0 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,0,0,0,0,0|1,0,3]=4 5 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,0,0,0,0,0|1,0,3]=4 6 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,0,0,0,0,0|1,0,3]=4 9 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,0,0,0,0,0|1,0,3]=4 10 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,0,0,0,0,0|1,0,3]=4 11 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,0,0,0,0,0|1,0,3]=4 19 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,0,0,0,0,0|1,0,3]=4 20 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,0,0,0,0,0|1,0,3]=4 21 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,0,0,0,0,0|1,0,3]=4 23 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,0,0,0,0,0|1,0,3]=4 24 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [0,0,0,0,0,0|1,0,3]=4 25 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [0,0,0,0,0,0|1,0,3]=4 26 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [0,0,0,0,0,0|1,0,3]=4 27 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,0,0,0,0,0|3,0,1]=4 43 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,0,0,0,0,0|3,0,1]=4 44 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,0,0,0,0,0|3,0,1]=4 45 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,0,0,0,0,0|3,0,1]=4 55 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,0,0,0,0|1,0,2]=3 67 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,0,0,0,0|1,0,2]=3 68 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,0,0,0,0|1,0,2]=3 69 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,0,0,0,0|1,0,2]=3 70 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,0,0,0,0,0|2,0,1]=3 74 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,0,0,0,0,0|2,0,1]=3 75 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,0,0,0,0,0|2,0,1]=3 76 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,0,0,0,0,0|2,0,1]=3 77 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,0,0,0,0,0|2,0,1]=3 78 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,0,0,0,0,0|2,0,2]=4 79 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,0,0,0,0,0|2,0,2]=4 80 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,0,0,0,0,0|2,0,2]=4 81 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,0,0,0,0,0|2,0,2]=4 82 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,0,0,0,0,0|2,0,1]=3 83 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,0,0,0,0,0|2,0,1]=3 84 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,0,0,0,0,0|2,0,1]=3 85 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,0,0,0,0,0|2,0,1]=3 86 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,0,0,0,0,0|2,0,1]=3 87 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,0,0,0,0,0|2,0,1]=3 88 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,0,0,0,0,0|2,0,1]=3 89 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,0,0,0,0,0|2,0,1]=3 90 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,0,0,0,0,0|2,0,1]=3 91 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,0,0,0,0,0|2,0,1]=3 95 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,0,0,0,0,0|2,0,1]=3 96 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,0,0,0,0,0|2,0,1]=3 97 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,0,0,0,0,0|2,0,1]=3 98 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,0,0,0,0|1,1,2]=4 99 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,0,0,0,0|1,1,2]=4 100 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [0,0,0,0,0,0|1,0,3]=4 101 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [0,0,0,0,0,0|1,0,3]=4 102 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [0,0,0,0,0,0|1,0,3]=4 103 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,0,0,0,0,0|1,0,3]=4 105 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,0,0,0,0,0|1,0,3]=4 106 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,0,0,0,0,0|1,0,1]=2 107 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,0,0,0,0,0|1,0,1]=2 108 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [0,0,0,0,0,0|1,0,1]=2 109 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [0,0,0,0,0,0|1,0,1]=2 110 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,0,0,0,0,0|2,0,1]=3 111 B9R0.2 CCCC#CCOC(C)C 34a_100000034806_100000210206 [0,0,0,0,0,0|1,0,3]=4 112 B9R0.2 CCCC#CCOC(C)C 7a_100000034806_100000210206 [0,0,0,0,0,0|1,0,3]=4 113 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,0,0,0,0,0|1,0,2]=3 114 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,0,0,0,0,0|1,0,2]=3 115 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,0,0,0,0,0|2,0,1]=3 116 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,0,0,0,0|1,0,3]=4 117 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,0,0,0,0|1,0,3]=4 118 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,0,0,0,0|1,0,3]=4 119 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,0,0,0,0|1,0,3]=4 120 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,0,0,0,0|1,0,2]=3 121 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,0,0,0,0|1,0,2]=3 122 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,0,0,0,0|1,0,2]=3 123 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 124 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 125 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,0,0,0,0|1,0,2]=3 126 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,0,0,0,0|1,0,2]=3 127 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,0,0,0,0,0|1,0,3]=4 128 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,0,0,0,0,0|1,0,3]=4 129 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,0,0,0,0,0|1,0,3]=4 130 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,0,0,0,0|2,0,2]=4 131 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,0,0,0,0|2,0,2]=4 132 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,0,0,0,0|2,0,1]=3 136 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,0,0,0,0,0|3,0,1]=4 140 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,0,0,0,0,0|3,0,1]=4 141 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,0,0,0,0|2,0,1]=3 143 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,0,0,0,0|2,0,1]=3 144 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,0,0,0,0|2,0,1]=3 145 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,0,0,0,0|2,0,1]=3 146 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,0,0,0,0,0|3,0,1]=4 147 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,0,0,0,0,0|3,0,1]=4 148 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,0,0,0,0,0|3,0,1]=4 149 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,0,0,0,0|1,0,1]=2 151 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [0,0,0,0,0,0|2,0,2]=4 152 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [0,0,0,0,0,0|2,0,2]=4 153 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,0,0,0,0|2,0,1]=3 156 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,0,0,0,0|2,0,1]=3 157 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,0,0,0,0,0|3,0,1]=4 159 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,0,0,0,0|1,0,1]=2 160 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,0,0,0,0|1,0,1]=2 161 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [0,0,0,0,0,0|2,0,2]=4 162 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,0,0,0,0|3,0,1]=4 164 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,0,0,0,0|2,0,1]=3 166 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [0,0,0,0,0,0|2,0,2]=4 168 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [0,0,0,0,0,0|2,0,2]=4 169 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,0,0,0,0|2,0,1]=3 171 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,0,0,0,0|2,0,1]=3 172 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,0,0,0,0|2,0,1]=3 173 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,0,0,0,0|2,0,1]=3 175 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,0,0,0,0|2,0,1]=3 176 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,0,0,0,0|2,0,1]=3 177 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,0,0,0,0|2,0,1]=3 178 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,0,0,0,0|1,0,1]=2 180 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,0,0,0,0,0|2,0,1]=3 181 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,0,0,0,0,0|2,0,1]=3 182 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,0,0,0,0,0|2,0,2]=4 183 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,0,0,0,0,0|2,0,2]=4 184 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,0,0,0,0,0|2,0,2]=4 185 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,0,0,0,0,0|2,0,2]=4 188 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,0,0,0,0,0|3,0,1]=4 190 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,0,0,0,0|2,0,1]=3 191 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,0,0,0,0|2,0,1]=3 192 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,0,0,0,0|3,0,1]=4 193 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,0,0,0,0|3,0,1]=4 194 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,0,0,0,0|2,0,1]=3 195 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,0,0,0,0|2,0,1]=3 196 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,0,0,0,0|2,0,1]=3 197 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,0,0,0,0|2,0,1]=3 198 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,0,0,0,0|2,0,1]=3 199 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,0,0,0,0,0|3,0,1]=4 200 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,0,0,0,0,0|3,0,1]=4 201 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,0,0,0,0|1,0,1]=2 202 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,0,0,0,0|1,0,1]=2 203 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,0,0,0,0,0|2,0,1]=3 204 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,0,0,0,0,0|2,0,1]=3 205 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [0,0,0,0,0,0|2,0,2]=4 206 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [0,0,0,0,0,0|2,0,2]=4 207 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [0,0,0,0,0,0|2,0,2]=4 208 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [0,0,0,0,0,0|2,0,2]=4 209 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,0,0,0,0|2,0,2]=4 210 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,0,0,0,0,0|1,1,2]=4 211 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,0,0,0,0|1,1,2]=4 212 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,0,0,0,0|2,0,2]=4 213 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 214 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 215 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,0,0,0,0|2,0,2]=4 216 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,0,0,0,0|2,0,2]=4 217 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,0,0,0,0|2,0,2]=4 218 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,0,0,0,0|1,0,2]=3 219 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,0,0,0,0,0|1,1,2]=4 220 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,0,0,0,0|1,1,2]=4 221 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,0,0,0,0,0|3,0,1]=4 222 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,0,0,0,0,0|3,0,1]=4 223 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,0,0,0,0,0|2,0,1]=3 224 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,0,0,0,0,0|2,0,1]=3 225 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,0,0,0,0|2,0,2]=4 226 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,0,0,0,0|2,0,2]=4 227 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,0,0,0,0|1,0,2]=3 228 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,0,0,0,0|1,0,2]=3 229 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,0,0,0,0,0|1,1,2]=4 230 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,0,0,0,0,0|1,1,2]=4 231 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,0,0,0,0|1,1,2]=4 232 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,0,0,0,0|1,1,2]=4 233 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,0,0,0,0|2,0,2]=4 234 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,0,0,0,0|2,0,2]=4 235 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,0,0,0,0|1,0,2]=3 236 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,0,0,0,0|1,0,2]=3 237 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,0,0,0,0|1,1,2]=4 238 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,0,0,0,0|1,1,2]=4 239 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,0,0,0,0|1,1,2]=4 240 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,0,0,0,0,0|2,0,1]=3 241 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,0,0,0,0|2,0,2]=4 242 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,0,0,0,0|2,0,2]=4 243 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,0,0,0,0|1,0,2]=3 244 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,0,0,0,0|1,0,2]=3 245 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,0,0,0,0|1,0,2]=3 246 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,0,0,0,0|1,1,2]=4 247 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,0,0,0,0,0|3,0,1]=4 249 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,0,0,0,0,0|3,0,1]=4 252 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,0,0,0,0,0|2,0,1]=3 253 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,0,0,0,0,0|3,0,1]=4 254 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,0,0,0,0,0|3,0,1]=4 255 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,0,0,0,0,0|2,0,1]=3 256 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,0,0,0,0,0|2,0,1]=3 257 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,0,0,0,0,0|3,0,1]=4 258 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,0,0,0,0,0|2,0,1]=3 259 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,0,0,0,0,0|3,0,1]=4 260 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,0,0,0,0,0|3,0,1]=4 261 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,0,0,0,0,0|3,0,1]=4 262 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,0,0,0,0,0|3,0,1]=4 263 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,0,0,0,0,0|2,0,1]=3 264 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,0,0,0,0,0|2,0,1]=3 265 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,0,0,0,0,0|3,0,1]=4 266 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,0,0,0,0,0|3,0,1]=4 267 B9R0.2 CSCCC=NNC(=O)C 4a_100000189765_100000210997 [0,0,0,0,0,0|3,0,1]=4 268 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,0,0,0,0|1,0,2]=3 269 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,0,0,0,0|1,0,2]=3 270 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,0,0,0,0|1,1,2]=4 271 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,0,0,0,0|1,1,2]=4 272 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,0,0,0,0,0|3,0,1]=4 273 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,0,0,0,0,0|3,0,1]=4 274 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,0,0,0,0,0|3,0,1]=4 275 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,0,0,0,0,0|2,0,1]=3 276 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,0,0,0,0,0|3,0,1]=4 277 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,0,0,0,0,0|3,0,1]=4 278 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,0,0,0,0,0|2,0,1]=3 279 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,0,0,0,0,0|2,0,1]=3 280 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,0,0,0,0,0|3,0,1]=4 281 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,0,0,0,0,0|3,0,1]=4 282 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,0,0,0,0,0|3,0,1]=4 283 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,0,0,0,0,0|2,0,1]=3 284 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,0,0,0,0,0|2,0,1]=3 285 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,0,0,0,0,0|3,0,1]=4 286 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,0,0,0,0,0|3,0,1]=4 287 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,0,0,0,0,0|3,0,1]=4 288 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,0,0,0,0,0|3,0,1]=4 289 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,0,0,0,0,0|2,0,1]=3 290 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,0,0,0,0,0|2,0,1]=3 291 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,0,0,0,0,0|3,0,1]=4 292 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,0,0,0,0,0|3,0,1]=4 293 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,0,0,0,0,0|3,0,1]=4 294 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,0,0,0,0,0|3,0,1]=4 295 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,0,0,0,0,0|3,0,1]=4 296 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,0,0,0,0,0|3,0,1]=4 297 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,0,0,0,0,0|3,0,1]=4 298 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,0,0,0,0,0|3,0,1]=4 299 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,0,0,0,0,0|3,0,1]=4 300 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,0,0,0,0,0|3,0,1]=4 301 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,0,0,0,0,0|3,0,1]=4 302 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,0,0,0,0,0|3,0,1]=4 303 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,0,0,0,0|2,0,2]=4 304 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,0,0,0,0|0,0,3]=4 305 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|1,0,2]=4 313 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|1,0,2]=4 314 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,0,0,0,0,0|1,0,2]=4 315 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,0,0,0,0,0|1,0,2]=4 316 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|0,0,3]=4 317 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|0,0,3]=4 318 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|0,0,3]=4 319 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|0,0,1]=2 326 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|0,0,1]=2 327 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [1,0,0,0,0,0|1,0,1]=3 328 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [1,0,0,0,0,0|1,0,1]=3 329 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,0,0,0,0,0|0,0,3]=4 330 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,0,0,0,0,0|0,0,3]=4 331 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,0,0,0,0,0|2,0,1]=4 332 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,0,0,0,0,0|2,0,1]=4 333 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,0,0,0,0,0|2,0,1]=4 334 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,0,0,0,0,0|2,0,1]=4 335 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|0,0,3]=4 336 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|0,0,3]=4 337 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|0,0,3]=4 338 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|1,0,2]=4 339 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|1,0,2]=4 340 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|1,0,2]=4 341 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|1,0,2]=4 342 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|1,0,2]=4 343 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|1,0,2]=4 344 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|1,0,2]=4 345 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|1,0,2]=4 346 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|1,0,2]=4 347 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|1,0,2]=4 348 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|1,0,2]=4 349 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|1,0,2]=4 352 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|1,0,2]=4 353 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|1,0,2]=4 354 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|1,0,2]=4 355 B8R0.7 C#CCNCOC(=O)C 34a_100000212058_100009813279 [1,0,0,0,0,0|1,0,2]=4 356 B8R0.7 C#CCOCOC(=O)C 34a_100000210247_100009813279 [1,0,0,0,0,0|1,0,2]=4 357 B8R0.7 C#CCSCOC(=O)C 62a_100000038162_100000076356 [1,0,0,0,0,0|1,0,2]=4 358 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|2,0,1]=4 359 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|2,0,1]=4 360 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|2,0,1]=4 362 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,0,0,0,0,0|2,0,1]=4 363 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,0,0,0,0,0|2,0,1]=4 366 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,0,0,0,0,0|2,0,1]=4 367 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,0,0,0,0,0|2,0,1]=4 368 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,0,0,0,0,0|2,0,1]=4 369 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,0,0,0,0,0|1,0,2]=4 370 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [1,0,0,0,0,0|1,0,2]=4 371 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [1,0,0,0,0,0|1,0,2]=4 372 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|1,0,2]=4 373 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,2]=4 374 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,2]=4 375 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|1,0,2]=4 376 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|1,0,2]=4 377 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|2,0,1]=4 386 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|2,0,1]=4 387 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,0,0,0,0,0|2,0,1]=4 388 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|1,0,1]=3 394 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|1,0,1]=3 395 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,0,0,0,0,0|2,0,1]=4 396 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,0,0,0,0,0|2,0,1]=4 397 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,0,0,0,0,0|2,0,0]=3 398 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,0,0,0,0,0|2,0,0]=3 399 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,0,0,0,0,0|2,0,0]=3 400 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,0,0,0,0,0|2,0,0]=3 401 B8R0.7 CC(=O)OCSCC#N 62a_100000076356_100011215382 [1,0,0,0,0,0|2,0,1]=4 402 B8R0.7 CC(=O)OCSCC#N 62a_100011215382_100000076356 [1,0,0,0,0,0|2,0,1]=4 403 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,0,0,0,0|2,0,1]=4 404 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,0,0,0,0|2,0,1]=4 405 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,0,0,0,0,0|2,0,0]=3 406 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,0,0,0,0,0|2,0,0]=3 407 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,0,0,0,0,0|2,0,0]=3 408 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,0,0,0,0,0|2,0,0]=3 409 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,0,0,0,0|1,1,1]=4 410 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,0,0,0,0|1,1,1]=4 411 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,0,0,0,0,0|1,1,1]=4 412 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,0,0,0,0,0|1,1,1]=4 413 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|1,0,0]=2 414 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,0,0,0,0,0|3,0,0]=4 415 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,0,0,0,0,0|3,0,0]=4 416 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,0,0,0,0,0|2,0,1]=4 417 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,0,0,0,0,0|2,0,1]=4 418 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,0,0,0,0,0|1,0,1]=3 419 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,0,0,0,0,0|1,0,1]=3 420 