383 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|2,0,0]=4 2384 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|1,0,1]=4 2385 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|1,0,1]=4 2386 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|2,0,0]=4 2387 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 2388 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|2,0,0]=4 2389 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|2,0,0]=4 2390 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|2,0,0]=4 2391 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 2392 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,1,0,0,0,0|1,0,1]=4 2393 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,1,0,0,0,0|1,0,1]=4 2394 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,1,0,0,0,0|1,0,1]=4 2395 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,1,0,0,0,0|1,0,1]=4 2396 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,1,0,0,0,0|1,0,1]=4 2397 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [1,1,0,0,0,0|1,0,1]=4 2398 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [1,1,0,0,0,0|1,0,1]=4 2399 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [1,1,0,0,0,0|1,0,1]=4 2400 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [1,1,0,0,0,0|1,0,1]=4 2401 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [1,1,0,0,0,0|1,0,1]=4 2402 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [1,1,0,0,0,0|1,0,1]=4 2403 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [1,1,0,0,0,0|1,0,1]=4 2404 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [1,1,0,0,0,0|1,0,1]=4 2405 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [1,1,0,0,0,0|1,0,1]=4 2406 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [1,1,0,0,0,0|1,0,1]=4 2407 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [1,1,0,0,0,0|1,0,1]=4 2408 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [1,1,0,0,0,0|1,0,1]=4 2409 B7R0.1 C#CCSCCCO 62a_100000038162_100011215043 [1,1,0,0,0,0|1,0,1]=4 2410 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,1,0,0,0,0|1,0,1]=4 2411 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,1,0,0,0,0|1,0,1]=4 2412 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,1,0,0,0,0|1,0,1]=4 2413 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,1,0,0,0,0|1,0,1]=4 2414 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2415 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,1,0,0,0,0|2,0,0]=4 2416 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2417 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,1,0,0,0,0|2,0,0]=4 2418 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,1,0,0,0,0|2,0,0]=4 2419 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2420 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2421 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,1,0,0,0,0|1,0,0]=3 2422 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,1,0,0,0,0|1,0,0]=3 2423 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,1,0,0,0,0|1,0,0]=3 2424 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,1,0,0,0,0|1,0,0]=3 2425 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,1,0,0,0,0|1,0,0]=3 2426 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,1,0,0,0,0|1,1,0]=4 2427 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,1,0,0,0,0|1,1,0]=4 2428 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,1,0,0,0,0|1,1,0]=4 2429 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,1,0,0,0,0|1,1,0]=4 2430 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,1,0,0,0,0|2,0,0]=4 2431 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,1,0,0,0,0|2,0,0]=4 2432 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,1,0,0,0,0|2,0,0]=4 2433 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,1,0,0,0,0|2,0,0]=4 2434 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|2,0,0]=4 2435 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|2,0,0]=4 2436 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|2,0,0]=4 2437 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,1,0,0,0,0|2,0,0]=4 2438 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,1,0,0,0,0|2,0,0]=4 2439 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,1,0,0,0,0|2,0,0]=4 2440 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,1,0,0,0,0|2,0,0]=4 2441 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,1,0,0,0,0|2,0,0]=4 2442 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,1,0,0,0,0|2,0,0]=4 2443 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,1,0,0,0,0|1,0,1]=4 2444 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,1,0,0,0,0|2,0,0]=4 2445 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,1,0,0,0,0|2,0,0]=4 2446 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,1,0,0,0,0|2,0,0]=4 2447 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,1,0,0,0,0|1,0,0]=3 2448 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,1,0,0,0,0|1,0,0]=3 2449 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,1,0,0,0,0|1,0,0]=3 2450 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,1,0,0,0,0|2,0,0]=4 2451 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,1,0,0,0,0|1,0,1]=4 2452 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,1,0,0,0,0|2,0,0]=4 2453 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,1,0,0,0,0|2,0,0]=4 2454 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,1,0,0,0,0|2,0,0]=4 2456 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,1,0,0,0,0|1,0,0]=3 2458 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,1,0,0,0,0|1,0,1]=4 2459 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,1,0,0,0,0|1,0,1]=4 2460 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,1,0,0,0,0|2,0,0]=4 2461 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,1,0,0,0,0|2,0,0]=4 2462 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,1,0,0,0,0|2,0,0]=4 2463 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,1,0,0,0,0|2,0,0]=4 2464 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,1,0,0,0,0|1,0,0]=3 2465 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,1,0,0,0,0|1,0,0]=3 2466 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,1,0,0,0,0|2,0,0]=4 2467 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,1,0,0,0,0|2,0,0]=4 2468 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,1,0,0,0,0|2,0,0]=4 2469 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,1,0,0,0,0|2,0,0]=4 2470 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,1,0,0,0,0|2,0,0]=4 2471 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,1,0,0,0,0|2,0,0]=4 2472 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,1,0,0,0,0|2,0,0]=4 2473 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,1,0,0,0,0|2,0,0]=4 2474 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,1,0,0,0,0|1,0,0]=3 2475 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,1,0,0,0,0|2,0,0]=4 2476 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,1,0,0,0,0|2,0,0]=4 2477 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,1,0,0,0,0|2,0,0]=4 2478 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|2,0,0]=4 2479 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|2,0,0]=4 2480 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|2,0,0]=4 2481 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,1,0,0,0,0|2,0,0]=4 2482 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,1,0,0,0,0|2,0,0]=4 2483 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,1,0,0,0,0|2,0,0]=4 2484 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,1,0,0,0,0|2,0,0]=4 2485 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,1,0,0,0,0|1,0,0]=3 2486 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2487 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,1,0,0,0,0|2,0,0]=4 2488 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,1,0,0,0,0|2,0,0]=4 2489 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2490 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [1,1,0,0,0,0|2,0,0]=4 2491 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2492 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2493 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,1,0,0,0,0|2,0,0]=4 2494 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,1,0,0,0,0|2,0,0]=4 2495 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,1,0,0,0,0|2,0,0]=4 2496 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,1,0,0,0,0|2,0,0]=4 2497 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,1,0,0,0,0|1,0,0]=3 2498 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,1,0,0,0,0|1,0,0]=3 2499 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,1,0,0,0,0|2,0,0]=4 2500 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,1,0,0,0,0|2,0,0]=4 2501 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|1,0,1]=4 2502 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|1,0,1]=4 2503 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,1,0,0,0,0|1,0,1]=4 2504 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,1,0,0,0,0|1,0,1]=4 2505 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,1,0,0,0,0|1,0,1]=4 2506 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,1,0,0,0,0|1,0,1]=4 2507 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,1,0,0,0,0|1,0,1]=4 2508 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,1,0,0,0,0|1,0,1]=4 2509 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,1,0,0,0,0|1,0,1]=4 2510 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,1,0,0,0,0|1,0,1]=4 2511 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,1,0,0,0,0|1,0,1]=4 2512 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,1,0,0,0,0|1,0,0]=3 2513 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,1,0,0,0,0|1,0,0]=3 2514 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,1,0,0,0,0|1,0,1]=4 2515 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,1,0,0,0,0|1,0,1]=4 2516 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,1,0,0,0,0|1,0,1]=4 2517 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,1,0,0,0,0|1,0,1]=4 2518 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|1,0,0]=3 2519 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|1,0,0]=3 2520 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 2521 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|1,0,1]=4 2522 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,1,0,0,0,0|1,0,0]=3 2523 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,1,0,0,0,0|1,0,0]=3 2524 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,1,0,0,0,0|1,0,1]=4 2525 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,1,0,0,0,0|1,0,1]=4 2526 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,1,0,0,0,0|1,0,1]=4 2527 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,1,0,0,0,0|1,0,1]=4 2528 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,1,0,0,0,0|1,0,1]=4 2529 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,1,0,0,0,0|1,0,0]=3 2530 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 2531 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,1,0,0,0,0|1,0,1]=4 2532 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 2533 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|1,0,1]=4 2534 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,1,0,0,0,0|2,0,0]=4 2535 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,1,0,0,0,0|2,0,0]=4 2536 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,1,0,0,0,0|1,0,0]=3 2537 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,1,0,0,0,0|1,0,0]=3 2538 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,1,0,0,0,0|1,0,1]=4 2539 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 2540 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,1,0,0,0,0|1,0,0]=3 2541 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,1,0,0,0,0|1,0,0]=3 2542 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 2543 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,1,0,0,0,0|1,0,1]=4 2544 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 2545 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,1,0,0,0,0|1,0,1]=4 2546 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,1,0,0,0,0|1,0,1]=4 2547 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,1,0,0,0,0|2,0,0]=4 2548 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,1,0,0,0,0|2,0,0]=4 2549 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,1,0,0,0,0|2,0,0]=4 2550 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 2551 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,1,0,0,0,0|2,0,0]=4 2552 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,1,0,0,0,0|2,0,0]=4 2553 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,1,0,0,0,0|2,0,0]=4 2554 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,1,0,0,0,0|2,0,0]=4 2555 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2556 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,1,0,0,0,0|1,0,1]=4 2557 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,1,0,0,0,0|1,0,1]=4 2558 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 2559 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,1,0,0,0,0|1,0,1]=4 2560 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,1,0,0,0,0|1,0,1]=4 2561 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,1,0,0,0,0|1,0,1]=4 2562 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,1,0,0,0,0|1,0,1]=4 2563 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,1,0,0,0,0|1,0,1]=4 2564 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,1,0,0,0,0|0,0,1]=3 2565 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,1,0,0,0,0|2,0,0]=4 2566 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,1,0,0,0,0|2,0,0]=4 2567 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,1,0,0,0,0|2,0,0]=4 2568 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,1,0,0,0,0|2,0,0]=4 2569 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,1,0,0,0,0|2,0,0]=4 2570 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,1,0,0,0,0|2,0,0]=4 2571 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,1,0,0,0,0|2,0,0]=4 2572 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,1,0,0,0,0|2,0,0]=4 2573 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,1,0,0,0,0|2,0,0]=4 2574 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,1,0,0,0,0|1,0,0]=3 2575 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,1,0,0,0,0|1,0,1]=4 2576 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,1,0,0,0,0|1,0,1]=4 2577 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,1,0,0,0,0|1,0,1]=4 2578 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,1,0,0,0,0|1,0,0]=3 2579 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,1,0,0,0,0|1,0,1]=4 2580 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,1,0,0,0,0|1,0,1]=4 2581 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,1,0,0,0,0|1,0,0]=3 2582 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,1,0,0,0,0|1,0,0]=3 2583 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,1,0,0,0,0|1,0,1]=4 2584 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,1,0,0,0,0|1,0,1]=4 2585 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,1,0,0,0,0|1,0,1]=4 2586 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,1,0,0,0,0|1,0,1]=4 2587 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,1,0,0,0,0|0,1,0]=3 2588 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,1,0,0,0,0|0,1,0]=3 2589 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,1,0,0,0,0|0,1,1]=4 2590 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,1,0,0,0,0|0,1,1]=4 2591 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,1,0,0,0,0|2,0,0]=4 2592 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,1,0,0,0,0|2,0,0]=4 2593 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,1,0,0,0,0|1,1,0]=4 2594 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,1,0,0,0,0|2,0,0]=4 2595 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,1,0,0,0,0|2,0,0]=4 2596 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,1,0,0,0,0|1,1,0]=4 2598 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,1,0,0,0,0|1,1,0]=4 2599 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 2600 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,1,0,0,0,0|2,0,0]=4 2601 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,1,0,0,0,0|2,0,0]=4 2602 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,1,0,0,0,0|2,0,0]=4 2603 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,1,0,0,0,0|1,1,0]=4 2604 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,1,0,0,0,0|1,1,0]=4 2605 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,1,0,0,0,0|2,0,0]=4 2606 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,1,0,0,0,0|2,0,0]=4 2607 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,1,0,0,0,0|2,0,0]=4 2608 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,1,0,0,0,0|2,0,0]=4 2609 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [1,1,0,0,0,0|1,0,1]=4 2610 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [1,1,0,0,0,0|1,0,1]=4 2611 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [1,1,0,0,0,0|1,0,1]=4 2612 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [1,1,0,0,0,0|1,0,1]=4 2613 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [1,1,0,0,0,0|1,0,1]=4 2614 B7R0.1 N#CCSCCCO 62a_100011215043_100011215382 [1,1,0,0,0,0|1,0,1]=4 2615 B7R0.1 N#CCSCCCO 62a_100011215382_100011215043 [1,1,0,0,0,0|1,0,1]=4 2616 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,1,0,0,0,0|1,0,0]=3 2617 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,1,0,0,0,0|1,0,1]=4 2618 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,1,0,0,0,0|1,0,1]=4 2619 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,1,0,0,0,0|1,0,0]=3 2620 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [1,1,0,0,0,0|1,0,1]=4 2621 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,1,0,0,0,0|1,0,0]=3 2622 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,1,0,0,0,0|1,0,0]=3 2623 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,1,0,0,0,0|1,0,0]=3 2624 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,1,0,0,0,0|1,0,0]=3 2625 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,1,0,0,0,0|1,0,0]=3 2626 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,1,0,0,0,0|1,0,0]=3 2627 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,1,0,0,0,0|1,0,0]=3 2628 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,1,0,0,0,0|1,0,0]=3 2629 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,1,0,0,0,0|1,0,0]=3 2630 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,1,0,0,0,0|0,0,0]=2 2631 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,1,0,0,0,0|0,0,0]=2 2632 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,1,0,0,0,0|1,0,1]=4 2633 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,1,0,0,0,0|1,0,1]=4 2634 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,1,0,0,0,0|1,0,1]=4 2635 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,1,0,0,0,0|1,0,1]=4 2636 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,1,0,0,0,0|0,0,1]=3 2637 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,1,0,0,0,0|0,0,1]=3 2638 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,1,0,0,0,0|1,0,1]=4 2639 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,1,0,0,0,0|1,0,1]=4 2640 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,1,0,0,0,0|1,0,1]=4 2641 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,1,0,0,0,0|0,0,1]=3 2642 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,1,0,0,0,0|0,0,1]=3 2643 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,1,0,0,0,0|1,0,1]=4 2644 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,1,0,0,0,0|1,0,1]=4 2645 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,1,0,0,0,0|1,0,1]=4 2646 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,1,0,0,0,0|1,0,1]=4 2647 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,1,0,0,0,0|1,0,1]=4 2648 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,1,0,0,0,0|1,0,1]=4 2649 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,1,0,0,0,0|1,0,1]=4 2650 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,1,0,0,0,0|1,0,1]=4 2651 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,1,0,0,0,0|1,0,1]=4 2652 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 2653 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 2654 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 2655 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,1,0,0,0,0|2,0,0]=4 2656 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2657 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,1,0,0,0,0|1,0,1]=4 2658 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,1,0,0,0,0|1,0,1]=4 2659 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 2660 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,1,0,0,0,0|1,0,1]=4 2661 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,1,0,0,0,0|1,0,1]=4 2662 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,1,0,0,0,0|1,0,1]=4 2663 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,1,0,0,0,0|1,0,1]=4 2664 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,1,0,0,0,0|0,1,0]=3 2665 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,1,0,0,0,0|0,1,0]=3 2666 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,1,0,0,0,0|0,1,1]=4 2667 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,1,0,0,0,0|0,1,1]=4 2668 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,1,0,0,0,0|2,0,0]=4 2669 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,1,0,0,0,0|2,0,0]=4 2670 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,1,0,0,0,0|1,0,1]=4 2671 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,1,0,0,0,0|1,0,1]=4 2672 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 2673 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 2674 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [1,1,0,0,0,0|2,0,0]=4 2675 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [1,1,0,0,0,0|2,0,0]=4 2676 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 2677 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 2678 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [1,1,0,0,0,0|1,0,0]=3 2679 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [1,1,0,0,0,0|1,0,0]=3 2680 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [1,1,0,0,0,0|1,0,1]=4 2681 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [1,1,0,0,0,0|1,0,1]=4 2682 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [1,1,0,0,0,0|1,0,1]=4 2683 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|0,0,2]=4 2685 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [1,1,0,0,0,0|1,0,1]=4 2686 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [1,1,0,0,0,0|1,0,1]=4 2687 B9R0.4 C#CCCN(C)CC(=O)O 269956a_100000746989_100000688953 [0,2,0,0,0,0|1,0,1]=4 2688 B9R0.4 C=C(C)CN(C)CCCO 2230a_100000213112_100000748629 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.4 C=C(C)CN(C)CCCO 2230a_100000225649_100000230001 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.4 C=C(C)CN(C)CCCO 269982a_100000213112_100000748629 [0,2,0,0,0,0|2,0,0]=4 2691 B9R0.4 C=C(C)CN(C)CCCO 269982a_100000225649_100011215043 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.4 C=C(F)CN(C)CCCO 2230a_100000213112_100009893438 [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.4 C=C(F)CN(C)CCCO 269982a_100000213112_100009893438 [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,2,0,0,0,0|1,0,1]=4 2695 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.4 CC(O)CN(C)CCCO 2230a_100000213112_100011218427 [0,2,0,0,0,0|1,0,1]=4 2698 B9R0.4 CC(O)CN(C)CCCO 2230a_100000227577_100000230001 [0,2,0,0,0,0|1,0,1]=4 2699 B9R0.4 CC(O)CN(C)CCCO 269982a_100000213112_100011218427 [0,2,0,0,0,0|1,0,1]=4 2700 B9R0.4 CC(O)CN(C)CCCO 269982a_100000227577_100011215043 [0,2,0,0,0,0|1,0,1]=4 2701 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,2,0,0,0,0|1,0,1]=4 2704 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,2,0,0,0,0|2,0,0]=4 2709 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,2,0,0,0,0|1,0,0]=3 2712 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,2,0,0,0,0|1,0,1]=4 2713 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,2,0,0,0,0|1,0,0]=3 2714 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100000746989_100011215226 [0,2,0,0,0,0|1,0,1]=4 2716 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100011218032_200000210301 [0,2,0,0,0,0|1,0,1]=4 2717 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,2,0,0,0,0|1,0,0]=3 2719 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,2,0,0,0,0|1,0,0]=3 2720 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,2,0,0,0,0|1,0,0]=3 2721 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,2,0,0,0,0|1,0,0]=3 2722 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,2,0,0,0,0|0,0,0]=2 2723 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,2,0,0,0,0|0,0,1]=3 2724 B9R0.4 CN(CCCO)C[N+](=O)[O-] 269982a_100000213112_100000761209 [0,2,0,0,0,0|1,0,1]=4 2725 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,2,0,0,0,0|1,0,1]=4 2726 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,2,0,0,0,0|1,0,1]=4 2727 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,2,0,0,0,0|0,0,2]=4 2728 B9R0.4 COCCN(C)CC(=O)N 2230a_100000739694_100011201679 [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.4 COCCN(C)CC(=O)N 2230a_100000743101_100000747473 [0,2,0,0,0,0|2,0,0]=4 2730 B9R0.4 COCCN(C)CC(=O)N 269982a_100000743101_100000187820 [0,2,0,0,0,0|2,0,0]=4 2731 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,2,0,0,0,0|1,0,0]=3 2732 B9R0.4 COCCN(C)CC(=O)[O-] 269982a_100000743101_100020667443 [0,2,0,0,0,0|1,0,1]=4 2733 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,2,0,0,0,0|1,1,0]=4 2734 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,2,0,0,0,0|1,0,1]=4 2735 B9R0.4 C[C@@H](O)CN(C)CCCO 2230a_100000213112_100009817552 [0,2,0,0,0,0|1,0,1]=4 2736 B9R0.4 C[C@@H](O)CN(C)CCCO 269982a_100000213112_100009817552 [0,2,0,0,0,0|1,0,1]=4 2737 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,2,0,0,0,0|2,0,0]=4 2738 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,2,0,0,0,0|1,0,0]=3 2739 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [0,2,0,0,0,0|1,0,1]=4 2740 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [0,2,0,0,0,0|1,0,1]=4 2741 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,2,0,0,0,0|1,0,0]=3 2742 B9R0.4 [13CH3]N(CCC#N)CC(=O)O 269956a_100011218032_200025704644 [0,2,0,0,0,0|1,0,1]=4 2743 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,2,0,0,0,0|1,0,1]=4 2744 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 2745 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 2746 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,2,0,0,0,0|2,0,0]=4 2747 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,2,0,0,0,0|2,0,0]=4 2748 B9R0.6 CC(C(=O)N)C(=O)CCO 1458a_100011216618_100000702099 [0,2,0,0,0,0|1,0,1]=4 2749 B9R0.6 CC(C(=O)N)N(C)CCO 2230a_100000210263_100000702099 [0,2,0,0,0,0|2,0,0]=4 2750 B9R0.6 CC(C(=O)N)N(C)CCO 269982a_100000210263_100000184083 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,2,0,0,0,0|1,0,0]=3 2753 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,2,0,0,0,0|1,0,0]=3 2754 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,2,0,0,0,0|1,0,0]=3 2755 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.6 CN(CCO)C(F)C(=O)N 2230a_100000210263_100009813875 [0,2,0,0,0,0|2,0,0]=4 2757 B9R0.6 CN(CCO)C(F)C(=O)N 269982a_100000210263_100009813875 [0,2,0,0,0,0|2,0,0]=4 2758 B9R0.6 NC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813875 [0,2,0,0,0,0|1,0,1]=4 2759 B9R0.6 O=C([O-])C(F)C(=O)CCO 1458a_100011216618_100020610796 [0,2,0,0,0,0|0,0,2]=4 2760 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,2,0,0,0,0|2,0,0]=4 2761 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [0,2,0,0,0,0|2,0,0]=4 2762 B9R0.14 CCN(CCO)CC(=O)N 2230a_100000210973_100000747473 [0,2,0,0,0,0|2,0,0]=4 2763 B9R0.14 CCN(CCO)CC(=O)N 269982a_100000210973_100000187820 [0,2,0,0,0,0|2,0,0]=4 2764 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,2,0,0,0,0|1,0,0]=3 2765 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,2,0,0,0,0|1,0,0]=3 2766 B9R0.14 CCN(CCO)CC(=O)[O-] 269982a_100000210973_100020667443 [0,2,0,0,0,0|1,0,1]=4 2767 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,2,0,0,0,0|2,0,0]=4 2768 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,2,0,0,0,0|2,0,0]=4 2769 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [0,2,0,0,0,0|2,0,0]=4 2770 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [0,2,0,0,0,0|1,0,0]=3 2771 B9R0.14 O=C(O)C[C@@H](CO)NCF 269956a_100009816507_100015361967 [0,2,0,0,0,0|2,0,0]=4 2772 B9R0.14 O=C([O-])CN(CO)CCO 269956a_100016989150_100000211926 [0,2,0,0,0,0|1,0,1]=4 2773 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000693034_100000747473 [0,2,0,0,0,0|2,0,0]=4 2774 B9R0.23 CC(CO)N(C)CC(=O)N 2230a_100000739694_100012180447 [0,2,0,0,0,0|2,0,0]=4 2775 B9R0.23 CC(CO)N(C)CC(=O)N 269982a_100000693034_100000187820 [0,2,0,0,0,0|2,0,0]=4 2776 B9R0.23 CC(CO)N(C)CC(=O)[O-] 269982a_100000693034_100020667443 [0,2,0,0,0,0|1,0,1]=4 2777 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,2,0,0,0,0|2,0,0]=4 2778 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,2,0,0,0,0|1,0,0]=3 2779 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [0,2,0,0,0,0|1,0,1]=4 2780 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [0,2,0,0,0,0|0,0,2]=4 2781 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [0,2,0,0,0,0|2,0,0]=4 2782 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [0,2,0,0,0,0|2,0,0]=4 2783 B9R0.34 C=CC(=O)N[C@H](C)CCO 240690a_100000706166_200121576911 [0,2,0,0,0,0|2,0,0]=4 2784 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,2,0,0,0,0|1,0,1]=4 2785 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [0,2,0,0,0,0|2,0,0]=4 2786 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 2787 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,2,0,0,0,0|2,0,0]=4 2788 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,2,0,0,0,0|1,0,1]=4 2789 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,2,0,0,0,0|1,0,1]=4 2790 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,2,0,0,0,0|1,0,1]=4 2791 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,2,0,0,0,0|2,0,0]=4 2792 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,2,0,0,0,0|2,0,0]=4 2793 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,2,0,0,0,0|2,0,0]=4 2794 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,2,0,0,0,0|1,0,0]=3 2795 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,2,0,0,0,0|2,0,0]=4 2796 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 2797 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 2798 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,2,0,0,0,0|2,0,0]=4 2799 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,2,0,0,0,0|2,0,0]=4 2800 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,2,0,0,0,0|2,0,0]=4 2801 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,2,0,0,0,0|2,0,0]=4 2802 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,2,0,0,0,0|2,0,0]=4 2803 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,2,0,0,0,0|2,0,0]=4 2804 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [0,2,0,0,0,0|2,0,0]=4 2805 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [0,2,0,0,0,0|2,0,0]=4 2806 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [0,2,0,0,0,0|2,0,0]=4 2807 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [0,2,0,0,0,0|2,0,0]=4 2808 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,2,0,0,0,0|1,0,1]=4 2809 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000189611_100000211926 [0,2,0,0,0,0|2,0,0]=4 2810 B9R0.34 CNC(=O)CN(C)CCO 2230a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 2811 B9R0.34 CNC(=O)CN(C)CCO 269982a_100000210263_100000183359 [0,2,0,0,0,0|2,0,0]=4 2812 B9R0.34 CNC(=O)N[C@H](C)CCO 2708a_100102657272_100000706166 [0,2,0,0,0,0|2,0,0]=4 2813 B9R0.34 CNC(=O)N[C@H](C)CCO 273464a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 2814 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_100000706166_100102657272 [0,2,0,0,0,0|2,0,0]=4 2815 B9R0.34 CNC(=O)N[C@H](C)CCO 512a_106832991638_100000706166 [0,2,0,0,0,0|2,0,0]=4 2816 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [0,2,0,0,0,0|2,0,0]=4 2817 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [0,2,0,0,0,0|2,0,0]=4 2818 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,2,0,0,0,0|1,0,1]=4 2819 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,2,0,0,0,0|0,0,1]=3 2820 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,2,0,0,0,0|0,0,1]=3 2821 B9R0.34 COC(=O)CC(C)SCF 62a_100009817358_100015361967 [0,2,0,0,0,0|2,0,0]=4 2822 B9R0.34 COC(=O)CC(C)SCF 62a_100015361967_100009817358 [0,2,0,0,0,0|2,0,0]=4 2823 B9R0.34 COC(=O)CN(C)CCF 2230a_100000198492_100011217306 [0,2,0,0,0,0|2,0,0]=4 2824 B9R0.34 COC(=O)CN(C)CCO 2230a_100000198492_100000211926 [0,2,0,0,0,0|1,0,0]=3 2825 B9R0.34 COC(=O)CN(C)CCO 2230a_100000210263_100000747449 [0,2,0,0,0,0|1,0,0]=3 2826 B9R0.34 COC(=O)CN(C)CCO 269982a_100000210263_100000747449 [0,2,0,0,0,0|1,0,0]=3 2827 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [0,2,0,0,0,0|2,0,0]=4 2829 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [0,2,0,0,0,0|2,0,0]=4 2830 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [0,2,0,0,0,0|2,0,0]=4 2831 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [0,2,0,0,0,0|2,0,0]=4 2832 B9R0.34 C[C@H](CCO)NC(=O)CO 240690a_100000706166_100000210174 [0,2,0,0,0,0|1,0,0]=3 2833 B9R0.34 C[C@H](CCO)NC(=O)CO 527a_100000706166_100000210174 [0,2,0,0,0,0|1,0,0]=3 2834 B9R0.34 O=C(CO)CC(=O)NCO 1458a_100000210174_100000185155 [0,2,0,0,0,0|1,0,1]=4 2835 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,2,0,0,0,0|2,0,0]=4 2836 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,2,0,0,0,0|1,0,1]=4 2837 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000227577_100000747473 [0,2,0,0,0,0|2,0,0]=4 2838 B9R0.53 CC(O)CN(C)CC(=O)N 2230a_100000739694_100011218427 [0,2,0,0,0,0|2,0,0]=4 2839 B9R0.53 CC(O)CN(C)CC(=O)N 269982a_100000227577_100000187820 [0,2,0,0,0,0|2,0,0]=4 2840 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,2,0,0,0,0|1,0,0]=3 2841 B9R0.53 CC(O)CN(C)CC(=O)[O-] 269982a_100000227577_100020667443 [0,2,0,0,0,0|1,0,1]=4 2842 B9R0.53 CN(CC(=O)O)CC(F)F 269956a_100000746989_100011934356 [0,2,0,0,0,0|2,0,0]=4 2843 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,2,0,0,0,0|1,0,1]=4 2844 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,2,0,0,0,0|0,0,2]=4 2845 B9R0.53 C[C@@H](O)CN(C)CC(=O)N 2230a_100000739694_100009817552 [0,2,0,0,0,0|2,0,0]=4 2846 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,2,0,0,0,0|1,0,0]=3 2847 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [0,2,0,0,0,0|2,0,0]=4 2848 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [0,2,0,0,0,0|2,0,0]=4 2849 B9R0.58 CC(C)(CC(=O)O)NCF 269956a_100000755897_100015361967 [0,2,0,0,0,0|2,0,0]=4 2850 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,2,0,0,0,0|2,0,0]=4 2851 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,2,0,0,0,0|2,0,0]=4 2852 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,2,0,0,0,0|2,0,0]=4 2853 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,2,0,0,0,0|2,0,0]=4 2854 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,2,0,0,0,0|1,0,0]=3 2855 B9R0.1 C=C(Br)CCOC(C)CO 34a_100009813270_100012180447 [0,2,0,0,0,0|2,0,0]=4 2856 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,2,0,0,0,0|2,0,0]=4 2857 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,2,0,0,0,0|2,0,0]=4 2859 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,2,0,0,0,0|2,0,0]=4 2860 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,2,0,0,0,0|2,0,0]=4 2861 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.1 C=C(C)CNC[C@@H](F)CO 34a_100015665980_100000748629 [0,2,0,0,0,0|2,0,0]=4 2863 B9R0.1 C=C(C)CNC[C@H](O)CO 2230a_100020644852_100000748629 [0,2,0,0,0,0|2,0,0]=4 2864 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [0,2,0,0,0,0|2,0,0]=4 2865 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,2,0,0,0,0|2,0,0]=4 2866 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [0,2,0,0,0,0|2,0,0]=4 2867 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [0,2,0,0,0,0|2,0,0]=4 2868 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [0,2,0,0,0,0|2,0,0]=4 2869 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,2,0,0,0,0|2,0,0]=4 2870 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,2,0,0,0,0|2,0,0]=4 2871 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [0,2,0,0,0,0|2,0,0]=4 2872 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [0,2,0,0,0,0|2,0,0]=4 2873 B9R0.1 C=C(F)CNCC(C)CO 34a_100000744482_100009893438 [0,2,0,0,0,0|2,0,0]=4 2874 B9R0.1 C=C(F)CNC[C@@H](F)CO 34a_100015665980_100009893438 [0,2,0,0,0,0|2,0,0]=4 2875 B9R0.1 C=C(F)CNC[C@H](O)CO 2230a_100020644852_100009893438 [0,2,0,0,0,0|2,0,0]=4 2876 B9R0.1 C=C(F)COCC(O)CO 34a_200010262243_100011219619 [0,2,0,0,0,0|2,0,0]=4 2877 B9R0.1 C=C(F)COC[C@@H](C)CO 34a_200010262243_100000059175 [0,2,0,0,0,0|2,0,0]=4 2878 B9R0.1 C=C(F)COC[C@@H](O)CO 34a_200010262243_100009815848 [0,2,0,0,0,0|2,0,0]=4 2879 B9R0.1 C=C(F)CSCC(O)CO 62a_100000042424_100011219619 [0,2,0,0,0,0|2,0,0]=4 2880 B9R0.1 C=C(F)CSCC(O)CO 62a_100011219619_100000042424 [0,2,0,0,0,0|2,0,0]=4 2881 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000042424_100000059175 [0,2,0,0,0,0|2,0,0]=4 2882 B9R0.1 C=C(F)CSC[C@@H](C)CO 62a_100000059175_100000042424 [0,2,0,0,0,0|2,0,0]=4 2883 B9R0.1 C=C(F)CSC[C@@H](O)CO 62a_100000042424_100009815848 [0,2,0,0,0,0|2,0,0]=4 2884 B9R0.1 C=C(F)CSC[C@@H](O)CO 62a_100009815848_100000042424 [0,2,0,0,0,0|2,0,0]=4 2885 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,2,0,0,0,0|2,0,0]=4 2886 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,2,0,0,0,0|1,0,0]=3 2887 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,2,0,0,0,0|2,0,0]=4 2888 B9R0.1 C=CC(O)CNCC(=O)N 2230a_100000711301_100000730141 [0,2,0,0,0,0|2,0,0]=4 2889 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,2,0,0,0,0|1,0,0]=3 2890 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [0,2,0,0,0,0|2,0,0]=4 2891 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [0,2,0,0,0,0|2,0,0]=4 2892 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [0,2,0,0,0,0|2,0,0]=4 2893 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100000730141_100020667443 [0,2,0,0,0,0|1,0,1]=4 2894 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100020667443_100000730141 [0,2,0,0,0,0|1,0,1]=4 2895 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,2,0,0,0,0|1,0,0]=3 2896 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,2,0,0,0,0|1,0,0]=3 2898 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,2,0,0,0,0|1,0,0]=3 2899 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,2,0,0,0,0|1,0,0]=3 2900 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,2,0,0,0,0|1,0,0]=3 2901 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,2,0,0,0,0|1,0,0]=3 2902 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,2,0,0,0,0|1,0,0]=3 2903 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,2,0,0,0,0|1,0,0]=3 2904 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,2,0,0,0,0|2,0,0]=4 2905 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,2,0,0,0,0|1,0,0]=3 2906 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,2,0,0,0,0|1,0,1]=4 2907 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,2,0,0,0,0|1,0,0]=3 2908 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,2,0,0,0,0|1,0,0]=3 2909 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,2,0,0,0,0|1,0,1]=4 2910 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,2,0,0,0,0|2,0,0]=4 2911 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,2,0,0,0,0|2,0,0]=4 2912 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,2,0,0,0,0|2,0,0]=4 2913 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,2,0,0,0,0|2,0,0]=4 2914 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,2,0,0,0,0|1,0,0]=3 2915 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,2,0,0,0,0|2,0,0]=4 2916 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,2,0,0,0,0|2,0,0]=4 2917 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,2,0,0,0,0|2,0,0]=4 2918 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,2,0,0,0,0|2,0,0]=4 2919 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,2,0,0,0,0|0,0,1]=3 2920 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,2,0,0,0,0|2,0,0]=4 2921 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,2,0,0,0,0|2,0,0]=4 2922 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,2,0,0,0,0|2,0,0]=4 2923 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,2,0,0,0,0|1,0,1]=4 2924 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,2,0,0,0,0|2,0,0]=4 2925 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,2,0,0,0,0|1,0,0]=3 2926 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,2,0,0,0,0|0,0,1]=3 2927 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,2,0,0,0,0|1,0,1]=4 2928 B9R0.1 CC(CO)CNC[N+](=O)[O-] 34a_100000744482_100000761209 [0,2,0,0,0,0|1,0,1]=4 2929 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,2,0,0,0,0|1,0,0]=3 2930 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,2,0,0,0,0|1,0,0]=3 2931 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,2,0,0,0,0|1,0,0]=3 2932 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|0,0,0]=2 2933 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|1,0,0]=3 2934 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|1,0,0]=3 2935 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,2,0,0,0,0|1,0,1]=4 2936 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,2,0,0,0,0|1,0,1]=4 2937 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,2,0,0,0,0|1,0,1]=4 2938 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,2,0,0,0,0|1,0,1]=4 2939 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,2,0,0,0,0|1,0,1]=4 2940 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,2,0,0,0,0|1,0,1]=4 2941 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,2,0,0,0,0|1,0,1]=4 2942 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,2,0,0,0,0|1,0,1]=4 2943 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,2,0,0,0,0|1,0,1]=4 2944 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,2,0,0,0,0|1,0,1]=4 2945 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [0,2,0,0,0,0|1,0,1]=4 2946 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,2,0,0,0,0|1,0,1]=4 2947 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,2,0,0,0,0|1,0,1]=4 2948 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,2,0,0,0,0|1,0,1]=4 2949 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,2,0,0,0,0|2,0,0]=4 2950 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,2,0,0,0,0|1,0,1]=4 2951 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,2,0,0,0,0|1,0,1]=4 2952 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,2,0,0,0,0|1,0,1]=4 2953 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,2,0,0,0,0|1,0,1]=4 2954 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,2,0,0,0,0|1,0,1]=4 2955 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,2,0,0,0,0|1,0,1]=4 2956 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,2,0,0,0,0|2,0,0]=4 2957 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,2,0,0,0,0|2,0,0]=4 2958 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,2,0,0,0,0|1,0,0]=3 2961 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,2,0,0,0,0|1,0,1]=4 2962 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,2,0,0,0,0|2,0,0]=4 2963 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,2,0,0,0,0|2,0,0]=4 2964 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,2,0,0,0,0|2,0,0]=4 2965 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,2,0,0,0,0|2,0,0]=4 2966 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,2,0,0,0,0|2,0,0]=4 2967 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,2,0,0,0,0|2,0,0]=4 2969 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,2,0,0,0,0|2,0,0]=4 2970 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,2,0,0,0,0|2,0,0]=4 2971 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,2,0,0,0,0|2,0,0]=4 2972 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,2,0,0,0,0|2,0,0]=4 2973 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,2,0,0,0,0|2,0,0]=4 2974 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,2,0,0,0,0|2,0,0]=4 2975 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,2,0,0,0,0|2,0,0]=4 2976 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,2,0,0,0,0|1,0,0]=3 2977 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,2,0,0,0,0|2,0,0]=4 2979 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,2,0,0,0,0|2,0,0]=4 2980 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,2,0,0,0,0|1,0,1]=4 2981 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,2,0,0,0,0|1,0,1]=4 2982 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,2,0,0,0,0|2,0,0]=4 2983 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,2,0,0,0,0|2,0,0]=4 2984 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,2,0,0,0,0|2,0,0]=4 2985 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,2,0,0,0,0|2,0,0]=4 2986 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,2,0,0,0,0|2,0,0]=4 2987 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,2,0,0,0,0|2,0,0]=4 2988 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,2,0,0,0,0|2,0,0]=4 2989 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,2,0,0,0,0|2,0,0]=4 2990 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,2,0,0,0,0|2,0,0]=4 2991 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,2,0,0,0,0|2,0,0]=4 2992 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,2,0,0,0,0|2,0,0]=4 2993 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,2,0,0,0,0|2,0,0]=4 2994 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,2,0,0,0,0|2,0,0]=4 2995 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,2,0,0,0,0|2,0,0]=4 2996 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,2,0,0,0,0|1,0,0]=3 2997 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,2,0,0,0,0|2,0,0]=4 2998 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,2,0,0,0,0|1,0,1]=4 3001 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,2,0,0,0,0|1,0,1]=4 3002 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,2,0,0,0,0|2,0,0]=4 3003 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,2,0,0,0,0|2,0,0]=4 3004 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,2,0,0,0,0|2,0,0]=4 3005 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,2,0,0,0,0|1,0,0]=3 3006 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,2,0,0,0,0|2,0,0]=4 3007 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,2,0,0,0,0|1,0,0]=3 3008 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,2,0,0,0,0|2,0,0]=4 3009 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,2,0,0,0,0|2,0,0]=4 3010 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,2,0,0,0,0|2,0,0]=4 3011 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,2,0,0,0,0|2,0,0]=4 3012 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,2,0,0,0,0|1,0,1]=4 3013 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,2,0,0,0,0|1,0,1]=4 3014 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,2,0,0,0,0|2,0,0]=4 3015 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,2,0,0,0,0|1,0,0]=3 3016 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,2,0,0,0,0|2,0,0]=4 3017 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 3018 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 3019 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,2,0,0,0,0|2,0,0]=4 3020 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,2,0,0,0,0|1,0,0]=3 3021 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,2,0,0,0,0|1,0,0]=3 3022 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 3023 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,2,0,0,0,0|2,0,0]=4 3024 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,2,0,0,0,0|2,0,0]=4 3025 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,2,0,0,0,0|2,0,0]=4 3026 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,2,0,0,0,0|2,0,0]=4 3027 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,2,0,0,0,0|2,0,0]=4 3028 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,2,0,0,0,0|2,0,0]=4 3029 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,2,0,0,0,0|2,0,0]=4 3030 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,2,0,0,0,0|2,0,0]=4 3031 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,2,0,0,0,0|2,0,0]=4 3032 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,2,0,0,0,0|2,0,0]=4 3033 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,2,0,0,0,0|2,0,0]=4 3034 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,2,0,0,0,0|2,0,0]=4 3035 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,2,0,0,0,0|2,0,0]=4 3036 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,2,0,0,0,0|0,0,2]=4 3037 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,2,0,0,0,0|0,0,2]=4 3038 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,2,0,0,0,0|0,0,2]=4 3039 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,2,0,0,0,0|2,0,0]=4 3040 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,2,0,0,0,0|2,0,0]=4 3042 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,2,0,0,0,0|2,0,0]=4 3045 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,2,0,0,0,0|2,0,0]=4 3046 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,2,0,0,0,0|2,0,0]=4 3047 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,2,0,0,0,0|2,0,0]=4 3048 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,2,0,0,0,0|1,0,1]=4 3049 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,2,0,0,0,0|2,0,0]=4 3050 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,2,0,0,0,0|2,0,0]=4 3051 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 3052 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,0]=3 3053 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [0,2,0,0,0,0|2,0,0]=4 3054 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,2,0,0,0,0|2,0,0]=4 3055 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,2,0,0,0,0|2,0,0]=4 3056 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,2,0,0,0,0|2,0,0]=4 3057 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [0,2,0,0,0,0|2,0,0]=4 3058 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,2,0,0,0,0|2,0,0]=4 3059 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,2,0,0,0,0|2,0,0]=4 3060 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,2,0,0,0,0|2,0,0]=4 3061 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,2,0,0,0,0|1,0,0]=3 3063 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,2,0,0,0,0|1,0,0]=3 3064 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [0,2,0,0,0,0|2,0,0]=4 3065 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [0,2,0,0,0,0|2,0,0]=4 3066 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,2,0,0,0,0|1,0,0]=3 3068 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,2,0,0,0,0|0,0,1]=3 3069 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,2,0,0,0,0|2,0,0]=4 3070 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,2,0,0,0,0|1,0,1]=4 3071 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,2,0,0,0,0|2,0,0]=4 3072 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,2,0,0,0,0|2,0,0]=4 3073 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,2,0,0,0,0|2,0,0]=4 3074 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,2,0,0,0,0|2,0,0]=4 3075 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,2,0,0,0,0|2,0,0]=4 3076 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,2,0,0,0,0|2,0,0]=4 3077 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,2,0,0,0,0|1,0,0]=3 3078 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,2,0,0,0,0|0,0,0]=2 3079 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,2,0,0,0,0|1,0,0]=3 3080 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,2,0,0,0,0|1,0,0]=3 3081 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,2,0,0,0,0|0,0,1]=3 3082 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,2,0,0,0,0|0,0,1]=3 3083 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,2,0,0,0,0|1,0,1]=4 3084 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,2,0,0,0,0|1,0,1]=4 3085 B9R0.1 C[C@@H](CO)CSC[N+](=O)[O-] 62a_100000059175_100000761209 [0,2,0,0,0,0|1,0,1]=4 3086 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [0,2,0,0,0,0|1,0,1]=4 3087 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,2,0,0,0,0|1,0,1]=4 3088 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,2,0,0,0,0|1,0,1]=4 3089 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,2,0,0,0,0|1,0,1]=4 3090 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,2,0,0,0,0|1,0,1]=4 3091 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,2,0,0,0,0|1,0,1]=4 3092 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,2,0,0,0,0|1,0,0]=3 3093 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,2,0,0,0,0|1,0,0]=3 3094 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,2,0,0,0,0|1,0,0]=3 3095 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,2,0,0,0,0|1,0,0]=3 3096 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,2,0,0,0,0|1,0,0]=3 3097 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,2,0,0,0,0|1,0,1]=4 3098 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,2,0,0,0,0|1,0,1]=4 3099 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,2,0,0,0,0|1,0,0]=3 3100 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,2,0,0,0,0|1,0,0]=3 3101 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,2,0,0,0,0|1,0,0]=3 3103 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,2,0,0,0,0|1,0,0]=3 3104 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,2,0,0,0,0|2,0,0]=4 3105 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,2,0,0,0,0|1,0,0]=3 3106 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,2,0,0,0,0|1,0,0]=3 3107 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [0,2,0,0,0,0|2,0,0]=4 3108 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [0,2,0,0,0,0|2,0,0]=4 3109 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,2,0,0,0,0|1,0,0]=3 3110 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,2,0,0,0,0|1,0,0]=3 3111 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,2,0,0,0,0|1,0,1]=4 3112 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,2,0,0,0,0|1,0,1]=4 3113 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,2,0,0,0,0|1,0,1]=4 3115 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,2,0,0,0,0|0,0,0]=2 3116 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,2,0,0,0,0|1,0,0]=3 3117 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,2,0,0,0,0|0,0,0]=2 3118 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,2,0,0,0,0|0,0,1]=3 3119 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,2,0,0,0,0|1,0,1]=4 3120 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,2,0,0,0,0|0,0,1]=3 3121 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,2,0,0,0,0|0,0,1]=3 3122 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100015614560_100020667443 [0,2,0,0,0,0|1,0,1]=4 3123 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100020667443_100015614560 [0,2,0,0,0,0|1,0,1]=4 3124 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,2,0,0,0,0|0,0,1]=3 3125 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,2,0,0,0,0|0,0,1]=3 3126 B9R0.1 O=[N+]([O-])CNC[C@@H](F)CO 34a_100015665980_100000761209 [0,2,0,0,0,0|1,0,1]=4 3127 B9R0.1 O=[N+]([O-])CSCC(O)CO 62a_100011219619_100000761209 [0,2,0,0,0,0|1,0,1]=4 3128 B9R0.1 O=[N+]([O-])CSC[C@@H](O)CO 62a_100009815848_100000761209 [0,2,0,0,0,0|1,0,1]=4 3129 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,2,0,0,0,0|2,0,0]=4 3130 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,2,0,0,0,0|2,0,0]=4 3131 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,2,0,0,0,0|2,0,0]=4 3132 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,2,0,0,0,0|1,0,0]=3 3133 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,2,0,0,0,0|1,0,0]=3 3134 B9R0.5 C#CCC(=O)COCCO 1458a_100000708028_100000184674 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.5 C#CCC(=O)NCCCO 527a_100000182051_100011220946 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,2,0,0,0,0|1,0,1]=4 3137 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,2,0,0,0,0|1,0,1]=4 3138 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,2,0,0,0,0|1,0,1]=4 3139 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,2,0,0,0,0|2,0,0]=4 3141 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,2,0,0,0,0|2,0,0]=4 3142 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,2,0,0,0,0|1,0,0]=3 3143 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,2,0,0,0,0|1,0,0]=3 