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,0,0,0,0,0|1,1,1]=4 421 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,0,0,0,0,0|1,1,1]=4 422 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|0,0,0]=1 423 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|0,0,0]=1 424 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [1,0,0,0,0,0|2,0,0]=3 425 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|0,0,2]=3 426 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|0,0,2]=3 427 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|0,0,2]=3 428 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|0,0,2]=3 429 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|0,0,2]=3 430 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 431 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 432 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|1,0,1]=3 433 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|1,0,1]=3 434 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|1,0,2]=4 435 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|1,0,2]=4 436 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|1,0,2]=4 437 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,0,0,0,0|2,0,1]=4 440 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,1]=4 441 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,0,0,0,0|2,0,1]=4 442 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|1,0,1]=3 443 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|1,0,1]=3 444 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|1,0,1]=3 445 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,0,0,0,0|2,0,1]=4 446 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,0,0,0,0|2,0,1]=4 447 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|1,0,1]=3 448 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,0,0,0,0|2,0,1]=4 449 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|1,0,1]=3 450 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,0,0,0,0|2,0,1]=4 451 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,0,0,0,0|2,0,1]=4 452 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|1,0,1]=3 453 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,0,0,0,0|2,0,1]=4 454 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,0,0,0,0|2,0,1]=4 455 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,0,0,0,0,0|3,0,0]=4 458 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|1,0,1]=3 460 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|1,0,1]=3 461 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|1,0,1]=3 462 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|2,0,1]=4 463 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|2,0,1]=4 464 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|2,0,1]=4 465 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|1,0,0]=2 466 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|1,0,1]=3 470 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|1,0,1]=3 471 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|2,0,1]=4 472 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|2,0,1]=4 473 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|1,0,0]=2 474 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|1,0,0]=2 475 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,0,0,0,0,0|2,0,1]=4 476 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,0,0,0,0,0|2,0,1]=4 477 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,0,0,0,0|2,0,1]=4 478 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,0,0,0,0|2,0,1]=4 479 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|1,0,2]=4 480 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|1,0,2]=4 481 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|1,0,2]=4 482 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|1,0,2]=4 483 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,0,0,0,0|2,0,1]=4 484 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,0,0,0,0|2,0,1]=4 485 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,0,0,0,0|2,0,1]=4 486 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,0,0,0,0|2,0,1]=4 487 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,0,0,0,0|2,0,1]=4 488 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|1,0,1]=3 489 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,0,0,0,0|2,0,1]=4 490 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,0,0,0,0|2,0,1]=4 491 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|1,0,2]=4 492 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|1,0,2]=4 493 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,0,0,0,0|2,0,1]=4 494 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,0,0,0,0|2,0,1]=4 496 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,0,0,0,0|2,0,1]=4 497 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,0,0,0,0|2,0,1]=4 498 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,0,0,0,0|2,0,1]=4 499 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|1,0,1]=3 500 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|1,0,1]=3 501 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,0,0,0,0,0|2,0,1]=4 502 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,0,0,0,0,0|2,0,1]=4 503 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|1,0,2]=4 504 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|1,0,2]=4 505 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,0,0,0,0|2,0,1]=4 506 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|1,0,1]=3 507 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|1,0,1]=3 508 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,0,0,0,0,0|1,1,1]=4 509 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,0,0,0,0,0|1,1,1]=4 510 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,0,0,0,0,0|1,1,1]=4 511 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,0,0,0,0|1,1,1]=4 512 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,0,0,0,0|1,1,1]=4 513 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,0,0,0,0|1,1,1]=4 514 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|1,0,2]=4 515 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|1,0,2]=4 516 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|2,0,1]=4 517 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|2,0,1]=4 518 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|2,0,1]=4 519 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|2,0,1]=4 520 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|1,0,1]=3 521 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,0,0,0,0,0|1,1,1]=4 522 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|1,1,1]=4 523 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,0,0,0,0,0|2,0,1]=4 524 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,0,0,0,0,0|2,0,1]=4 525 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,0,0,0,0,0|2,0,1]=4 526 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|2,0,1]=4 527 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|2,0,1]=4 528 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,0,0,0,0,0|2,0,0]=3 529 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,0,0,0,0,0|2,0,0]=3 530 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|1,0,2]=4 531 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|1,0,2]=4 532 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 533 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 534 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,0,0,0,0|2,0,1]=4 535 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,0,0,0,0|2,0,1]=4 536 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|1,0,1]=3 537 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|1,0,1]=3 538 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,0,0,0,0,0|1,1,1]=4 539 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,0,0,0,0,0|1,1,1]=4 540 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,0,0,0,0|1,1,1]=4 541 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,0,0,0,0|1,1,1]=4 542 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,0,0,0,0,0|2,0,1]=4 543 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,0,0,0,0,0|2,0,1]=4 544 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|2,0,1]=4 545 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|2,0,1]=4 546 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,0,0,0,0,0|2,0,0]=3 547 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,0,0,0,0,0|2,0,0]=3 548 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,2]=4 549 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|2,0,1]=4 550 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,1,0,0,0,0|0,0,3]=4 551 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,1,0,0,0,0|0,0,3]=4 552 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,1,0,0,0,0|0,0,3]=4 553 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,0|2,0,1]=4 554 B10R0.3 CC(=O)NCCC(=O)CCF 1458a_100000183196_100011217306 [0,1,0,0,0,0|2,0,1]=4 555 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,1,0,0,0,0|2,0,1]=4 556 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,1,0,0,0,0|2,0,1]=4 557 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,1,0,0,0,0|1,0,2]=4 558 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,1,0,0,0,0|1,0,1]=3 559 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,1,0,0,0,0|2,0,1]=4 560 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,1,0,0,0,0|2,0,1]=4 561 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,1,0,0,0,0|2,0,1]=4 562 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,1,0,0,0,0|2,0,1]=4 563 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,1,0,0,0,0|2,0,1]=4 564 B10R0.3 CC(=O)SCCC(=O)CCF 1458a_100000048949_100011217306 [0,1,0,0,0,0|1,1,1]=4 565 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,1,0,0,0,0|1,1,1]=4 566 B10R0.3 CC/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020678925 [0,1,0,0,0,0|2,0,1]=4 567 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,1,0,0,0,0|0,0,3]=4 568 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,0|2,0,1]=4 569 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|1,0,1]=3 570 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,0,0,0,0|2,0,1]=4 571 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,0,0,0,0|1,0,1]=3 572 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,0,0,0,0|1,0,1]=3 573 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,1,0,0,0,0|2,0,1]=4 574 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,1,0,0,0,0|2,0,1]=4 575 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,0|0,0,1]=2 576 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,1,0,0,0,0|1,0,1]=3 577 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,1,0,0,0,0|1,0,2]=4 578 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,0,0,0,0|0,1,1]=3 579 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,1,0,0,0,0|3,0,0]=4 580 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,1,0,0,0,0|3,0,0]=4 581 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,1,0,0,0,0|3,0,0]=4 582 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 583 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 584 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,1,0,0,0,0|3,0,0]=4 585 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,1,0,0,0,0|2,0,1]=4 586 B10R0.3 CCCC(C)C=NNC(=O)C 4a_100000189765_100000243154 [0,1,0,0,0,0|2,0,1]=4 587 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,1,0,0,0,0|2,0,1]=4 588 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,1,0,0,0,0|2,0,1]=4 589 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,1,0,0,0,0|2,0,1]=4 590 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,1,0,0,0,0|1,0,1]=3 591 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,1,0,0,0,0|2,0,1]=4 592 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,1,0,0,0,0|2,0,1]=4 593 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,1,0,0,0,0|1,0,1]=3 594 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,1,0,0,0,0|1,0,1]=3 595 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,1,0,0,0,0|2,0,1]=4 596 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,1,0,0,0,0|2,0,1]=4 597 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,1,0,0,0,0|2,0,1]=4 598 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,1,0,0,0,0|1,0,1]=3 599 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,1,0,0,0,0|2,0,1]=4 600 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,0|2,0,1]=4 601 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,0|2,0,1]=4 602 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 603 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 604 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 605 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 606 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 607 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 608 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,1,0,0,0,0|2,0,1]=4 609 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,1,0,0,0,0|1,1,1]=4 610 B10R0.3 CCNC(=S)SCCC(=O)C 1458a_200009862762_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B10R0.3 CCNC(=S)SCCC(=O)[13CH3] 1458a_200009862762_200025704644 [0,1,0,0,0,0|3,0,0]=4 612 B10R0.3 CCOC(=O)C=NNC(=O)C 4a_100000189765_100000742314 [0,1,0,0,0,0|3,0,0]=4 613 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,0|2,0,1]=4 614 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,0|2,0,1]=4 615 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,0|2,0,1]=4 616 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,1,0,0,0,0|2,0,1]=4 617 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,0,0,0,0|3,0,0]=4 618 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,0|2,0,1]=4 619 B10R0.3 COCC(=O)CCNC(=O)C 1458a_100000210968_100000189650 [0,1,0,0,0,0|2,0,1]=4 620 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,1,0,0,0,0|1,0,1]=3 621 B10R0.3 COCC(=O)CCOC(=O)N 1458a_100000210968_200011214921 [0,1,0,0,0,0|2,0,1]=4 622 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [0,1,0,0,0,0|2,0,1]=4 623 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [0,1,0,0,0,0|2,0,1]=4 624 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [0,1,0,0,0,0|2,0,1]=4 625 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,0|2,0,1]=4 626 B10R0.3 CSCC(=O)CCNC(=O)C 1458a_100000184570_100000189650 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,1,0,0,0,0|1,0,1]=3 628 B10R0.3 CSCC(=O)CCOC(=O)N 1458a_100000184570_200011214921 [0,1,0,0,0,0|2,0,1]=4 629 B10R0.3 NC(=O)OCCC(=O)CCO 1458a_100011216618_200011214921 [0,1,0,0,0,0|2,0,1]=4 630 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [0,1,0,0,0,0|1,0,2]=4 631 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [0,1,0,0,0,0|1,0,2]=4 632 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [0,1,0,0,0,0|1,0,2]=4 633 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [0,1,0,0,0,0|1,0,2]=4 634 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,1,0,0,0,0|1,0,2]=4 635 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,1,0,0,0,0|1,0,2]=4 636 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,1,0,0,0,0|1,0,2]=4 637 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,1,0,0,0,0|1,0,2]=4 638 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,1,0,0,0,0|1,0,2]=4 639 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,1,0,0,0,0|1,0,2]=4 640 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,1,0,0,0,0|1,0,2]=4 641 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,1,0,0,0,0|1,0,2]=4 642 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,1,0,0,0,0|1,0,2]=4 643 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,1,0,0,0,0|1,0,2]=4 644 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [0,1,0,0,0,0|1,0,2]=4 645 B10R0.4 C=C(C)COC/C=C/CCC 34a_100016278788_100000748629 [0,1,0,0,0,0|1,0,0]=2 646 B10R0.4 C=C(C)COC/C=C/CCC 7a_100016278788_100000748629 [0,1,0,0,0,0|1,0,0]=2 647 B10R0.4 C=C(C)COCC#CCCC 34a_100000034806_100000748629 [0,1,0,0,0,0|1,0,2]=4 648 B10R0.4 C=C(C)COCC#CCCC 7a_100000034806_100000748629 [0,1,0,0,0,0|1,0,2]=4 649 B10R0.4 C=C(C)COCC/C=C\CC 34a_100000210245_100015370543 [0,1,0,0,0,0|1,0,2]=4 650 B10R0.4 C=C(C)COCC/C=C\CC 34a_100016288707_100000748629 [0,1,0,0,0,0|1,0,2]=4 651 B10R0.4 C=C(C)COCC/C=C\CC 7a_100016288707_100000748629 [0,1,0,0,0,0|1,0,2]=4 652 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,1,0,0,0,0|1,0,2]=4 653 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,1,0,0,0,0|1,0,2]=4 654 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,1,0,0,0,0|1,0,2]=4 655 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,1,0,0,0,0|2,0,1]=4 656 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,1,0,0,0,0|2,0,1]=4 657 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,1,0,0,0,0|2,0,1]=4 658 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,1,0,0,0,0|2,0,1]=4 659 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,1,0,0,0,0|2,0,1]=4 660 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,1,0,0,0,0|2,0,1]=4 661 B10R0.4 C=C(F)COC/C=C/CCC 34a_100016278788_100009893438 [0,1,0,0,0,0|1,0,1]=3 662 B10R0.4 C=C(F)COC/C=C/CCC 7a_100016278788_100000042424 [0,1,0,0,0,0|1,0,1]=3 663 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [0,1,0,0,0,0|1,0,2]=4 664 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [0,1,0,0,0,0|1,0,2]=4 665 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [0,1,0,0,0,0|1,0,2]=4 666 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [0,1,0,0,0,0|1,0,2]=4 667 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,1,0,0,0,0|1,0,2]=4 668 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,1,0,0,0,0|1,0,2]=4 669 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,1,0,0,0,0|1,0,2]=4 670 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [0,1,0,0,0,0|1,0,2]=4 671 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [0,1,0,0,0,0|1,0,2]=4 672 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,1,0,0,0,0|1,0,2]=4 673 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [0,1,0,0,0,0|1,0,2]=4 674 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [0,1,0,0,0,0|1,0,2]=4 675 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|1,0,2]=4 676 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|1,0,2]=4 677 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,1,0,0,0,0|2,0,1]=4 678 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,1,0,0,0,0|2,0,1]=4 679 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,1,0,0,0,0|2,0,1]=4 680 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,1,0,0,0,0|2,0,1]=4 682 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,1,0,0,0,0|2,0,1]=4 683 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,1,0,0,0,0|2,0,1]=4 684 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|2,0,1]=4 685 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|2,0,1]=4 686 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,1,0,0,0,0|2,0,1]=4 687 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,1,0,0,0,0|2,0,1]=4 688 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|2,0,1]=4 689 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|2,0,1]=4 690 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,1,0,0,0,0|2,0,1]=4 691 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,1,0,0,0,0|2,0,1]=4 692 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,1,0,0,0,0|2,0,1]=4 693 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,1,0,0,0,0|2,0,1]=4 694 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,1,0,0,0,0|2,0,1]=4 695 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,1,0,0,0,0|2,0,1]=4 696 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,1,0,0,0,0|2,0,1]=4 697 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,1,0,0,0,0|2,0,1]=4 698 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,1,0,0,0,0|2,0,1]=4 699 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,1,0,0,0,0|2,0,1]=4 700 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|1,0,2]=4 701 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|1,0,2]=4 702 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,1,0,0,0,0|2,0,1]=4 703 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,1,0,0,0,0|2,0,1]=4 704 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|1,0,2]=4 705 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|1,0,2]=4 706 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,0,0,0,0|1,0,2]=4 707 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,0,0,0,0|1,0,2]=4 708 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,1,0,0,0,0|2,0,1]=4 709 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,1,0,0,0,0|2,0,1]=4 710 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,1,0,0,0,0|2,0,1]=4 711 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,1,0,0,0,0|2,0,1]=4 712 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,1,0,0,0,0|2,0,1]=4 713 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,1,0,0,0,0|2,0,1]=4 714 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,1,0,0,0,0|2,0,1]=4 715 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,1,0,0,0,0|2,0,1]=4 716 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,1,0,0,0,0|2,0,1]=4 717 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [0,1,0,0,0,0|2,0,1]=4 718 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,0,0,0,0|0,0,2]=3 719 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,0,0,0,0|0,0,2]=3 720 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,1,0,0,0,0|1,0,2]=4 721 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,1,0,0,0,0|1,0,2]=4 722 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,1,0,0,0,0|1,0,2]=4 723 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,1,0,0,0,0|1,0,2]=4 724 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,1,0,0,0,0|1,0,2]=4 725 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,1,0,0,0,0|1,0,2]=4 726 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,1,0,0,0,0|1,0,2]=4 727 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,1,0,0,0,0|1,0,2]=4 728 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,1,0,0,0,0|1,0,2]=4 729 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,1,0,0,0,0|1,0,2]=4 730 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,1,0,0,0,0|1,0,2]=4 731 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,1,0,0,0,0|1,0,2]=4 732 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,1,0,0,0,0|1,0,1]=3 733 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,1,0,0,0,0|1,0,1]=3 734 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,1,0,0,0,0|1,0,1]=3 735 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,1,0,0,0,0|1,0,1]=3 736 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,1,0,0,0,0|1,0,1]=3 737 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,1,0,0,0,0|2,0,1]=4 738 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,1,0,0,0,0|1,0,1]=3 739 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,1,0,0,0,0|1,0,1]=3 740 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [0,1,0,0,0,0|2,0,1]=4 741 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [0,1,0,0,0,0|2,0,1]=4 742 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,1,0,0,0,0|1,0,2]=4 743 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,1,0,0,0,0|1,0,2]=4 744 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,1,0,0,0,0|1,0,1]=3 745 