3144 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [0,2,0,0,0,0|2,0,0]=4 3145 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [0,2,0,0,0,0|2,0,0]=4 3146 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,2,0,0,0,0|1,0,1]=4 3148 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,2,0,0,0,0|1,0,1]=4 3149 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,2,0,0,0,0|1,0,1]=4 3150 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,2,0,0,0,0|2,0,0]=4 3151 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,2,0,0,0,0|1,0,0]=3 3152 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,2,0,0,0,0|1,0,0]=3 3153 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,2,0,0,0,0|2,0,0]=4 3154 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,2,0,0,0,0|2,0,0]=4 3155 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,2,0,0,0,0|2,0,0]=4 3156 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,2,0,0,0,0|2,0,0]=4 3157 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,2,0,0,0,0|2,0,0]=4 3158 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,2,0,0,0,0|2,0,0]=4 3159 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,2,0,0,0,0|2,0,0]=4 3160 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,2,0,0,0,0|1,0,0]=3 3161 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,2,0,0,0,0|1,0,0]=3 3162 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,2,0,0,0,0|2,0,0]=4 3163 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,2,0,0,0,0|2,0,0]=4 3164 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,2,0,0,0,0|1,0,0]=3 3165 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,2,0,0,0,0|2,0,0]=4 3166 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,2,0,0,0,0|2,0,0]=4 3167 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,2,0,0,0,0|1,0,0]=3 3168 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,2,0,0,0,0|2,0,0]=4 3169 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,2,0,0,0,0|2,0,0]=4 3170 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,2,0,0,0,0|1,0,0]=3 3171 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,2,0,0,0,0|1,0,0]=3 3172 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,2,0,0,0,0|2,0,0]=4 3173 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,2,0,0,0,0|2,0,0]=4 3175 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,2,0,0,0,0|2,0,0]=4 3176 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 3177 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,2,0,0,0,0|2,0,0]=4 3178 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,2,0,0,0,0|2,0,0]=4 3179 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,2,0,0,0,0|2,0,0]=4 3181 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,2,0,0,0,0|1,0,0]=3 3187 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,2,0,0,0,0|1,0,0]=3 3188 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 3189 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,2,0,0,0,0|2,0,0]=4 3191 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,2,0,0,0,0|1,0,0]=3 3192 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,2,0,0,0,0|1,0,0]=3 3193 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,2,0,0,0,0|1,1,0]=4 3194 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,2,0,0,0,0|1,1,0]=4 3195 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,2,0,0,0,0|1,1,0]=4 3196 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,2,0,0,0,0|1,1,0]=4 3197 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,2,0,0,0,0|1,1,0]=4 3198 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 3199 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,2,0,0,0,0|2,0,0]=4 3201 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,2,0,0,0,0|2,0,0]=4 3202 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,2,0,0,0,0|2,0,0]=4 3203 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3204 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3205 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,2,0,0,0,0|2,0,0]=4 3208 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,2,0,0,0,0|2,0,0]=4 3209 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,2,0,0,0,0|2,0,0]=4 3210 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,2,0,0,0,0|2,0,0]=4 3212 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,2,0,0,0,0|2,0,0]=4 3216 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,2,0,0,0,0|2,0,0]=4 3217 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,2,0,0,0,0|2,0,0]=4 3218 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,2,0,0,0,0|2,0,0]=4 3219 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,2,0,0,0,0|2,0,0]=4 3220 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,2,0,0,0,0|2,0,0]=4 3221 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,2,0,0,0,0|2,0,0]=4 3222 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,2,0,0,0,0|2,0,0]=4 3223 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 3224 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,2,0,0,0,0|2,0,0]=4 3225 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 3226 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,2,0,0,0,0|2,0,0]=4 3227 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,2,0,0,0,0|2,0,0]=4 3228 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,2,0,0,0,0|2,0,0]=4 3229 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,2,0,0,0,0|2,0,0]=4 3230 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,2,0,0,0,0|2,0,0]=4 3231 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,2,0,0,0,0|2,0,0]=4 3233 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,2,0,0,0,0|2,0,0]=4 3234 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,2,0,0,0,0|2,0,0]=4 3235 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,2,0,0,0,0|2,0,0]=4 3236 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,2,0,0,0,0|2,0,0]=4 3237 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,2,0,0,0,0|2,0,0]=4 3238 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,2,0,0,0,0|2,0,0]=4 3239 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,2,0,0,0,0|2,0,0]=4 3240 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,2,0,0,0,0|2,0,0]=4 3241 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,2,0,0,0,0|2,0,0]=4 3242 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,2,0,0,0,0|2,0,0]=4 3243 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,2,0,0,0,0|1,0,0]=3 3244 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,2,0,0,0,0|2,0,0]=4 3246 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,2,0,0,0,0|2,0,0]=4 3247 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,2,0,0,0,0|2,0,0]=4 3248 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,2,0,0,0,0|2,0,0]=4 3249 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,2,0,0,0,0|1,0,0]=3 3250 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,2,0,0,0,0|1,0,0]=3 3251 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,2,0,0,0,0|2,0,0]=4 3252 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,2,0,0,0,0|2,0,0]=4 3253 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,2,0,0,0,0|2,0,0]=4 3254 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,2,0,0,0,0|2,0,0]=4 3255 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,2,0,0,0,0|2,0,0]=4 3256 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,2,0,0,0,0|2,0,0]=4 3258 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [0,2,0,0,0,0|2,0,0]=4 3259 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [0,2,0,0,0,0|2,0,0]=4 3260 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,2,0,0,0,0|2,0,0]=4 3261 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,2,0,0,0,0|2,0,0]=4 3262 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,2,0,0,0,0|2,0,0]=4 3263 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,2,0,0,0,0|2,0,0]=4 3264 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,2,0,0,0,0|2,0,0]=4 3265 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,2,0,0,0,0|2,0,0]=4 3266 B9R0.5 COCC(=O)CC#CCO 1458a_100000210968_200000047223 [0,2,0,0,0,0|0,0,2]=4 3267 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,2,0,0,0,0|1,0,1]=4 3268 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,2,0,0,0,0|1,0,0]=3 3269 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,2,0,0,0,0|0,0,0]=2 3270 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3271 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3272 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3273 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,2,0,0,0,0|2,0,0]=4 3274 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,2,0,0,0,0|1,0,0]=3 3275 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,2,0,0,0,0|1,0,0]=3 3276 B9R0.5 COCC(=O)NNCCO 22a_100000210001_100000210968 [0,2,0,0,0,0|2,0,0]=4 3277 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,2,0,0,0,0|2,0,0]=4 3278 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,2,0,0,0,0|2,0,0]=4 3279 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,2,0,0,0,0|2,0,0]=4 3280 B9R0.5 COCN(C)CCCCO 2230a_100000717598_100000766300 [0,2,0,0,0,0|2,0,0]=4 3281 B9R0.5 COCN(C)CCCCO 269982a_100000717598_100000766300 [0,2,0,0,0,0|2,0,0]=4 3282 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,2,0,0,0,0|1,1,0]=4 3283 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,2,0,0,0,0|0,1,0]=3 3284 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,2,0,0,0,0|1,1,0]=4 3285 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,2,0,0,0,0|1,1,0]=4 3286 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,2,0,0,0,0|2,0,0]=4 3287 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,2,0,0,0,0|2,0,0]=4 3288 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,2,0,0,0,0|1,0,0]=3 3289 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,2,0,0,0,0|1,0,0]=3 3290 B9R0.5 N#CCC(=O)COCCO 1458a_100000708028_100011214920 [0,2,0,0,0,0|2,0,0]=4 3291 B9R0.5 N#CCC(=O)NCCCO 240690a_100000182051_100051588842 [0,2,0,0,0,0|2,0,0]=4 3292 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,2,0,0,0,0|1,0,1]=4 3293 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,2,0,0,0,0|1,0,1]=4 3294 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,2,0,0,0,0|2,0,0]=4 3295 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,2,0,0,0,0|2,0,0]=4 3296 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,2,0,0,0,0|1,0,0]=3 3297 B9R0.5 O=C(C=CBr)NCCCO 240690a_100000182051_100016273825 [0,2,0,0,0,0|2,0,0]=4 3298 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,2,0,0,0,0|2,0,0]=4 3299 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,2,0,0,0,0|1,0,0]=3 3300 B9R0.5 O=C(C=CCl)NCCCO 240690a_100000182051_200016279998 [0,2,0,0,0,0|2,0,0]=4 3301 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,2,0,0,0,0|2,0,0]=4 3302 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,2,0,0,0,0|1,0,0]=3 3303 B9R0.5 O=C(CC#CCO)CCO 1458a_100011216618_200000047223 [0,2,0,0,0,0|0,0,2]=4 3304 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,2,0,0,0,0|1,0,0]=3 3305 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,2,0,0,0,0|1,0,0]=3 3307 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,2,0,0,0,0|0,0,0]=2 3308 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,2,0,0,0,0|0,0,0]=2 3309 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,2,0,0,0,0|1,0,0]=3 3310 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,2,0,0,0,0|2,0,0]=4 3311 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,2,0,0,0,0|1,0,0]=3 3312 B9R0.5 O=C(CCO)NNCCO 22a_100000210001_100011216618 [0,2,0,0,0,0|2,0,0]=4 3313 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,2,0,0,0,0|2,0,0]=4 3314 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,2,0,0,0,0|1,0,0]=3 3315 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,2,0,0,0,0|1,0,0]=3 3316 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,2,0,0,0,0|2,0,0]=4 3317 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,2,0,0,0,0|2,0,0]=4 3319 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,2,0,0,0,0|1,0,0]=3 3320 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,2,0,0,0,0|1,0,0]=3 3321 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,2,0,0,0,0|2,0,0]=4 3322 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,2,0,0,0,0|2,0,0]=4 3323 B9R0.8 C=CC(=O)N(C)CCCO 240690a_100000213112_200121576911 [0,2,0,0,0,0|2,0,0]=4 3324 B9R0.8 CC(OCCO)C(=O)NN 34a_100000725659_100000211926 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 3330 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|2,0,0]=4 3331 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|2,0,0]=4 3332 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,2,0,0,0,0|2,0,0]=4 3333 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|1,0,0]=3 3334 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,2,0,0,0,0|2,0,0]=4 3335 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 3336 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 3337 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,2,0,0,0,0|2,0,0]=4 3338 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|2,0,0]=4 3339 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|2,0,0]=4 3341 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|2,0,0]=4 3345 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|2,0,0]=4 3346 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|2,0,0]=4 3347 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|2,0,0]=4 3348 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|2,0,0]=4 3349 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|2,0,0]=4 3350 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|2,0,0]=4 3351 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|2,0,0]=4 3352 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|2,0,0]=4 3353 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,2,0,0,0,0|1,0,0]=3 3356 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,2,0,0,0,0|1,0,0]=3 3357 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|1,0,1]=4 3358 B9R0.8 CNC(=O)C(C)NCCO 2230a_100016997473_100000731044 [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.8 CNC(=O)C(C)NCCO 34a_100016990907_100000731044 [0,2,0,0,0,0|2,0,0]=4 3360 B9R0.8 CNC(=O)C(C)SCCO 62a_100000209862_100000211926 [0,2,0,0,0,0|2,0,0]=4 3361 B9R0.8 CNC(=O)C(C)SCCO 62a_100000211926_100000731044 [0,2,0,0,0,0|2,0,0]=4 3362 B9R0.8 CNC(=O)C(F)NCCO 2230a_100016997473_100009813575 [0,2,0,0,0,0|2,0,0]=4 3363 B9R0.8 CNC(=O)C(F)NCCO 34a_100016990907_100009813575 [0,2,0,0,0,0|2,0,0]=4 3364 B9R0.8 CNC(=O)C(F)SCCO 62a_100000211926_100009813575 [0,2,0,0,0,0|2,0,0]=4 3365 B9R0.8 CNC(=O)C(F)SCCO 62a_100009813575_100000211926 [0,2,0,0,0,0|2,0,0]=4 3366 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 3367 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 3368 B9R0.8 CNC(=O)[C@@H](C)NCCO 2230a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 3369 B9R0.8 CNC(=O)[C@@H](C)NCCO 34a_100000684985_100000211926 [0,2,0,0,0,0|2,0,0]=4 3370 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|2,0,0]=4 3371 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|2,0,0]=4 3372 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,2,0,0,0,0|1,0,1]=4 3374 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,2,0,0,0,0|1,0,1]=4 3375 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|2,0,0]=4 3376 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|2,0,0]=4 3378 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 3380 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,2,0,0,0,0|2,0,0]=4 3382 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,2,0,0,0,0|2,0,0]=4 3383 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,2,0,0,0,0|2,0,0]=4 3384 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,2,0,0,0,0|1,0,0]=3 3385 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,2,0,0,0,0|1,0,0]=3 3386 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,2,0,0,0,0|2,0,0]=4 3388 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,2,0,0,0,0|1,0,0]=3 3390 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,2,0,0,0,0|2,0,0]=4 3392 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,2,0,0,0,0|1,0,0]=3 3393 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,2,0,0,0,0|1,0,0]=3 3394 B9R0.8 COC(=O)C(F)COCF 34a_200009849844_100015361967 [0,2,0,0,0,0|2,0,0]=4 3395 B9R0.8 COC(=O)[C@H](N)COCF 34a_100000003586_100015361967 [0,2,0,0,0,0|2,0,0]=4 3396 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|2,0,0]=4 3397 B9R0.24 C=CC(=O)NCC(C)CO 240690a_100000744482_200121576911 [0,2,0,0,0,0|2,0,0]=4 3398 B9R0.24 C=CC(=O)NC[C@@H](F)CO 240690a_100015665980_200121576911 [0,2,0,0,0,0|2,0,0]=4 3399 B9R0.24 C=CC(=O)NC[C@H](O)CO 240690a_100020644852_200121576911 [0,2,0,0,0,0|2,0,0]=4 3400 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,2,0,0,0,0|1,0,0]=3 3401 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,2,0,0,0,0|1,0,0]=3 3402 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|1,0,1]=4 3403 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,2,0,0,0,0|2,0,0]=4 3404 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,2,0,0,0,0|2,0,0]=4 3405 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,2,0,0,0,0|2,0,0]=4 3406 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,2,0,0,0,0|2,0,0]=4 3407 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,2,0,0,0,0|2,0,0]=4 3408 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 3409 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [0,2,0,0,0,0|2,0,0]=4 3414 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,2,0,0,0,0|2,0,0]=4 3415 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,2,0,0,0,0|2,0,0]=4 3416 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,2,0,0,0,0|2,0,0]=4 3417 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,2,0,0,0,0|2,0,0]=4 3418 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|2,0,0]=4 3426 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 3428 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|2,0,0]=4 3436 B9R0.24 CNC(=O)CNC(C)CO 2230a_100000693194_100012180447 [0,2,0,0,0,0|2,0,0]=4 3437 B9R0.24 CNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183359 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.24 CNC(=O)COC(C)CO 34a_100000750040_100012180447 [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.24 CNC(=O)CSC(C)CO 62a_100012180447_100000183359 [0,2,0,0,0,0|2,0,0]=4 3440 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100000183359_100016084084 [0,2,0,0,0,0|2,0,0]=4 3441 B9R0.24 CNC(=O)CS[C@H](C)CO 62a_100016084084_100000183359 [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.24 CNC(=O)NCC(C)CO 2708a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.24 CNC(=O)NCC(C)CO 273464a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 3444 B9R0.24 CNC(=O)NCC(C)CO 273464a_100102657272_100000744482 [0,2,0,0,0,0|2,0,0]=4 3445 B9R0.24 CNC(=O)NCC(C)CO 512a_100000744482_100102657272 [0,2,0,0,0,0|2,0,0]=4 3446 B9R0.24 CNC(=O)NCC(C)CO 512a_106832991638_100000744482 [0,2,0,0,0,0|2,0,0]=4 3447 B9R0.24 CNC(=O)NC[C@@H](F)CO 2708a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.24 CNC(=O)NC[C@@H](F)CO 273464a_100102657272_100015665980 [0,2,0,0,0,0|2,0,0]=4 3450 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_100015665980_100102657272 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.24 CNC(=O)NC[C@@H](F)CO 512a_106832991638_100015665980 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.24 CNC(=O)NC[C@H](O)CO 2708a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100020644852_100102657272 [0,2,0,0,0,0|2,0,0]=4 3454 B9R0.24 CNC(=O)NC[C@H](O)CO 273464a_100102657272_100020644852 [0,2,0,0,0,0|2,0,0]=4 3455 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,2,0,0,0,0|1,0,1]=4 3456 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|2,0,0]=4 3457 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,2,0,0,0,0|1,0,1]=4 3458 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|1,0,0]=3 3459 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|2,0,0]=4 3461 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|2,0,0]=4 3462 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|1,0,0]=3 3463 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|1,0,0]=3 3464 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|1,0,0]=3 3465 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,2,0,0,0,0|1,0,0]=3 3466 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,2,0,0,0,0|1,0,0]=3 3467 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,2,0,0,0,0|1,0,0]=3 3468 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,2,0,0,0,0|1,0,0]=3 3469 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,2,0,0,0,0|2,0,0]=4 3470 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,2,0,0,0,0|2,0,0]=4 3471 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,2,0,0,0,0|2,0,0]=4 3472 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,2,0,0,0,0|1,0,0]=3 3474 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,2,0,0,0,0|1,0,0]=3 3475 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,2,0,0,0,0|2,0,0]=4 3476 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,2,0,0,0,0|2,0,0]=4 3477 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,2,0,0,0,0|2,0,0]=4 3479 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,2,0,0,0,0|2,0,0]=4 3480 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,2,0,0,0,0|2,0,0]=4 3483 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,2,0,0,0,0|1,0,0]=3 3485 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,2,0,0,0,0|2,0,0]=4 3489 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,2,0,0,0,0|1,0,1]=4 3490 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,2,0,0,0,0|1,0,1]=4 3491 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,2,0,0,0,0|1,0,1]=4 3492 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,2,0,0,0,0|1,0,1]=4 3493 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,2,0,0,0,0|1,0,1]=4 3494 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,2,0,0,0,0|1,0,1]=4 3495 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,2,0,0,0,0|1,0,1]=4 3496 B9R0.46 C#CCOCCC(=O)CO 1458a_100000210174_100010402529 [0,2,0,0,0,0|1,0,1]=4 3497 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,2,0,0,0,0|1,0,1]=4 3498 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,2,0,0,0,0|1,0,1]=4 3499 B9R0.46 C=C(C#N)CSCCCO 62a_100011215043_100000694840 [0,2,0,0,0,0|2,0,0]=4 3500 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,2,0,0,0,0|2,0,0]=4 3501 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,2,0,0,0,0|2,0,0]=4 3502 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,2,0,0,0,0|2,0,0]=4 3503 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,2,0,0,0,0|1,0,0]=3 3504 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,2,0,0,0,0|1,0,0]=3 3505 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,2,0,0,0,0|1,0,0]=3 3508 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,2,0,0,0,0|2,0,0]=4 3509 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,2,0,0,0,0|2,0,0]=4 3510 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,2,0,0,0,0|2,0,0]=4 3511 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,2,0,0,0,0|1,0,0]=3 3512 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,2,0,0,0,0|2,0,0]=4 3513 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,2,0,0,0,0|2,0,0]=4 3514 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,2,0,0,0,0|1,0,1]=4 3515 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,2,0,0,0,0|1,0,1]=4 3516 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,2,0,0,0,0|2,0,0]=4 3517 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,2,0,0,0,0|2,0,0]=4 3518 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,2,0,0,0,0|2,0,0]=4 3519 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,2,0,0,0,0|1,0,0]=3 3521 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,2,0,0,0,0|2,0,0]=4 3522 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 3523 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,2,0,0,0,0|2,0,0]=4 3525 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,2,0,0,0,0|1,0,1]=4 3526 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,2,0,0,0,0|1,0,1]=4 3527 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,2,0,0,0,0|1,0,1]=4 3528 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,2,0,0,0,0|1,0,1]=4 3529 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,2,0,0,0,0|1,0,1]=4 3530 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,2,0,0,0,0|1,0,1]=4 3531 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,2,0,0,0,0|1,0,1]=4 3532 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,2,0,0,0,0|1,0,1]=4 3533 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,2,0,0,0,0|1,0,1]=4 3534 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,2,0,0,0,0|1,0,1]=4 3535 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,2,0,0,0,0|1,0,1]=4 3536 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,2,0,0,0,0|1,0,1]=4 3537 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,2,0,0,0,0|1,0,1]=4 3538 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,2,0,0,0,0|1,0,1]=4 3539 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,2,0,0,0,0|1,0,1]=4 3540 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,2,0,0,0,0|1,0,1]=4 3541 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,2,0,0,0,0|1,0,1]=4 3542 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,2,0,0,0,0|2,0,0]=4 3543 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,2,0,0,0,0|2,0,0]=4 3544 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,2,0,0,0,0|1,0,0]=3 3545 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,2,0,0,0,0|1,0,0]=3 3546 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,2,0,0,0,0|1,0,0]=3 3547 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,2,0,0,0,0|1,0,0]=3 3548 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,2,0,0,0,0|1,0,0]=3 3549 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,2,0,0,0,0|1,0,0]=3 3551 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,2,0,0,0,0|1,0,0]=3 3556 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,2,0,0,0,0|1,0,0]=3 3557 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,2,0,0,0,0|1,0,0]=3 3560 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,2,0,0,0,0|1,0,0]=3 3561 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,2,0,0,0,0|1,0,1]=4 3565 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,2,0,0,0,0|1,0,1]=4 3566 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,2,0,0,0,0|1,0,1]=4 3567 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,2,0,0,0,0|2,0,0]=4 3568 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,2,0,0,0,0|2,0,0]=4 3570 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,2,0,0,0,0|1,0,0]=3 3571 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,2,0,0,0,0|2,0,0]=4 3572 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,2,0,0,0,0|2,0,0]=4 3573 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,2,0,0,0,0|2,0,0]=4 3574 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,2,0,0,0,0|2,0,0]=4 3575 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,2,0,0,0,0|1,0,0]=3 3580 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,2,0,0,0,0|1,0,0]=3 3581 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,2,0,0,0,0|2,0,0]=4 3584 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,2,0,0,0,0|2,0,0]=4 3585 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,2,0,0,0,0|2,0,0]=4 3588 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,2,0,0,0,0|2,0,0]=4 3589 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,2,0,0,0,0|2,0,0]=4 3590 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,2,0,0,0,0|2,0,0]=4 3591 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,2,0,0,0,0|1,0,0]=3 3592 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,2,0,0,0,0|1,0,0]=3 3593 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,2,0,0,0,0|2,0,0]=4 3594 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,2,0,0,0,0|2,0,0]=4 3595 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,2,0,0,0,0|2,0,0]=4 3596 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,2,0,0,0,0|2,0,0]=4 3597 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,2,0,0,0,0|2,0,0]=4 3598 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,2,0,0,0,0|2,0,0]=4 3599 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,2,0,0,0,0|1,0,0]=3 3600 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,2,0,0,0,0|2,0,0]=4 3603 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,2,0,0,0,0|1,0,0]=3 3608 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,2,0,0,0,0|1,0,0]=3 3609 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,2,0,0,0,0|2,0,0]=4 3613 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,2,0,0,0,0|2,0,0]=4 3614 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,2,0,0,0,0|2,0,0]=4 3615 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,2,0,0,0,0|2,0,0]=4 3616 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,2,0,0,0,0|2,0,0]=4 3619 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,2,0,0,0,0|1,0,0]=3 3620 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,2,0,0,0,0|1,0,0]=3 3621 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,2,0,0,0,0|2,0,0]=4 3622 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,2,0,0,0,0|2,0,0]=4 3623 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,2,0,0,0,0|2,0,0]=4 3624 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,2,0,0,0,0|1,0,0]=3 3626 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,2,0,0,0,0|1,0,0]=3 3629 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,2,0,0,0,0|1,0,0]=3 3632 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,2,0,0,0,0|1,0,0]=3 3633 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,2,0,0,0,0|2,0,0]=4 3634 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,2,0,0,0,0|2,0,0]=4 3636 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,2,0,0,0,0|1,0,0]=3 3638 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,2,0,0,0,0|2,0,0]=4 3639 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,2,0,0,0,0|1,0,0]=3 3640 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,2,0,0,0,0|2,0,0]=4 3641 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,2,0,0,0,0|2,0,0]=4 3642 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,2,0,0,0,0|1,0,0]=3 3643 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,2,0,0,0,0|2,0,0]=4 3644 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,2,0,0,0,0|2,0,0]=4 3647 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,2,0,0,0,0|2,0,0]=4 3651 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,2,0,0,0,0|1,0,0]=3 3652 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,2,0,0,0,0|1,0,0]=3 3653 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,2,0,0,0,0|1,0,0]=3 3656 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,2,0,0,0,0|2,0,0]=4 3659 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,2,0,0,0,0|2,0,0]=4 3660 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,2,0,0,0,0|2,0,0]=4 3661 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,2,0,0,0,0|1,0,0]=3 3663 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,2,0,0,0,0|1,0,0]=3 3664 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,2,0,0,0,0|1,0,0]=3 3665 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,2,0,0,0,0|1,0,0]=3 3666 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,2,0,0,0,0|2,0,0]=4 3667 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,2,0,0,0,0|2,0,0]=4 3668 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,2,0,0,0,0|2,0,0]=4 3669 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,2,0,0,0,0|2,0,0]=4 3670 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,2,0,0,0,0|1,0,0]=3 3671 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,2,0,0,0,0|1,0,0]=3 3672 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,2,0,0,0,0|1,0,0]=3 3673 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,2,0,0,0,0|2,0,0]=4 3674 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,2,0,0,0,0|2,0,0]=4 3675 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,2,0,0,0,0|1,0,0]=3 3676 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,2,0,0,0,0|1,0,0]=3 3677 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,2,0,0,0,0|2,0,0]=4 3678 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,2,0,0,0,0|2,0,0]=4 3679 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,2,0,0,0,0|2,0,0]=4 3680 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,2,0,0,0,0|2,0,0]=4 3681 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,2,0,0,0,0|2,0,0]=4 3682 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,2,0,0,0,0|1,0,0]=3 3683 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,2,0,0,0,0|2,0,0]=4 3684 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,2,0,0,0,0|2,0,0]=4 3685 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,2,0,0,0,0|2,0,0]=4 3686 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,2,0,0,0,0|2,0,0]=4 3687 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,2,0,0,0,0|2,0,0]=4 3688 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,2,0,0,0,0|2,0,0]=4 3689 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,2,0,0,0,0|1,0,0]=3 3691 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,2,0,0,0,0|2,0,0]=4 3692 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,2,0,0,0,0|2,0,0]=4 3693 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,2,0,0,0,0|2,0,0]=4 3694 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,2,0,0,0,0|2,0,0]=4 3695 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,2,0,0,0,0|2,0,0]=4 3696 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,2,0,0,0,0|2,0,0]=4 3697 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,2,0,0,0,0|2,0,0]=4 3698 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,2,0,0,0,0|2,0,0]=4 3699 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,2,0,0,0,0|2,0,0]=4 3700 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,2,0,0,0,0|1,0,0]=3 3701 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,2,0,0,0,0|1,0,0]=3 3702 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,2,0,0,0,0|2,0,0]=4 3703 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,2,0,0,0,0|2,0,0]=4 3704 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,2,0,0,0,0|1,0,0]=3 3705 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,2,0,0,0,0|1,0,0]=3 3706 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,2,0,0,0,0|1,0,0]=3 3707 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,2,0,0,0,0|1,0,0]=3 3708 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,2,0,0,0,0|1,0,0]=3 3709 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,2,0,0,0,0|1,0,0]=3 3710 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,2,0,0,0,0|2,0,0]=4 3711 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,2,0,0,0,0|2,0,0]=4 3712 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,2,0,0,0,0|2,0,0]=4 3713 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,2,0,0,0,0|2,0,0]=4 3714 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,2,0,0,0,0|2,0,0]=4 3715 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,2,0,0,0,0|1,0,0]=3 3716 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,2,0,0,0,0|1,0,0]=3 3717 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,2,0,0,0,0|1,0,0]=3 3718 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,2,0,0,0,0|2,0,0]=4 3719 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,2,0,0,0,0|2,0,0]=4 3720 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,2,0,0,0,0|2,0,0]=4 3721 B9R0.46 COC(=O)C=NNCCO 4a_100000210001_200011823558 [0,2,0,0,0,0|1,0,1]=4 3722 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,2,0,0,0,0|0,0,0]=2 3723 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,2,0,0,0,0|0,0,0]=2 3724 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,2,0,0,0,0|0,1,0]=3 3725 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,2,0,0,0,0|0,1,0]=3 3726 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,2,0,0,0,0|0,1,0]=3 3727 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,2,0,0,0,0|0,1,0]=3 3728 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,2,0,0,0,0|1,0,0]=3 3729 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,2,0,0,0,0|1,0,0]=3 3730 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,2,0,0,0,0|1,0,0]=3 3731 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,2,0,0,0,0|0,0,0]=2 3732 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,2,0,0,0,0|0,0,0]=2 3733 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,2,0,0,0,0|1,0,0]=3 3734 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,2,0,0,0,0|1,0,0]=3 3735 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,2,0,0,0,0|1,0,1]=4 3736 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,2,0,0,0,0|1,0,1]=4 3737 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,2,0,0,0,0|0,0,2]=4 3738 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,2,0,0,0,0|0,0,2]=4 3739 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,2,0,0,0,0|1,0,0]=3 3740 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,2,0,0,0,0|1,0,0]=3 3741 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,2,0,0,0,0|0,0,0]=2 3742 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,2,0,0,0,0|0,0,0]=2 3743 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,2,0,0,0,0|1,1,0]=4 3744 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,2,0,0,0,0|1,1,0]=4 3745 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,2,0,0,0,0|1,0,0]=3 3746 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,2,0,0,0,0|1,0,0]=3 3747 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,2,0,0,0,0|1,1,0]=4 3748 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,2,0,0,0,0|1,0,0]=3 3749 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,2,0,0,0,0|1,0,0]=3 3750 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,2,0,0,0,0|1,0,0]=3 3751 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,2,0,0,0,0|1,0,0]=3 3752 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,2,0,0,0,0|1,0,0]=3 3753 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,2,0,0,0,0|1,1,0]=4 3754 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,2,0,0,0,0|1,1,0]=4 3755 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,2,0,0,0,0|1,1,0]=4 3756 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,2,0,0,0,0|1,1,0]=4 3757 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,2,0,0,0,0|1,1,0]=4 3758 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,2,0,0,0,0|1,1,0]=4 3759 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,2,0,0,0,0|1,0,1]=4 3760 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,2,0,0,0,0|1,0,1]=4 3761 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,2,0,0,0,0|1,0,0]=3 3762 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,2,0,0,0,0|1,0,0]=3 3763 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,2,0,0,0,0|0,0,0]=2 3764 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,2,0,0,0,0|0,0,0]=2 3765 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,2,0,0,0,0|1,1,0]=4 3766 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,2,0,0,0,0|1,1,0]=4 3767 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,2,0,0,0,0|2,0,0]=4 3768 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,2,0,0,0,0|2,0,0]=4 3769 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,2,0,0,0,0|2,0,0]=4 3770 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,2,0,0,0,0|1,0,0]=3 3771 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,2,0,0,0,0|1,0,1]=4 3772 B9R0.46 COC(C)COCCCO 34a_100000690652_100000230001 [0,2,0,0,0,0|1,0,1]=4 3773 B9R0.46 COC(C)SCCCCO 62a_100000210776_100009879195 [0,2,0,0,0,0|1,0,1]=4 3774 B9R0.46 COC(C)SCCCCO 62a_100009879195_100000210776 [0,2,0,0,0,0|1,0,1]=4 3775 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,2,0,0,0,0|0,0,0]=2 3776 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,2,0,0,0,0|0,0,0]=2 3777 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,2,0,0,0,0|0,0,0]=2 3778 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,2,0,0,0,0|0,0,0]=2 3779 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,2,0,0,0,0|1,0,0]=3 3780 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,2,0,0,0,0|1,0,0]=3 3781 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,2,0,0,0,0|1,0,0]=3 3782 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,2,0,0,0,0|2,0,0]=4 3783 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,2,0,0,0,0|2,0,0]=4 3784 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,2,0,0,0,0|1,0,0]=3 3785 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,2,0,0,0,0|1,0,0]=3 3786 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,2,0,0,0,0|1,0,0]=3 3787 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,2,0,0,0,0|1,0,0]=3 3788 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,2,0,0,0,0|1,0,0]=3 3789 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,2,0,0,0,0|1,0,0]=3 3790 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,2,0,0,0,0|2,0,0]=4 3791 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,2,0,0,0,0|1,0,1]=4 3792 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,2,0,0,0,0|1,1,0]=4 3793 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,2,0,0,0,0|1,1,0]=4 3794 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,2,0,0,0,0|1,0,1]=4 3795 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,2,0,0,0,0|1,0,1]=4 3796 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,2,0,0,0,0|1,0,1]=4 3797 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,2,0,0,0,0|1,0,1]=4 3798 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,2,0,0,0,0|1,0,1]=4 3799 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,2,0,0,0,0|1,0,0]=3 3800 B9R0.46 N#CCOCCC(=O)CO 1458a_100000210174_200000047693 [0,2,0,0,0,0|1,0,1]=4 3801 B9R0.46 NC(=NO)CCOCCF 34a_100000749954_100011217306 [0,2,0,0,0,0|2,0,0]=4 3802 B9R0.46 NC(=NO)CCOCCO 34a_100000749954_100000211926 [0,2,0,0,0,0|1,0,0]=3 3803 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,2,0,0,0,0|2,0,0]=4 3804 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,2,0,0,0,0|1,0,0]=3 3805 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,2,0,0,0,0|1,0,0]=3 3806 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,2,0,0,0,0|1,0,0]=3 3807 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,2,0,0,0,0|0,0,0]=2 3808 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,2,0,0,0,0|0,0,0]=2 3809 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,2,0,0,0,0|0,0,0]=2 3810 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,2,0,0,0,0|0,0,0]=2 3811 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,2,0,0,0,0|1,0,1]=4 3812 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,2,0,0,0,0|0,0,2]=4 3813 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,2,0,0,0,0|0,0,2]=4 3814 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,2,0,0,0,0|0,0,2]=4 3815 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,2,0,0,0,0|1,0,1]=4 3816 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,2,0,0,0,0|1,0,1]=4 3817 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,2,0,0,0,0|0,0,2]=4 3818 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,2,0,0,0,0|0,0,2]=4 3819 B9R0.47 C#CCCCC(=O)C(O)O 1458a_100000233687_100000731252 [0,2,0,0,0,0|1,0,1]=4 3820 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,2,0,0,0,0|1,0,1]=4 3821 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,2,0,0,0,0|1,0,1]=4 3822 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,2,0,0,0,0|1,0,1]=4 3823 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,2,0,0,0,0|1,0,1]=4 3824 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,2,0,0,0,0|1,0,1]=4 3825 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,2,0,0,0,0|1,0,0]=3 3828 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,2,0,0,0,0|2,0,0]=4 3829 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,2,0,0,0,0|1,0,1]=4 3830 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,2,0,0,0,0|1,0,1]=4 3831 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,2,0,0,0,0|1,0,1]=4 3832 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,2,0,0,0,0|1,0,1]=4 3833 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,2,0,0,0,0|1,0,1]=4 3834 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,2,0,0,0,0|1,0,1]=4 3835 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,2,0,0,0,0|1,0,1]=4 3836 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,2,0,0,0,0|1,0,1]=4 3837 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,2,0,0,0,0|1,0,1]=4 3838 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,2,0,0,0,0|2,0,0]=4 3839 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,2,0,0,0,0|2,0,0]=4 3840 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,2,0,0,0,0|1,0,0]=3 3841 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,2,0,0,0,0|1,0,0]=3 3842 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,2,0,0,0,0|2,0,0]=4 3843 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,2,0,0,0,0|2,0,0]=4 3844 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,2,0,0,0,0|1,0,0]=3 3845 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,2,0,0,0,0|2,0,0]=4 3846 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,2,0,0,0,0|2,0,0]=4 3847 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,2,0,0,0,0|1,0,0]=3 3848 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,2,0,0,0,0|1,0,0]=3 3849 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,2,0,0,0,0|1,0,0]=3 3850 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,2,0,0,0,0|2,0,0]=4 3851 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|1,0,0]=3 3852 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|1,0,0]=3 3853 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|2,0,0]=4 3856 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|2,0,0]=4 3857 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|2,0,0]=4 3858 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 3859 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,2,0,0,0,0|2,0,0]=4 3860 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,2,0,0,0,0|1,0,1]=4 3861 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,2,0,0,0,0|0,0,2]=4 3862 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,2,0,0,0,0|1,0,0]=3 3863 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,2,0,0,0,0|0,0,0]=2 3864 B9R0.47 CC(COCCO)[N+](=O)[O-] 34a_100000039676_100000211926 [0,2,0,0,0,0|1,0,1]=4 3865 B9R0.47 CC(COCCO)[N+](=O)[O-] 7a_100000039676_100000211926 [0,2,0,0,0,0|1,0,1]=4 3866 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|1,0,0]=3 3868 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 3869 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,2,0,0,0,0|2,0,0]=4 3870 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,2,0,0,0,0|2,0,0]=4 3871 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,2,0,0,0,0|2,0,0]=4 3872 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,2,0,0,0,0|2,0,0]=4 3873 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,2,0,0,0,0|2,0,0]=4 3874 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,2,0,0,0,0|2,0,0]=4 3875 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,2,0,0,0,0|2,0,0]=4 3876 B9R0.47 CC(OCCON)C(=O)N 34a_100000700252_100000702099 [0,2,0,0,0,0|2,0,0]=4 3877 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,2,0,0,0,0|2,0,0]=4 3878 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,2,0,0,0,0|2,0,0]=4 3879 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,2,0,0,0,0|1,0,0]=3 3880 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,2,0,0,0,0|1,0,0]=3 3881 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,2,0,0,0,0|2,0,0]=4 3883 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,2,0,0,0,0|2,0,0]=4 3884 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,2,0,0,0,0|1,0,0]=3 3885 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 3888 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 3889 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|1,0,0]=3 3890 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|1,0,0]=3 3891 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,2,0,0,0,0|2,0,0]=4 3892 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,2,0,0,0,0|2,0,0]=4 3893 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,2,0,0,0,0|2,0,0]=4 3894 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 3895 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 3896 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 3897 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,2,0,0,0,0|2,0,0]=4 3898 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,2,0,0,0,0|2,0,0]=4 3899 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|2,0,0]=4 3900 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|2,0,0]=4 3901 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|2,0,0]=4 3902 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,2,0,0,0,0|2,0,0]=4 3903 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,2,0,0,0,0|2,0,0]=4 3904 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,2,0,0,0,0|2,0,0]=4 3905 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,2,0,0,0,0|2,0,0]=4 3906 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,2,0,0,0,0|2,0,0]=4 3907 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,2,0,0,0,0|2,0,0]=4 3908 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,2,0,0,0,0|1,0,0]=3 3909 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,2,0,0,0,0|2,0,0]=4 3910 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,2,0,0,0,0|2,0,0]=4 3911 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,2,0,0,0,0|2,0,0]=4 3912 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,2,0,0,0,0|2,0,0]=4 3913 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,2,0,0,0,0|2,0,0]=4 3914 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,2,0,0,0,0|2,0,0]=4 3915 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,2,0,0,0,0|2,0,0]=4 3916 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,2,0,0,0,0|2,0,0]=4 3917 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,2,0,0,0,0|1,0,1]=4 3918 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,2,0,0,0,0|1,0,1]=4 3919 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,2,0,0,0,0|2,0,0]=4 3920 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,2,0,0,0,0|2,0,0]=4 3921 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,2,0,0,0,0|2,0,0]=4 3922 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,2,0,0,0,0|2,0,0]=4 3923 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,2,0,0,0,0|2,0,0]=4 3924 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,2,0,0,0,0|2,0,0]=4 3925 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,2,0,0,0,0|2,0,0]=4 3926 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,2,0,0,0,0|2,0,0]=4 3927 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,2,0,0,0,0|2,0,0]=4 3928 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,2,0,0,0,0|2,0,0]=4 3929 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,2,0,0,0,0|1,0,1]=4 3930 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,2,0,0,0,0|1,0,1]=4 3931 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,2,0,0,0,0|1,0,0]=3 3932 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,2,0,0,0,0|1,0,0]=3 3933 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,2,0,0,0,0|2,0,0]=4 3934 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,2,0,0,0,0|2,0,0]=4 3935 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,2,0,0,0,0|2,0,0]=4 3936 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,2,0,0,0,0|2,0,0]=4 3937 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|2,0,0]=4 3938 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|2,0,0]=4 3939 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,2,0,0,0,0|2,0,0]=4 3940 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,2,0,0,0,0|2,0,0]=4 3941 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,2,0,0,0,0|2,0,0]=4 3942 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,2,0,0,0,0|2,0,0]=4 3943 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,2,0,0,0,0|1,0,0]=3 3944 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,2,0,0,0,0|2,0,0]=4 3945 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,2,0,0,0,0|2,0,0]=4 3946 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,2,0,0,0,0|2,0,0]=4 3947 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 3948 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 3949 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 3950 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,2,0,0,0,0|2,0,0]=4 3951 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,2,0,0,0,0|2,0,0]=4 3952 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|2,0,0]=4 3953 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|2,0,0]=4 3954 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 3955 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 3956 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 3957 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,2,0,0,0,0|2,0,0]=4 3958 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,2,0,0,0,0|2,0,0]=4 3959 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,2,0,0,0,0|2,0,0]=4 3960 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,2,0,0,0,0|2,0,0]=4 3961 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,2,0,0,0,0|1,0,0]=3 3962 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,2,0,0,0,0|2,0,0]=4 3963 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,2,0,0,0,0|2,0,0]=4 3964 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,2,0,0,0,0|2,0,0]=4 3965 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,2,0,0,0,0|2,0,0]=4 3966 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,2,0,0,0,0|2,0,0]=4 3967 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,2,0,0,0,0|1,0,1]=4 3968 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,2,0,0,0,0|1,0,1]=4 3969 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,2,0,0,0,0|2,0,0]=4 3970 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,2,0,0,0,0|2,0,0]=4 3972 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,2,0,0,0,0|2,0,0]=4 3973 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,2,0,0,0,0|2,0,0]=4 3974 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,2,0,0,0,0|2,0,0]=4 3975 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,2,0,0,0,0|2,0,0]=4 3976 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,2,0,0,0,0|2,0,0]=4 3977 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,2,0,0,0,0|1,0,1]=4 3978 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,2,0,0,0,0|1,0,1]=4 3979 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,2,0,0,0,0|1,0,0]=3 3980 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,2,0,0,0,0|1,0,0]=3 3981 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,2,0,0,0,0|1,1,0]=4 3982 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,2,0,0,0,0|1,1,0]=4 3983 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,2,0,0,0,0|1,1,0]=4 3984 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,2,0,0,0,0|2,0,0]=4 3985 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,2,0,0,0,0|2,0,0]=4 3986 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,2,0,0,0,0|1,0,0]=3 3987 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,2,0,0,0,0|1,0,0]=3 3988 B9R0.47 C[C@@H](O)C(=O)CC#CCO 1458a_100000717761_200000047223 [0,2,0,0,0,0|0,0,2]=4 3989 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,2,0,0,0,0|1,0,1]=4 3990 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|1,0,0]=3 3991 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|0,0,0]=2 3992 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,2,0,0,0,0|2,0,0]=4 3993 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,2,0,0,0,0|1,0,0]=3 3994 B9R0.47 C[C@@H](O)C(=O)NNCCO 22a_100000210001_100000717761 [0,2,0,0,0,0|2,0,0]=4 3995 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,2,0,0,0,0|2,0,0]=4 3996 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,2,0,0,0,0|2,0,0]=4 3997 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,2,0,0,0,0|1,0,0]=3 3998 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,2,0,0,0,0|1,0,0]=3 3999 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,2,0,0,0,0|1,0,1]=4 4000 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,2,0,0,0,0|1,0,0]=3 4001 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,2,0,0,0,0|0,0,0]=2 4002 B9R0.47 C[C@H](O)C(=O)CC#CCO 1458a_217856618621_200000047223 [0,2,0,0,0,0|0,0,2]=4 4003 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,2,0,0,0,0|1,0,1]=4 4004 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|1,0,0]=3 4005 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|0,0,0]=2 4006 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,2,0,0,0,0|2,0,0]=4 4007 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,2,0,0,0,0|2,0,0]=4 4008 