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,1,0,0,0,0|1,0,1]=3 746 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,1,0,0,0,0|1,0,1]=3 747 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,1,0,0,0,0|1,0,1]=3 748 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,1,0,0,0,0|1,0,1]=3 749 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,1,0,0,0,0|1,0,1]=3 750 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,1,0,0,0,0|1,0,1]=3 751 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,1,0,0,0,0|1,0,1]=3 752 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,1,0,0,0,0|1,0,1]=3 753 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,1,0,0,0,0|1,0,1]=3 754 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [0,1,0,0,0,0|1,0,2]=4 755 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [0,1,0,0,0,0|1,0,2]=4 756 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,1,0,0,0,0|1,0,2]=4 757 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,1,0,0,0,0|1,0,2]=4 758 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,1,0,0,0,0|1,0,1]=3 759 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,1,0,0,0,0|1,0,1]=3 760 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,1,0,0,0,0|1,0,1]=3 761 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,1,0,0,0,0|1,0,1]=3 762 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,0,0,0,0|0,0,2]=3 763 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 764 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 765 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,1,0,0,0,0|1,0,2]=4 766 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 767 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 768 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,1,0,0,0,0|0,0,2]=3 769 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,1,0,0,0,0|1,0,2]=4 770 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,1,0,0,0,0|1,0,2]=4 771 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,1,0,0,0,0|0,0,2]=3 772 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,1,0,0,0,0|0,0,2]=3 773 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,1,0,0,0,0|1,0,2]=4 774 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,1,0,0,0,0|1,0,2]=4 775 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [0,1,0,0,0,0|0,0,3]=4 776 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [0,1,0,0,0,0|0,0,3]=4 777 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [0,1,0,0,0,0|0,0,3]=4 778 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,1,0,0,0,0|1,0,0]=2 779 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,1,0,0,0,0|1,0,0]=2 780 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,1,0,0,0,0|1,0,0]=2 781 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [0,1,0,0,0,0|1,0,1]=3 782 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [0,1,0,0,0,0|1,0,1]=3 783 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,1,0,0,0,0|0,0,2]=3 784 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,1,0,0,0,0|0,0,2]=3 785 B10R0.4 CCC/C=C/COCC(F)F 34a_100016278788_100011934356 [0,1,0,0,0,0|2,0,1]=4 786 B10R0.4 CCC/C=C/COCC(F)F 7a_100016278788_100011934356 [0,1,0,0,0,0|2,0,1]=4 787 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,1,0,0,0,0|0,0,2]=3 788 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,1,0,0,0,0|0,0,2]=3 789 B10R0.4 CCC/C=C/COC[N+](=O)[O-] 34a_100016278788_100000761209 [0,1,0,0,0,0|2,0,0]=3 790 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [0,1,0,0,0,0|1,0,2]=4 791 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [0,1,0,0,0,0|1,0,2]=4 792 B10R0.4 CCCC#CCOCC(=O)[O-] 34a_100000034806_100020667443 [0,1,0,0,0,0|1,0,2]=4 793 B10R0.4 CCCC/C=C/COC(C)C 34a_200016272032_100000210206 [0,1,0,0,0,0|1,0,1]=3 794 B10R0.4 CCCC/C=C/COC(C)C 7a_200016272032_100000210206 [0,1,0,0,0,0|1,0,1]=3 795 B10R0.4 CCCC=CC=NNC(=O)C 4a_100000189765_100016266791 [0,1,0,0,0,0|1,0,1]=3 796 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|1,0,2]=4 797 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|1,0,2]=4 798 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,1,0,0,0,0|2,0,1]=4 799 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|1,0,2]=4 800 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|1,0,2]=4 801 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|1,0,2]=4 802 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|1,0,2]=4 803 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|1,0,2]=4 804 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 805 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 806 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 807 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|1,0,2]=4 808 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|0,0,2]=3 809 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 810 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 811 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|1,0,2]=4 812 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|1,0,2]=4 813 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|1,0,2]=4 814 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|1,0,2]=4 815 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|0,0,2]=3 816 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|1,0,2]=4 817 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|1,0,2]=4 818 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|0,0,2]=3 819 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|0,0,2]=3 820 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|1,0,2]=4 821 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|1,0,2]=4 822 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|1,0,2]=4 823 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|1,0,2]=4 824 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|0,0,2]=3 825 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,0,0,0,0|1,0,2]=4 826 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|1,0,2]=4 827 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|1,0,2]=4 828 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|1,0,2]=4 829 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|1,0,2]=4 830 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|1,0,2]=4 831 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|1,0,2]=4 832 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|0,0,2]=3 833 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|0,0,2]=3 834 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,0,0,0,0|1,0,2]=4 835 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,0,0,0,0|1,0,2]=4 836 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,0,0,0,0|1,0,2]=4 837 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|1,0,1]=3 838 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|1,0,2]=4 839 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|1,0,2]=4 840 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 841 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 842 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|1,0,2]=4 843 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|1,0,2]=4 844 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|1,0,2]=4 845 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|1,0,2]=4 846 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|0,0,2]=3 847 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|0,0,2]=3 848 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,0,0,0,0|1,0,2]=4 849 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,0,0,0,0|1,0,2]=4 850 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|1,0,2]=4 851 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|2,0,1]=4 852 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|1,0,2]=4 853 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|1,0,2]=4 854 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|1,0,2]=4 855 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|1,0,2]=4 856 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|1,0,2]=4 857 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|0,0,2]=3 858 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,1,0,0,0,0|0,1,2]=4 859 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|0,1,2]=4 860 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|1,0,1]=3 861 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,0,0,0,0|2,0,1]=4 862 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,0,0,0,0|2,0,1]=4 863 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,0,0,0,0|2,0,1]=4 864 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,0,0,0,0|2,0,1]=4 865 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|1,0,2]=4 866 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|1,0,2]=4 867 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|0,0,2]=3 868 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|0,0,2]=3 869 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,1,0,0,0,0|0,1,2]=4 870 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,1,0,0,0,0|0,1,2]=4 871 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|0,1,2]=4 872 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|0,1,2]=4 873 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,0,0,0,0|2,0,1]=4 874 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,0,0,0,0|2,0,1]=4 875 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,0,0,0,0|2,0,1]=4 876 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,0,0,0,0|2,0,1]=4 877 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,0,0,0,0|2,0,1]=4 878 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|1,0,2]=4 879 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|1,0,2]=4 880 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|0,1,2]=4 881 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|0,0,2]=3 882 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|0,0,2]=3 883 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|0,0,2]=3 884 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|0,1,2]=4 885 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|1,0,2]=4 886 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,1,0,0,0,0|1,0,1]=3 887 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|2,0,1]=4 888 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|2,0,1]=4 889 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|2,0,1]=4 890 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|2,0,1]=4 891 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,1,0,0,0,0|1,0,1]=3 892 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|2,0,1]=4 893 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|2,0,1]=4 894 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,1,0,0,0,0|1,0,1]=3 895 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,1,0,0,0,0|1,0,1]=3 896 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,1,0,0,0,0|1,0,1]=3 897 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|2,0,1]=4 898 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|2,0,1]=4 899 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,1,0,0,0,0|2,0,1]=4 900 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,1,0,0,0,0|2,0,1]=4 901 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,1,0,0,0,0|1,0,1]=3 902 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,1,0,0,0,0|1,0,1]=3 903 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,1,0,0,0,0|2,0,1]=4 904 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,1,0,0,0,0|2,0,1]=4 905 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|0,0,2]=3 906 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|0,0,2]=3 907 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|0,1,2]=4 908 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|0,1,2]=4 909 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|2,0,1]=4 910 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|2,0,1]=4 911 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|2,0,1]=4 912 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,1,0,0,0,0|1,0,1]=3 913 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|2,0,1]=4 914 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|2,0,1]=4 915 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,1,0,0,0,0|1,0,1]=3 916 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,1,0,0,0,0|1,0,1]=3 917 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,1,0,0,0,0|1,0,1]=3 918 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,1,0,0,0,0|1,0,1]=3 919 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,0,0,0,0|1,0,2]=4 920 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,0,0,0,0|1,0,2]=4 921 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,0,0,0,0|0,0,2]=3 922 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,0,0,0,0|0,0,2]=3 923 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,0,0,0,0|0,0,2]=3 924 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,1,0,0,0,0|1,0,1]=3 925 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,1,0,0,0,0|1,0,1]=3 926 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,1,0,0,0,0|1,0,1]=3 927 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,1,0,0,0,0|1,0,1]=3 928 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|1,0,2]=4 929 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 930 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 931 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,0,0,0,0|1,0,2]=4 932 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,0,0,0,0|1,0,2]=4 933 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,0,0,0,0|0,0,2]=3 934 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,0,0,0,0|1,0,2]=4 935 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,1,0,0,0,0|1,0,1]=3 936 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,1,0,0,0,0|2,0,1]=4 937 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,1,0,0,0,0|2,0,1]=4 938 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,1,0,0,0,0|1,0,1]=3 939 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,1,0,0,0,0|2,0,1]=4 940 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,1,0,0,0,0|2,0,1]=4 941 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,1,0,0,0,0|1,0,1]=3 942 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,1,0,0,0,0|1,0,1]=3 943 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,1,0,0,0,0|2,0,1]=4 945 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,1,0,0,0,0|2,0,1]=4 946 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,1,0,0,0,0|2,0,1]=4 947 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,1,0,0,0,0|2,0,1]=4 948 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,1,0,0,0,0|2,0,1]=4 949 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 950 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 951 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,1,0,0,0,0|2,0,1]=4 952 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,1,0,0,0,0|2,0,1]=4 953 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,1,0,0,0,0|2,0,1]=4 954 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,1,0,0,0,0|1,0,1]=3 955 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,1,0,0,0,0|1,0,1]=3 956 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,1,0,0,0,0|2,0,1]=4 957 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,1,0,0,0,0|2,0,1]=4 958 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,1,0,0,0,0|2,0,1]=4 959 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,1,0,0,0,0|2,0,1]=4 960 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,1,0,0,0,0|2,0,1]=4 961 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,1,0,0,0,0|2,0,1]=4 962 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,1,0,0,0,0|1,0,1]=3 963 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,1,0,0,0,0|1,0,1]=3 964 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,1,0,0,0,0|2,0,1]=4 965 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,1,0,0,0,0|2,0,1]=4 966 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,1,0,0,0,0|1,0,2]=4 967 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,1,0,0,0,0|1,0,2]=4 968 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,0,0,0,0|0,0,2]=3 969 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,0,0,0,0|0,0,2]=3 970 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,1,0,0,0,0|2,0,1]=4 971 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,1,0,0,0,0|1,0,1]=3 972 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,1,0,0,0,0|2,0,1]=4 973 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,1,0,0,0,0|2,0,1]=4 974 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,1,0,0,0,0|2,0,1]=4 975 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,1,0,0,0,0|2,0,1]=4 976 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,1,0,0,0,0|2,0,1]=4 977 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,1,0,0,0,0|2,0,1]=4 978 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,1,0,0,0,0|2,0,1]=4 979 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,1,0,0,0,0|2,0,1]=4 980 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,1,0,0,0,0|1,0,1]=3 981 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,1,0,0,0,0|1,0,1]=3 982 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,1,0,0,0,0|1,0,1]=3 983 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,1,0,0,0,0|1,0,1]=3 984 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,1,0,0,0,0|2,0,1]=4 985 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,1,0,0,0,0|2,0,1]=4 986 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,1,0,0,0,0|2,0,1]=4 987 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,1,0,0,0,0|2,0,1]=4 988 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,1,0,0,0,0|2,0,1]=4 989 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,1,0,0,0,0|2,0,1]=4 990 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,1,0,0,0,0|2,0,1]=4 991 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,1,0,0,0,0|1,0,1]=3 992 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,1,0,0,0,0|1,0,1]=3 993 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,1,0,0,0,0|2,0,1]=4 994 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,1,0,0,0,0|2,0,1]=4 995 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,1,0,0,0,0|1,0,2]=4 996 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,1,0,0,0,0|1,0,2]=4 997 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,1,0,0,0,0|2,0,1]=4 998 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,1,0,0,0,0|2,0,1]=4 999 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,1,0,0,0,0|2,0,1]=4 1000 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,1,0,0,0,0|2,0,1]=4 1001 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,1,0,0,0,0|2,0,1]=4 1002 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,1,0,0,0,0|2,0,1]=4 1003 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,1,0,0,0,0|2,0,1]=4 1004 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,1,0,0,0,0|2,0,1]=4 1005 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,1,0,0,0,0|2,0,1]=4 1006 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,1,0,0,0,0|2,0,1]=4 1007 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,1,0,0,0,0|2,0,1]=4 1008 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|1,0,2]=4 1009 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,1,0,0,0,0|2,0,1]=4 1010 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,1,0,0,0,0|2,0,1]=4 1011 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,1,0,0,0,0|2,0,1]=4 1012 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,1,0,0,0,0|2,0,1]=4 1013 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,1,0,0,0,0|2,0,1]=4 1014 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,1,0,0,0,0|2,0,1]=4 1015 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [0,1,0,0,0,0|2,0,1]=4 1016 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [0,1,0,0,0,0|2,0,1]=4 1017 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 1018 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 1019 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,0|1,0,2]=4 1020 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,0|1,0,2]=4 1021 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,1,0,0,0,0|1,0,1]=3 1022 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,1,0,0,0,0|1,0,1]=3 1023 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [0,1,0,0,0,0|2,0,1]=4 1024 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [0,1,0,0,0,0|2,0,1]=4 1025 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [0,1,0,0,0,0|2,0,1]=4 1026 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [0,1,0,0,0,0|2,0,1]=4 1027 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [0,1,0,0,0,0|2,0,1]=4 1028 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [0,1,0,0,0,0|2,0,1]=4 1029 B10R0.22 CCC/C=C/COC(C)(C)C 34a_100016278788_100000210625 [0,1,0,0,0,0|1,0,1]=3 1030 B10R0.22 CCC/C=C/COC(F)(F)F 34a_100016278788_200103152311 [0,1,0,0,0,0|2,0,1]=4 1031 B10R0.22 CCC/C=C/COC(F)(F)F 7a_100016278788_200000243211 [0,1,0,0,0,0|2,0,1]=4 1032 B10R0.22 CCCOCCOS(=O)(=O)C 34a_100000210258_200000036756 [0,1,0,0,0,0|2,0,1]=4 1033 B10R0.22 CCCSCCOS(=O)(=O)C 62a_100000210303_200000036756 [0,1,0,0,0,0|2,0,1]=4 1034 B10R0.22 CCCSCCOS(=O)(=O)C 62a_200000036756_100000210303 [0,1,0,0,0,0|2,0,1]=4 1035 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,1,0,0,0,0|2,0,1]=4 1036 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,1,0,0,0,0|2,0,1]=4 1037 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,1,0,0,0,0|2,0,1]=4 1038 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,1,0,0,0,0|2,0,1]=4 1039 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,1,0,0,0,0|2,0,1]=4 1040 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,1,0,0,0,0|2,0,1]=4 1041 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,1,0,0,0,0|2,0,1]=4 1042 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [0,1,0,0,0,0|2,0,1]=4 1043 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,1,0,0,0,0|2,0,1]=4 1044 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [0,1,0,0,0,0|2,0,1]=4 1045 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [0,1,0,0,0,0|2,0,1]=4 1046 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,1,0,0,0,0|2,0,1]=4 1047 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,1,0,0,0,0|2,0,1]=4 1048 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,1,0,0,0,0|2,0,1]=4 1049 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,1,0,0,0,0|2,0,1]=4 1050 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [0,1,0,0,0,0|2,0,1]=4 1051 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [0,1,0,0,0,0|2,0,1]=4 1052 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,1,0,0,0,0|2,0,1]=4 1053 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,1,0,0,0,0|2,0,1]=4 1054 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,1,0,0,0,0|0,0,3]=4 1055 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,1,0,0,0,0|1,0,2]=4 1056 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,1,0,0,0,0|1,0,2]=4 1057 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,1,0,0,0,0|1,0,2]=4 1058 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,1,0,0,0,0|1,0,2]=4 1059 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,1,0,0,0,0|1,0,2]=4 1060 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,1,0,0,0,0|1,0,2]=4 1061 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,1,0,0,0,0|2,0,1]=4 