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,2,0,0,0,0|1,0,0]=3 4009 B9R0.47 C[C@H](O)C(=O)NNCCO 22a_100000210001_217856618621 [0,2,0,0,0,0|2,0,0]=4 4010 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,2,0,0,0,0|1,0,1]=4 4011 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,2,0,0,0,0|0,0,1]=3 4012 B9R0.47 N#CCCCC(=O)C(O)O 1458a_100000233687_100000211468 [0,2,0,0,0,0|1,0,1]=4 4013 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,2,0,0,0,0|1,0,1]=4 4014 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,2,0,0,0,0|1,0,1]=4 4015 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,2,0,0,0,0|2,0,0]=4 4016 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,2,0,0,0,0|2,0,0]=4 4017 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,2,0,0,0,0|2,0,0]=4 4018 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,2,0,0,0,0|2,0,0]=4 4019 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,2,0,0,0,0|2,0,0]=4 4020 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,2,0,0,0,0|2,0,0]=4 4021 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,2,0,0,0,0|2,0,0]=4 4022 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,2,0,0,0,0|1,0,0]=3 4023 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,2,0,0,0,0|1,0,0]=3 4024 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,2,0,0,0,0|2,0,0]=4 4025 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,2,0,0,0,0|1,0,0]=3 4026 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,2,0,0,0,0|2,0,0]=4 4027 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,2,0,0,0,0|1,0,1]=4 4028 B9R0.47 NOCCOC(F)C(=O)N 34a_100000700252_100009813875 [0,2,0,0,0,0|2,0,0]=4 4029 B9R0.47 NOCCOC(F)C(=O)[O-] 34a_100000700252_100020610796 [0,2,0,0,0,0|1,0,1]=4 4030 B9R0.47 O=C(CC#CCO)C(O)O 1458a_100000233687_200000047223 [0,2,0,0,0,0|0,0,2]=4 4031 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,2,0,0,0,0|1,0,0]=3 4032 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,2,0,0,0,0|0,0,0]=2 4033 B9R0.47 O=C(NCCCF)C(O)O 240690a_100015189416_100000233687 [0,2,0,0,0,0|2,0,0]=4 4034 B9R0.47 O=C(NCCCO)C(F)F 240690a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 4035 B9R0.47 O=C(NCCCO)C(F)F 527a_100000182051_100000210393 [0,2,0,0,0,0|2,0,0]=4 4036 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,2,0,0,0,0|1,0,0]=3 4037 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,2,0,0,0,0|1,0,0]=3 4038 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,2,0,0,0,0|0,0,0]=2 4039 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,2,0,0,0,0|1,0,1]=4 4040 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,2,0,0,0,0|1,0,1]=4 4041 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,2,0,0,0,0|1,0,1]=4 4042 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,2,0,0,0,0|1,0,1]=4 4043 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,2,0,0,0,0|1,0,1]=4 4044 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,2,0,0,0,0|1,0,1]=4 4045 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,2,0,0,0,0|0,0,1]=3 4046 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,2,0,0,0,0|0,0,1]=3 4047 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,2,0,0,0,0|0,0,2]=4 4048 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,2,0,0,0,0|2,0,0]=4 4049 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,2,0,0,0,0|2,0,0]=4 4050 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,2,0,0,0,0|2,0,0]=4 4051 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,2,0,0,0,0|2,0,0]=4 4052 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,2,0,0,0,0|2,0,0]=4 4053 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,2,0,0,0,0|2,0,0]=4 4054 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,2,0,0,0,0|2,0,0]=4 4055 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [0,2,0,0,0,0|2,0,0]=4 4056 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [0,2,0,0,0,0|2,0,0]=4 4057 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,2,0,0,0,0|1,0,0]=3 4058 B9R0.2 C#CCCCNCC(=O)[O-] 34a_100000718082_100020667443 [0,2,0,0,0,0|1,0,1]=4 4059 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,2,0,0,0,0|2,0,0]=4 4060 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,2,0,0,0,0|2,0,0]=4 4061 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,2,0,0,0,0|2,0,0]=4 4062 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,2,0,0,0,0|1,0,1]=4 4063 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [0,2,0,0,0,0|2,0,0]=4 4064 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [0,2,0,0,0,0|2,0,0]=4 4065 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100011215417_100020667443 [0,2,0,0,0,0|1,0,1]=4 4066 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100020667443_100011215417 [0,2,0,0,0,0|1,0,1]=4 4067 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,2,0,0,0,0|2,0,0]=4 4068 B9R0.2 C#CCCNOCC(=O)O 269956a_100000106656_100000688953 [0,2,0,0,0,0|1,0,1]=4 4069 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,2,0,0,0,0|2,0,0]=4 4070 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,2,0,0,0,0|2,0,0]=4 4071 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [0,2,0,0,0,0|2,0,0]=4 4072 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [0,2,0,0,0,0|2,0,0]=4 4073 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [0,2,0,0,0,0|2,0,0]=4 4074 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,2,0,0,0,0|2,0,0]=4 4075 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,2,0,0,0,0|2,0,0]=4 4076 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [0,2,0,0,0,0|2,0,0]=4 4077 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [0,2,0,0,0,0|2,0,0]=4 4078 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [0,2,0,0,0,0|2,0,0]=4 4080 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [0,2,0,0,0,0|2,0,0]=4 4081 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,2,0,0,0,0|2,0,0]=4 4082 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,2,0,0,0,0|2,0,0]=4 4086 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [0,2,0,0,0,0|2,0,0]=4 4087 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,2,0,0,0,0|2,0,0]=4 4088 B9R0.2 C=C(Br)CCOCCOC 34a_100009813270_100011201679 [0,2,0,0,0,0|2,0,0]=4 4089 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,2,0,0,0,0|2,0,0]=4 4090 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,2,0,0,0,0|2,0,0]=4 4091 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,2,0,0,0,0|2,0,0]=4 4092 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,2,0,0,0,0|2,0,0]=4 4093 B9R0.2 C=C(C)CCOCCON 34a_100000700252_100000730704 [0,2,0,0,0,0|2,0,0]=4 4094 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,2,0,0,0,0|2,0,0]=4 4095 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,2,0,0,0,0|2,0,0]=4 4096 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,2,0,0,0,0|2,0,0]=4 4097 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,2,0,0,0,0|2,0,0]=4 4098 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,2,0,0,0,0|2,0,0]=4 4099 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,2,0,0,0,0|2,0,0]=4 4100 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,2,0,0,0,0|2,0,0]=4 4101 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,2,0,0,0,0|2,0,0]=4 4102 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,2,0,0,0,0|2,0,0]=4 4103 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,2,0,0,0,0|2,0,0]=4 4104 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,2,0,0,0,0|2,0,0]=4 4105 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,2,0,0,0,0|2,0,0]=4 4106 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,2,0,0,0,0|2,0,0]=4 4107 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,2,0,0,0,0|2,0,0]=4 4108 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,2,0,0,0,0|2,0,0]=4 4109 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,2,0,0,0,0|2,0,0]=4 4110 B9R0.2 C=C(F)CNCCCOC 34a_100150723488_100009893438 [0,2,0,0,0,0|2,0,0]=4 4111 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,2,0,0,0,0|2,0,0]=4 4112 B9R0.2 C=C(F)COCCCOC 34a_100000740835_100009893438 [0,2,0,0,0,0|2,0,0]=4 4113 B9R0.2 C=C(F)COCCCOC 34a_200010262243_100000740836 [0,2,0,0,0,0|2,0,0]=4 4114 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,2,0,0,0,0|2,0,0]=4 4115 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,2,0,0,0,0|2,0,0]=4 4116 B9R0.2 C=C(F)CSCCCOC 62a_100000042424_100000709357 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.2 C=C(F)CSCCCOC 62a_100000709357_100000042424 [0,2,0,0,0,0|2,0,0]=4 4118 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,2,0,0,0,0|2,0,0]=4 4119 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,2,0,0,0,0|2,0,0]=4 4120 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,2,0,0,0,0|2,0,0]=4 4121 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,2,0,0,0,0|2,0,0]=4 4122 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,2,0,0,0,0|2,0,0]=4 4123 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,2,0,0,0,0|2,0,0]=4 4124 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,2,0,0,0,0|2,0,0]=4 4125 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,2,0,0,0,0|2,0,0]=4 4126 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,2,0,0,0,0|2,0,0]=4 4127 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,2,0,0,0,0|2,0,0]=4 4128 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,2,0,0,0,0|1,0,0]=3 4129 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,2,0,0,0,0|1,0,1]=4 4130 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,2,0,0,0,0|2,0,0]=4 4132 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,2,0,0,0,0|1,0,1]=4 4134 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,2,0,0,0,0|2,0,0]=4 4135 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,2,0,0,0,0|2,0,0]=4 4136 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,2,0,0,0,0|1,0,1]=4 4137 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,2,0,0,0,0|1,0,1]=4 4138 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,2,0,0,0,0|2,0,0]=4 4139 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,2,0,0,0,0|1,0,1]=4 4140 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,2,0,0,0,0|2,0,0]=4 4141 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,2,0,0,0,0|2,0,0]=4 4144 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,2,0,0,0,0|2,0,0]=4 4145 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,2,0,0,0,0|2,0,0]=4 4146 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,2,0,0,0,0|2,0,0]=4 4147 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,2,0,0,0,0|2,0,0]=4 4148 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,2,0,0,0,0|2,0,0]=4 4149 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,2,0,0,0,0|2,0,0]=4 4150 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,2,0,0,0,0|2,0,0]=4 4151 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,2,0,0,0,0|2,0,0]=4 4152 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,2,0,0,0,0|2,0,0]=4 4154 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,2,0,0,0,0|2,0,0]=4 4155 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,2,0,0,0,0|2,0,0]=4 4156 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,2,0,0,0,0|2,0,0]=4 4158 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [0,2,0,0,0,0|2,0,0]=4 4159 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [0,2,0,0,0,0|2,0,0]=4 4160 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [0,2,0,0,0,0|2,0,0]=4 4161 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [0,2,0,0,0,0|2,0,0]=4 4162 B9R0.2 C=COCCNCC(=O)N 2230a_100000711301_100000039644 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [0,2,0,0,0,0|1,0,0]=3 4164 B9R0.2 C=COCCOCC(=O)C 34a_100000211253_100000039644 [0,2,0,0,0,0|2,0,0]=4 4165 B9R0.2 C=COCCOCC(=O)N 34a_100000033082_100000187820 [0,2,0,0,0,0|2,0,0]=4 4166 B9R0.2 C=COCCOCC(=O)[O-] 34a_100000033082_100020667443 [0,2,0,0,0,0|1,0,1]=4 4167 B9R0.2 C=COCCSCC(=O)N 62a_100000039644_100000747473 [0,2,0,0,0,0|2,0,0]=4 4168 B9R0.2 C=COCCSCC(=O)N 62a_100000747473_100000039644 [0,2,0,0,0,0|2,0,0]=4 4169 B9R0.2 C=COCCSCC(=O)[O-] 62a_100000039644_100020667443 [0,2,0,0,0,0|1,0,1]=4 4170 B9R0.2 C=COCCSCC(=O)[O-] 62a_100020667443_100000039644 [0,2,0,0,0,0|1,0,1]=4 4171 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [0,2,0,0,0,0|2,0,0]=4 4172 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [0,2,0,0,0,0|2,0,0]=4 4173 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [0,2,0,0,0,0|2,0,0]=4 4174 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [0,2,0,0,0,0|2,0,0]=4 4175 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [0,2,0,0,0,0|2,0,0]=4 4176 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [0,2,0,0,0,0|2,0,0]=4 4177 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [0,2,0,0,0,0|2,0,0]=4 4178 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [0,2,0,0,0,0|2,0,0]=4 4179 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,2,0,0,0,0|2,0,0]=4 4180 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,2,0,0,0,0|2,0,0]=4 4181 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,2,0,0,0,0|1,0,0]=3 4182 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,2,0,0,0,0|1,0,0]=3 4183 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,2,0,0,0,0|2,0,0]=4 4184 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,2,0,0,0,0|1,1,0]=4 4185 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,2,0,0,0,0|1,1,0]=4 4186 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,2,0,0,0,0|2,0,0]=4 4187 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,2,0,0,0,0|1,0,0]=3 4188 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,2,0,0,0,0|2,0,0]=4 4189 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,2,0,0,0,0|1,0,1]=4 4190 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,2,0,0,0,0|1,0,1]=4 4191 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,2,0,0,0,0|2,0,0]=4 4192 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,2,0,0,0,0|2,0,0]=4 4193 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,2,0,0,0,0|2,0,0]=4 4194 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,2,0,0,0,0|2,0,0]=4 4195 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,2,0,0,0,0|1,0,0]=3 4196 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,2,0,0,0,0|1,0,0]=3 4197 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,2,0,0,0,0|2,0,0]=4 4198 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,2,0,0,0,0|2,0,0]=4 4199 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,2,0,0,0,0|1,0,1]=4 4200 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,2,0,0,0,0|1,0,1]=4 4201 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,2,0,0,0,0|2,0,0]=4 4202 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,2,0,0,0,0|2,0,0]=4 4203 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,2,0,0,0,0|1,0,0]=3 4204 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,2,0,0,0,0|1,0,0]=3 4205 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,2,0,0,0,0|2,0,0]=4 4206 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,2,0,0,0,0|2,0,0]=4 4207 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,2,0,0,0,0|2,0,0]=4 4208 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,2,0,0,0,0|1,0,0]=3 4209 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,2,0,0,0,0|1,0,0]=3 4210 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,2,0,0,0,0|2,0,0]=4 4211 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,2,0,0,0,0|2,0,0]=4 4212 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,2,0,0,0,0|2,0,0]=4 4213 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,2,0,0,0,0|2,0,0]=4 4214 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,2,0,0,0,0|1,0,0]=3 4215 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,2,0,0,0,0|1,0,0]=3 4216 B9R0.2 CC(=O)COCC#CCO 34a_100000211253_200000047223 [0,2,0,0,0,0|1,0,1]=4 4217 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,2,0,0,0,0|2,0,0]=4 4218 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,2,0,0,0,0|1,0,0]=3 4219 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,2,0,0,0,0|2,0,0]=4 4220 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,2,0,0,0,0|2,0,0]=4 4222 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,2,0,0,0,0|2,0,0]=4 4223 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,2,0,0,0,0|1,0,0]=3 4224 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,2,0,0,0,0|2,0,0]=4 4225 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,2,0,0,0,0|2,0,0]=4 4227 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,2,0,0,0,0|2,0,0]=4 4228 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,2,0,0,0,0|2,0,0]=4 4229 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,2,0,0,0,0|1,0,0]=3 4230 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,2,0,0,0,0|1,0,0]=3 4231 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,2,0,0,0,0|2,0,0]=4 4232 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,2,0,0,0,0|1,0,0]=3 4233 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,2,0,0,0,0|1,0,0]=3 4234 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,2,0,0,0,0|2,0,0]=4 4235 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,2,0,0,0,0|2,0,0]=4 4236 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,2,0,0,0,0|1,0,0]=3 4237 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,2,0,0,0,0|1,0,0]=3 4238 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,2,0,0,0,0|1,0,0]=3 4239 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,2,0,0,0,0|1,0,0]=3 4240 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,2,0,0,0,0|1,0,0]=3 4241 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,2,0,0,0,0|1,0,0]=3 4242 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,2,0,0,0,0|1,1,0]=4 4243 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,2,0,0,0,0|1,1,0]=4 4244 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,2,0,0,0,0|2,0,0]=4 4245 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,2,0,0,0,0|2,0,0]=4 4246 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,2,0,0,0,0|2,0,0]=4 4247 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,2,0,0,0,0|1,0,0]=3 4248 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,2,0,0,0,0|2,0,0]=4 4249 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,2,0,0,0,0|2,0,0]=4 4250 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,2,0,0,0,0|2,0,0]=4 4251 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,2,0,0,0,0|2,0,0]=4 4252 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,2,0,0,0,0|1,0,0]=3 4253 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,2,0,0,0,0|1,0,0]=3 4254 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,2,0,0,0,0|2,0,0]=4 4255 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,2,0,0,0,0|2,0,0]=4 4256 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,2,0,0,0,0|2,0,0]=4 4257 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,2,0,0,0,0|2,0,0]=4 4258 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,2,0,0,0,0|2,0,0]=4 4259 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,2,0,0,0,0|2,0,0]=4 4260 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,2,0,0,0,0|2,0,0]=4 4261 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,2,0,0,0,0|2,0,0]=4 4262 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,2,0,0,0,0|1,0,0]=3 4263 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,2,0,0,0,0|1,0,0]=3 4264 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,2,0,0,0,0|1,1,0]=4 4265 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,2,0,0,0,0|1,1,0]=4 4266 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,2,0,0,0,0|2,0,0]=4 4267 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,2,0,0,0,0|2,0,0]=4 4268 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,2,0,0,0,0|1,0,1]=4 4269 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,2,0,0,0,0|1,0,1]=4 4270 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,2,0,0,0,0|1,0,1]=4 4271 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,2,0,0,0,0|1,0,1]=4 4272 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,2,0,0,0,0|1,0,1]=4 4273 B9R0.2 CC(O)CCOCCON 34a_100000700252_100012276601 [0,2,0,0,0,0|1,0,1]=4 4274 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,2,0,0,0,0|1,0,1]=4 4275 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,2,0,0,0,0|1,0,1]=4 4276 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,2,0,0,0,0|1,0,1]=4 4277 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,2,0,0,0,0|1,0,1]=4 4278 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,2,0,0,0,0|1,0,1]=4 4279 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,2,0,0,0,0|1,0,1]=4 4280 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,2,0,0,0,0|1,0,1]=4 4281 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,2,0,0,0,0|1,0,1]=4 4282 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,2,0,0,0,0|1,0,1]=4 4283 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,2,0,0,0,0|1,0,1]=4 4284 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,2,0,0,0,0|2,0,0]=4 4285 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,2,0,0,0,0|2,0,0]=4 4286 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,2,0,0,0,0|2,0,0]=4 4287 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,2,0,0,0,0|2,0,0]=4 4288 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,2,0,0,0,0|2,0,0]=4 4289 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,2,0,0,0,0|2,0,0]=4 4290 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,2,0,0,0,0|2,0,0]=4 4291 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,2,0,0,0,0|2,0,0]=4 4292 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,2,0,0,0,0|2,0,0]=4 4293 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,2,0,0,0,0|2,0,0]=4 4294 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,2,0,0,0,0|2,0,0]=4 4295 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,2,0,0,0,0|2,0,0]=4 4296 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,2,0,0,0,0|2,0,0]=4 4298 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,2,0,0,0,0|2,0,0]=4 4299 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,2,0,0,0,0|1,0,0]=3 4300 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,2,0,0,0,0|2,0,0]=4 4301 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,2,0,0,0,0|2,0,0]=4 4302 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,2,0,0,0,0|2,0,0]=4 4303 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,2,0,0,0,0|2,0,0]=4 4304 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,2,0,0,0,0|1,0,1]=4 4305 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,2,0,0,0,0|2,0,0]=4 4306 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,2,0,0,0,0|2,0,0]=4 4307 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,2,0,0,0,0|1,0,1]=4 4308 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,2,0,0,0,0|1,0,1]=4 4309 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,2,0,0,0,0|2,0,0]=4 4310 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,2,0,0,0,0|2,0,0]=4 4311 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,2,0,0,0,0|2,0,0]=4 4312 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,2,0,0,0,0|1,0,0]=3 4313 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,2,0,0,0,0|2,0,0]=4 4314 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,2,0,0,0,0|2,0,0]=4 4315 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,2,0,0,0,0|2,0,0]=4 4316 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,2,0,0,0,0|2,0,0]=4 4317 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,2,0,0,0,0|2,0,0]=4 4318 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,2,0,0,0,0|2,0,0]=4 4319 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,2,0,0,0,0|2,0,0]=4 4320 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,2,0,0,0,0|2,0,0]=4 4321 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,2,0,0,0,0|2,0,0]=4 4322 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,2,0,0,0,0|2,0,0]=4 4323 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,2,0,0,0,0|2,0,0]=4 4324 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,2,0,0,0,0|2,0,0]=4 4325 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,2,0,0,0,0|2,0,0]=4 4326 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,2,0,0,0,0|2,0,0]=4 4327 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,2,0,0,0,0|2,0,0]=4 4328 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,2,0,0,0,0|2,0,0]=4 4329 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,2,0,0,0,0|2,0,0]=4 4330 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,2,0,0,0,0|2,0,0]=4 4331 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,2,0,0,0,0|2,0,0]=4 4332 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,2,0,0,0,0|2,0,0]=4 4333 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,2,0,0,0,0|2,0,0]=4 4335 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,2,0,0,0,0|2,0,0]=4 4336 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,2,0,0,0,0|2,0,0]=4 4337 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,2,0,0,0,0|2,0,0]=4 4338 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,2,0,0,0,0|2,0,0]=4 4339 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,2,0,0,0,0|2,0,0]=4 4340 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,2,0,0,0,0|2,0,0]=4 4341 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,2,0,0,0,0|2,0,0]=4 4342 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,2,0,0,0,0|2,0,0]=4 4343 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,2,0,0,0,0|2,0,0]=4 4344 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,2,0,0,0,0|2,0,0]=4 4345 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,2,0,0,0,0|2,0,0]=4 4346 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,2,0,0,0,0|2,0,0]=4 4347 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,2,0,0,0,0|2,0,0]=4 4348 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,2,0,0,0,0|2,0,0]=4 4350 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,2,0,0,0,0|2,0,0]=4 4351 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,2,0,0,0,0|2,0,0]=4 4352 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,2,0,0,0,0|2,0,0]=4 4356 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,2,0,0,0,0|2,0,0]=4 4357 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,2,0,0,0,0|2,0,0]=4 4358 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,2,0,0,0,0|2,0,0]=4 4359 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,2,0,0,0,0|2,0,0]=4 4360 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,2,0,0,0,0|2,0,0]=4 4362 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,2,0,0,0,0|1,0,0]=3 4363 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,2,0,0,0,0|1,0,1]=4 4364 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,2,0,0,0,0|1,0,0]=3 4365 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,2,0,0,0,0|1,0,0]=3 4366 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,2,0,0,0,0|1,0,0]=3 4367 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,2,0,0,0,0|1,0,1]=4 4368 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,2,0,0,0,0|1,0,1]=4 4369 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,2,0,0,0,0|2,0,0]=4 4370 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,2,0,0,0,0|2,0,0]=4 4371 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,2,0,0,0,0|2,0,0]=4 4372 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,2,0,0,0,0|2,0,0]=4 4373 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,2,0,0,0,0|2,0,0]=4 4374 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,2,0,0,0,0|2,0,0]=4 4375 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,2,0,0,0,0|2,0,0]=4 4376 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,2,0,0,0,0|2,0,0]=4 4377 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,2,0,0,0,0|2,0,0]=4 4378 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,2,0,0,0,0|2,0,0]=4 4379 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,2,0,0,0,0|1,0,0]=3 4380 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,2,0,0,0,0|1,0,1]=4 4381 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,2,0,0,0,0|2,0,0]=4 4382 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,2,0,0,0,0|2,0,0]=4 4383 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,2,0,0,0,0|2,0,0]=4 4384 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,2,0,0,0,0|2,0,0]=4 4385 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,2,0,0,0,0|1,0,1]=4 4386 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,2,0,0,0,0|2,0,0]=4 4387 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,2,0,0,0,0|2,0,0]=4 4388 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,2,0,0,0,0|1,0,1]=4 4389 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,2,0,0,0,0|1,0,1]=4 4390 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,2,0,0,0,0|2,0,0]=4 4391 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,2,0,0,0,0|2,0,0]=4 4392 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,2,0,0,0,0|2,0,0]=4 4393 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,2,0,0,0,0|2,0,0]=4 4394 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,2,0,0,0,0|2,0,0]=4 4395 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,2,0,0,0,0|1,1,0]=4 4396 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,2,0,0,0,0|1,1,0]=4 4397 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,2,0,0,0,0|2,0,0]=4 4399 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,2,0,0,0,0|2,0,0]=4 4400 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,2,0,0,0,0|2,0,0]=4 4401 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,2,0,0,0,0|1,0,0]=3 4404 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,2,0,0,0,0|2,0,0]=4 4405 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,2,0,0,0,0|2,0,0]=4 4406 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,2,0,0,0,0|2,0,0]=4 4407 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,2,0,0,0,0|2,0,0]=4 4408 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,2,0,0,0,0|2,0,0]=4 4409 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,2,0,0,0,0|1,0,1]=4 4410 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,2,0,0,0,0|2,0,0]=4 4411 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,2,0,0,0,0|2,0,0]=4 4412 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,2,0,0,0,0|1,0,1]=4 4413 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,2,0,0,0,0|1,0,1]=4 4414 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,2,0,0,0,0|2,0,0]=4 4415 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,2,0,0,0,0|2,0,0]=4 4416 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,2,0,0,0,0|2,0,0]=4 4417 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,2,0,0,0,0|2,0,0]=4 4418 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,2,0,0,0,0|2,0,0]=4 4419 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,2,0,0,0,0|2,0,0]=4 4420 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,2,0,0,0,0|2,0,0]=4 4421 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,2,0,0,0,0|2,0,0]=4 4422 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,2,0,0,0,0|2,0,0]=4 4423 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,2,0,0,0,0|2,0,0]=4 4424 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,2,0,0,0,0|2,0,0]=4 4425 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,2,0,0,0,0|1,0,1]=4 4426 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,2,0,0,0,0|1,0,1]=4 4427 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,2,0,0,0,0|1,0,0]=3 4428 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,2,0,0,0,0|1,0,0]=3 4429 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,2,0,0,0,0|1,0,0]=3 4430 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,2,0,0,0,0|1,0,0]=3 4431 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,2,0,0,0,0|1,0,0]=3 4432 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,2,0,0,0,0|0,0,1]=3 4433 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,2,0,0,0,0|1,0,0]=3 4434 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,2,0,0,0,0|1,0,0]=3 4435 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,2,0,0,0,0|1,0,0]=3 4436 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,2,0,0,0,0|1,0,1]=4 4437 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,2,0,0,0,0|1,0,0]=3 4438 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,2,0,0,0,0|1,0,0]=3 4439 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,2,0,0,0,0|1,0,0]=3 4440 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,2,0,0,0,0|0,0,0]=2 4441 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,2,0,0,0,0|0,0,1]=3 4442 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,2,0,0,0,0|1,0,1]=4 4443 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,2,0,0,0,0|1,0,1]=4 4444 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,2,0,0,0,0|1,0,1]=4 4445 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,2,0,0,0,0|1,0,1]=4 4446 B9R0.2 COCCCNC[N+](=O)[O-] 34a_100150723488_100000761209 [0,2,0,0,0,0|1,0,1]=4 4447 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,2,0,0,0,0|2,0,0]=4 4448 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,2,0,0,0,0|1,0,0]=3 4449 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,2,0,0,0,0|1,0,0]=3 4450 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,2,0,0,0,0|0,0,1]=3 4451 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,2,0,0,0,0|1,0,1]=4 4452 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,2,0,0,0,0|1,0,1]=4 4453 B9R0.2 COCCCOC[N+](=O)[O-] 34a_100000740835_100000761209 [0,2,0,0,0,0|1,0,1]=4 4454 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,2,0,0,0,0|1,0,0]=3 4455 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,2,0,0,0,0|1,0,0]=3 4456 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,2,0,0,0,0|0,0,1]=3 4457 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,2,0,0,0,0|0,0,1]=3 4458 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,2,0,0,0,0|1,0,1]=4 4459 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,2,0,0,0,0|1,0,1]=4 4460 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,2,0,0,0,0|1,0,1]=4 4461 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,2,0,0,0,0|1,0,1]=4 4462 B9R0.2 COCCCSC[N+](=O)[O-] 62a_100000709357_100000761209 [0,2,0,0,0,0|1,0,1]=4 4463 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,2,0,0,0,0|1,0,0]=3 4464 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,2,0,0,0,0|1,0,1]=4 4465 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,2,0,0,0,0|1,0,1]=4 4466 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,2,0,0,0,0|1,0,0]=3 4467 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,2,0,0,0,0|1,0,0]=3 4468 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,2,0,0,0,0|1,0,0]=3 4469 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,2,0,0,0,0|1,0,0]=3 4470 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,2,0,0,0,0|1,0,0]=3 4471 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,2,0,0,0,0|1,0,0]=3 4472 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,2,0,0,0,0|1,0,0]=3 4473 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,2,0,0,0,0|1,0,0]=3 4474 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,2,0,0,0,0|1,0,0]=3 4475 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,2,0,0,0,0|1,0,1]=4 4476 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,2,0,0,0,0|2,0,0]=4 4477 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,2,0,0,0,0|1,0,0]=3 4478 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,2,0,0,0,0|1,0,0]=3 4479 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,2,0,0,0,0|1,0,0]=3 4480 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,2,0,0,0,0|1,0,0]=3 4481 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,2,0,0,0,0|1,0,1]=4 4482 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,2,0,0,0,0|1,0,1]=4 4483 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,2,0,0,0,0|2,0,0]=4 4484 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,2,0,0,0,0|2,0,0]=4 4485 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,2,0,0,0,0|2,0,0]=4 4486 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,2,0,0,0,0|2,0,0]=4 4487 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,2,0,0,0,0|2,0,0]=4 4488 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,2,0,0,0,0|1,0,0]=3 4489 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,2,0,0,0,0|1,0,0]=3 4490 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,2,0,0,0,0|1,0,0]=3 4491 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,2,0,0,0,0|1,0,0]=3 4492 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,2,0,0,0,0|1,0,1]=4 4493 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,2,0,0,0,0|1,0,1]=4 4494 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,2,0,0,0,0|2,0,0]=4 4495 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,2,0,0,0,0|2,0,0]=4 4496 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,2,0,0,0,0|2,0,0]=4 4497 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,2,0,0,0,0|2,0,0]=4 4498 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,2,0,0,0,0|2,0,0]=4 4499 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,2,0,0,0,0|2,0,0]=4 4500 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,2,0,0,0,0|2,0,0]=4 4501 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,2,0,0,0,0|2,0,0]=4 4502 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,2,0,0,0,0|2,0,0]=4 4503 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,2,0,0,0,0|1,1,0]=4 4504 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,2,0,0,0,0|1,1,0]=4 4505 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,2,0,0,0,0|1,1,0]=4 4506 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,2,0,0,0,0|1,1,0]=4 4507 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,2,0,0,0,0|1,1,0]=4 4508 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,2,0,0,0,0|1,1,0]=4 4509 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,2,0,0,0,0|1,1,0]=4 4510 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,2,0,0,0,0|1,1,0]=4 4511 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,2,0,0,0,0|1,1,0]=4 4512 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,2,0,0,0,0|0,1,1]=4 4513 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,2,0,0,0,0|1,1,0]=4 4514 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,2,0,0,0,0|1,1,0]=4 4515 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,2,0,0,0,0|1,1,0]=4 4516 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,2,0,0,0,0|1,1,0]=4 4517 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,2,0,0,0,0|1,1,0]=4 4518 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,2,0,0,0,0|1,1,0]=4 4519 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,2,0,0,0,0|1,1,0]=4 4520 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,2,0,0,0,0|1,1,0]=4 4521 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,2,0,0,0,0|1,1,0]=4 4522 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,2,0,0,0,0|1,1,0]=4 4523 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,2,0,0,0,0|1,1,0]=4 4524 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,2,0,0,0,0|1,1,0]=4 4525 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,2,0,0,0,0|1,1,0]=4 4526 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,2,0,0,0,0|1,1,0]=4 4527 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,2,0,0,0,0|1,1,0]=4 4528 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,2,0,0,0,0|1,1,0]=4 4529 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,2,0,0,0,0|1,1,0]=4 4530 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,2,0,0,0,0|1,1,0]=4 4531 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,2,0,0,0,0|1,1,0]=4 4532 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,2,0,0,0,0|1,0,1]=4 4533 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,2,0,0,0,0|1,0,1]=4 4535 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,2,0,0,0,0|1,0,1]=4 4536 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [0,2,0,0,0,0|2,0,0]=4 4537 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,2,0,0,0,0|1,0,0]=3 4538 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [0,2,0,0,0,0|2,0,0]=4 4539 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [0,2,0,0,0,0|2,0,0]=4 4540 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100000687738_100020667443 [0,2,0,0,0,0|1,0,1]=4 4541 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100020667443_100000687738 [0,2,0,0,0,0|1,0,1]=4 4542 B9R0.2 N#CCCNOCC(=O)O 269956a_100000106656_100011215226 [0,2,0,0,0,0|1,0,1]=4 4543 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [0,2,0,0,0,0|2,0,0]=4 4544 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [0,2,0,0,0,0|2,0,0]=4 4545 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [0,2,0,0,0,0|2,0,0]=4 4546 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [0,2,0,0,0,0|2,0,0]=4 4547 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [0,2,0,0,0,0|2,0,0]=4 4548 B9R0.2 N#CSCCNCC(=O)O 269956a_100016091260_100000034367 [0,2,0,0,0,0|1,0,1]=4 4549 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,2,0,0,0,0|2,0,0]=4 4550 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,2,0,0,0,0|1,0,0]=3 4551 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,2,0,0,0,0|1,0,0]=3 4552 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,2,0,0,0,0|1,0,1]=4 4553 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,2,0,0,0,0|2,0,0]=4 4554 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,2,0,0,0,0|2,0,0]=4 4555 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,2,0,0,0,0|1,0,0]=3 4556 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,2,0,0,0,0|1,0,0]=3 4557 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,2,0,0,0,0|2,0,0]=4 4558 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,2,0,0,0,0|1,0,1]=4 4559 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,2,0,0,0,0|1,0,1]=4 4560 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,2,0,0,0,0|2,0,0]=4 4561 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,2,0,0,0,0|2,0,0]=4 4562 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,2,0,0,0,0|1,0,0]=3 4563 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,2,0,0,0,0|1,0,0]=3 4564 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,2,0,0,0,0|2,0,0]=4 4565 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,2,0,0,0,0|2,0,0]=4 4566 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,2,0,0,0,0|2,0,0]=4 4567 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,2,0,0,0,0|2,0,0]=4 4568 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,2,0,0,0,0|2,0,0]=4 4569 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,2,0,0,0,0|2,0,0]=4 4570 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,2,0,0,0,0|2,0,0]=4 4571 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,2,0,0,0,0|1,0,0]=3 4572 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,2,0,0,0,0|1,0,0]=3 4573 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,2,0,0,0,0|2,0,0]=4 4574 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,2,0,0,0,0|2,0,0]=4 4575 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,2,0,0,0,0|1,0,0]=3 4576 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,2,0,0,0,0|1,0,0]=3 4577 B9R0.2 NC(=O)CNCC#CCO 2230a_100000711301_200000047223 [0,2,0,0,0,0|1,0,1]=4 4578 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,2,0,0,0,0|1,0,1]=4 4579 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,2,0,0,0,0|2,0,0]=4 4580 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,2,0,0,0,0|1,0,0]=3 4581 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,2,0,0,0,0|1,0,0]=3 4582 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,2,0,0,0,0|1,0,0]=3 4583 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,2,0,0,0,0|2,0,0]=4 4584 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,2,0,0,0,0|2,0,0]=4 4585 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,2,0,0,0,0|2,0,0]=4 4586 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,2,0,0,0,0|2,0,0]=4 4587 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,2,0,0,0,0|2,0,0]=4 4588 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,2,0,0,0,0|2,0,0]=4 4589 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [0,2,0,0,0,0|2,0,0]=4 4590 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [0,2,0,0,0,0|2,0,0]=4 4591 B9R0.2 NC(=O)CSCC#CCO 62a_100000747473_200000047223 [0,2,0,0,0,0|1,0,1]=4 4592 B9R0.2 NC(=O)CSCC#CCO 62a_200000047223_100000747473 [0,2,0,0,0,0|1,0,1]=4 4593 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,2,0,0,0,0|1,0,1]=4 4594 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,2,0,0,0,0|1,0,1]=4 4595 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,2,0,0,0,0|2,0,0]=4 4596 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,2,0,0,0,0|2,0,0]=4 4597 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,2,0,0,0,0|1,0,0]=3 4598 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,2,0,0,0,0|1,0,0]=3 4599 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,2,0,0,0,0|2,0,0]=4 4600 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,2,0,0,0,0|1,0,0]=3 4601 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,2,0,0,0,0|1,0,0]=3 4602 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,2,0,0,0,0|2,0,0]=4 4603 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,2,0,0,0,0|1,0,0]=3 4604 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,2,0,0,0,0|2,0,0]=4 4605 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,2,0,0,0,0|2,0,0]=4 4606 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,2,0,0,0,0|1,0,0]=3 4607 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,2,0,0,0,0|1,0,0]=3 4608 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,2,0,0,0,0|2,0,0]=4 4609 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,2,0,0,0,0|1,0,0]=3 4610 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,2,0,0,0,0|2,0,0]=4 4611 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,2,0,0,0,0|2,0,0]=4 4612 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,2,0,0,0,0|1,0,0]=3 4613 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,2,0,0,0,0|2,0,0]=4 4614 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,2,0,0,0,0|2,0,0]=4 4615 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,2,0,0,0,0|1,0,0]=3 4616 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,2,0,0,0,0|1,0,0]=3 4617 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,2,0,0,0,0|2,0,0]=4 4618 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,2,0,0,0,0|1,0,1]=4 4619 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,2,0,0,0,0|2,0,0]=4 4620 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,2,0,0,0,0|2,0,0]=4 4621 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,2,0,0,0,0|2,0,0]=4 4622 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,2,0,0,0,0|1,0,0]=3 4623 B9R0.2 O=C(O)CNCC#CCO 269956a_100016091260_200000047223 [0,2,0,0,0,0|0,0,1]=3 4624 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,2,0,0,0,0|1,0,0]=3 4625 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,2,0,0,0,0|0,0,0]=2 4626 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,2,0,0,0,0|1,0,0]=3 4627 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,2,0,0,0,0|1,0,0]=3 4628 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,2,0,0,0,0|0,0,0]=2 4629 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,2,0,0,0,0|0,0,1]=3 4630 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,2,0,0,0,0|1,0,1]=4 4631 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,2,0,0,0,0|1,0,1]=4 4632 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,2,0,0,0,0|1,0,1]=4 4633 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,2,0,0,0,0|1,0,1]=4 4634 B9R0.2 O=C([O-])CSCC#CCO 62a_100020667443_200000047223 [0,2,0,0,0,0|0,0,2]=4 4635 B9R0.2 O=C([O-])CSCC#CCO 62a_200000047223_100020667443 [0,2,0,0,0,0|0,0,2]=4 4636 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,2,0,0,0,0|1,0,1]=4 4637 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,2,0,0,0,0|1,0,1]=4 4638 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,2,0,0,0,0|0,0,1]=3 4639 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,2,0,0,0,0|0,0,1]=3 4640 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,2,0,0,0,0|0,0,1]=3 4641 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,2,0,0,0,0|0,0,2]=4 4642 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,2,0,0,0,0|0,0,2]=4 4643 B9R0.2 O=[N+]([O-])CCCCOCF 34a_200015379883_100015361967 [0,2,0,0,0,0|1,0,1]=4 4644 B9R0.2 O=[N+]([O-])CCCCOCF 7a_200015379883_100015361967 [0,2,0,0,0,0|1,0,1]=4 4645 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [0,2,0,0,0,0|1,0,1]=4 4646 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [0,2,0,0,0,0|1,0,1]=4 4647 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [0,2,0,0,0,0|1,0,1]=4 4648 B9R0.2 OCCNCCC=C(F)F 2230a_100016997473_200009816681 [0,2,0,0,0,0|2,0,0]=4 4649 B9R0.2 OCCNCCC=C(F)F 34a_100016990907_200009816681 [0,2,0,0,0,0|2,0,0]=4 4650 B9R0.2 OCCSCCC=C(F)F 62a_100000211926_200009816681 [0,2,0,0,0,0|2,0,0]=4 4651 B9R0.2 OCCSCCC=C(F)F 62a_200009816681_100000211926 [0,2,0,0,0,0|2,0,0]=4 4652 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,2,0,0,0,0|1,0,0]=3 4653 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,2,0,0,0,0|2,0,0]=4 4654 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,2,0,0,0,0|1,0,0]=3 4655 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,2,0,0,0,0|1,0,0]=3 4656 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,2,0,0,0,0|0,0,1]=3 4657 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,2,0,0,0,0|1,1,0]=4 4658 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,2,0,0,0,0|1,1,0]=4 4659 B9R0.38 CC(C)(O)CCNCCO 2230a_100016997473_100000702414 [0,2,0,0,0,0|1,0,1]=4 4660 B9R0.38 CC(C)(O)CCNCCO 34a_100016990907_100000702414 [0,2,0,0,0,0|1,0,1]=4 4661 B9R0.38 CC(C)(O)CCSCCO 62a_100000211926_100000702414 [0,2,0,0,0,0|1,0,1]=4 4662 B9R0.38 CC(C)(O)CCSCCO 62a_100000702414_100000211926 [0,2,0,0,0,0|1,0,1]=4 4663 B9R0.38 CC(C)(O)CNCCCO 2230a_100000751335_100000230001 [0,2,0,0,0,0|1,0,1]=4 4664 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [0,2,0,0,0,0|1,0,1]=4 4665 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [0,2,0,0,0,0|1,0,1]=4 4666 B9R0.38 CS(=O)(=O)CCNCCO 2230a_100000740961_100000211926 [0,2,0,0,0,0|1,0,1]=4 4667 B9R0.38 CS(=O)(=O)CCNCCO 2230a_100016997473_100000731031 [0,2,0,0,0,0|1,0,1]=4 4668 B9R0.38 CS(=O)(=O)CCNCCO 34a_100000740961_100000211926 [0,2,0,0,0,0|1,0,1]=4 4669 B9R0.38 CS(=O)(=O)CCNCCO 34a_100016990907_100000731031 [0,2,0,0,0,0|1,0,1]=4 4670 B9R0.38 CS(=O)(=O)CCOCCO 34a_100000211924_100000211926 [0,2,0,0,0,0|1,0,1]=4 4671 B9R0.38 CS(=O)(=O)CCOCCO 7a_100000211924_100000211926 [0,2,0,0,0,0|1,0,1]=4 4672 B9R0.38 CS(=O)(=O)CCSCCO 62a_100000211926_100000230027 [0,2,0,0,0,0|1,0,1]=4 4673 B9R0.38 CS(=O)(=O)CCSCCO 62a_100000731031_100000211926 [0,2,0,0,0,0|1,0,1]=4 4674 B9R0.38 CS(=O)(=O)NCCCCO 40a_100000750430_100000738038 [0,2,0,0,0,0|1,0,1]=4 4675 B9R0.38 NS(=O)(=O)CCNCCO 2230a_100000738205_100000211926 [0,2,0,0,0,0|1,0,1]=4 4676 B9R0.38 NS(=O)(=O)CCNCCO 34a_100000738205_100000211926 [0,2,0,0,0,0|1,0,1]=4 4677 B9R0.38 NS(=O)(=O)CCOCCO 34a_100012334274_100000211926 [0,2,0,0,0,0|1,0,1]=4 4678 B9R0.38 NS(=O)(=O)CSCCCO 62a_100000741382_100011215043 [0,2,0,0,0,0|1,0,1]=4 4679 B9R0.38 NS(=O)(=O)CSCCCO 62a_100011215043_100000741382 [0,2,0,0,0,0|1,0,1]=4 4680 B9R0.38 O=S(=O)([O-])CCNCCO 2230a_100016997473_100000737633 [0,2,0,0,0,0|1,0,1]=4 4681 B9R0.38 O=S(=O)([O-])CCNCCO 34a_100016990907_100000762736 [0,2,0,0,0,0|1,0,1]=4 4682 B9R0.38 O=S(=O)([O-])CCSCCO 62a_100000211926_100000762736 [0,2,0,0,0,0|1,0,1]=4 4683 B9R0.38 O=S(=O)([O-])CCSCCO 62a_100000762736_100000211926 [0,2,0,0,0,0|1,0,1]=4 4684 B9R0.38 O=S(=O)([O-])CSCCCO 62a_100009817235_100011215043 [0,2,0,0,0,0|1,0,1]=4 4685 B9R0.38 O=S(=O)([O-])CSCCCO 62a_100011215043_100009817235 [0,2,0,0,0,0|1,0,1]=4 4686 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|2,0,0]=4 4687 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|2,0,0]=4 4688 B9R0.48 C=C(C)CCN(C)CCO 2230a_100000210263_100000730704 [0,2,0,0,0,0|2,0,0]=4 4689 B9R0.48 C=C(C)CCN(C)CCO 269982a_100000210263_100000730704 [0,2,0,0,0,0|2,0,0]=4 4690 B9R0.48 C=C(C)CN[C@H](C)CCO 2230a_100000706166_100000748629 [0,2,0,0,0,0|2,0,0]=4 4691 B9R0.48 C=C(C)CN[C@H](C)CCO 34a_100000706166_100000748629 [0,2,0,0,0,0|2,0,0]=4 4692 B9R0.48 C=C(C)COC(C)CCO 34a_100000210245_100009893172 [0,2,0,0,0,0|2,0,0]=4 4693 B9R0.48 C=C(C)CSC(C)CCO 62a_100000748629_100009893172 [0,2,0,0,0,0|2,0,0]=4 4694 B9R0.48 C=C(C)CSC(C)CCO 62a_100009893172_100000211660 [0,2,0,0,0,0|2,0,0]=4 4695 B9R0.48 C=C(F)CN[C@H](C)CCO 2230a_100000706166_100009893438 [0,2,0,0,0,0|2,0,0]=4 4696 B9R0.48 C=C(F)CN[C@H](C)CCO 34a_100000706166_100009893438 [0,2,0,0,0,0|2,0,0]=4 4697 B9R0.48 C=C(F)COC(C)CCO 34a_200010262243_100009893172 [0,2,0,0,0,0|2,0,0]=4 4698 B9R0.48 C=C(F)CSC(C)CCO 62a_100000042424_100009893172 [0,2,0,0,0,0|2,0,0]=4 4699 B9R0.48 C=C(F)CSC(C)CCO 62a_100009893172_100000042424 [0,2,0,0,0,0|2,0,0]=4 4700 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,2,0,0,0,0|1,0,0]=3 4701 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,2,0,0,0,0|1,0,0]=3 4702 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,2,0,0,0,0|1,0,1]=4 4703 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,2,0,0,0,0|1,0,1]=4 4704 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,2,0,0,0,0|2,0,0]=4 4705 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,2,0,0,0,0|1,0,1]=4 4706 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,2,0,0,0,0|1,0,1]=4 4707 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,2,0,0,0,0|1,0,1]=4 4709 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,2,0,0,0,0|1,0,0]=3 4710 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,2,0,0,0,0|0,0,0]=2 4711 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,2,0,0,0,0|1,0,0]=3 4712 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,2,0,0,0,0|1,0,0]=3 4713 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,2,0,0,0,0|0,0,1]=3 4714 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,2,0,0,0,0|0,0,1]=3 4715 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009817552_100009893172 [0,2,0,0,0,0|1,0,1]=4 4716 B9R0.48 CC(CCO)SC[C@@H](C)O 62a_100009893172_100009817552 [0,2,0,0,0,0|1,0,1]=4 4717 B9R0.48 CC(CCO)SC[N+](=O)[O-] 62a_100009893172_100000761209 [0,2,0,0,0,0|1,0,1]=4 4718 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|1,0,1]=4 4719 B9R0.48 CC(O)CCN(C)CCO 2230a_100000210263_100012276601 [0,2,0,0,0,0|1,0,1]=4 4720 B9R0.48 CC(O)CCN(C)CCO 269982a_100000210263_100012276601 [0,2,0,0,0,0|1,0,1]=4 4721 B9R0.48 CC(O)CNC(C)CCO 2230a_100000210904_100009893172 [0,2,0,0,0,0|1,0,1]=4 4722 B9R0.48 CC(O)CNC(C)CCO 34a_100000210904_100009893172 [0,2,0,0,0,0|1,0,1]=4 4723 B9R0.48 CC(O)CN[C@H](C)CCO 2230a_100000706166_100011218427 [0,2,0,0,0,0|1,0,1]=4 4724 B9R0.48 CC(O)CN[C@H](C)CCO 34a_100000706166_100011218427 [0,2,0,0,0,0|1,0,1]=4 4725 B9R0.48 CC(O)CSC(C)CCO 62a_100009893172_100011218427 [0,2,0,0,0,0|1,0,1]=4 4726 B9R0.48 CC(O)CSC(C)CCO 62a_100011218427_100009893172 [0,2,0,0,0,0|1,0,1]=4 4727 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,2,0,0,0,0|2,0,0]=4 4728 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,2,0,0,0,0|2,0,0]=4 4729 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,2,0,0,0,0|2,0,0]=4 4730 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,2,0,0,0,0|1,0,0]=3 4731 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,2,0,0,0,0|2,0,0]=4 4732 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,2,0,0,0,0|2,0,0]=4 4733 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,2,0,0,0,0|2,0,0]=4 4734 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,2,0,0,0,0|1,0,1]=4 4735 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,2,0,0,0,0|2,0,0]=4 4736 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,2,0,0,0,0|2,0,0]=4 4737 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,2,0,0,0,0|1,0,1]=4 4738 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,2,0,0,0,0|1,0,1]=4 4739 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,2,0,0,0,0|2,0,0]=4 4740 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,2,0,0,0,0|2,0,0]=4 4741 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,2,0,0,0,0|2,0,0]=4 4742 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,2,0,0,0,0|2,0,0]=4 4743 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,2,0,0,0,0|2,0,0]=4 4744 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,2,0,0,0,0|1,0,0]=3 4745 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,2,0,0,0,0|1,0,0]=3 4746 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,2,0,0,0,0|1,0,0]=3 4747 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,2,0,0,0,0|2,0,0]=4 4748 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,2,0,0,0,0|2,0,0]=4 4749 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,2,0,0,0,0|1,0,0]=3 4750 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,2,0,0,0,0|2,0,0]=4 4751 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,2,0,0,0,0|2,0,0]=4 4752 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,2,0,0,0,0|2,0,0]=4 