1062 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,1,0,0,0,0|2,0,1]=4 1063 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,1,0,0,0,0|2,0,1]=4 1064 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,1,0,0,0,0|2,0,1]=4 1065 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,1,0,0,0,0|1,0,1]=3 1066 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,1,0,0,0,0|1,0,1]=3 1067 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,1,0,0,0,0|2,0,1]=4 1068 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,1,0,0,0,0|2,0,1]=4 1069 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,0,0,0,0|2,0,1]=4 1070 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,0,0,0,0|2,0,1]=4 1071 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,0,0,0,0|2,0,1]=4 1072 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,1,0,0,0,0|2,0,1]=4 1073 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,1,0,0,0,0|2,0,1]=4 1074 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,1,0,0,0,0|1,0,1]=3 1075 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,1,0,0,0,0|2,0,1]=4 1076 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,1,0,0,0,0|2,0,1]=4 1077 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,0,0,0,0|2,0,1]=4 1078 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,0,0,0,0|2,0,1]=4 1079 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,1,0,0,0,0|2,0,1]=4 1080 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,1,0,0,0,0|2,0,1]=4 1081 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,1,0,0,0,0|1,0,1]=3 1082 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,1,0,0,0,0|1,0,1]=3 1083 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,1,0,0,0,0|2,0,1]=4 1084 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,1,0,0,0,0|2,0,1]=4 1085 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,0,0,0,0|2,0,1]=4 1086 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,0,0,0,0|2,0,1]=4 1087 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,0,0,0,0|2,0,1]=4 1088 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,0,0,0,0|2,0,1]=4 1089 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,1,0,0,0,0|1,0,1]=3 1090 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,1,0,0,0,0|1,0,1]=3 1091 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,1,0,0,0,0|1,0,2]=4 1092 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,1,0,0,0,0|2,0,1]=4 1093 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,1,0,0,0,0|2,0,1]=4 1094 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,1,0,0,0,0|2,0,1]=4 1095 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,1,0,0,0,0|2,0,1]=4 1096 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,1,0,0,0,0|2,0,1]=4 1097 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,1,0,0,0,0|1,0,1]=3 1098 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,1,0,0,0,0|1,0,1]=3 1099 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,1,0,0,0,0|2,0,1]=4 1100 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,1,0,0,0,0|2,0,1]=4 1101 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,1,0,0,0,0|2,0,1]=4 1102 B10R0.74 C#CC(C)OC/C=C/CCC 34a_100016278788_200000035995 [0,1,0,0,0,0|1,0,1]=3 1103 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,1,0,0,0,0|1,0,2]=4 1104 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,1,0,0,0,0|1,0,2]=4 1105 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,1,0,0,0,0|1,0,2]=4 1106 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,1,0,0,0,0|2,0,1]=4 1107 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,1,0,0,0,0|2,0,1]=4 1108 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,1,0,0,0,0|1,0,1]=3 1109 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [0,1,0,0,0,0|1,0,1]=3 1110 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [0,1,0,0,0,0|1,0,1]=3 1111 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [0,1,0,0,0,0|1,0,1]=3 1112 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [0,1,0,0,0,0|1,0,1]=3 1113 B10R0.74 CCC/C=C/COC(C)C#N 7a_100016278788_100000703298 [0,1,0,0,0,0|1,0,1]=3 1114 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [0,1,0,0,0,0|1,0,1]=3 1115 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [0,1,0,0,0,0|1,0,1]=3 1116 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,1,0,0,0,0|0,0,2]=3 1117 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,1,0,0,0,0|0,0,2]=3 1118 B10R0.74 CCC=CC=NNC(=O)CC 4a_100000183195_100011216943 [0,1,0,0,0,0|2,0,1]=4 1119 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,1,0,0,0,0|1,0,2]=4 1120 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,1,0,0,0,0|1,0,2]=4 1121 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,1,0,0,0,0|1,0,2]=4 1122 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 1123 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 1124 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 1125 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,1,0,0,0,0|2,0,1]=4 1126 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,2]=4 1127 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,2]=4 1128 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|1,0,2]=4 1129 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|1,0,2]=4 1130 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|1,0,2]=4 1131 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 1132 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 1133 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 1134 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 1135 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 1136 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 1137 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|1,0,2]=4 1138 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 1139 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 1140 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,0,0,0,0|1,0,2]=4 1141 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,0,0,0,0|1,0,2]=4 1142 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,0,0,0,0|1,0,2]=4 1143 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,0,0,0,0|1,0,2]=4 1144 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,0,0,0,0|1,0,2]=4 1145 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,0,0,0,0|1,0,2]=4 1146 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,1,0,0,0,0|2,0,1]=4 1147 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,1,0,0,0,0|2,0,1]=4 1149 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,1,0,0,0,0|2,0,1]=4 1150 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,0,0,0,0|2,0,1]=4 1151 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,0,0,0,0|2,0,1]=4 1152 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|2,0,1]=4 1153 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,1,0,0,0,0|2,0,1]=4 1155 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,1,0,0,0,0|2,0,1]=4 1156 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,1,0,0,0,0|2,0,1]=4 1157 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,0,0,0,0|2,0,1]=4 1158 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,0,0,0,0|2,0,1]=4 1159 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,1,0,0,0,0|2,0,1]=4 1160 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,1,0,0,0,0|2,0,1]=4 1161 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,0,0,0,0|2,0,1]=4 1162 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,0,0,0,0|2,0,1]=4 1163 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,1,0,0,0,0|1,0,1]=3 1164 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,0,0,0,0|2,0,1]=4 1165 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,0,0,0,0|2,0,1]=4 1166 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,1,0,0,0,0|2,0,1]=4 1167 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,1,0,0,0,0|2,0,1]=4 1168 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,0,0,0,0|2,0,1]=4 1169 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,0,0,0,0|2,0,1]=4 1170 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,1,0,0,0,0|2,0,1]=4 1171 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,1,0,0,0,0|2,0,1]=4 1172 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,1,0,0,0,0|2,0,1]=4 1173 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,1,0,0,0,0|2,0,1]=4 1174 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,1,0,0,0,0|2,0,1]=4 1175 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 1176 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 1177 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,1,0,0,0,0|2,0,1]=4 1178 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,1,0,0,0,0|2,0,1]=4 1179 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,1,0,0,0,0|2,0,1]=4 1180 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,1,0,0,0,0|2,0,1]=4 1181 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,1,0,0,0,0|2,0,1]=4 1182 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,1,0,0,0,0|2,0,1]=4 1183 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,1,0,0,0,0|2,0,1]=4 1184 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,1,0,0,0,0|1,0,1]=3 1185 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,1,0,0,0,0|1,0,1]=3 1186 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,1,0,0,0,0|1,0,1]=3 1187 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,0,0,0,0|2,0,1]=4 1188 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,0,0,0,0|2,0,1]=4 1189 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,0,0,0,0|2,0,1]=4 1190 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,0,0,0,0|2,0,1]=4 1191 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,1,0,0,0,0|2,0,1]=4 1192 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,1,0,0,0,0|2,0,1]=4 1193 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,1,0,0,0,0|2,0,1]=4 1194 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,0,0,0,0|2,0,1]=4 1195 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,0,0,0,0|2,0,1]=4 1196 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,1,0,0,0,0|2,0,1]=4 1197 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,1,0,0,0,0|2,0,1]=4 1198 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,1,0,0,0,0|2,0,1]=4 1199 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,1,0,0,0,0|2,0,1]=4 1200 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,1,0,0,0,0|2,0,1]=4 1201 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,1,0,0,0,0|2,0,1]=4 1202 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,1,0,0,0,0|1,0,1]=3 1203 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,1,0,0,0,0|1,0,1]=3 1204 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,1,0,0,0,0|3,0,0]=4 1205 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,1,0,0,0,0|2,0,1]=4 1206 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,1,0,0,0,0|2,0,1]=4 1208 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,1,0,0,0,0|2,0,1]=4 1209 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,1,0,0,0,0|2,0,1]=4 1210 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,1,0,0,0,0|2,0,1]=4 1211 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,1,0,0,0,0|2,0,1]=4 1212 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,1,0,0,0,0|2,0,1]=4 1213 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,1,0,0,0,0|2,0,1]=4 1214 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,1,0,0,0,0|2,0,1]=4 1216 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,1,0,0,0,0|2,0,1]=4 1217 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,1,0,0,0,0|2,0,1]=4 1218 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,1,0,0,0,0|2,0,1]=4 1219 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,1,0,0,0,0|2,0,1]=4 1220 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,1,0,0,0,0|2,0,1]=4 1221 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,1,0,0,0,0|2,0,1]=4 1222 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,1,0,0,0,0|2,0,1]=4 1223 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,1,0,0,0,0|2,0,1]=4 1224 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,1,0,0,0,0|2,0,1]=4 1225 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,1,0,0,0,0|3,0,0]=4 1227 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,1,0,0,0,0|3,0,0]=4 1228 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,1,0,0,0,0|3,0,0]=4 1229 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,1,0,0,0,0|3,0,0]=4 1230 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|1,0,2]=4 1231 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|1,0,2]=4 1232 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|1,0,2]=4 1233 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 1234 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 1235 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,0,0,0,0|1,0,2]=4 1236 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,0,0,0,0|1,0,2]=4 1237 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,1,0,0,0,0|2,0,1]=4 1238 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,1,0,0,0,0|2,0,1]=4 1239 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,1,0,0,0,0|2,0,1]=4 1240 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,1,0,0,0,0|2,0,1]=4 1241 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,1,0,0,0,0|2,0,1]=4 1242 B10R0.78 C#CCCC(=O)COC(=O)C 1458a_100000183556_100000753159 [0,1,0,0,0,0|0,0,3]=4 1243 B10R0.78 C#CCNC(=O)COC(=O)C 1626a_100000212058_100000183556 [0,1,0,0,0,0|1,0,2]=4 1244 B10R0.78 C#CCNC(=O)COC(=O)C 240690a_100000212058_100000183556 [0,1,0,0,0,0|1,0,2]=4 1245 B10R0.78 C#CCNC(=O)COC(=O)C 527a_100000212058_100000183556 [0,1,0,0,0,0|1,0,2]=4 1246 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,1,0,0,0,0|0,0,3]=4 1247 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,1,0,0,0,0|2,0,1]=4 1248 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,1,0,0,0,0|2,0,1]=4 1249 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,1,0,0,0,0|2,0,1]=4 1250 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,1,0,0,0,0|3,0,0]=4 1251 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,1,0,0,0,0|3,0,0]=4 1252 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,1,0,0,0,0|3,0,0]=4 1253 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,1,0,0,0,0|3,0,0]=4 1254 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,1,0,0,0,0|0,0,3]=4 1255 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,1,0,0,0,0|1,0,2]=4 1256 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,1,0,0,0,0|1,0,2]=4 1257 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,1,0,0,0,0|1,0,2]=4 1258 B10R0.78 CC#CCC(=O)COC(=O)C 1458a_100000183556_100000748600 [0,1,0,0,0,0|0,0,3]=4 1259 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,1,0,0,0,0|2,0,1]=4 1260 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,1,0,0,0,0|2,0,1]=4 1261 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000724931_100000194580 [0,1,0,0,0,0|3,0,0]=4 1262 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000725713_100015343762 [0,1,0,0,0,0|3,0,0]=4 1263 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000724931_100000194580 [0,1,0,0,0,0|3,0,0]=4 1264 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000725713_100015343762 [0,1,0,0,0,0|3,0,0]=4 1265 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000724931_100000194580 [0,1,0,0,0,0|3,0,0]=4 1266 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000725713_100015343762 [0,1,0,0,0,0|3,0,0]=4 1267 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000724931_100000194580 [0,1,0,0,0,0|3,0,0]=4 1268 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000725713_100103153847 [0,1,0,0,0,0|3,0,0]=4 1269 B10R0.78 CC(=O)NCC(=O)NCCO 240690a_100000210304_100000194580 [0,1,0,0,0,0|3,0,0]=4 1270 B10R0.78 CC(=O)NCC(=O)NCCO 527a_100000210304_100000194580 [0,1,0,0,0,0|3,0,0]=4 1271 B10R0.78 CC(=O)OCC(=O)CCC#N 1458a_100000183556_100011215226 [0,1,0,0,0,0|1,0,2]=4 1272 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,1,0,0,0,0|1,0,1]=3 1273 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,1,0,0,0,0|1,0,1]=3 1274 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100000036994_100015361967 [0,1,0,0,0,0|2,0,1]=4 1275 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100015361967_100000036994 [0,1,0,0,0,0|2,0,1]=4 1276 B10R0.78 CC(=O)OCC(=O)NCC#N 1626a_100000734998_100000183556 [0,1,0,0,0,0|2,0,1]=4 1277 B10R0.78 CC(=O)OCC(=O)NCC#N 527a_100000734998_100000183556 [0,1,0,0,0,0|2,0,1]=4 1278 B10R0.78 CC(=O)OCC(=O)NCCF 1626a_100000724931_100000183556 [0,1,0,0,0,0|2,0,0]=3 1279 B10R0.78 CC(=O)OCC(=O)NCCF 240690a_100000724931_100000183556 [0,1,0,0,0,0|2,0,0]=3 1280 B10R0.78 CC(=O)OCC(=O)NCCF 527a_100000724931_100000183556 [0,1,0,0,0,0|2,0,0]=3 1281 B10R0.78 CC(=O)OCC(=O)NCCO 240690a_100000210304_100000183556 [0,1,0,0,0,0|2,0,0]=3 1282 B10R0.78 CC(=O)OCC(=O)NCCO 527a_100000210304_100000183556 [0,1,0,0,0,0|2,0,0]=3 1283 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [0,1,0,0,0,0|2,0,1]=4 1284 B10R0.78 CC(=O)OCN(C)CCCO 269982a_100000213112_100000076356 [0,1,0,0,0,0|2,0,1]=4 1285 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,1,0,0,0,0|1,1,1]=4 1286 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,1,0,0,0,0|1,1,1]=4 1287 B10R0.78 CC(=O)SCC(=O)NCCF 11a_100000724931_100000049016 [0,1,0,0,0,0|2,1,0]=4 1288 B10R0.78 CC(=O)SCC(=O)NCCF 1626a_100000724931_100000049016 [0,1,0,0,0,0|2,1,0]=4 1289 B10R0.78 CC(=O)SCC(=O)NCCF 240690a_100000724931_100000049016 [0,1,0,0,0,0|2,1,0]=4 1290 B10R0.78 CC(=O)SCC(=O)NCCO 240690a_100000210304_100000049016 [0,1,0,0,0,0|2,1,0]=4 1291 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,1,0,0,0,0|0,0,3]=4 1292 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [0,1,0,0,0,0|2,0,1]=4 1293 B10R0.78 CCC=CC(=O)NNC(=O)C 22a_100000189765_100000212282 [0,1,0,0,0,0|2,0,1]=4 1294 B10R0.78 CCCCC(=NNC(=O)C)C 4a_100000189765_100000210087 [0,1,0,0,0,0|2,0,1]=4 1295 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,1,0,0,0,0|2,0,1]=4 1296 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,1,0,0,0,0|2,0,1]=4 1297 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,1,0,0,0,0|2,0,1]=4 1298 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,1,0,0,0,0|1,0,1]=3 1299 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,1,0,0,0,0|2,0,1]=4 1300 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,1,0,0,0,0|0,0,1]=2 1301 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,1,0,0,0,0|1,0,2]=4 1302 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,1,0,0,0,0|0,1,1]=3 1303 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,1,0,0,0,0|2,0,1]=4 1304 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,1,0,0,0,0|2,0,1]=4 1305 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,0,0,0,0|1,0,2]=4 1306 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,0,0,0,0|1,0,2]=4 1307 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,1,0,0,0,0|2,0,1]=4 1308 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,1,0,0,0,0|1,0,1]=3 1309 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,1,0,0,0,0|3,0,0]=4 1310 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,1,0,0,0,0|3,0,0]=4 1311 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,1,0,0,0,0|3,0,0]=4 1312 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,1,0,0,0,0|3,0,0]=4 1313 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,1,0,0,0,0|2,0,0]=3 1314 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,1,0,0,0,0|3,0,0]=4 1315 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,1,0,0,0,0|3,0,0]=4 1316 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,1,0,0,0,0|2,0,0]=3 1317 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,1,0,0,0,0|2,0,0]=3 1318 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,1,0,0,0,0|2,0,0]=3 1319 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,1,0,0,0,0|2,0,0]=3 1320 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,1,0,0,0,0|2,0,0]=3 1321 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,1,0,0,0,0|2,0,0]=3 1322 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,1,0,0,0,0|2,0,0]=3 1323 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,1,0,0,0,0|2,0,0]=3 1324 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,1,0,0,0,0|2,0,0]=3 1325 B10R0.78 CCCNC(=O)CNC(=O)N 240690a_100020643023_100000184981 [0,1,0,0,0,0|3,0,0]=4 1326 B10R0.78 CCCNC(=O)CNC(=O)N 527a_100020643023_100000184981 [0,1,0,0,0,0|3,0,0]=4 1327 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,1,0,0,0,0|1,0,0]=2 1328 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,1,0,0,0,0|1,0,0]=2 1329 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,1,0,0,0,0|1,0,0]=2 1330 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [0,1,0,0,0,0|2,0,1]=4 1331 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [0,1,0,0,0,0|2,0,1]=4 1332 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [0,1,0,0,0,0|2,0,1]=4 1333 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [0,1,0,0,0,0|2,0,1]=4 1334 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [0,1,0,0,0,0|2,0,1]=4 1335 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,1,0,0,0,0|1,1,0]=3 1336 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,1,0,0,0,0|1,1,0]=3 1337 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,1,0,0,0,0|1,1,0]=3 1338 B10R0.78 CCCNC(=O)CSC(=O)N 240690a_100020643023_200015941356 [0,1,0,0,0,0|2,1,0]=4 1339 B10R0.78 CCCNC(=O)NNC(=O)C 273464a_100020643023_100000189765 [0,1,0,0,0,0|3,0,0]=4 1340 B10R0.78 CCCNC(=O)NNC(=O)C 512a_100000189765_100020643023 [0,1,0,0,0,0|3,0,0]=4 1341 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,1,0,0,0,0|1,0,1]=3 1342 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [0,1,0,0,0,0|2,0,1]=4 1343 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,1,0,0,0,0|3,0,0]=4 1344 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1345 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1346 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,1,0,0,0,0|2,0,1]=4 1347 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,1,0,0,0,0|2,0,1]=4 1348 B10R0.78 CCNN=C(C)COC(=O)C 4a_100000756455_100000000629 [0,1,0,0,0,0|2,0,0]=3 1349 B10R0.78 CCNNC(=O)CNC(=O)C 22a_100000756455_100000194580 [0,1,0,0,0,0|3,0,0]=4 1350 B10R0.78 CCNNC(=O)COC(=O)C 22a_100000756455_100000183556 [0,1,0,0,0,0|2,0,0]=3 1351 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,0|1,0,1]=3 1352 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,1,0,0,0,0|1,0,2]=4 1353 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,1,0,0,0,0|1,0,1]=3 1354 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,1,0,0,0,0|1,0,1]=3 1355 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,1,0,0,0,0|1,0,2]=4 1356 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,1,0,0,0,0|1,0,2]=4 1357 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,1,0,0,0,0|2,0,1]=4 1358 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,1,0,0,0,0|1,0,1]=3 1359 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,1,0,0,0,0|1,1,1]=4 1360 B10R0.78 COCCN(C)COC(=O)C 269982a_100000743101_100000076356 [0,1,0,0,0,0|2,0,1]=4 1361 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,1,0,0,0,0|2,0,1]=4 1362 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,1,0,0,0,0|1,0,1]=3 1363 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,1,0,0,0,0|1,1,1]=4 1364 B10R0.78 CSCCN(C)COC(=O)C 269982a_100000686725_100000076356 [0,1,0,0,0,0|2,0,1]=4 1365 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [0,1,0,0,0,0|1,0,2]=4 1366 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,1,0,0,0,0|1,0,2]=4 1367 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,1,0,0,0,0|1,0,2]=4 1368 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,1,0,0,0,0|1,0,2]=4 1369 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,1,0,0,0,0|1,0,2]=4 1370 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,1,0,0,0,0|1,0,2]=4 1371 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,0,0,0,0|1,0,2]=4 1372 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,0,0,0,0|1,0,2]=4 1373 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,1,0,0,0,0|0,0,3]=4 1374 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,1,0,0,0,0|2,0,1]=4 1375 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,1,0,0,0,0|2,0,1]=4 1376 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,1,0,0,0,0|2,0,1]=4 1377 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,1,0,0,0,0|2,0,1]=4 1378 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,1,0,0,0,0|2,0,1]=4 1379 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,1,0,0,0,0|2,0,1]=4 1380 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,1,0,0,0,0|2,0,1]=4 1381 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,1,0,0,0,0|2,0,1]=4 1382 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,1,0,0,0,0|2,0,1]=4 1383 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,1,0,0,0,0|2,0,1]=4 1384 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,1,0,0,0,0|2,0,1]=4 1385 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,1,0,0,0,0|2,0,1]=4 1386 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,1,0,0,0,0|2,0,1]=4 1387 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,1,0,0,0,0|2,0,1]=4 1388 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,1,0,0,0,0|2,0,1]=4 1389 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,1,0,0,0,0|2,0,1]=4 1390 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,1,0,0,0,0|2,0,1]=4 1391 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,1,0,0,0,0|2,0,1]=4 1392 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,1,0,0,0,0|2,0,1]=4 1393 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,1,0,0,0,0|2,0,1]=4 1394 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,1,0,0,0,0|2,0,1]=4 1395 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,1,0,0,0,0|2,0,1]=4 1396 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,1,0,0,0,0|2,0,1]=4 1397 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,1,0,0,0,0|2,0,1]=4 1398 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,1,0,0,0,0|1,0,2]=4 1399 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,1,0,0,0,0|2,0,1]=4 1400 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,1,0,0,0,0|2,0,1]=4 1401 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,1,0,0,0,0|2,0,1]=4 1402 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,1,0,0,0,0|2,0,1]=4 1403 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,1,0,0,0,0|1,0,2]=4 1404 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,1,0,0,0,0|1,0,2]=4 1405 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,1,0,0,0,0|1,0,2]=4 1406 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,1,0,0,0,0|2,0,1]=4 1407 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,1,0,0,0,0|2,0,1]=4 1408 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,1,0,0,0,0|2,0,1]=4 1409 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,1,0,0,0,0|2,0,1]=4 1410 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,1,0,0,0,0|2,0,1]=4 1411 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,1,0,0,0,0|2,0,1]=4 1412 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,1,0,0,0,0|2,0,1]=4 1413 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,1,0,0,0,0|2,0,1]=4 1414 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,1,0,0,0,0|2,0,1]=4 1415 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,1,0,0,0,0|2,0,1]=4 1416 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,1,0,0,0,0|2,0,1]=4 1417 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,1,0,0,0,0|2,0,1]=4 1418 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,1,0,0,0,0|2,0,1]=4 1419 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,1,0,0,0,0|2,0,1]=4 1420 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,1,0,0,0,0|1,0,2]=4 1421 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,1,0,0,0,0|1,0,2]=4 1422 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,1,0,0,0,0|1,0,2]=4 1423 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,1,0,0,0,0|1,0,2]=4 1424 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,1,0,0,0,0|1,0,2]=4 1425 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,1,0,0,0,0|1,0,1]=3 1426 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,1,0,0,0,0|1,0,1]=3 1427 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [0,1,0,0,0,0|2,0,1]=4 1428 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,1,0,0,0,0|1,0,1]=3 1429 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,1,0,0,0,0|1,0,1]=3 1430 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,1,0,0,0,0|1,0,1]=3 1431 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [0,1,0,0,0,0|2,0,1]=4 1432 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,1,0,0,0,0|2,0,1]=4 1433 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,1,0,0,0,0|1,0,1]=3 1434 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,1,0,0,0,0|1,0,1]=3 1435 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,1,0,0,0,0|1,0,1]=3 1436 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,1,0,0,0,0|1,0,1]=3 1437 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,1,0,0,0,0|1,0,1]=3 1438 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,1,0,0,0,0|1,0,1]=3 1439 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [0,1,0,0,0,0|2,0,1]=4 1440 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [0,1,0,0,0,0|2,0,1]=4 1441 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,1,0,0,0,0|1,0,1]=3 1442 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,1,0,0,0,0|1,0,1]=3 1443 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,1,0,0,0,0|1,0,1]=3 1444 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,1,0,0,0,0|1,0,1]=3 1445 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [0,1,0,0,0,0|2,0,1]=4 1446 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,1,0,0,0,0|1,0,1]=3 1447 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,1,0,0,0,0|1,0,1]=3 1448 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,1,0,0,0,0|1,0,1]=3 1449 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,1,0,0,0,0|1,0,1]=3 1450 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,1,0,0,0,0|1,0,1]=3 1451 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,1,0,0,0,0|2,0,1]=4 1452 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [0,1,0,0,0,0|2,0,1]=4 1453 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [0,1,0,0,0,0|2,0,1]=4 1454 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,1,0,0,0,0|2,0,1]=4 1455 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,0,0,0,0|1,0,2]=4 1456 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,1,0,0,0,0|2,0,1]=4 1457 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,1,0,0,0,0|2,0,1]=4 1458 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,1,0,0,0,0|2,0,1]=4 1459 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,1,0,0,0,0|2,0,1]=4 1460 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,1,0,0,0,0|2,0,1]=4 1461 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,1,0,0,0,0|2,0,1]=4 1462 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,1,0,0,0,0|2,0,1]=4 1463 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,1,0,0,0,0|2,0,1]=4 1464 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,1,0,0,0,0|2,0,1]=4 1465 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,1,0,0,0,0|2,0,1]=4 1466 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,1,0,0,0,0|2,0,1]=4 1467 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,1,0,0,0,0|2,0,1]=4 1468 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,1,0,0,0,0|2,0,1]=4 1469 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,1,0,0,0,0|2,0,1]=4 1470 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,1,0,0,0,0|2,0,1]=4 1471 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,0,0,1,0,0|2,0,1]=4 1472 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,0,1,0,0|1,0,1]=3 1473 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,0,0,1,0,0|2,0,1]=4 1474 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,0,0,1,0,0|2,0,1]=4 1475 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,0,0,1,0,0|2,0,1]=4 1476 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,0,0,1,0,0|2,0,1]=4 1477 B10R1.16 CCC=Cc1noc(n1)C 270196a_100016260345_100000070787 [0,0,0,1,0,0|2,0,1]=4 1478 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,0,0,1,0,0|2,0,1]=4 1479 B10R1.16 CCCCc1noc(n1)C 270196a_100011193411_100000070787 [0,0,0,1,0,0|2,0,1]=4 1480 B10R1.16 CCCCc1noc(n1)C 271570a_100020621405_100012003639 [0,0,0,1,0,0|2,0,1]=4 1481 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,0,0,1,0,0|2,0,1]=4 1482 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,0,0,1,0,0|2,0,1]=4 1483 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,0,0,1,0,0|2,0,1]=4 1484 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,0,0,1,0,0|2,0,1]=4 1485 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,0,0,1,0,0|2,0,1]=4 1486 B10R1.16 CCCSc1cc(on1)C 62a_100000210303_100000716708 [0,0,0,1,0,0|3,0,0]=4 1487 B10R1.16 CCCSc1cc(on1)C 62a_100000716708_100000210303 [0,0,0,1,0,0|3,0,0]=4 1488 B10R1.16 CCCSc1noc(n1)C 62a_100000210303_100012003639 [0,0,0,1,0,0|3,0,0]=4 1489 B10R1.16 CCCSc1noc(n1)C 62a_100012003639_100000210303 [0,0,0,1,0,0|3,0,0]=4 1490 B10R1.16 CCNN=C1C=C(OC1)C 4a_100000756455_200009860027 [0,0,0,1,0,0|3,0,0]=4 1491 B10R1.16 CCNN=C1COC(=O)C1 4a_100000756455_100000211896 [0,0,0,1,0,0|2,0,0]=3 1492 B10R1.16 CCOCC1=CC(=O)OC1 34a_100121572206_100000716558 [0,0,0,1,0,0|1,0,2]=4 1493 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000210202_100000716558 [0,0,0,1,0,0|1,0,2]=4 1494 B10R1.16 CCSCC1=CC(=O)OC1 62a_100000716558_100000210202 [0,0,0,1,0,0|1,0,2]=4 1495 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,1,0,0|1,0,2]=4 1496 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,0|1,0,2]=4 1497 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,0|1,0,2]=4 1498 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,1,0,0|2,0,1]=4 1499 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,1,0,0|2,0,1]=4 1500 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,1,0,0|2,0,1]=4 1501 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,1,0,0|2,0,1]=4 1502 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 1503 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 1504 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,0|1,0,2]=4 1505 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,0|1,0,2]=4 1506 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 1507 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 1508 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,1,0,0|2,0,1]=4 1509 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,1,0,0|2,0,1]=4 1510 B10R1.18 CC(C)NC1C=CCCC1 2230a_100138425928_100000751183 [0,0,0,1,0,0|2,0,1]=4 1511 B10R1.18 CC(C)OC1C=CCCC1 34a_100011215024_100000210206 [0,0,0,1,0,0|1,0,1]=3 1512 B10R1.18 CC(C)SC1C=CCCC1 62a_100000210206_100000751183 [0,0,0,1,0,0|1,1,1]=4 1513 B10R1.18 CC(C)SC1C=CCCC1 62a_100000751183_100000210206 [0,0,0,1,0,0|1,1,1]=4 1514 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,1,0,0|1,0,2]=4 1515 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,0|1,0,2]=4 1516 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,1,0,0|2,0,1]=4 1517 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,1,0,0|2,0,1]=4 1518 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,0,0,1,0,0|2,0,1]=4 1519 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,0,0,1,0,0|2,0,1]=4 1520 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,0,0,1,0,0|2,0,1]=4 1521 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,0,0,1,0,0|2,0,1]=4 1522 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,0,0,1,0,0|1,0,0]=2 1523 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,0,0,1,0,0|1,0,0]=2 1524 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,0,0,1,0,0|1,0,0]=2 1525 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,0,0,1,0,0|1,0,0]=2 1526 B10R1.39 CCC1C=CCN1C(C)C 2230a_100000730860_100000210206 [0,0,0,1,0,0|2,0,1]=4 1527 B10R1.39 CCC1C=CCN1C(C)C 269982a_100000730860_100000210206 [0,0,0,1,0,0|2,0,1]=4 1528 B10R1.39 CCC1C=CCN1C(C)C 34a_100000730860_100000210206 [0,0,0,1,0,0|2,0,1]=4 1529 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 1530 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 1531 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,0,1,0,0|1,0,2]=4 1532 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,0,1,0,0|1,0,2]=4 1533 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,0|1,0,2]=4 1534 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 1535 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 1536 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,0|1,0,2]=4 1537 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,0|1,0,2]=4 1538 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,0,0,1,0,0|2,0,1]=4 1539 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,0,0,1,0,0|2,0,1]=4 1540 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,0,0,1,0,0|2,0,1]=4 1541 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,0|1,0,2]=4 1542 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,0,1,0,0|1,0,1]=3 1543 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,1,0,0|1,0,2]=4 1544 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,1,0,0|1,0,2]=4 1545 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,0,0,1,0,0|2,0,1]=4 1546 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,0,0,1,0,0|2,0,1]=4 1547 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,0,0,1,0,0|2,0,1]=4 1548 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,0,0,1,0,0|2,0,1]=4 1549 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,0,0,1,0,0|3,0,0]=4 1550 B10R1.66 CC(=O)CNC1=NCCC1 1458a_100000118783_200000210301 [0,0,0,1,0,0|3,0,0]=4 1551 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 1552 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 1553 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,1,0,0|1,0,2]=4 1554 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,1,0,0|1,0,2]=4 1555 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1556 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1557 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,0,0,1,0,0|2,0,1]=4 1558 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,0,0,1,0,0|2,0,1]=4 1559 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,1,0,0|2,0,1]=4 1560 B10R1.66 CC(=O)NN=C1CCCC1 4a_100000189765_100000210133 [0,0,0,1,0,0|2,0,1]=4 1561 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,0,0,1,0,0|1,0,1]=3 1562 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [0,0,0,1,0,0|2,0,1]=4 1563 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,0,1,0,0|1,0,1]=3 1564 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,1,0,0|1,0,2]=4 1565 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,0,0,1,0,0|2,0,1]=4 1566 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,0,0,1,0,0|2,0,1]=4 1567 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,0,0,1,0,0|3,0,0]=4 1568 B10R1.66 [13CH3]C(=O)CNC1=NCCC1 1458a_100000118783_200025704644 [0,0,0,1,0,0|3,0,0]=4 1569 B10R1.73 CC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100009813279 [0,0,0,1,0,0|2,0,1]=4 1570 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,0,0,1,0,0|2,0,1]=4 1571 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,0,0,1,0,0|1,0,1]=3 1572 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,0,0,1,0,0|1,0,1]=3 1573 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,0,1,0,0|2,0,1]=4 1574 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,0,1,0,0|2,0,1]=4 1575 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,0,1,0,0|2,0,1]=4 1576 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,0,0,1,0,0|2,0,1]=4 1577 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,0,0,1,0,0|2,0,1]=4 1578 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,0,0,1,0,0|2,0,1]=4 1579 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,0,0,1,0,0|2,0,1]=4 1580 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,0,0,1,0,0|2,0,1]=4 1581 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,0,0,1,0,0|2,0,1]=4 1582 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,0,0,1,0,0|1,0,1]=3 1583 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,0,0,1,0,0|1,0,1]=3 1584 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,0,0,1,0,0|1,0,1]=3 1585 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,0,0,1,0,0|1,0,1]=3 1586 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,0,0,1,0,0|2,0,1]=4 1587 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,0,0,1,0,0|1,0,1]=3 1588 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,0,0,1,0,0|1,0,1]=3 1589 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [0,0,0,1,0,0|2,0,1]=4 1590 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [0,0,0,1,0,0|2,0,1]=4 1591 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [0,0,0,1,0,0|2,0,1]=4 1592 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [0,0,0,1,0,0|2,0,1]=4 1593 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [0,0,0,1,0,0|2,0,1]=4 1594 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [0,0,0,1,0,0|2,0,1]=4 1595 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,0,0,1,0,0|2,0,1]=4 1596 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,0,0,1,0,0|2,0,1]=4 1597 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,0,0,1,0,0|2,0,1]=4 1598 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,0,0,1,0,0|2,0,1]=4 1599 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,0,0,1,0,0|2,0,1]=4 1600 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,0,0,1,0,0|2,0,1]=4 1601 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,0,0,1,0,0|2,0,1]=4 1602 B10R1.127 CC(=O)NN=CC1CCC1 4a_100000189765_100000753134 [0,0,0,1,0,0|2,0,1]=4 1603 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,0,0,1,0,0|1,0,1]=3 1604 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,0,0,1,0,0|1,0,1]=3 1605 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,0,0,1,0,0|1,0,1]=3 1606 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,0,0,1,0,0|1,0,1]=3 1607 B10R1.127 CC(=O)OCSC1COC1 62a_100000076356_100009818527 [0,0,0,1,0,0|2,0,1]=4 1608 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,0,0,1,0,0|2,0,1]=4 1609 B10R1.177 CCC/C=C/COC1CC1 34a_100016278788_100000211595 [0,0,0,1,0,0|1,0,1]=3 1610 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,1,0,0|1,0,2]=4 1611 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,2]=4 1612 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,2]=4 1613 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 1614 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 1615 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|1,0,2]=4 1616 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|1,0,2]=4 1617 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,1,0,0|2,0,1]=4 1618 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,1,0,0|2,0,1]=4 1619 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,1,0,0|2,0,1]=4 1620 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,1,0,0|2,0,1]=4 1621 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,1,0,0|1,0,2]=4 1622 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,2]=4 1623 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [2,0,0,0,0,0|0,0,2]=4 1624 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [2,0,0,0,0,0|0,0,2]=4 1625 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|2,0,0]=4 1626 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|2,0,0]=4 1627 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|2,0,0]=4 1628 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|2,0,0]=4 1629 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 1630 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|2,0,0]=4 1631 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|2,0,0]=4 1632 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|0,0,2]=4 1633 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|0,0,2]=4 1634 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|0,0,2]=4 1635 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|0,0,2]=4 1636 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|0,0,2]=4 1637 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|2,0,0]=4 1638 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|2,0,0]=4 1639 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|2,0,0]=4 1640 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|2,0,0]=4 1641 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,1]=4 1642 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|0,0,1]=3 1643 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|0,0,1]=3 1644 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [2,0,0,0,0,0|1,0,1]=4 1645 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|0,1,1]=4 1646 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|0,1,1]=4 1647 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|2,0,0]=4 1648 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|2,0,0]=4 1649 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|2,0,0]=4 1650 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [2,0,0,0,0,0|0,0,0]=2 1651 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [2,0,0,0,0,0|0,0,0]=2 1652 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [2,0,0,0,0,0|0,0,0]=2 1653 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [2,0,0,0,0,0|0,0,0]=2 1654 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [2,0,0,0,0,0|0,0,2]=4 1655 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [2,0,0,0,0,0|0,0,2]=4 1656 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [2,0,0,0,0,0|0,0,2]=4 1657 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [2,0,0,0,0,0|0,0,2]=4 1658 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|0,0,2]=4 1659 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|0,0,2]=4 1660 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|0,0,2]=4 1661 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|0,0,2]=4 1662 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|0,0,2]=4 1663 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 1664 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,2]=4 1665 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,2]=4 1666 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,1]=4 1667 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,1]=4 1668 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|1,0,1]=4 1669 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,1]=4 1670 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,1]=4 1671 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|1,0,1]=4 1672 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,1]=4 1673 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,1]=4 1674 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|1,0,1]=4 1675 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|1,0,1]=4 1676 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|1,0,1]=4 1677 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|1,0,1]=4 1678 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|1,0,1]=4 1679 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 1680 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|1,0,1]=4 1681 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 1682 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 1683 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 1684 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|1,0,1]=4 1685 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|1,0,1]=4 1686 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|1,0,1]=4 1687 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|1,0,1]=4 1688 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|1,0,1]=4 1689 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|1,0,1]=4 1690 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|1,0,1]=4 1691 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|1,0,1]=4 1692 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [2,0,0,0,0,0|0,0,2]=4 1693 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [2,0,0,0,0,0|0,0,2]=4 1694 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [2,0,0,0,0,0|1,0,1]=4 1695 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [2,0,0,0,0,0|1,0,1]=4 1696 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [2,0,0,0,0,0|2,0,0]=4 1697 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [2,0,0,0,0,0|2,0,0]=4 1698 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [2,0,0,0,0,0|2,0,0]=4 1699 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [2,0,0,0,0,0|2,0,0]=4 1700 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,1]=4 1701 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,1]=4 1702 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,1]=4 1703 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,1]=4 1704 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,1]=4 1705 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,1]=4 1706 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,1]=4 1707 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [2,0,0,0,0,0|2,0,0]=4 1708 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [2,0,0,0,0,0|2,0,0]=4 1709 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [2,0,0,0,0,0|2,0,0]=4 1710 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1711 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1712 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 1713 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [2,0,0,0,0,0|2,0,0]=4 1714 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 1715 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 1716 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 1717 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 1718 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [2,0,0,0,0,0|2,0,0]=4 1719 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [2,0,0,0,0,0|2,0,0]=4 1720 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|1,0,0]=3 1721 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|1,0,0]=3 1722 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [2,0,0,0,0,0|2,0,0]=4 1723 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [2,0,0,0,0,0|2,0,0]=4 1724 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,0]=2 1725 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,0]=2 1726 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,0]=2 1727 B7R0.4 CC/C=C\CN(C)C 2230a_100102631434_100103147603 [2,0,0,0,0,0|2,0,0]=4 1728 B7R0.4 CC/C=C\CN(C)C 269982a_100102631434_100103147603 [2,0,0,0,0,0|2,0,0]=4 1729 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [2,0,0,0,0,0|1,0,1]=4 1730 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [2,0,0,0,0,0|0,0,2]=4 1731 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [2,0,0,0,0,0|2,0,0]=4 1732 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [2,0,0,0,0,0|0,0,2]=4 1733 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [2,0,0,0,0,0|0,0,2]=4 1734 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|0,0,0]=2 1735 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|0,0,0]=2 1736 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,1]=3 1737 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,1]=3 1738 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,1]=3 1739 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1740 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1741 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 1742 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,0]=3 1743 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 1744 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,1]=4 1745 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,1]=4 1746 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 1747 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 1748 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [2,0,0,0,0,0|2,0,0]=4 1749 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,0]=3 1750 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,0]=3 1751 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 1752 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,0]=3 1753 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|2,0,0]=4 1754 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,0]=3 1755 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 1756 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 1757 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,0]=3 1758 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|2,0,0]=4 1759 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|2,0,0]=4 1760 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [2,0,0,0,0,0|1,0,0]=3 1761 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [2,0,0,0,0,0|1,0,0]=3 1762 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,1]=4 1763 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,1]=4 1764 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1765 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,1]=4 1766 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,1]=4 1767 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|1,0,0]=3 1768 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,1]=4 1769 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,1]=4 1770 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,1]=4 1771 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,1]=4 1772 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,1]=4 1773 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|1,0,0]=3 1774 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|1,0,0]=3 1775 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,1]=4 1776 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,1]=4 1777 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 1778 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 1779 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 1780 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|1,0,0]=3 1781 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|1,0,0]=3 1782 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [2,0,0,0,0,0|2,0,0]=4 1783 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [2,0,0,0,0,0|2,0,0]=4 1784 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [2,0,0,0,0,0|1,0,0]=3 1785 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [2,0,0,0,0,0|1,0,0]=3 1786 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,1]=4 1787 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,1]=4 1788 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,1]=4 1789 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,1]=4 1790 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,1]=4 1791 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,1]=4 1792 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 1793 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 1794 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 1795 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 1796 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|1,0,0]=3 1797 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [2,0,0,0,0,0|2,0,0]=4 1798 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [2,0,0,0,0,0|2,0,0]=4 1799 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,1]=4 1800 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,1]=4 1801 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,1]=4 1802 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,1]=4 1803 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 1804 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 1805 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 1806 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [2,0,0,0,0,0|2,0,0]=4 1807 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [2,0,0,0,0,0|2,0,0]=4 1808 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [2,0,0,0,0,0|2,0,0]=4 1809 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|1,0,0]=3 1810 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|1,0,0]=3 1811 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [2,0,0,0,0,0|2,0,0]=4 1812 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [2,0,0,0,0,0|2,0,0]=4 1813 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [2,0,0,0,0,0|2,0,0]=4 1814 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,1]=4 1815 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [2,0,0,0,0,0|2,0,0]=4 1816 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [2,0,0,0,0,0|2,0,0]=4 1817 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [2,0,0,0,0,0|2,0,0]=4 1818 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [2,0,0,0,0,0|2,0,0]=4 1819 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [1,1,0,0,0,0|1,0,1]=4 1820 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,1,0,0,0,0|0,0,2]=4 1821 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,1,0,0,0,0|0,0,2]=4 1822 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|0,0,2]=4 1823 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|0,0,2]=4 1824 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,1,0,0,0,0|1,0,1]=4 1825 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [1,1,0,0,0,0|1,0,1]=4 1826 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|1,0,1]=4 1827 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [1,1,0,0,0,0|1,0,1]=4 1828 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|1,0,1]=4 1829 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|1,0,1]=4 1830 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [1,1,0,0,0,0|2,0,0]=4 1831 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [1,1,0,0,0,0|2,0,0]=4 1832 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [1,1,0,0,0,0|2,0,0]=4 1833 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [1,1,0,0,0,0|2,0,0]=4 1834 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,2]=4 1835 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 1836 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 1837 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 1838 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,1]=4 1839 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,1]=4 1840 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,1]=4 1841 B9R0.45 C#CCOC/C=C/CCC 34a_100016278788_100000184674 [1,1,0,0,0,0|0,0,2]=4 1842 B9R0.45 C#CCOC/C=C/CCC 7a_100016278788_100000038162 [1,1,0,0,0,0|0,0,2]=4 1843 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [1,1,0,0,0,0|0,0,2]=4 1844 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [1,1,0,0,0,0|0,0,1]=3 1845 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [1,1,0,0,0,0|0,0,1]=3 1846 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,1,0,0,0,0|0,0,2]=4 1847 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,1,0,0,0,0|0,0,2]=4 1848 B9R0.45 CCC/C=C/COCC#N 7a_100016278788_100011215382 [1,1,0,0,0,0|0,0,2]=4 1849 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [1,1,0,0,0,0|0,0,0]=2 1850 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [1,1,0,0,0,0|0,0,0]=2 1851 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,1,0,0,0,0|0,0,1]=3 1852 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,1,0,0,0,0|0,0,1]=3 1853 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [1,1,0,0,0,0|0,0,1]=3 1854 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [1,1,0,0,0,0|0,0,1]=3 1855 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [1,1,0,0,0,0|0,0,1]=3 1856 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [1,1,0,0,0,0|0,0,1]=3 1857 B9R0.45 CCC/C=C/COCSC 34a_100016278788_100011218213 [1,1,0,0,0,0|0,0,1]=3 1858 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [1,1,0,0,0,0|0,0,2]=4 1859 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [1,1,0,0,0,0|0,0,2]=4 1860 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,1,0,0,0,0|0,0,1]=3 1861 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,1,0,0,0,0|0,0,1]=3 1862 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [1,1,0,0,0,0|1,0,1]=4 1863 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [1,1,0,0,0,0|1,0,1]=4 1864 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,1,0,0,0,0|1,0,1]=4 1865 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,1,0,0,0,0|1,0,1]=4 1866 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,1,0,0,0,0|1,0,1]=4 1867 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,1,0,0,0,0|1,0,1]=4 1868 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|0,0,2]=4 1869 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|0,0,2]=4 1870 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,1,0,0,0,0|1,0,1]=4 1871 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,1,0,0,0,0|1,0,1]=4 1872 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,1,0,0,0,0|1,0,1]=4 1873 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,1,0,0,0,0|1,0,1]=4 1874 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,1,0,0,0,0|1,0,1]=4 1875 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [1,1,0,0,0,0|2,0,0]=4 1876 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [1,1,0,0,0,0|2,0,0]=4 1877 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [1,1,0,0,0,0|2,0,0]=4 1878 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [1,1,0,0,0,0|2,0,0]=4 1879 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,1,0,0,0,0|1,0,1]=4 1880 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [1,1,0,0,0,0|2,0,0]=4 1881 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [1,1,0,0,0,0|2,0,0]=4 1882 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [1,1,0,0,0,0|2,0,0]=4 1883 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [1,1,0,0,0,0|2,0,0]=4 1884 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [1,1,0,0,0,0|2,0,0]=4 1885 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|1,0,1]=4 1886 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,1,0,0,0,0|1,0,1]=4 1887 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,1,0,0,0,0|1,0,1]=4 1888 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,1,0,0,0,0|0,0,1]=3 1889 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [1,1,0,0,0,0|1,0,1]=4 1890 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,1,0,0,0,0|0,1,1]=4 1891 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [1,1,0,0,0,0|2,0,0]=4 1892 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 1893 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 1894 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,1,0,0,0,0|1,0,1]=4 1895 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,1,0,0,0,0|1,0,1]=4 1896 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [1,1,0,0,0,0|1,0,1]=4 1897 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [1,1,0,0,0,0|1,0,1]=4 1898 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [1,1,0,0,0,0|1,0,1]=4 1899 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [1,1,0,0,0,0|1,0,1]=4 1900 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [1,1,0,0,0,0|1,0,1]=4 1901 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [1,1,0,0,0,0|1,0,1]=4 1902 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [1,1,0,0,0,0|1,0,0]=3 1903 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [1,1,0,0,0,0|1,0,0]=3 1904 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [1,1,0,0,0,0|1,0,1]=4 1905 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [1,1,0,0,0,0|1,0,1]=4 1906 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [1,1,0,0,0,0|1,0,1]=4 1907 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [1,1,0,0,0,0|2,0,0]=4 1908 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [1,1,0,0,0,0|2,0,0]=4 1909 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [1,1,0,0,0,0|1,0,1]=4 1910 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,1,0,0,0,0|1,0,1]=4 1911 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [1,1,0,0,0,0|2,0,0]=4 1912 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [1,1,0,0,0,0|2,0,0]=4 1913 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [1,1,0,0,0,0|2,0,0]=4 1914 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [1,1,0,0,0,0|2,0,0]=4 1915 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [1,1,0,0,0,0|2,0,0]=4 1916 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [1,1,0,0,0,0|1,0,1]=4 1917 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [1,1,0,0,0,0|1,0,1]=4 1918 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,1,0,0,0,0|1,0,1]=4 1919 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,1,0,0,0,0|1,0,1]=4 1920 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,1,0,0,0,0|1,0,1]=4 1921 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 1922 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 1923 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,1,0,0,0,0|1,0,1]=4 1924 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,1,0,0,0,0|1,0,1]=4 1925 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [1,1,0,0,0,0|1,0,0]=3 1926 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [1,1,0,0,0,0|2,0,0]=4 1927 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [1,1,0,0,0,0|2,0,0]=4 1928 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,1,0,0,0,0|1,0,0]=3 1929 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [1,1,0,0,0,0|1,0,0]=3 1930 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [1,1,0,0,0,0|1,0,0]=3 1931 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [1,1,0,0,0,0|2,0,0]=4 1932 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [1,1,0,0,0,0|2,0,0]=4 1933 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [1,1,0,0,0,0|2,0,0]=4 1934 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [1,1,0,0,0,0|2,0,0]=4 1935 B9R0.38 CC/C=C\COC(C)(C)C 34a_100015890283_100103147603 [1,1,0,0,0,0|1,0,1]=4 1936 B9R0.38 CC/C=C\COC(C)(C)C 34a_100016268518_100000210625 [1,1,0,0,0,0|1,0,1]=4 1937 B9R0.38 CC/C=C\COC(C)(C)C 7a_100015890283_100103147603 [1,1,0,0,0,0|1,0,1]=4 1938 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [1,1,0,0,0,0|2,0,0]=4 1939 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|0,0,2]=4 1940 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|0,0,2]=4 1941 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|0,0,2]=4 1942 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 1943 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 1944 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [1,1,0,0,0,0|1,0,1]=4 1945 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [1,1,0,0,0,0|1,0,1]=4 1946 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [1,1,0,0,0,0|1,0,1]=4 1947 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [1,1,0,0,0,0|1,0,1]=4 1948 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,1,0,0,0,0|1,0,1]=4 1949 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,1,0,0,0,0|1,0,1]=4 1950 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [1,1,0,0,0,0|1,0,1]=4 1951 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [1,1,0,0,0,0|1,0,1]=4 1952 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [1,1,0,0,0,0|1,0,1]=4 1953 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [1,1,0,0,0,0|1,0,1]=4 1954 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [1,1,0,0,0,0|2,0,0]=4 1955 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [1,1,0,0,0,0|1,0,1]=4 1956 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [1,1,0,0,0,0|1,0,1]=4 1957 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [1,1,0,0,0,0|2,0,0]=4 1958 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [1,1,0,0,0,0|2,0,0]=4 1959 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [1,1,0,0,0,0|0,0,2]=4 1960 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|1,0,1]=4 1961 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|1,0,1]=4 1962 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [1,1,0,0,0,0|2,0,0]=4 1963 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [1,1,0,0,0,0|2,0,0]=4 1964 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [1,1,0,0,0,0|2,0,0]=4 1965 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [1,1,0,0,0,0|2,0,0]=4 1966 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [1,1,0,0,0,0|0,0,2]=4 1967 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [1,1,0,0,0,0|2,0,0]=4 1968 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [1,1,0,0,0,0|2,0,0]=4 1969 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [1,1,0,0,0,0|1,0,1]=4 1970 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [1,1,0,0,0,0|1,0,0]=3 1971 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [1,1,0,0,0,0|1,0,0]=3 1972 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [1,1,0,0,0,0|1,0,0]=3 1973 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [1,1,0,0,0,0|1,0,0]=3 1974 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [1,1,0,0,0,0|1,0,1]=4 1975 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [1,1,0,0,0,0|1,0,1]=4 1976 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [1,1,0,0,0,0|2,0,0]=4 1977 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [1,1,0,0,0,0|1,1,0]=4 1978 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [1,1,0,0,0,0|1,1,0]=4 1979 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [1,1,0,0,0,0|2,0,0]=4 1980 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [1,1,0,0,0,0|2,0,0]=4 1981 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [1,1,0,0,0,0|2,0,0]=4 1982 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [1,1,0,0,0,0|1,0,1]=4 1983 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [1,1,0,0,0,0|1,0,0]=3 1984 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [1,1,0,0,0,0|2,0,0]=4 1985 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [1,1,0,0,0,0|0,0,0]=2 1986 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,1,0,0,0,0|1,0,1]=4 1987 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [1,1,0,0,0,0|0,1,0]=3 1988 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [1,1,0,0,0,0|2,0,0]=4 1989 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [1,1,0,0,0,0|2,0,0]=4 1990 