4753 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,2,0,0,0,0|1,0,1]=4 4754 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,2,0,0,0,0|1,0,1]=4 4755 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,2,0,0,0,0|2,0,0]=4 4756 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,2,0,0,0,0|2,0,0]=4 4757 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,2,0,0,0,0|2,0,0]=4 4758 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,2,0,0,0,0|2,0,0]=4 4759 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,2,0,0,0,0|2,0,0]=4 4760 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,2,0,0,0,0|2,0,0]=4 4761 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,2,0,0,0,0|1,0,1]=4 4762 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,2,0,0,0,0|1,0,0]=3 4763 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,2,0,0,0,0|1,0,0]=3 4764 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,2,0,0,0,0|0,0,1]=3 4765 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 2230a_100000706166_100009817552 [0,2,0,0,0,0|1,0,1]=4 4766 B9R0.48 C[C@H](CCO)NC[C@@H](C)O 34a_100000706166_100009817552 [0,2,0,0,0,0|1,0,1]=4 4767 B9R0.48 C[C@H](CCO)NC[N+](=O)[O-] 34a_100000706166_100000761209 [0,2,0,0,0,0|1,0,1]=4 4768 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,2,0,0,0,0|2,0,0]=4 4769 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,2,0,0,0,0|1,0,0]=3 4770 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,2,0,0,0,0|1,0,1]=4 4771 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,2,0,0,0,0|1,0,1]=4 4772 B9R0.48 O=C(CCO)CC[N+](=O)[O-] 1458a_200000064761_100000211926 [0,2,0,0,0,0|1,0,1]=4 4773 B9R0.55 C=C(Br)CCOCC(C)O 34a_100009813270_100011218427 [0,2,0,0,0,0|2,0,0]=4 4774 B9R0.55 C=C(Br)CCOC[C@@H](C)O 34a_100009813270_100009817552 [0,2,0,0,0,0|2,0,0]=4 4775 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,2,0,0,0,0|1,0,1]=4 4776 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,2,0,0,0,0|2,0,0]=4 4777 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,2,0,0,0,0|2,0,0]=4 4778 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,2,0,0,0,0|2,0,0]=4 4779 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,2,0,0,0,0|2,0,0]=4 4780 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,2,0,0,0,0|2,0,0]=4 4781 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,2,0,0,0,0|2,0,0]=4 4782 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,2,0,0,0,0|2,0,0]=4 4783 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,2,0,0,0,0|2,0,0]=4 4784 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,2,0,0,0,0|2,0,0]=4 4785 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,2,0,0,0,0|2,0,0]=4 4786 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,2,0,0,0,0|2,0,0]=4 4787 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,2,0,0,0,0|2,0,0]=4 4788 B9R0.55 C=C(F)CNCCC(C)O 2230a_200000755665_100009893438 [0,2,0,0,0,0|2,0,0]=4 4789 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,2,0,0,0,0|2,0,0]=4 4790 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [0,2,0,0,0,0|2,0,0]=4 4791 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [0,2,0,0,0,0|2,0,0]=4 4792 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,2,0,0,0,0|1,0,0]=3 4793 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,2,0,0,0,0|1,0,1]=4 4794 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,2,0,0,0,0|2,0,0]=4 4795 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,2,0,0,0,0|2,0,0]=4 4796 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,2,0,0,0,0|2,0,0]=4 4797 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,2,0,0,0,0|2,0,0]=4 4798 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,2,0,0,0,0|2,0,0]=4 4799 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,2,0,0,0,0|2,0,0]=4 4800 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,2,0,0,0,0|2,0,0]=4 4801 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,2,0,0,0,0|2,0,0]=4 4802 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,2,0,0,0,0|2,0,0]=4 4803 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,2,0,0,0,0|0,0,2]=4 4804 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,2,0,0,0,0|2,0,0]=4 4805 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,2,0,0,0,0|2,0,0]=4 4806 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,2,0,0,0,0|1,0,0]=3 4807 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,2,0,0,0,0|1,0,0]=3 4808 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [0,2,0,0,0,0|2,0,0]=4 4809 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [0,2,0,0,0,0|2,0,0]=4 4810 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [0,2,0,0,0,0|2,0,0]=4 4811 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,2,0,0,0,0|1,0,0]=3 4813 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,2,0,0,0,0|2,0,0]=4 4814 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,2,0,0,0,0|2,0,0]=4 4815 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,2,0,0,0,0|1,0,0]=3 4816 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,2,0,0,0,0|1,0,0]=3 4817 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [0,2,0,0,0,0|2,0,0]=4 4818 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [0,2,0,0,0,0|2,0,0]=4 4819 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,2,0,0,0,0|1,0,0]=3 4820 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,2,0,0,0,0|1,0,0]=3 4821 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,2,0,0,0,0|2,0,0]=4 4822 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,2,0,0,0,0|1,0,0]=3 4823 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,2,0,0,0,0|2,0,0]=4 4824 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,2,0,0,0,0|2,0,0]=4 4825 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,2,0,0,0,0|2,0,0]=4 4826 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,2,0,0,0,0|2,0,0]=4 4827 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,2,0,0,0,0|2,0,0]=4 4828 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,2,0,0,0,0|2,0,0]=4 4829 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,2,0,0,0,0|2,0,0]=4 4830 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,2,0,0,0,0|2,0,0]=4 4831 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,2,0,0,0,0|2,0,0]=4 4832 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,2,0,0,0,0|2,0,0]=4 4833 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,2,0,0,0,0|1,0,1]=4 4834 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,2,0,0,0,0|2,0,0]=4 4835 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,2,0,0,0,0|2,0,0]=4 4836 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,2,0,0,0,0|2,0,0]=4 4837 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,2,0,0,0,0|1,0,0]=3 4838 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,2,0,0,0,0|2,0,0]=4 4839 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,2,0,0,0,0|2,0,0]=4 4840 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,2,0,0,0,0|1,0,1]=4 4841 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,2,0,0,0,0|2,0,0]=4 4842 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,2,0,0,0,0|2,0,0]=4 4843 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,2,0,0,0,0|1,0,1]=4 4844 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,2,0,0,0,0|1,0,1]=4 4845 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,2,0,0,0,0|2,0,0]=4 4846 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,2,0,0,0,0|2,0,0]=4 4847 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,2,0,0,0,0|2,0,0]=4 4848 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,2,0,0,0,0|2,0,0]=4 4849 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,2,0,0,0,0|2,0,0]=4 4850 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,2,0,0,0,0|2,0,0]=4 4851 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,2,0,0,0,0|2,0,0]=4 4852 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,2,0,0,0,0|2,0,0]=4 4853 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,2,0,0,0,0|2,0,0]=4 4854 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,2,0,0,0,0|2,0,0]=4 4855 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,2,0,0,0,0|2,0,0]=4 4856 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,2,0,0,0,0|2,0,0]=4 4857 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,2,0,0,0,0|2,0,0]=4 4858 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,2,0,0,0,0|2,0,0]=4 4859 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,2,0,0,0,0|2,0,0]=4 4860 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,2,0,0,0,0|1,0,0]=3 4861 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,2,0,0,0,0|1,0,0]=3 4862 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,2,0,0,0,0|0,0,0]=2 4863 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,2,0,0,0,0|1,0,1]=4 4864 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,2,0,0,0,0|1,0,1]=4 4865 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,2,0,0,0,0|1,0,1]=4 4866 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,2,0,0,0,0|1,0,1]=4 4867 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,2,0,0,0,0|1,0,0]=3 4868 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,2,0,0,0,0|1,0,0]=3 4869 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,2,0,0,0,0|0,0,1]=3 4870 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,2,0,0,0,0|0,0,1]=3 4871 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,2,0,0,0,0|1,0,1]=4 4872 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,2,0,0,0,0|1,0,1]=4 4873 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,2,0,0,0,0|1,0,1]=4 4874 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,2,0,0,0,0|1,0,1]=4 4875 B9R0.55 CC(O)CCSC[N+](=O)[O-] 62a_100012276601_100000761209 [0,2,0,0,0,0|1,0,1]=4 4876 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,2,0,0,0,0|1,0,0]=3 4877 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,2,0,0,0,0|1,0,0]=3 4878 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,2,0,0,0,0|1,0,0]=3 4879 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,2,0,0,0,0|1,0,0]=3 4880 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,2,0,0,0,0|1,0,0]=3 4881 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,2,0,0,0,0|1,0,0]=3 4882 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,2,0,0,0,0|1,0,0]=3 4883 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,2,0,0,0,0|2,0,0]=4 4884 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,2,0,0,0,0|2,0,0]=4 4885 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,2,0,0,0,0|2,0,0]=4 4886 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,2,0,0,0,0|1,0,1]=4 4887 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,2,0,0,0,0|2,0,0]=4 4888 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,2,0,0,0,0|1,0,0]=3 4889 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,2,0,0,0,0|1,0,0]=3 4890 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,2,0,0,0,0|1,0,0]=3 4891 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,2,0,0,0,0|1,0,0]=3 4892 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,2,0,0,0,0|1,0,0]=3 4893 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,2,0,0,0,0|0,0,2]=4 4894 B9R0.55 NC(=O)CCNCC(F)F 34a_100000765723_100000731001 [0,2,0,0,0,0|2,0,0]=4 4895 B9R0.55 NC(=O)CCOCC(F)F 34a_100000743014_100000731001 [0,2,0,0,0,0|2,0,0]=4 4896 B9R0.55 NC(=O)CCOCC(F)F 34a_100000757172_100011934356 [0,2,0,0,0,0|2,0,0]=4 4897 B9R0.55 NC(=O)CCOCC(F)F 7a_100000757172_100011934356 [0,2,0,0,0,0|2,0,0]=4 4898 B9R0.55 NC(=O)CCSCC(F)F 62a_100000744528_100011934356 [0,2,0,0,0,0|2,0,0]=4 4899 B9R0.55 NC(=O)CCSCC(F)F 62a_100011934356_100000744528 [0,2,0,0,0,0|2,0,0]=4 4900 B9R0.55 NC(=O)COCCC(F)F 34a_100103093639_100000187820 [0,2,0,0,0,0|2,0,0]=4 4901 B9R0.55 O=C(O)CONCC(F)F 269956a_100000106656_100011934356 [0,2,0,0,0,0|2,0,0]=4 4902 B9R0.55 O=C([O-])COCCC(F)F 34a_100103093639_100020667443 [0,2,0,0,0,0|1,0,1]=4 4903 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,2,0,0,0,0|2,0,0]=4 4904 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,2,0,0,0,0|2,0,0]=4 4905 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,2,0,0,0,0|2,0,0]=4 4906 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,2,0,0,0,0|2,0,0]=4 4907 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,2,0,0,0,0|2,0,0]=4 4908 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,2,0,0,0,0|2,0,0]=4 4909 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,2,0,0,0,0|2,0,0]=4 4910 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,2,0,0,0,0|2,0,0]=4 4911 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,2,0,0,0,0|2,0,0]=4 4912 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,2,0,0,0,0|2,0,0]=4 4913 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,2,0,0,0,0|2,0,0]=4 4914 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,2,0,0,0,0|2,0,0]=4 4915 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,2,0,0,0,0|2,0,0]=4 4916 B9R0.7 CC(O)CNC(F)C(=O)N 2230a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 4917 B9R0.7 CC(O)CNC(F)C(=O)N 34a_100000210904_100009813875 [0,2,0,0,0,0|2,0,0]=4 4918 B9R0.7 CC(O)CNC(F)C(=O)[O-] 34a_100000210904_100020610796 [0,2,0,0,0,0|1,0,1]=4 4919 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,2,0,0,0,0|1,0,0]=3 4920 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,2,0,0,0,0|2,0,0]=4 4921 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,2,0,0,0,0|2,0,0]=4 4922 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,2,0,0,0,0|1,0,1]=4 4923 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,2,0,0,0,0|2,0,0]=4 4924 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,2,0,0,0,0|2,0,0]=4 4925 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,2,0,0,0,0|2,0,0]=4 4926 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,2,0,0,0,0|2,0,0]=4 4927 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100009813875_100011218427 [0,2,0,0,0,0|2,0,0]=4 4928 B9R0.7 CC(O)CSC(F)C(=O)N 62a_100011218427_100009813875 [0,2,0,0,0,0|2,0,0]=4 4929 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100011218427_100020610796 [0,2,0,0,0,0|1,0,1]=4 4930 B9R0.7 CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218427 [0,2,0,0,0,0|1,0,1]=4 4931 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,2,0,0,0,0|2,0,0]=4 4932 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,2,0,0,0,0|2,0,0]=4 4933 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,2,0,0,0,0|2,0,0]=4 4934 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,2,0,0,0,0|2,0,0]=4 4935 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,2,0,0,0,0|2,0,0]=4 4936 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,2,0,0,0,0|2,0,0]=4 4937 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009813875_100009817552 [0,2,0,0,0,0|2,0,0]=4 4938 B9R0.7 C[C@@H](O)CSC(F)C(=O)N 62a_100009817552_100009813875 [0,2,0,0,0,0|2,0,0]=4 4939 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100009817552_100020610796 [0,2,0,0,0,0|1,0,1]=4 4940 B9R0.7 C[C@@H](O)CSC(F)C(=O)[O-] 62a_100020610796_100009817552 [0,2,0,0,0,0|1,0,1]=4 4941 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,2,0,0,0,0|2,0,0]=4 4942 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,2,0,0,0,0|1,0,0]=3 4943 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,2,0,0,0,0|1,0,1]=4 4944 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,2,0,0,0,0|2,0,0]=4 4945 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [0,2,0,0,0,0|2,0,0]=4 4946 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [0,2,0,0,0,0|1,0,0]=3 4947 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [0,2,0,0,0,0|2,0,0]=4 4948 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [0,2,0,0,0,0|2,0,0]=4 4949 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [0,2,0,0,0,0|2,0,0]=4 4950 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [0,2,0,0,0,0|2,0,0]=4 4951 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [0,2,0,0,0,0|2,0,0]=4 4952 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [0,2,0,0,0,0|2,0,0]=4 4953 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,2,0,0,0,0|2,0,0]=4 4954 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,2,0,0,0,0|2,0,0]=4 4955 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,2,0,0,0,0|2,0,0]=4 4956 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,2,0,0,0,0|2,0,0]=4 4957 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,2,0,0,0,0|2,0,0]=4 4958 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,2,0,0,0,0|2,0,0]=4 4959 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,2,0,0,0,0|2,0,0]=4 4960 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,2,0,0,0,0|2,0,0]=4 4961 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,2,0,0,0,0|2,0,0]=4 4962 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,2,0,0,0,0|2,0,0]=4 4963 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,2,0,0,0,0|2,0,0]=4 4964 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,2,0,0,0,0|2,0,0]=4 4965 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,2,0,0,0,0|2,0,0]=4 4966 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,2,0,0,0,0|2,0,0]=4 4967 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,2,0,0,0,0|2,0,0]=4 4968 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,2,0,0,0,0|2,0,0]=4 4969 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,2,0,0,0,0|2,0,0]=4 4970 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,2,0,0,0,0|2,0,0]=4 4971 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,2,0,0,0,0|1,0,0]=3 4972 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,2,0,0,0,0|2,0,0]=4 4973 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,2,0,0,0,0|2,0,0]=4 4974 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,2,0,0,0,0|2,0,0]=4 4975 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,2,0,0,0,0|2,0,0]=4 4976 B9R0.13 N#CC(NCCO)C(=O)N 2230a_100000039599_100000211926 [0,2,0,0,0,0|2,0,0]=4 4977 B9R0.13 NC(=O)[C@H](CO)NCCO 2230a_100000729942_100000211926 [0,2,0,0,0,0|2,0,0]=4 4978 B9R0.13 NC(=O)[C@H](CO)NCCO 34a_100000729942_100000211926 [0,2,0,0,0,0|2,0,0]=4 4979 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,2,0,0,0,0|2,0,0]=4 4980 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,2,0,0,0,0|1,0,0]=3 4981 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,2,0,0,0,0|2,0,0]=4 4982 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,2,0,0,0,0|2,0,0]=4 4983 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,2,0,0,0,0|2,0,0]=4 4984 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,2,0,0,0,0|2,0,0]=4 4985 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,2,0,0,0,0|2,0,0]=4 4986 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,2,0,0,0,0|2,0,0]=4 4987 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,2,0,0,0,0|2,0,0]=4 4988 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [0,2,0,0,0,0|2,0,0]=4 4989 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [0,2,0,0,0,0|2,0,0]=4 4990 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [0,2,0,0,0,0|1,0,1]=4 4991 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [0,2,0,0,0,0|2,0,0]=4 4992 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [0,2,0,0,0,0|2,0,0]=4 4993 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [0,2,0,0,0,0|2,0,0]=4 4994 B9R0.42 CC(CO)SC(F)C(=O)N 62a_100012180447_100009813875 [0,2,0,0,0,0|2,0,0]=4 4995 B9R0.42 CC(CO)SC(F)C(=O)[O-] 62a_100012180447_100020610796 [0,2,0,0,0,0|1,0,1]=4 4996 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [0,2,0,0,0,0|2,0,0]=4 4997 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [0,2,0,0,0,0|2,0,0]=4 4998 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [0,2,0,0,0,0|2,0,0]=4 4999 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|2,0,0]=4 5000 B9R0.42 C[C@H](CO)NC(F)C(=O)N 2230a_100000737577_100009813875 [0,2,0,0,0,0|2,0,0]=4 5001 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,2,0,0,0,0|1,0,0]=3 5002 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100009813875_100016084084 [0,2,0,0,0,0|2,0,0]=4 5003 B9R0.42 C[C@H](CO)SC(F)C(=O)N 62a_100016084084_100009813875 [0,2,0,0,0,0|2,0,0]=4 5004 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100016084084_100020610796 [0,2,0,0,0,0|1,0,1]=4 5005 B9R0.42 C[C@H](CO)SC(F)C(=O)[O-] 62a_100020610796_100016084084 [0,2,0,0,0,0|1,0,1]=4 5006 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [0,2,0,0,0,0|2,0,0]=4 5007 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [0,2,0,0,0,0|2,0,0]=4 5008 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [0,2,0,0,0,0|2,0,0]=4 5009 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [0,2,0,0,0,0|2,0,0]=4 5010 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,2,0,0,0,0|2,0,0]=4 5011 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100000743658_100000211926 [0,2,0,0,0,0|2,0,0]=4 5012 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100016997473_100000702505 [0,2,0,0,0,0|2,0,0]=4 5013 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100000743658_100000211926 [0,2,0,0,0,0|2,0,0]=4 5014 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100016990907_100000702505 [0,2,0,0,0,0|2,0,0]=4 5015 B9R0.51 CC(C)(OCCO)C(=O)N 34a_100011626353_100000211926 [0,2,0,0,0,0|2,0,0]=4 5016 B9R0.51 CC(C)(OCCO)C(=O)N 7a_100011626353_100000211926 [0,2,0,0,0,0|2,0,0]=4 5017 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000211926_100000702505 [0,2,0,0,0,0|2,0,0]=4 5018 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000702505_100000211926 [0,2,0,0,0,0|2,0,0]=4 5019 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,2,0,0,0,0|2,0,0]=4 5020 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,2,0,0,0,0|2,0,0]=4 5021 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,2,0,0,0,0|2,0,0]=4 5022 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,2,0,0,0,0|2,0,0]=4 5023 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,2,0,0,0,0|2,0,0]=4 5024 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,2,0,0,0,0|2,0,0]=4 5025 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,2,0,0,0,0|2,0,0]=4 5026 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,2,0,0,0,0|2,0,0]=4 5027 B9R0.51 NC(=O)C(F)(F)SCCO 62a_100000211926_100009811971 [0,2,0,0,0,0|2,0,0]=4 5028 B9R0.51 NC(=O)C(F)(F)SCCO 62a_100009811971_100000211926 [0,2,0,0,0,0|2,0,0]=4 5029 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,2,0,0,0,0|2,0,0]=4 5030 B9R0.51 O=C([O-])C(F)(F)NCCO 34a_100016990907_100020612412 [0,2,0,0,0,0|1,0,1]=4 5031 B9R0.51 O=C([O-])C(F)(F)SCCO 62a_100000211926_100000745680 [0,2,0,0,0,0|1,0,1]=4 5032 B9R0.51 O=C([O-])C(F)(F)SCCO 62a_100000745680_100000211926 [0,2,0,0,0,0|1,0,1]=4 5033 B9R0.43 C=C[C@@H](CO)NCC(=O)N 2230a_100016989147_100000747473 [0,2,0,0,0,0|2,0,0]=4 5034 B9R0.43 C=C[C@@H](CO)NCC(=O)N 34a_100016989147_100000187820 [0,2,0,0,0,0|2,0,0]=4 5035 B9R0.43 C=C[C@@H](CO)NCC(=O)[O-] 34a_100016989147_100020667443 [0,2,0,0,0,0|1,0,1]=4 5036 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,2,0,0,0,0|2,0,0]=4 5037 B9R0.43 CC[C@@H](CO)NCC(=O)N 2230a_100000709445_100000747473 [0,2,0,0,0,0|2,0,0]=4 5038 B9R0.43 NC(=O)CNC(CO)CO 2230a_100000759517_100000747473 [0,2,0,0,0,0|2,0,0]=4 5039 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [0,2,0,0,0,0|2,0,0]=4 5040 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [0,2,0,0,0,0|2,0,0]=4 5041 B9R0.64 CC(=O)NCC(F)(F)CO 240690a_100000703232_100015343762 [0,2,0,0,0,0|2,0,0]=4 5042 B9R0.64 CC(=O)NCC(F)(F)CO 527a_100000703232_100103153847 [0,2,0,0,0,0|2,0,0]=4 5043 B9R0.64 CC(C)(CO)NCC(=O)N 2230a_100000210608_100000747473 [0,2,0,0,0,0|2,0,0]=4 5044 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,2,0,0,0,0|2,0,0]=4 5045 B9R0.64 NC(=O)CSC(F)(F)CO 62a_100000747473_100011217949 [0,2,0,0,0,0|2,0,0]=4 5046 B9R0.64 NC(=O)CSC(F)(F)CO 62a_100011217949_100000747473 [0,2,0,0,0,0|2,0,0]=4 5047 B9R0.64 O=C(O)CNC(F)(F)CO 269956a_100016091260_100011217949 [0,2,0,0,0,0|1,0,0]=3 5048 B9R0.64 O=C([O-])CSC(F)(F)CO 62a_100011217949_100020667443 [0,2,0,0,0,0|1,0,1]=4 5049 B9R0.64 O=C([O-])CSC(F)(F)CO 62a_100020667443_100011217949 [0,2,0,0,0,0|1,0,1]=4 5050 B9R0.56 CC(=O)CCCC(F)(F)F 1458a_100000070787_100011216173 [0,2,0,0,0,0|2,0,0]=4 5051 B9R0.56 CC(=O)CCCC(F)(F)F 1458a_100000764234_200000210301 [0,2,0,0,0,0|2,0,0]=4 5052 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,2,0,0,0,0|2,0,0]=4 5053 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,2,0,0,0,0|2,0,0]=4 5054 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,2,0,0,0,0|2,0,0]=4 5055 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,2,0,0,0,0|2,0,0]=4 5056 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,2,0,0,0,0|2,0,0]=4 5057 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,2,0,0,0,0|2,0,0]=4 5058 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,2,0,0,0,0|1,0,0]=3 5059 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000747473_100000764493 [0,2,0,0,0,0|2,0,0]=4 5060 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000764493_100000747473 [0,2,0,0,0,0|2,0,0]=4 5061 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [0,2,0,0,0,0|1,0,1]=4 5062 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [0,2,0,0,0,0|1,0,1]=4 5063 B9R0.56 O=C(O)CNCC(F)(F)F 269956a_100016091260_100000763148 [0,2,0,0,0,0|2,0,0]=4 5064 B9R0.56 [13CH3]C(=O)CCCC(F)(F)F 1458a_100000764234_200025704644 [0,2,0,0,0,0|2,0,0]=4 5065 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [1,0,0,1,0,0|2,0,0]=4 5066 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [1,0,0,1,0,0|2,0,0]=4 5067 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 5068 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 5069 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 5070 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 5071 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,0]=3 5072 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,0]=3 5073 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|1,0,0]=3 5074 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|2,0,0]=4 5075 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|2,0,0]=4 5076 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 5077 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 5078 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 5079 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,0]=3 5080 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|1,0,0]=3 5081 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|2,0,0]=4 5082 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,0]=3 5083 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,0]=3 5084 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,0]=3 5085 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,1,0]=4 5086 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,0]=3 5087 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 5088 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 5089 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 5090 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,0]=3 5091 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,0,0,1,0,0|2,0,0]=4 5092 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,0,0,1,0,0|2,0,0]=4 5093 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [1,0,0,1,0,0|2,0,0]=4 5094 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [1,0,0,1,0,0|2,0,0]=4 5095 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [1,0,0,1,0,0|2,0,0]=4 5096 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [1,0,0,1,0,0|2,0,0]=4 5097 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [1,0,0,1,0,0|2,0,0]=4 5098 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [1,0,0,1,0,0|2,0,0]=4 5099 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [1,0,0,1,0,0|2,0,0]=4 5100 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [1,0,0,1,0,0|2,0,0]=4 5101 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [1,0,0,1,0,0|2,0,0]=4 5102 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [1,0,0,1,0,0|2,0,0]=4 5103 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [1,0,0,1,0,0|2,0,0]=4 5104 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [1,0,0,1,0,0|2,0,0]=4 5105 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [1,0,0,1,0,0|2,0,0]=4 5106 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [1,0,0,1,0,0|2,0,0]=4 5107 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [1,0,0,1,0,0|2,0,0]=4 5108 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|2,0,0]=4 5109 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|2,0,0]=4 5110 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|2,0,0]=4 