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [1,1,0,0,0,0|2,0,0]=4 1991 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [1,1,0,0,0,0|2,0,0]=4 1992 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [1,1,0,0,0,0|2,0,0]=4 1993 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [1,1,0,0,0,0|1,0,0]=3 1994 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [1,1,0,0,0,0|1,0,1]=4 1995 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [1,1,0,0,0,0|1,0,1]=4 1996 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [1,1,0,0,0,0|1,0,0]=3 1997 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,0,0,0,0|1,0,1]=4 1998 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,0,0,0,0|1,0,1]=4 1999 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2000 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2001 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2002 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2003 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [1,1,0,0,0,0|2,0,0]=4 2004 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [1,1,0,0,0,0|2,0,0]=4 2005 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [1,1,0,0,0,0|2,0,0]=4 2006 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [1,1,0,0,0,0|1,0,0]=3 2007 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [1,1,0,0,0,0|1,0,0]=3 2008 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [1,1,0,0,0,0|1,1,0]=4 2009 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [1,1,0,0,0,0|1,1,0]=4 2010 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [1,1,0,0,0,0|1,0,1]=4 2011 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [1,1,0,0,0,0|1,0,1]=4 2012 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [1,1,0,0,0,0|1,0,1]=4 2013 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,0,0,0,0|1,0,1]=4 2014 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,0,0,0,0|1,0,1]=4 2015 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [1,1,0,0,0,0|2,0,0]=4 2016 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [1,1,0,0,0,0|2,0,0]=4 2017 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [1,1,0,0,0,0|2,0,0]=4 2018 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [1,1,0,0,0,0|1,0,0]=3 2019 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [1,1,0,0,0,0|1,0,1]=4 2020 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [1,1,0,0,0,0|1,0,1]=4 2021 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [1,1,0,0,0,0|2,0,0]=4 2022 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [1,1,0,0,0,0|1,0,0]=3 2023 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [1,1,0,0,0,0|1,0,1]=4 2024 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [1,1,0,0,0,0|1,0,0]=3 2025 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [1,1,0,0,0,0|1,0,0]=3 2026 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [1,1,0,0,0,0|1,0,1]=4 2027 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [1,1,0,0,0,0|1,0,1]=4 2028 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [1,1,0,0,0,0|1,0,1]=4 2029 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [1,1,0,0,0,0|1,0,1]=4 2030 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [1,1,0,0,0,0|1,0,1]=4 2031 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|0,0,2]=4 2032 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|0,0,2]=4 2033 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,0,0,0,0|0,0,2]=4 2034 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,1,0,0,0,0|1,0,1]=4 2035 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,1,0,0,0,0|1,0,1]=4 2036 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 2037 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|1,0,1]=4 2038 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 2039 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|1,0,1]=4 2040 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,1,0,0,0,0|1,0,1]=4 2041 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,1,0,0,0,0|1,0,1]=4 2042 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|1,0,1]=4 2043 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|1,0,1]=4 2044 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|1,0,1]=4 2045 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|1,0,1]=4 2046 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,1,0,0,0,0|1,0,1]=4 2047 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,1,0,0,0,0|1,0,1]=4 2048 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [1,1,0,0,0,0|1,0,1]=4 2049 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 2050 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 2051 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,1,0,0,0,0|1,0,1]=4 2052 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,1,0,0,0,0|1,0,1]=4 2053 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [1,1,0,0,0,0|2,0,0]=4 2054 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [1,1,0,0,0,0|1,0,1]=4 2055 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [1,1,0,0,0,0|1,0,1]=4 2056 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [1,1,0,0,0,0|1,0,1]=4 2057 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [1,1,0,0,0,0|1,0,1]=4 2058 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [1,1,0,0,0,0|1,0,1]=4 2059 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [1,1,0,0,0,0|1,0,0]=3 2060 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [1,1,0,0,0,0|1,0,0]=3 2061 B9R0.55 CC(=O)OCNCC(F)F 34a_100000765723_100009813279 [1,1,0,0,0,0|2,0,0]=4 2062 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [1,1,0,0,0,0|1,0,0]=3 2063 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [1,1,0,0,0,0|1,0,0]=3 2064 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [1,1,0,0,0,0|1,0,0]=3 2065 B9R0.55 CC(=O)OCOCC(F)F 34a_100000743014_100009813279 [1,1,0,0,0,0|2,0,0]=4 2066 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [1,1,0,0,0,0|1,0,0]=3 2067 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [1,1,0,0,0,0|1,0,0]=3 2068 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [1,1,0,0,0,0|1,0,0]=3 2069 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [1,1,0,0,0,0|1,0,0]=3 2070 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [1,1,0,0,0,0|1,0,0]=3 2071 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [1,1,0,0,0,0|1,0,0]=3 2072 B9R0.55 CC(=O)OCSCC(F)F 62a_100000076356_100011934356 [1,1,0,0,0,0|2,0,0]=4 2073 B9R0.55 CC(=O)OCSCC(F)F 62a_100011934356_100000076356 [1,1,0,0,0,0|2,0,0]=4 2074 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [1,1,0,0,0,0|1,0,0]=3 2075 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [1,1,0,0,0,0|1,0,0]=3 2076 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|0,0,2]=4 2077 B11R0.1 CCCC(C)SC(C)OC(=O)C 62a_100000766640_100009818208 [0,2,0,0,0,0|1,0,1]=4 2078 B11R0.1 CCCC(C)SC(C)OC(=O)C 62a_100009818208_100000766640 [0,2,0,0,0,0|1,0,1]=4 2079 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,2,0,0,0,0|1,0,1]=4 2080 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,2,0,0,0,0|1,0,1]=4 2081 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000183196_100000210624 [0,2,0,0,0,0|1,0,1]=4 2082 B11R0.6 CC(=O)NCCC(=O)CC(C)C 1458a_100000210554_100000189650 [0,2,0,0,0,0|1,0,1]=4 2083 B11R0.6 CC(=O)NCCC(=O)CC(C)O 1458a_100000183196_100011218427 [0,2,0,0,0,0|1,0,1]=4 2084 B11R0.6 CC(=O)NCCC(=O)C[C@@H](C)O 1458a_100011933948_100000189650 [0,2,0,0,0,0|1,0,1]=4 2085 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100000210312_100009818208 [0,2,0,0,0,0|1,0,1]=4 2086 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100009818208_100000210312 [0,2,0,0,0,0|1,0,1]=4 2087 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100009818208_100012276601 [0,2,0,0,0,0|1,0,1]=4 2088 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100012276601_100009818208 [0,2,0,0,0,0|1,0,1]=4 2089 B11R0.6 CC(=O)OCCC(=O)CC(C)C 1458a_100000210554_100009814007 [0,2,0,0,0,0|0,0,1]=3 2090 B11R0.6 CC(=O)OCCC(=O)CN(C)C 1458a_100000750896_100009814007 [0,2,0,0,0,0|1,0,1]=4 2091 B11R0.6 CC(=O)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100009814007 [0,2,0,0,0,0|0,0,1]=3 2092 B11R0.6 CC(=O)OCCC(=O)C[S+](C)C 1458a_200159257847_100009814007 [0,2,0,0,0,0|1,0,1]=4 2093 B11R0.6 CC(=O)OCCN(C)CC(C)C 269982a_100000747067_100009814007 [0,2,0,0,0,0|1,0,1]=4 2094 B11R0.6 CC(=O)OCCN(C)CC(C)O 269982a_100000227577_100009814007 [0,2,0,0,0,0|1,0,1]=4 2095 B11R0.6 CC(=O)OCOC(C)CC(C)C 34a_100000211805_100009813279 [0,2,0,0,0,0|1,0,1]=4 2096 B11R0.6 CC(=O)OCSC(C)CC(C)C 62a_100000076356_100000731052 [0,2,0,0,0,0|1,0,1]=4 2097 B11R0.6 CC(=O)OCSC(C)CC(C)C 62a_100000731052_100000076356 [0,2,0,0,0,0|1,0,1]=4 2098 B11R0.6 CC(=O)SCCC(=O)CC(C)C 1458a_100000048949_100000210624 [0,2,0,0,0,0|0,1,1]=4 2099 B11R0.6 CC(=O)SCCC(=O)CC(C)O 1458a_100000048949_100011218427 [0,2,0,0,0,0|0,1,1]=4 2100 B11R0.6 CC(C)CC(=O)CCOC(=O)N 1458a_100000210554_200011214921 [0,2,0,0,0,0|1,0,1]=4 2101 B11R0.6 C[C@@H](O)CC(=O)CCOC(=O)N 1458a_100011933948_200011214921 [0,2,0,0,0,0|1,0,1]=4 2102 B11R0.45 C#CC(CCC)OCOC(=O)C 34a_200011217317_100009813279 [0,2,0,0,0,0|1,0,1]=4 2103 B11R0.45 C=CC(CCC)OCOC(=O)C 34a_100011216692_100009813279 [0,2,0,0,0,0|1,0,1]=4 2104 B11R0.45 CCCC(C#N)OCOC(=O)C 34a_100000686963_100009813279 [0,2,0,0,0,0|1,0,1]=4 2105 B11R0.45 CCCC(CC)OCOC(=O)C 34a_100000687864_100009813279 [0,2,0,0,0,0|1,0,1]=4 2106 B11R0.45 CCCC(CC)SCOC(=O)C 62a_100000076356_100011219200 [0,2,0,0,0,0|1,0,1]=4 2107 B11R0.45 CCCC(CC)SCOC(=O)C 62a_100011219200_100000076356 [0,2,0,0,0,0|1,0,1]=4 2108 B11R0.45 CCCN(CC)CCOC(=O)C 269982a_100000226822_100009814007 [0,2,0,0,0,0|1,0,1]=4 2109 B11R0.45 CCC[C@@H](CO)NCOC(=O)C 34a_100000732646_100009813279 [0,2,0,0,0,0|1,0,1]=4 2110 B11R0.59 CC(=O)OCC(=O)C(C)CCO 1458a_100000183556_100009893172 [0,2,0,0,0,0|1,0,1]=4 2111 B11R0.59 CC(=O)OCC(=O)N(C)CCO 240690a_100000210263_100000183556 [0,2,0,0,0,0|2,0,0]=4 2112 B11R0.59 CC(=O)OCC(=O)N(C)CCO 527a_100000210263_100000183556 [0,2,0,0,0,0|2,0,0]=4 2113 B11R0.59 CCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210303 [0,2,0,0,0,0|0,1,1]=4 2114 B11R0.59 CCCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000766640 [0,2,0,0,0,0|1,0,1]=4 2115 B11R0.59 CCCC(C)C(=O)COC(=O)C 1458a_100000183556_100000766640 [0,2,0,0,0,0|0,0,1]=3 2116 B11R0.59 CCCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000766640 [0,2,0,0,0,0|0,1,1]=4 2117 B11R0.59 CCCN(C)C(=O)CNC(=O)C 11a_100000747261_100000194580 [0,2,0,0,0,0|2,0,0]=4 2118 B11R0.59 CCCN(C)C(=O)CNC(=O)C 1626a_100000747261_100000194580 [0,2,0,0,0,0|2,0,0]=4 2119 B11R0.59 CCCN(C)C(=O)CNC(=O)C 240690a_100000747261_100000194580 [0,2,0,0,0,0|2,0,0]=4 2120 B11R0.59 CCCN(C)C(=O)CNC(=O)C 527a_100000747261_100000194580 [0,2,0,0,0,0|2,0,0]=4 2121 B11R0.59 CCCN(C)C(=O)COC(=O)C 1626a_100000747261_100000183556 [0,2,0,0,0,0|1,0,0]=3 2122 B11R0.59 CCCN(C)C(=O)COC(=O)C 240690a_100000747261_100000183556 [0,2,0,0,0,0|1,0,0]=3 2123 B11R0.59 CCCN(C)C(=O)COC(=O)C 527a_100000747261_100000183556 [0,2,0,0,0,0|1,0,0]=3 2124 B11R0.59 CCCN(C)C(=O)CSC(=O)C 11a_100000747261_100000049016 [0,2,0,0,0,0|1,1,0]=4 2125 B11R0.59 CCCN(C)C(=O)CSC(=O)C 1626a_100000747261_100000049016 [0,2,0,0,0,0|1,1,0]=4 2126 B11R0.59 CCCN(C)C(=O)CSC(=O)C 240690a_100000747261_100000049016 [0,2,0,0,0,0|1,1,0]=4 2127 B11R0.59 CCCN(C)C(C)COC(=O)C 270004a_100000747261_100000000629 [0,2,0,0,0,0|1,0,1]=4 2128 B11R0.59 COCC(C)C(=O)COC(=O)C 1458a_100000183556_100000765312 [0,2,0,0,0,0|1,0,1]=4 2129 B11R0.141 CCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210303 [0,2,0,0,0,0|1,0,1]=4 2130 B11R0.145 CC(=O)OCCC(=O)C(O)CO 1458a_100011215603_100009814007 [0,2,0,0,0,0|1,0,1]=4 2131 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,2,0,0,0,0|1,0,1]=4 2132 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000758301 [0,2,0,0,0,0|1,0,1]=4 2133 B11R0.145 CCC(C)C(=O)CCNC(=O)C 1458a_100011192722_100000189650 [0,2,0,0,0,0|1,0,1]=4 2134 B11R0.145 CCC(C)C(=O)CCOC(=O)C 1458a_100011192722_100009814007 [0,2,0,0,0,0|0,0,1]=3 2135 B11R0.145 CCC(C)C(=O)CCOC(=O)N 1458a_100011192722_200011214921 [0,2,0,0,0,0|1,0,1]=4 2136 B11R0.145 CCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000758301 [0,2,0,0,0,0|0,1,1]=4 2137 B11R0.145 CCC(C)N(C)CCOC(=O)C 269982a_100000741768_100009814007 [0,2,0,0,0,0|1,0,1]=4 2138 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,2,0,0,0,0|1,0,1]=4 2139 B11R0.145 CCC(O)C(=O)CCNC(=O)C 1458a_100011196387_100000189650 [0,2,0,0,0,0|1,0,1]=4 2140 B11R0.145 CCC(O)C(=O)CCOC(=O)C 1458a_100011196387_100009814007 [0,2,0,0,0,0|0,0,1]=3 2141 B11R0.145 CCC(O)C(=O)CCOC(=O)N 1458a_100011196387_200011214921 [0,2,0,0,0,0|1,0,1]=4 2142 B11R0.145 COC(C)C(=O)CCOC(=O)C 1458a_100000743197_100009814007 [0,2,0,0,0,0|1,0,1]=4 2143 B11R0.145 CSC(C)C(=O)CCOC(=O)C 1458a_100000149566_100009814007 [0,2,0,0,0,0|1,0,1]=4 2144 B11R0.147 C#CCCC(=O)CCOC(=O)C 1458a_100000692101_100009814007 [0,2,0,0,0,0|0,0,2]=4 2145 B11R0.147 C=C(C)COCC(=O)NCCC 34a_100000210245_100000183358 [0,2,0,0,0,0|2,0,0]=4 2146 B11R0.147 C=C(C)COCC(=O)OCCC 34a_100000210245_200011215008 [0,2,0,0,0,0|2,0,0]=4 2147 B11R0.147 C=C(C=NNC(=O)C)CCCC 4a_100000189765_100000211282 [0,2,0,0,0,0|2,0,0]=4 2148 B11R0.147 C=C(COCC(=O)C)OCOC 34a_100000211253_100000042856 [0,2,0,0,0,0|2,0,0]=4 2149 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [0,2,0,0,0,0|0,0,2]=4 2150 B11R0.147 CC(=O)NCCC(=O)CCCF 1458a_100000183196_100011934791 [0,2,0,0,0,0|1,0,1]=4 2151 B11R0.147 CC(=O)NCCC(=O)CCCO 1458a_100000183196_100011215043 [0,2,0,0,0,0|1,0,1]=4 2152 B11R0.147 CC(=O)OCCC(=O)CCC#N 1458a_100011934036_100009814007 [0,2,0,0,0,0|0,0,2]=4 2153 B11R0.147 CC(=O)OCCN(C)CCCO 269982a_100000213112_100009814007 [0,2,0,0,0,0|1,0,1]=4 2154 B11R0.147 CC(=O)OCOC(C)CCCCl 34a_200000718107_100009813279 [0,2,0,0,0,0|1,0,1]=4 2155 B11R0.147 CC(=O)SCCC(=O)CCCF 1458a_100000048949_100011934791 [0,2,0,0,0,0|0,1,1]=4 2156 B11R0.147 CC(=O)SCCC(=O)CCCO 1458a_100000048949_100011215043 [0,2,0,0,0,0|0,1,1]=4 2157 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [0,2,0,0,0,0|0,0,2]=4 2158 B11R0.147 CCC#CC(=O)CCOC(=O)C 1458a_100011827653_100009814007 [0,2,0,0,0,0|0,0,2]=4 2159 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,2,0,0,0,0|1,0,1]=4 2160 B11R0.147 CCC=CC(=O)CCNC(=O)C 1458a_100000212282_100000189650 [0,2,0,0,0,0|1,0,1]=4 2161 B11R0.147 CCC=CC(=O)CCOC(=O)C 1458a_100000212282_100009814007 [0,2,0,0,0,0|0,0,1]=3 2162 B11R0.147 CCC=CC(=O)CCOC(=O)N 1458a_100000212282_200011214921 [0,2,0,0,0,0|1,0,1]=4 2163 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|1,0,1]=4 2164 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,2,0,0,0,0|1,0,1]=4 2165 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,2,0,0,0,0|1,0,1]=4 2166 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,2,0,0,0,0|0,0,1]=3 2167 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,2,0,0,0,0|1,0,1]=4 2168 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,2,0,0,0,0|0,1,1]=4 2169 B11R0.147 CCCCC(=O)COCC(=O)N 1458a_100011219004_100000210211 [0,2,0,0,0,0|1,0,1]=4 2170 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,2,0,0,0,0|0,0,2]=4 2171 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,2,0,0,0,0|0,0,2]=4 2172 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,2,0,0,0,0|0,0,2]=4 2173 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,2,0,0,0,0|0,0,2]=4 2174 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,2,0,0,0,0|1,0,1]=4 2175 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,2,0,0,0,0|1,0,1]=4 2176 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,2,0,0,0,0|1,0,1]=4 2177 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 2178 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 2179 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 2180 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [0,2,0,0,0,0|1,0,1]=4 2181 B11R0.147 CCCNC(=O)CCSC(=O)C 1626a_100020643023_100000048949 [0,2,0,0,0,0|0,1,1]=4 2182 B11R0.147 CCCNC(=O)CCSC(=O)C 240690a_100020643023_100000048949 [0,2,0,0,0,0|0,1,1]=4 2183 B11R0.147 CCCNC(=O)COCC(=O)C 34a_100000211253_100000183358 [0,2,0,0,0,0|1,0,0]=3 2184 B11R0.147 CCCNC(=O)COCC(=O)N 1626a_100020643023_100011219004 [0,2,0,0,0,0|2,0,0]=4 2185 B11R0.147 CCCNC(=O)COCC(=O)N 240690a_100020643023_100011219004 [0,2,0,0,0,0|2,0,0]=4 2186 B11R0.147 CCCNC(=O)COCC(=O)N 527a_100020643023_100011219004 [0,2,0,0,0,0|2,0,0]=4 2187 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [0,2,0,0,0,0|1,0,0]=3 2188 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,2,0,0,0,0|1,0,1]=4 2189 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,2,0,0,0,0|1,0,1]=4 2190 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,2,0,0,0,0|0,0,1]=3 2191 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [0,2,0,0,0,0|1,0,1]=4 2192 B11R0.147 CCOCC(C)OCOC(=O)C 34a_100000718985_100009813279 [0,2,0,0,0,0|1,0,1]=4 2193 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,2,0,0,0,0|1,0,1]=4 2194 B11R0.147 CCSCC(=O)CCNC(=O)C 1458a_100000230394_100000189650 [0,2,0,0,0,0|1,0,1]=4 2195 B11R0.147 CCSCC(=O)CCOC(=O)C 1458a_100000230394_100009814007 [0,2,0,0,0,0|0,0,1]=3 2196 B11R0.147 CCSCC(=O)CCOC(=O)N 1458a_100000230394_200011214921 [0,2,0,0,0,0|1,0,1]=4 2197 B11R0.147 COC=CC(=O)CCOC(=O)C 1458a_100016268678_100009814007 [0,2,0,0,0,0|1,0,1]=4 2198 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,2,0,0,0,0|1,0,1]=4 2199 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [0,2,0,0,0,0|1,0,1]=4 2200 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [0,2,0,0,0,0|1,0,1]=4 2201 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [0,2,0,0,0,0|0,0,1]=3 2202 B11R0.147 COCCC(=O)CCOC(=O)N 1458a_100000749529_200011214921 [0,2,0,0,0,0|1,0,1]=4 2203 B11R0.147 COCCC(=O)CCSC(=O)C 1458a_100000048949_100000233755 [0,2,0,0,0,0|0,1,1]=4 2204 B11R0.147 COCCN(C)CCOC(=O)C 269982a_100000743101_100009814007 [0,2,0,0,0,0|1,0,1]=4 2205 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,2,0,0,0,0|1,0,1]=4 2206 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000174002_100000189650 [0,2,0,0,0,0|1,0,1]=4 2207 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000183196_100000751147 [0,2,0,0,0,0|1,0,1]=4 2208 B11R0.147 CSCCC(=O)CCOC(=O)C 1458a_100000174002_100009814007 [0,2,0,0,0,0|0,0,1]=3 2209 B11R0.147 CSCCC(=O)CCOC(=O)N 1458a_100000174002_200011214921 [0,2,0,0,0,0|1,0,1]=4 2210 B11R0.147 CSCCC(=O)CCSC(=O)C 1458a_100000048949_100000751147 [0,2,0,0,0,0|0,1,1]=4 2211 B11R0.147 CSCCN(C)CCOC(=O)C 269982a_100000686725_100009814007 [0,2,0,0,0,0|1,0,1]=4 2212 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000065099_100000210303 [0,2,0,0,0,0|0,0,2]=4 2213 B11R0.174 C=CC(=O)OCCC(=O)CCC 1458a_100000211992_100009813456 [0,2,0,0,0,0|0,0,2]=4 2214 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,2,0,0,0,0|1,0,1]=4 2215 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,2,0,0,0,0|1,0,1]=4 2216 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,2,0,0,0,0|1,0,1]=4 2217 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,2,0,0,0,0|0,0,1]=3 2218 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,2,0,0,0,0|2,0,0]=4 2219 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,2,0,0,0,0|2,0,0]=4 2220 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,2,0,0,0,0|2,0,0]=4 2221 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,2,0,0,0,0|2,0,0]=4 2222 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [0,2,0,0,0,0|1,0,1]=4 2223 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,2,0,0,0,0|1,0,1]=4 2224 B11R0.174 CNC(=O)OCCC(=O)CCO 1458a_100011216618_200011997002 [0,2,0,0,0,0|1,0,1]=4 2225 B11R0.174 CNC(=O)OCCC(=O)COC 1458a_100000210968_200011997002 [0,2,0,0,0,0|1,0,1]=4 2226 B11R0.174 CNC(=O)OCCC(=O)CSC 1458a_100000184570_200011997002 [0,2,0,0,0,0|1,0,1]=4 2227 B11R0.180 CCCC(=O)CCOS(=O)(=O)C 1458a_100000211992_200000036756 [0,2,0,0,0,0|1,0,1]=4 2228 B11R0.2 C=C(C)CC(=O)C/C=C/CCC 1458a_200016266809_100000748629 [0,2,0,0,0,0|2,0,0]=4 2229 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100000729493_100009818208 [0,2,0,0,0,0|1,0,1]=4 2230 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100009818208_100000729493 [0,2,0,0,0,0|1,0,1]=4 2231 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100000210776_100009818208 [0,2,0,0,0,0|1,0,1]=4 2232 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100009818208_100000210776 [0,2,0,0,0,0|1,0,1]=4 2233 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100009818208_100103147603 [0,2,0,0,0,0|0,0,2]=4 2234 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100103147603_100009818208 [0,2,0,0,0,0|0,0,2]=4 2235 B11R0.2 CCC/C=C/CC(=O)CC(=O)N 1458a_200016266809_100000187820 [0,2,0,0,0,0|2,0,0]=4 2236 B11R0.2 CCC/C=C/CC(=O)CC(=O)[O-] 1458a_200016266809_100020667443 [0,2,0,0,0,0|2,0,0]=4 2237 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,2,0,0,0,0|0,0,2]=4 2238 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,2,0,0,0,0|0,0,2]=4 2239 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100000210147_100009818208 [0,2,0,0,0,0|1,0,1]=4 2240 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100009818208_100011215890 [0,2,0,0,0,0|1,0,1]=4 2241 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100000757381_100009818208 [0,2,0,0,0,0|1,0,1]=4 2242 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100009818208_100000757381 [0,2,0,0,0,0|1,0,1]=4 2243 B11R0.2 COCCCSC(C)OC(=O)C 62a_100000709357_100009818208 [0,2,0,0,0,0|1,0,1]=4 2244 B11R0.2 COCCCSC(C)OC(=O)C 62a_100009818208_100000709357 [0,2,0,0,0,0|1,0,1]=4 2245 B11R0.30 C=C(C)CCOCCOC(=O)C 34a_100000764851_100009814007 [0,2,0,0,0,0|1,0,1]=4 2246 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100000730704_100009814007 [0,2,0,0,0,0|1,0,1]=4 2247 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100009814007_100000730704 [0,2,0,0,0,0|1,0,1]=4 2248 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,2,0,0,0,0|0,0,2]=4 2249 B11R0.30 CC(=O)CCCOCOC(=O)C 34a_100000759063_100009813279 [0,2,0,0,0,0|1,0,1]=4 2250 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [0,2,0,0,0,0|1,0,1]=4 2251 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [0,2,0,0,0,0|1,0,1]=4 2252 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [0,2,0,0,0,0|1,0,1]=4 2253 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [0,2,0,0,0,0|1,0,1]=4 2254 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [0,2,0,0,0,0|1,0,1]=4 2255 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [0,2,0,0,0,0|1,0,1]=4 2256 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [0,2,0,0,0,0|1,0,1]=4 2257 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,2,0,0,0,0|0,0,2]=4 2258 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,2,0,0,0,0|0,0,2]=4 2259 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,2,0,0,0,0|0,0,2]=4 2260 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [0,2,0,0,0,0|0,0,2]=4 2261 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [0,2,0,0,0,0|0,0,2]=4 2262 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [0,2,0,0,0,0|0,0,2]=4 2263 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [0,2,0,0,0,0|0,0,2]=4 2264 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [0,2,0,0,0,0|0,0,2]=4 2265 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [0,2,0,0,0,0|0,0,2]=4 2266 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [0,2,0,0,0,0|0,0,2]=4 2267 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,2,0,0,0,0|0,0,2]=4 2268 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [0,2,0,0,0,0|0,0,2]=4 