5111 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|2,0,0]=4 5112 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|2,0,0]=4 5113 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|2,0,0]=4 5114 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|2,0,0]=4 5115 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,1,0,1,0,0|2,0,0]=4 5116 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,1,0,1,0,0|2,0,0]=4 5117 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,1,0,1,0,0|2,0,0]=4 5118 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 5119 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,1,0,1,0,0|2,0,0]=4 5120 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,1,0,1,0,0|2,0,0]=4 5121 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,1,0,1,0,0|2,0,0]=4 5122 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,1,0,1,0,0|2,0,0]=4 5123 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,1,0,1,0,0|2,0,0]=4 5124 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,1,0,1,0,0|2,0,0]=4 5125 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,1,0,1,0,0|2,0,0]=4 5126 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,1,0,1,0,0|1,0,0]=3 5127 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,1,0,1,0,0|2,0,0]=4 5128 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,1,0,1,0,0|1,0,0]=3 5129 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,1,0,1,0,0|1,0,0]=3 5130 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,1,0,1,0,0|1,0,0]=3 5131 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,1,0,1,0,0|2,0,0]=4 5132 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,1,0,1,0,0|1,1,0]=4 5133 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,1,0,1,0,0|1,1,0]=4 5134 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,1,0,1,0,0|1,1,0]=4 5135 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,1,0,1,0,0|1,1,0]=4 5136 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,1,0,1,0,0|1,1,0]=4 5137 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,1,0,1,0,0|1,1,0]=4 5138 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,1,0,1,0,0|2,0,0]=4 5139 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,1,0,1,0,0|2,0,0]=4 5140 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,1,0,1,0,0|2,0,0]=4 5141 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [0,1,0,1,0,0|1,0,1]=4 5142 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [0,1,0,1,0,0|1,0,1]=4 5143 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,1,0,1,0,0|2,0,0]=4 5144 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,1,0,1,0,0|2,0,0]=4 5145 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,1,0,1,0,0|1,0,0]=3 5146 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,1,0,1,0,0|2,0,0]=4 5147 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,1,0,1,0,0|1,0,0]=3 5148 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,1,0,1,0,0|1,1,0]=4 5149 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,1,0,1,0,0|1,1,0]=4 5150 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,1,0,1,0,0|1,1,0]=4 5151 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,1,0,1,0,0|1,1,0]=4 5152 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,1,0,1,0,0|1,1,0]=4 5153 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,1,0,1,0,0|1,1,0]=4 5154 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,1,0,1,0,0|2,0,0]=4 5155 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,1,0,1,0,0|2,0,0]=4 5156 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,1,0,1,0,0|2,0,0]=4 5157 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,1,0,1,0,0|2,0,0]=4 5158 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,1,0,1,0,0|1,0,0]=3 5159 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,1,0,1,0,0|1,0,0]=3 5160 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,1,0,1,0,0|1,0,0]=3 5161 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,1,0,1,0,0|1,0,0]=3 5162 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,1,0,1,0,0|2,0,0]=4 5163 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,1,0,1,0,0|2,0,0]=4 5164 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,1,0,1,0,0|2,0,0]=4 5165 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,1,0,1,0,0|2,0,0]=4 5166 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,1,0,1,0,0|2,0,0]=4 5167 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,1,0,1,0,0|2,0,0]=4 5168 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,1,0,1,0,0|2,0,0]=4 5169 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 5170 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 5171 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,1,0,1,0,0|2,0,0]=4 5172 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,1,0,1,0,0|2,0,0]=4 5173 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,1,0,1,0,0|2,0,0]=4 5174 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,1,0,1,0,0|2,0,0]=4 5175 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,1,0,1,0,0|1,0,1]=4 5176 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,1,0,1,0,0|2,0,0]=4 5177 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,1,0,1,0,0|2,0,0]=4 5178 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,1,0,1,0,0|2,0,0]=4 5179 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,1,0,1,0,0|1,0,0]=3 5180 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,1,0,1,0,0|2,0,0]=4 5181 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,1,0,0|1,0,1]=4 5182 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,1,0,0|2,0,0]=4 5183 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,1,0,0|2,0,0]=4 5184 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,1,0,0|2,0,0]=4 5185 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,1,0,0|2,0,0]=4 5186 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,1,0,0|2,0,0]=4 5187 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,1,0,0|2,0,0]=4 5188 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,1,0,0|2,0,0]=4 5189 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,1,0,0|2,0,0]=4 5190 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,1,0,0|2,0,0]=4 5191 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,1,0,0|1,0,0]=3 5192 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,1,0,0|2,0,0]=4 5193 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,1,0,0|1,1,0]=4 5194 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,1,0,0|2,0,0]=4 5195 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,1,0,0|2,0,0]=4 5196 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,1,0,0|1,0,0]=3 5197 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,1,0,0|1,1,0]=4 5198 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,1,0,0|2,0,0]=4 5199 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 5200 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 5201 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 5202 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,1,0,1,0,0|2,0,0]=4 5203 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,1,0,1,0,0|2,0,0]=4 5204 B9R1.53 NC(=O)CN1CC(C1)O 269982a_100000749847_100000187820 [0,1,0,1,0,0|2,0,0]=4 5205 B9R1.53 O=C([O-])CN1CC(C1)O 269982a_100000749847_100020667443 [0,1,0,1,0,0|1,0,1]=4 5206 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,1,0,1,0,0|2,0,0]=4 5207 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,1,0,1,0,0|2,0,0]=4 5208 B9R1.137 NC(=O)CC(=O)C1CO1 1458a_100000701028_100000187820 [0,1,0,1,0,0|1,0,1]=4 5209 B9R1.137 O=C([O-])CC(=O)C1CO1 1458a_100000701028_100020667443 [0,1,0,1,0,0|0,0,2]=4 5210 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,1,0,1,0,0|2,0,0]=4 5211 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,1,0,1,0,0|2,0,0]=4 5212 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,1,0,1,0,0|2,0,0]=4 5213 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|1,0,0]=3 5214 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|2,0,0]=4 5215 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|1,0,0]=3 5216 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|2,0,0]=4 5217 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,1,0,0|2,0,0]=4 5218 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,1,0,0|2,0,0]=4 5219 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|2,0,0]=4 5220 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|2,0,0]=4 5221 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|1,1,0]=4 5222 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|1,0,0]=3 5223 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,1,0,0|2,0,0]=4 5224 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 5225 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 5226 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,1,0,0|2,0,0]=4 5227 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,1,0,0|1,1,0]=4 5228 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,1,0,0|1,1,0]=4 5229 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,1,0,0|1,1,0]=4 5230 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,1,0,0|1,1,0]=4 5231 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|1,0,0]=3 5232 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 5233 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 5234 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|1,0,0]=3 5235 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,1,0,0|2,0,0]=4 5236 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,1,0,0|1,1,0]=4 5237 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|1,0,0]=3 5238 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|1,0,0]=3 5239 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,1,0,0|2,0,0]=4 5240 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|2,0,0]=4 5241 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|2,0,0]=4 5242 B9R1.39 O=C1CCC1NCCO 34a_100016990907_100009892977 [0,1,0,1,0,0|2,0,0]=4 5243 B9R1.39 O=C1CCC1SCCO 62a_100000211926_100009892977 [0,1,0,1,0,0|2,0,0]=4 5244 B9R1.39 O=C1CCC1SCCO 62a_100009892977_100000211926 [0,1,0,1,0,0|2,0,0]=4 5245 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 5246 B9R1.78 O=C(CO)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210174 [0,1,0,1,0,0|2,0,0]=4 5247 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 5248 B9R1.78 O=C(CO)N[C@@H]1C[C@H]1F 527a_100025746932_100000210174 [0,1,0,1,0,0|2,0,0]=4 5249 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [0,1,0,1,0,0|2,0,0]=4 5250 B9R1.79 C#CC(=O)CC1CCO1 1458a_100000211873_100000103362 [0,1,0,1,0,0|1,0,0]=3 5251 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [0,1,0,1,0,0|2,0,0]=4 5252 B9R1.79 C=CC(=O)CC1CCO1 1458a_100000185746_100000103362 [0,1,0,1,0,0|1,0,0]=3 5253 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,1,0,1,0,0|2,0,0]=4 5254 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,1,0,1,0,0|2,0,0]=4 5255 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,1,0,1,0,0|1,0,0]=3 5256 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [0,1,0,1,0,0|2,0,0]=4 5257 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 5258 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 5259 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [0,1,0,1,0,0|2,0,0]=4 5260 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [0,1,0,1,0,0|2,0,0]=4 5261 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [0,1,0,1,0,0|2,0,0]=4 5262 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [0,1,0,1,0,0|1,0,0]=3 5263 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [0,1,0,1,0,0|0,0,0]=2 5264 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [0,1,0,1,0,0|2,0,0]=4 5265 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [0,1,0,1,0,0|2,0,0]=4 5266 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [0,1,0,1,0,0|2,0,0]=4 5267 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [0,1,0,1,0,0|2,0,0]=4 5268 B9R1.80 C#CC(=O)CCC1CO1 1458a_100000211873_100000732470 [0,1,0,1,0,0|1,0,0]=3 5269 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,1,0,1,0,0|2,0,0]=4 5270 B9R1.80 C=CC(=O)CCC1CO1 1458a_100000185746_100000732470 [0,1,0,1,0,0|1,0,0]=3 5271 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [0,1,0,1,0,0|2,0,0]=4 5272 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [0,1,0,1,0,0|2,0,0]=4 5273 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|1,0,0]=3 5274 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [0,1,0,1,0,0|2,0,0]=4 5275 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [0,1,0,1,0,0|2,0,0]=4 5276 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [0,1,0,1,0,0|2,0,0]=4 5277 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [0,1,0,1,0,0|2,0,0]=4 5278 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|2,0,0]=4 5279 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|2,0,0]=4 5280 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [0,1,0,1,0,0|2,0,0]=4 5281 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|1,0,0]=3 5282 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|0,0,0]=2 5283 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|2,0,0]=4 5284 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|2,0,0]=4 5285 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 5286 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 5287 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|2,0,0]=4 5288 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|2,0,0]=4 5289 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|2,0,0]=4 5290 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|2,0,0]=4 5291 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,1,0,1,0,0|0,0,2]=4 5292 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|2,0,0]=4 5293 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|2,0,0]=4 5294 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|2,0,0]=4 5295 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 5296 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 5297 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|2,0,0]=4 5298 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [0,1,0,1,0,0|2,0,0]=4 5299 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|2,0,0]=4 5300 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,1,0,1,0,0|1,0,1]=4 5301 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,1,0,1,0,0|1,0,1]=4 5302 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,1,0,1,0,0|2,0,0]=4 5303 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,1,0,1,0,0|2,0,0]=4 5304 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,1,0,1,0,0|2,0,0]=4 5305 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,1,0,1,0,0|1,0,0]=3 5306 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,1,0,1,0,0|1,0,0]=3 5307 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,1,0,1,0,0|1,0,0]=3 5308 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,1,0,1,0,0|2,0,0]=4 5309 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,1,0,1,0,0|2,0,0]=4 5310 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,1,0,1,0,0|2,0,0]=4 5311 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,1,0,1,0,0|1,0,0]=3 5312 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,1,0,1,0,0|1,1,0]=4 5313 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,1,0,1,0,0|2,0,0]=4 5314 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,1,0,1,0,0|2,0,0]=4 5315 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|2,0,0]=4 5316 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,1,0,1,0,0|1,0,1]=4 5317 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,1,0,1,0,0|1,0,1]=4 5318 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,1,0,1,0,0|2,0,0]=4 5319 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,1,0,1,0,0|1,0,0]=3 5320 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,1,0,1,0,0|1,0,0]=3 5321 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,1,0,1,0,0|2,0,0]=4 5322 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,1,0,1,0,0|2,0,0]=4 5323 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,1,0,1,0,0|1,0,0]=3 5324 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,1,0,1,0,0|1,1,0]=4 5325 B9R1.9 C=C1CC(C1)NCCO 2230a_100132301982_100000211926 [0,1,0,1,0,0|2,0,0]=4 5326 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,1,0,1,0,0|2,0,0]=4 5327 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,1,0,1,0,0|2,0,0]=4 5328 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,1,0,1,0,0|2,0,0]=4 5329 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,1,0,1,0,0|2,0,0]=4 5330 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,1,0,1,0,0|2,0,0]=4 5331 B9R1.9 COCSC1CC(=O)C1 62a_100009894365_100000766300 [0,1,0,1,0,0|2,0,0]=4 5332 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [0,1,0,1,0,0|2,0,0]=4 5333 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [0,1,0,1,0,0|2,0,0]=4 5334 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [0,1,0,1,0,0|2,0,0]=4 5335 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [0,1,0,1,0,0|2,0,0]=4 5336 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [0,1,0,1,0,0|1,0,0]=3 5337 B9R1.9 OCCCN1CC(C1)O 269982a_100000749847_100011215043 [0,1,0,1,0,0|1,0,1]=4 5338 B9R1.9 OCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000211926 [0,1,0,1,0,0|1,0,1]=4 5339 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,1,0,1,0,0|2,0,0]=4 5340 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,1,0,1,0,0|2,0,0]=4 5341 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,1,0,1,0,0|2,0,0]=4 5342 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,1,0,1,0,0|1,0,1]=4 5343 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,1,0,1,0,0|2,0,0]=4 5344 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,1,0,1,0,0|2,0,0]=4 5345 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,1,0,1,0,0|1,0,1]=4 5346 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,1,0,1,0,0|1,0,1]=4 5347 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [0,1,0,1,0,0|1,0,1]=4 5348 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [0,1,0,1,0,0|1,0,1]=4 5349 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [0,1,0,1,0,0|1,0,1]=4 5350 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [0,1,0,1,0,0|1,0,1]=4 5351 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [0,1,0,1,0,0|1,0,1]=4 5352 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [0,1,0,1,0,0|1,0,1]=4 5353 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [0,1,0,1,0,0|1,0,1]=4 5354 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [0,1,0,1,0,0|1,0,1]=4 5355 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [0,1,0,1,0,0|1,0,1]=4 5356 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [0,1,0,1,0,0|1,0,1]=4 5357 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,1,0,1,0,0|2,0,0]=4 5358 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,1,0,1,0,0|2,0,0]=4 5359 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,1,0,1,0,0|2,0,0]=4 5360 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,1,0,1,0,0|2,0,0]=4 5361 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,1,0,1,0,0|2,0,0]=4 5362 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,1,0,1,0,0|2,0,0]=4 5363 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,1,0,1,0,0|2,0,0]=4 5364 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,1,0,1,0,0|2,0,0]=4 5365 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,1,0,1,0,0|2,0,0]=4 5366 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,1,0,1,0,0|2,0,0]=4 5367 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,1,0,1,0,0|2,0,0]=4 5368 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 5369 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 5370 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,1,0,1,0,0|1,0,0]=3 5371 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,1,0,1,0,0|1,0,0]=3 5372 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,1,0,1,0,0|2,0,0]=4 5373 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,1,0,1,0,0|2,0,0]=4 5374 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,1,0,1,0,0|2,0,0]=4 5375 B9R1.84 NC(=O)CNC1COC1 2230a_100016991112_100000747473 [0,1,0,1,0,0|2,0,0]=4 5376 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,1,0,1,0,0|2,0,0]=4 5377 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,1,0,1,0,0|2,0,0]=4 5378 B9R1.84 NC(=O)CSC1COC1 62a_100000747473_100009818527 [0,1,0,1,0,0|2,0,0]=4 5379 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,1,0,1,0,0|1,0,0]=3 5380 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,1,0,1,0,0|1,0,0]=3 5381 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,1,0,1,0,0|1,0,1]=4 5382 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,1,0,1,0,0|1,0,1]=4 5383 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,1,0,1,0,0|1,0,1]=4 5384 B9R1.84 O=C([O-])CSC1COC1 62a_100020667443_100009818527 [0,1,0,1,0,0|1,0,1]=4 5385 B9R1.85 C=C(C)COCC1CO1 34a_100000210245_102125554688 [0,1,0,1,0,0|2,0,0]=4 5386 B9R1.85 C=C(C)COC[C@@H]1CO1 34a_100000757423_100000748629 [0,1,0,1,0,0|2,0,0]=4 5387 B9R1.85 C=C(C)CSCC1CO1 62a_100000748629_102125554688 [0,1,0,1,0,0|2,0,0]=4 5388 B9R1.85 C=C(C)CSCC1CO1 62a_102125554688_100000211660 [0,1,0,1,0,0|2,0,0]=4 5389 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000745022_100000211660 [0,1,0,1,0,0|2,0,0]=4 5390 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000748629_100000745022 [0,1,0,1,0,0|2,0,0]=4 5391 B9R1.85 C=C(F)COCC1CO1 34a_200010262243_102125554688 [0,1,0,1,0,0|2,0,0]=4 5392 B9R1.85 C=C(F)COC[C@@H]1CO1 34a_100000757423_100009893438 [0,1,0,1,0,0|2,0,0]=4 5393 B9R1.85 C=C(F)CSCC1CO1 62a_100000042424_102125554688 [0,1,0,1,0,0|2,0,0]=4 5394 B9R1.85 C=C(F)CSCC1CO1 62a_102125554688_100000042424 [0,1,0,1,0,0|2,0,0]=4 5395 B9R1.85 C=C(F)CSC[C@@H]1CO1 62a_100000042424_100000745022 [0,1,0,1,0,0|2,0,0]=4 5396 B9R1.85 C=C(F)CSC[C@@H]1CO1 62a_100000745022_100000042424 [0,1,0,1,0,0|2,0,0]=4 5397 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,1,0,1,0,0|1,0,0]=3 5398 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,1,0,1,0,0|2,0,0]=4 5399 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,1,0,1,0,0|2,0,0]=4 5400 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,1,0,1,0,0|2,0,0]=4 5401 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,1,0,1,0,0|1,0,0]=3 5402 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,1,0,1,0,0|2,0,0]=4 5403 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,1,0,1,0,0|2,0,0]=4 5404 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,1,0,1,0,0|2,0,0]=4 5405 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,1,0,1,0,0|2,0,0]=4 5406 B9R1.85 CC(O)CNCC1CO1 2230a_100000210904_100011216344 [0,1,0,1,0,0|1,0,1]=4 5407 B9R1.85 CC(O)CNCC1CO1 34a_100000210904_102125554688 [0,1,0,1,0,0|1,0,1]=4 5408 B9R1.85 CC(O)COC[C@@H]1CO1 34a_100000757423_100011218427 [0,1,0,1,0,0|1,0,1]=4 5409 B9R1.85 CC(O)CSCC1CO1 62a_100011218427_102125554688 [0,1,0,1,0,0|1,0,1]=4 5410 B9R1.85 CC(O)CSCC1CO1 62a_102125554688_100011218427 [0,1,0,1,0,0|1,0,1]=4 5411 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100000745022_100011218427 [0,1,0,1,0,0|1,0,1]=4 5412 B9R1.85 CC(O)CSC[C@@H]1CO1 62a_100011218427_100000745022 [0,1,0,1,0,0|1,0,1]=4 5413 B9R1.85 C[C@@H](O)COC[C@@H]1CO1 34a_100000757423_100009817552 [0,1,0,1,0,0|1,0,1]=4 5414 B9R1.85 C[C@@H](O)CSCC1CO1 62a_100009817552_102125554688 [0,1,0,1,0,0|1,0,1]=4 5415 B9R1.85 C[C@@H](O)CSCC1CO1 62a_102125554688_100009817552 [0,1,0,1,0,0|1,0,1]=4 5416 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100000745022_100009817552 [0,1,0,1,0,0|1,0,1]=4 5417 B9R1.85 C[C@@H](O)CSC[C@@H]1CO1 62a_100009817552_100000745022 [0,1,0,1,0,0|1,0,1]=4 5418 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,1,0,1,0,0|2,0,0]=4 5419 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,1,0,1,0,0|2,0,0]=4 5420 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,1,0,1,0,0|2,0,0]=4 5421 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,1,0,1,0,0|2,0,0]=4 5422 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,1,0,1,0,0|2,0,0]=4 5423 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,1,0,1,0,0|2,0,0]=4 5424 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [0,1,0,1,0,0|1,0,0]=3 5425 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,1,0,1,0,0|2,0,0]=4 5426 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [0,1,0,1,0,0|1,0,0]=3 5427 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,1,0,1,0,0|2,0,0]=4 5428 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,1,0,1,0,0|2,0,0]=4 5429 B9R1.85 NC(=O)CSCC1CO1 62a_100000747473_102125554688 [0,1,0,1,0,0|1,0,0]=3 5430 B9R1.85 NC(=O)CSCC1CO1 62a_102125554688_100000747473 [0,1,0,1,0,0|1,0,0]=3 5431 B9R1.85 NC(=O)CSCC1CS1 62a_100000031435_100000747473 [0,1,0,1,0,0|1,1,0]=4 5432 B9R1.85 NC(=O)CSCC1CS1 62a_100000747473_100000031435 [0,1,0,1,0,0|1,1,0]=4 5433 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747473 [0,1,0,1,0,0|1,0,0]=3 5434 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000747473_100000745022 [0,1,0,1,0,0|1,0,0]=3 5435 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,1,0,1,0,0|1,0,0]=3 5436 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,1,0,1,0,0|0,0,0]=2 5437 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,1,0,1,0,0|0,1,0]=3 5438 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,1,0,1,0,0|0,0,0]=2 5439 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,1,0,1,0,0|2,0,0]=4 5440 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,1,0,1,0,0|1,0,1]=4 5441 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,1,0,1,0,0|1,0,1]=4 5442 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [0,1,0,1,0,0|0,0,1]=3 5443 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,1,0,1,0,0|1,0,1]=4 5444 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,1,0,1,0,0|1,0,1]=4 5445 B9R1.85 O=C([O-])CSCC1CO1 62a_100020667443_102125554688 [0,1,0,1,0,0|0,0,1]=3 5446 B9R1.85 O=C([O-])CSCC1CO1 62a_102125554688_100020667443 [0,1,0,1,0,0|0,0,1]=3 5447 B9R1.85 O=C([O-])CSCC1CS1 62a_100000031435_100020667443 [0,1,0,1,0,0|0,1,1]=4 5448 B9R1.85 O=C([O-])CSCC1CS1 62a_100020667443_100000031435 [0,1,0,1,0,0|0,1,1]=4 5449 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100000745022_100020667443 [0,1,0,1,0,0|0,0,1]=3 5450 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100020667443_100000745022 [0,1,0,1,0,0|0,0,1]=3 5451 B9R1.85 O=[N+]([O-])COC[C@@H]1CO1 34a_100000757423_100000761209 [0,1,0,1,0,0|1,0,1]=4 5452 B9R1.85 O=[N+]([O-])CSCC1CO1 62a_102125554688_100000761209 [0,1,0,1,0,0|1,0,1]=4 5453 B9R1.85 O=[N+]([O-])CSC[C@@H]1CO1 62a_100000745022_100000761209 [0,1,0,1,0,0|1,0,1]=4 5454 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,1,0,1,0,0|2,0,0]=4 5455 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|1,0,0]=3 5456 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,1,0,0|1,0,0]=3 5457 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,1,0,0|1,0,0]=3 5458 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,1,0,0|2,0,0]=4 5459 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,1,0,0|2,0,0]=4 5460 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,1,0,1,0,0|0,0,2]=4 5461 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,1,0,0|1,0,0]=3 5462 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,1,0,1,0,0|0,0,2]=4 5463 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|1,0,0]=3 5464 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,1,0,1,0,0|2,0,0]=4 5465 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,1,0,1,0,0|2,0,0]=4 5466 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|2,0,0]=4 5467 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|1,0,0]=3 5468 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|2,0,0]=4 5469 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|2,0,0]=4 5470 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,1,0,0|2,0,0]=4 5471 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,1,0,0|2,0,0]=4 5472 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,1,0,0|1,0,0]=3 5473 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,1,0,0|2,0,0]=4 5474 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,1,0,0|1,0,0]=3 5475 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,1,0,0|2,0,0]=4 5476 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000070787_100009817841 [0,1,0,1,0,0|2,0,0]=4 5477 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000138109_200000210301 [0,1,0,1,0,0|2,0,0]=4 5478 B9R1.170 [13CH3]C(=O)CC1CC1(F)F 1458a_100000138109_200025704644 [0,1,0,1,0,0|2,0,0]=4