2269 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [0,2,0,0,0,0|0,0,2]=4 2270 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [0,2,0,0,0,0|0,0,2]=4 2271 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [0,2,0,0,0,0|0,0,2]=4 2272 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [0,2,0,0,0,0|0,0,2]=4 2273 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [0,2,0,0,0,0|0,0,2]=4 2274 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [0,2,0,0,0,0|0,0,2]=4 2275 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,2,0,0,0,0|0,0,2]=4 2276 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,2,0,0,0,0|0,0,2]=4 2277 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,2,0,0,0,0|0,0,2]=4 2278 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,2,0,0,0,0|0,0,2]=4 2279 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,2,0,0,0,0|0,0,2]=4 2280 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,2,0,0,0,0|0,0,2]=4 2281 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,2,0,0,0,0|0,0,2]=4 2282 B11R0.30 CC(=O)OCCOCCC(F)F 34a_100103093639_100009814007 [0,2,0,0,0,0|1,0,1]=4 2283 B11R0.30 CC(=O)OCCOCCN(C)C 2230a_100102631434_200000083610 [0,2,0,0,0,0|1,0,1]=4 2284 B11R0.30 CC(=O)OCCOCCN(C)C 269982a_100102631434_200000083610 [0,2,0,0,0,0|1,0,1]=4 2285 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,2,0,0,0,0|0,0,2]=4 2286 B11R0.30 CC(=O)OCCOCNC(C)C 34a_100138425928_100000076355 [0,2,0,0,0,0|1,0,1]=4 2287 B11R0.30 CC(=O)OCCOCOC(C)C 34a_100000212225_100000076355 [0,2,0,0,0,0|1,0,1]=4 2288 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000076355_100000210206 [0,2,0,0,0,0|1,0,1]=4 2289 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000210206_100000076355 [0,2,0,0,0,0|1,0,1]=4 2290 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [0,2,0,0,0,0|0,0,2]=4 2291 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [0,2,0,0,0,0|0,0,2]=4 2292 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,2,0,0,0,0|0,0,2]=4 2293 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,2,0,0,0,0|0,0,2]=4 2294 B11R0.30 CC(=O)OCCSCCN(C)C 62a_100009814007_100000755713 [0,2,0,0,0,0|1,0,1]=4 2295 B11R0.30 CC(=O)OCCSCOC(C)C 62a_100000709892_100009814007 [0,2,0,0,0,0|1,0,1]=4 2296 B11R0.30 CC(=O)OCCSCOC(C)C 62a_100009814007_100000709892 [0,2,0,0,0,0|1,0,1]=4 2297 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [0,2,0,0,0,0|0,0,2]=4 2298 B11R0.30 CC(=O)OCNCCOC(C)C 34a_100000701111_100009813279 [0,2,0,0,0,0|1,0,1]=4 2299 B11R0.30 CC(=O)OCNCCSC(C)C 34a_100000731138_100009813279 [0,2,0,0,0,0|1,0,1]=4 2300 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,2,0,0,0,0|0,0,2]=4 2301 B11R0.30 CC(=O)OCOCCNC(C)C 34a_100000224655_100009813279 [0,2,0,0,0,0|1,0,1]=4 2302 B11R0.30 CC(=O)OCOCCOC(C)C 34a_100000211219_100009813279 [0,2,0,0,0,0|1,0,1]=4 2303 B11R0.30 CC(=O)OCOCCSC(C)C 34a_200011212901_100009813279 [0,2,0,0,0,0|1,0,1]=4 2304 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [0,2,0,0,0,0|0,0,2]=4 2305 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [0,2,0,0,0,0|0,0,2]=4 2306 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,2,0,0,0,0|0,0,2]=4 2307 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,2,0,0,0,0|0,0,2]=4 2308 B11R0.30 CC(=O)OCSCCCN(C)C 62a_100000076356_100000757444 [0,2,0,0,0,0|1,0,1]=4 2309 B11R0.30 CC(=O)OCSCCOC(C)C 62a_100000076356_100000211751 [0,2,0,0,0,0|1,0,1]=4 2310 B11R0.30 CC(=O)OCSCCOC(C)C 62a_100000211751_100000076356 [0,2,0,0,0,0|1,0,1]=4 2311 B11R0.30 CC(=O)OCSCCSC(C)C 62a_100000076356_100000730970 [0,2,0,0,0,0|1,0,1]=4 2312 B11R0.30 CC(=O)OCSCCSC(C)C 62a_100000730970_100000076356 [0,2,0,0,0,0|1,0,1]=4 2313 B11R0.40 C#CC(C)OC/C=C/CCCC 34a_200016272032_200000035995 [0,2,0,0,0,0|1,0,1]=4 2314 B11R0.40 C/C=C/C=C/COCC(=O)NC 34a_100016283227_100000183359 [0,2,0,0,0,0|0,0,2]=4 2315 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [0,2,0,0,0,0|0,0,2]=4 2316 B11R0.40 C=C(C#N)COC/C=C/CCC 34a_100016278788_100000694840 [0,2,0,0,0,0|1,0,1]=4 2317 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,2,0,0,0,0|0,0,2]=4 2318 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,2,0,0,0,0|0,0,2]=4 2319 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,2,0,0,0,0|0,0,2]=4 2320 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,2,0,0,0,0|0,0,2]=4 2321 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,2,0,0,0,0|0,0,2]=4 2322 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,2,0,0,0,0|0,0,2]=4 2323 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,2,0,0,0,0|0,0,2]=4 2324 B11R0.40 CC/C=C\CSCOC(=O)OC 62a_100103147603_100000139417 [0,2,0,0,0,0|0,0,2]=4 2325 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,2,0,0,0,0|1,0,1]=4 2326 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,2,0,0,0,0|1,0,1]=4 2327 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,2,0,0,0,0|1,0,1]=4 2328 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,2,0,0,0,0|1,0,1]=4 2329 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,2,0,0,0,0|0,0,0]=2 2330 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,2,0,0,0,0|0,0,0]=2 2331 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,2,0,0,0,0|0,0,0]=2 2332 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,2,0,0,0,0|0,0,0]=2 2333 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,2,0,0,0,0|0,0,0]=2 2334 B11R0.40 CCC/C=C/COCC(C)CC 34a_100016278788_100000748023 [0,2,0,0,0,0|1,0,1]=4 2335 B11R0.40 CCC/C=C/COCC(C)CC 7a_100016278788_100000748023 [0,2,0,0,0,0|1,0,1]=4 2336 B11R0.40 CCC/C=C/COCC(O)CC 34a_100016278788_100011218378 [0,2,0,0,0,0|0,0,2]=4 2337 B11R0.40 CCC/C=C/COCC(O)CC 7a_100016278788_100011218378 [0,2,0,0,0,0|0,0,2]=4 2338 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,2,0,0,0,0|0,0,2]=4 2339 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,2,0,0,0,0|0,0,2]=4 2340 B11R0.40 CCC/C=C/COC[C@@H](C)CC 34a_100016278788_100009816398 [0,2,0,0,0,0|1,0,1]=4 2341 B11R0.40 CCC/C=C/COC[C@@H](C)CC 7a_100016278788_100009816398 [0,2,0,0,0,0|1,0,1]=4 2342 B11R0.40 CCC/C=C/COC[C@@H](C)CO 34a_100016278788_100000059175 [0,2,0,0,0,0|0,0,2]=4 2343 B11R0.40 CCC/C=C/COC[C@@H](C)CO 7a_100016278788_100000059175 [0,2,0,0,0,0|0,0,2]=4 2344 B11R0.40 CCC/C=C/COC[C@@H](O)CF 34a_100016278788_100015614560 [0,2,0,0,0,0|0,0,2]=4 2345 B11R0.40 CCC/C=C/COC[C@@H](O)CF 7a_100016278788_100015614560 [0,2,0,0,0,0|0,0,2]=4 2346 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,2,0,0,0,0|0,0,2]=4 2347 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,2,0,0,0,0|0,0,2]=4 2348 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [0,2,0,0,0,0|0,0,2]=4 2349 B11R0.40 CCCC#CCOCC(=O)NC 34a_100000034806_100000183359 [0,2,0,0,0,0|0,0,2]=4 2350 B11R0.40 CCCC#CCOCC(=O)NC 7a_100000034806_100000183359 [0,2,0,0,0,0|0,0,2]=4 2351 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,2,0,0,0,0|0,0,2]=4 2352 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,2,0,0,0,0|0,0,2]=4 2353 B11R0.40 CCCC/C=C/COC(C)C#N 7a_200016272032_100000703298 [0,2,0,0,0,0|1,0,1]=4 2354 B11R0.40 CCCC/C=C/COC(C)CC 34a_200016272032_100011215416 [0,2,0,0,0,0|1,0,1]=4 2355 B11R0.40 CCCC/C=C/COC(C)CC 7a_200016272032_100000758301 [0,2,0,0,0,0|1,0,1]=4 2356 B11R0.40 CCCC/C=C/COC(C)CO 34a_200016272032_100012180447 [0,2,0,0,0,0|0,0,2]=4 2357 B11R0.40 CCCC/C=C/COC(C)CO 7a_200016272032_100012180447 [0,2,0,0,0,0|0,0,2]=4 2358 B11R0.40 CCCC=CC=NNC(=O)CC 4a_100000183195_100016266791 [0,2,0,0,0,0|1,0,1]=4 2359 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|0,0,2]=4 2360 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|0,0,2]=4 2361 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|0,0,2]=4 2362 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|0,0,2]=4 2363 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|0,0,2]=4 2364 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 2365 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 2366 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,2,0,0,0,0|0,0,2]=4 2367 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,2,0,0,0,0|0,0,2]=4 2368 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,2,0,0,0,0|0,0,2]=4 2369 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,2,0,0,0,0|0,0,2]=4 2370 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,2,0,0,0,0|0,0,2]=4 2371 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,2,0,0,0,0|0,0,2]=4 2372 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,2,0,0,0,0|1,0,1]=4 2373 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,2,0,0,0,0|1,0,1]=4 2374 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,2,0,0,0,0|0,0,2]=4 2375 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,2,0,0,0,0|0,0,2]=4 2376 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [0,2,0,0,0,0|2,0,0]=4 2377 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,2,0,0,0,0|1,0,1]=4 2378 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,2,0,0,0,0|1,0,1]=4 2379 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,2,0,0,0,0|1,0,1]=4 2380 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,2,0,0,0,0|1,0,1]=4 2381 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,2,0,0,0,0|1,0,1]=4 2382 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,2,0,0,0,0|1,0,1]=4 2383 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 2384 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 2385 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,2,0,0,0,0|1,0,1]=4 2386 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,2,0,0,0,0|1,0,1]=4 2387 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,2,0,0,0,0|1,0,1]=4 2388 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,2,0,0,0,0|1,0,1]=4 2389 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,2,0,0,0,0|1,0,1]=4 2390 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,2,0,0,0,0|1,0,1]=4 2391 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,2,0,0,0,0|1,0,1]=4 2392 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,2,0,0,0,0|1,0,1]=4 2393 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,2,0,0,0,0|1,0,1]=4 2394 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,2,0,0,0,0|1,0,1]=4 2395 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,2,0,0,0,0|1,0,1]=4 2396 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,2,0,0,0,0|1,0,1]=4 2397 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,2,0,0,0,0|1,0,1]=4 2398 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,2,0,0,0,0|1,0,1]=4 2399 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,2,0,0,0,0|1,0,1]=4 2400 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,2,0,0,0,0|1,0,1]=4 2401 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,2,0,0,0,0|1,0,1]=4 2402 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,2,0,0,0,0|1,0,1]=4 2403 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,2,0,0,0,0|1,0,1]=4 2404 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,2,0,0,0,0|1,0,1]=4 2405 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,2,0,0,0,0|1,0,1]=4 2406 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,2,0,0,0,0|1,0,1]=4 2407 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,2,0,0,0,0|1,0,1]=4 2408 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,2,0,0,0,0|1,0,1]=4 2409 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,2,0,0,0,0|1,0,1]=4 2410 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,2,0,0,0,0|1,0,1]=4 2411 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,2,0,0,0,0|1,0,1]=4 2412 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,2,0,0,0,0|1,0,1]=4 2413 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,2,0,0,0,0|1,0,1]=4 2414 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,2,0,0,0,0|1,0,1]=4 2415 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,2,0,0,0,0|1,0,1]=4 2416 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,2,0,0,0,0|1,0,1]=4 2417 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,2,0,0,0,0|1,0,1]=4 2418 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,2,0,0,0,0|1,0,1]=4 2419 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,2,0,0,0,0|1,0,1]=4 2420 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,2,0,0,0,0|1,0,1]=4 2421 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,2,0,0,0,0|1,0,1]=4 2422 B11R0.42 CC/C=C\CCOC(C)C(=O)C 34a_100000212229_100015370543 [0,2,0,0,0,0|0,0,2]=4 2423 B11R0.42 CC/C=C\CCOC(C)C(=O)C 7a_100016288707_100000179758 [0,2,0,0,0,0|0,0,2]=4 2424 B11R0.42 CCC/C=C/C=CC(=O)C(C)C 1458a_200016258893_100000210206 [0,2,0,0,0,0|1,0,1]=4 2425 B11R0.42 CCC/C=C/C=CC(=O)N(C)C 11a_100102631434_200016258893 [0,2,0,0,0,0|1,0,1]=4 2426 B11R0.42 CCC/C=C/C=CC(=O)N(C)C 1626a_100102631434_200016258893 [0,2,0,0,0,0|1,0,1]=4 2427 B11R0.42 CCC/C=C/C=CC(=O)N(C)C 240690a_100102631434_200016258893 [0,2,0,0,0,0|1,0,1]=4 2428 B11R0.42 CCC/C=C/COC(C)C(=O)C 7a_100016278788_100000179758 [0,2,0,0,0,0|0,0,0]=2 2429 B11R0.42 CCC/C=C/COC(C)C(=O)N 34a_100016278788_100000702099 [0,2,0,0,0,0|0,0,1]=3 2430 B11R0.42 CCC/C=C/COC(C)C(=O)N 7a_100016278788_100000702099 [0,2,0,0,0,0|0,0,1]=3 2431 B11R0.42 CCC/C=C/COC(F)C(=O)N 34a_100016278788_100009813875 [0,2,0,0,0,0|1,0,0]=3 2432 B11R0.42 CCC/C=C/COC(F)C(=O)N 7a_100016278788_100009813875 [0,2,0,0,0,0|1,0,0]=3 2433 B11R0.42 CCC/C=C/COC(F)C(=O)[O-] 34a_100016278788_100020610796 [0,2,0,0,0,0|1,0,0]=3 2434 B11R0.42 CCCC#CCOC(C)C(=O)C 7a_100000034806_100000179758 [0,2,0,0,0,0|0,0,2]=4 2435 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,2,0,0,0,0|0,0,2]=4 2436 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,2,0,0,0,0|0,0,2]=4 2437 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,2,0,0,0,0|1,0,1]=4 2438 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000139345_100000210210 [0,2,0,0,0,0|1,0,1]=4 2439 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000210211_100000139345 [0,2,0,0,0,0|1,0,1]=4 2440 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,2,0,0,0,0|1,0,1]=4 2441 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,2,0,0,0,0|1,0,1]=4 2442 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,2,0,0,0,0|1,0,1]=4 2443 B11R0.46 C#CCCCC(=O)COC(=O)C 1458a_100000183556_100000731252 [0,2,0,0,0,0|0,0,2]=4 2444 B11R0.46 C#CCCNC(=O)COC(=O)C 1626a_100000755551_100000183556 [0,2,0,0,0,0|1,0,1]=4 2445 B11R0.46 C#CCCNC(=O)COC(=O)C 240690a_100000755551_100000183556 [0,2,0,0,0,0|1,0,1]=4 2446 B11R0.46 C#CCCNC(=O)COC(=O)C 527a_100000755551_100000183556 [0,2,0,0,0,0|1,0,1]=4 2447 B11R0.46 C=C(C)CCC(=O)C=CCCC 1458a_100000212230_100000730704 [0,2,0,0,0,0|2,0,0]=4 2448 B11R0.46 C=CCCCC(=O)COC(=O)C 1458a_100000183556_100000757094 [0,2,0,0,0,0|0,0,2]=4 2449 B11R0.46 C=CCCNC(=O)COC(=O)C 1626a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 2450 B11R0.46 C=CCCNC(=O)COC(=O)C 240690a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 2451 B11R0.46 C=CCCNC(=O)COC(=O)C 527a_100015191253_100000183556 [0,2,0,0,0,0|1,0,1]=4 2452 B11R0.46 CC#CCNC(=O)COC(=O)C 1626a_100000685387_100000183556 [0,2,0,0,0,0|1,0,1]=4 2453 B11R0.46 CC#CCNC(=O)COC(=O)C 527a_100000685387_100000183556 [0,2,0,0,0,0|1,0,1]=4 2454 B11R0.46 CC(=O)NCC(=O)CCCCF 1458a_100000194580_100000729493 [0,2,0,0,0,0|1,0,1]=4 2455 B11R0.46 CC(=O)NCC(=O)CCCCO 1458a_100000194580_100000210776 [0,2,0,0,0,0|1,0,1]=4 2456 B11R0.46 CC(=O)NCC(=O)NCCCF 11a_100015189416_100000194580 [0,2,0,0,0,0|2,0,0]=4 2457 B11R0.46 CC(=O)NCC(=O)NCCCF 1626a_100015189416_100000194580 [0,2,0,0,0,0|2,0,0]=4 2458 B11R0.46 CC(=O)NCC(=O)NCCCF 240690a_100015189416_100000194580 [0,2,0,0,0,0|2,0,0]=4 2459 B11R0.46 CC(=O)NCC(=O)NCCCF 527a_100015189416_100000194580 [0,2,0,0,0,0|2,0,0]=4 2460 B11R0.46 CC(=O)NCC(=O)NCCCO 240690a_100000182051_100000194580 [0,2,0,0,0,0|2,0,0]=4 2461 B11R0.46 CC(=O)NCC(=O)NCCCO 527a_100000182051_100000194580 [0,2,0,0,0,0|2,0,0]=4 2462 B11R0.46 CC(=O)OCC(=NNCCO)C 4a_100000210001_100000000629 [0,2,0,0,0,0|2,0,0]=4 2463 B11R0.46 CC(=O)OCC(=O)CCCC#N 1458a_100000183556_100000211468 [0,2,0,0,0,0|0,0,2]=4 2464 B11R0.46 CC(=O)OCC(=O)CCCCF 1458a_100000183556_100000729493 [0,2,0,0,0,0|0,0,1]=3 2465 B11R0.46 CC(=O)OCC(=O)CCCCO 1458a_100000183556_100000210776 [0,2,0,0,0,0|0,0,1]=3 2466 B11R0.46 CC(=O)OCC(=O)CNCCF 34a_100000724931_100000036994 [0,2,0,0,0,0|1,0,1]=4 2467 B11R0.46 CC(=O)OCC(=O)CNCCO 34a_100016990907_100000036994 [0,2,0,0,0,0|1,0,1]=4 2468 B11R0.46 CC(=O)OCC(=O)COCCBr 34a_100000211926_100000036994 [0,2,0,0,0,0|1,0,1]=4 2469 B11R0.46 CC(=O)OCC(=O)COCCN 34a_100000210304_100000036994 [0,2,0,0,0,0|1,0,1]=4 2470 B11R0.46 CC(=O)OCC(=O)CSCCF 62a_100000036994_100011217306 [0,2,0,0,0,0|1,0,1]=4 2471 B11R0.46 CC(=O)OCC(=O)CSCCF 62a_100011217306_100000036994 [0,2,0,0,0,0|1,0,1]=4 2472 B11R0.46 CC(=O)OCC(=O)CSCCO 62a_100000036994_100000211926 [0,2,0,0,0,0|1,0,1]=4 2473 B11R0.46 CC(=O)OCC(=O)CSCCO 62a_100000211926_100000036994 [0,2,0,0,0,0|1,0,1]=4 2474 B11R0.46 CC(=O)OCC(=O)NCCC#N 1626a_100000720768_100000183556 [0,2,0,0,0,0|1,0,1]=4 2475 B11R0.46 CC(=O)OCC(=O)NCCC#N 240690a_100000720768_100000183556 [0,2,0,0,0,0|1,0,1]=4 2476 B11R0.46 CC(=O)OCC(=O)NCCC#N 527a_100000720768_100000183556 [0,2,0,0,0,0|1,0,1]=4 2477 B11R0.46 CC(=O)OCC(=O)NCCCF 1626a_100015189416_100000183556 [0,2,0,0,0,0|1,0,0]=3 2478 B11R0.46 CC(=O)OCC(=O)NCCCF 240690a_100015189416_100000183556 [0,2,0,0,0,0|1,0,0]=3 2479 B11R0.46 CC(=O)OCC(=O)NCCCF 527a_100015189416_100000183556 [0,2,0,0,0,0|1,0,0]=3 2480 B11R0.46 CC(=O)OCC(=O)NCCCO 240690a_100000182051_100000183556 [0,2,0,0,0,0|1,0,0]=3 2481 B11R0.46 CC(=O)OCC(=O)NCCCO 527a_100000182051_100000183556 [0,2,0,0,0,0|1,0,0]=3 2482 B11R0.46 CC(=O)OCC(=O)NNCCO 22a_100000210001_100000183556 [0,2,0,0,0,0|2,0,0]=4 2483 B11R0.46 CC(=O)OCC(C)NCCCF 270004a_100015189416_100000000629 [0,2,0,0,0,0|1,0,1]=4 2484 B11R0.46 CC(=O)OCC(C)NCCCO 270004a_100000182051_100000000629 [0,2,0,0,0,0|1,0,1]=4 2485 B11R0.46 CC(=O)OCN(C)CCCCO 269982a_100000717598_100000076356 [0,2,0,0,0,0|1,0,1]=4 2486 B11R0.46 CC(=O)SCC(=O)CCCCF 1458a_100000049016_100000729493 [0,2,0,0,0,0|0,1,1]=4 2487 B11R0.46 CC(=O)SCC(=O)CCCCO 1458a_100000049016_100000210776 [0,2,0,0,0,0|0,1,1]=4 2488 B11R0.46 CC(=O)SCC(=O)NCCCF 11a_100015189416_100000049016 [0,2,0,0,0,0|1,1,0]=4 2489 B11R0.46 CC(=O)SCC(=O)NCCCF 1626a_100015189416_100000049016 [0,2,0,0,0,0|1,1,0]=4 2490 B11R0.46 CC(=O)SCC(=O)NCCCF 240690a_100015189416_100000049016 [0,2,0,0,0,0|1,1,0]=4 2491 B11R0.46 CC(=O)SCC(=O)NCCCO 240690a_100000182051_100000049016 [0,2,0,0,0,0|1,1,0]=4 2492 B11R0.46 CC/C=C\CC(=O)CNC(=O)C 1458a_100000194580_100103147603 [0,2,0,0,0,0|1,0,1]=4 2493 B11R0.46 CC/C=C\CC(=O)COC(=O)C 1458a_100000183556_100103147603 [0,2,0,0,0,0|0,0,1]=3 2494 B11R0.46 CC/C=C\CC(=O)CSC(=O)C 1458a_100000049016_100103147603 [0,2,0,0,0,0|0,1,1]=4 2495 B11R0.46 CCC#CCC(=O)COC(=O)C 1458a_100000183556_100009813939 [0,2,0,0,0,0|0,0,2]=4 2496 B11R0.46 CCCC=CC(=NNC(=O)C)C 4a_100000189765_100016262776 [0,2,0,0,0,0|1,0,1]=4 2497 B11R0.46 CCCC=CC(=O)CC=C(C)C 1458a_100000212230_100000761012 [0,2,0,0,0,0|2,0,0]=4 2498 B11R0.46 CCCC=CC(=O)NNC(=O)C 22a_100000189765_100000212230 [0,2,0,0,0,0|1,0,1]=4 2499 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,2,0,0,0,0|1,0,1]=4 2500 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,2,0,0,0,0|0,0,1]=3 2501 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,2,0,0,0,0|0,1,1]=4 2502 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,2,0,0,0,0|0,0,2]=4 2503 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,2,0,0,0,0|0,0,2]=4 2504 B11R0.46 CCCCNC(=O)CNC(=O)C 11a_100000102301_100000194580 [0,2,0,0,0,0|1,0,1]=4 2505 B11R0.46 CCCCNC(=O)CNC(=O)C 1626a_100000102301_100000194580 [0,2,0,0,0,0|1,0,1]=4 2506 B11R0.46 CCCCNC(=O)CNC(=O)C 240690a_100000102301_100000194580 [0,2,0,0,0,0|1,0,1]=4 2507 B11R0.46 CCCCNC(=O)CNC(=O)C 527a_100000102301_100000194580 [0,2,0,0,0,0|1,0,1]=4 2508 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [0,2,0,0,0,0|0,0,1]=3 2509 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [0,2,0,0,0,0|0,0,1]=3 2510 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [0,2,0,0,0,0|0,0,1]=3 2511 B11R0.46 CCCCNC(=O)CSC(=O)C 11a_100000102301_100000049016 [0,2,0,0,0,0|0,1,1]=4 2512 B11R0.46 CCCCNC(=O)CSC(=O)C 1626a_100000102301_100000049016 [0,2,0,0,0,0|0,1,1]=4 2513 B11R0.46 CCCCNC(=O)CSC(=O)C 240690a_100000102301_100000049016 [0,2,0,0,0,0|0,1,1]=4 2514 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,2,0,0,0,0|0,0,2]=4 2515 B11R0.46 CCCNN=C(C)COC(=O)C 4a_100000740057_100000000629 [0,2,0,0,0,0|1,0,0]=3 2516 B11R0.46 CCCNNC(=O)CNC(=O)C 22a_100000740057_100000194580 [0,2,0,0,0,0|2,0,0]=4 2517 B11R0.46 CCCNNC(=O)COC(=O)C 22a_100000740057_100000183556 [0,2,0,0,0,0|1,0,0]=3 2518 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [0,2,0,0,0,0|0,0,1]=3 2519 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,2,0,0,0,0|0,0,2]=4 2520 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [0,2,0,0,0,0|0,0,1]=3 2521 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [0,2,0,0,0,0|0,0,1]=3 2522 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,2,0,0,0,0|0,0,2]=4 2523 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,2,0,0,0,0|0,0,2]=4 2524 B11R0.46 CCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215890 [0,2,0,0,0,0|1,0,1]=4 2525 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [0,2,0,0,0,0|0,0,1]=3 2526 B11R0.46 CCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215890 [0,2,0,0,0,0|0,1,1]=4 2527 B11R0.46 CCSCCC(=O)CNC(=O)C 1458a_100000194580_100000757381 [0,2,0,0,0,0|1,0,1]=4 2528 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [0,2,0,0,0,0|0,0,1]=3 2529 B11R0.46 CCSCCC(=O)CSC(=O)C 1458a_100000049016_100000757381 [0,2,0,0,0,0|0,1,1]=4 2530 B11R0.46 COCCCC(=O)CNC(=O)C 1458a_100000194580_100000740836 [0,2,0,0,0,0|1,0,1]=4 2531 B11R0.46 COCCCC(=O)COC(=O)C 1458a_100000183556_100000740836 [0,2,0,0,0,0|0,0,1]=3 2532 B11R0.46 COCCCC(=O)CSC(=O)C 1458a_100000049016_100000740836 [0,2,0,0,0,0|0,1,1]=4 2533 B11R0.46 COCCCN(C)COC(=O)C 269982a_100000224831_100000076356 [0,2,0,0,0,0|1,0,1]=4 2534 B11R0.46 COCCNC(=O)CNC(=O)C 1626a_100000209980_100000194580 [0,2,0,0,0,0|2,0,0]=4 2535 B11R0.46 COCCNC(=O)CNC(=O)C 1626a_100000754632_100015343762 [0,2,0,0,0,0|2,0,0]=4 2536 B11R0.46 COCCNC(=O)CNC(=O)C 240690a_100000209980_100000194580 [0,2,0,0,0,0|2,0,0]=4 2537 B11R0.46 COCCNC(=O)CNC(=O)C 240690a_100000754632_100015343762 [0,2,0,0,0,0|2,0,0]=4 2538 B11R0.46 COCCNC(=O)CNC(=O)C 527a_100000209980_100000194580 [0,2,0,0,0,0|2,0,0]=4 2539 B11R0.46 COCCNC(=O)CNC(=O)C 527a_100000754632_100103153847 [0,2,0,0,0,0|2,0,0]=4 2540 B11R0.46 COCCNC(=O)COC(=O)C 1626a_100000209980_100000183556 [0,2,0,0,0,0|1,0,0]=3 2541 B11R0.46 COCCNC(=O)COC(=O)C 240690a_100000209980_100000183556 [0,2,0,0,0,0|1,0,0]=3 2542 B11R0.46 COCCNC(=O)COC(=O)C 527a_100000209980_100000183556 [0,2,0,0,0,0|1,0,0]=3 2543 B11R0.46 COCCNC(=O)CSC(=O)C 1626a_100000209980_100000049016 [0,2,0,0,0,0|1,1,0]=4 2544 B11R0.46 COCCNC(=O)CSC(=O)C 240690a_100000209980_100000049016 [0,2,0,0,0,0|1,1,0]=4 2545 B11R0.46 COCCNC(C)COC(=O)C 270004a_100000209980_100000000629 [0,2,0,0,0,0|1,0,1]=4 2546 B11R0.46 COCSCC(=O)COC(=O)C 62a_100000036994_100000766300 [0,2,0,0,0,0|1,0,1]=4 2547 B11R0.46 COCSCC(=O)COC(=O)C 62a_100000766300_100000036994 [0,2,0,0,0,0|1,0,1]=4 2548 B11R0.46 CSCCNC(=O)CNC(=O)C 11a_100020590264_100000194580 [0,2,0,0,0,0|2,0,0]=4 2549 B11R0.46 CSCCNC(=O)CNC(=O)C 1626a_100020590264_100000194580 [0,2,0,0,0,0|2,0,0]=4 2550 B11R0.46 CSCCNC(=O)CNC(=O)C 240690a_100020590264_100000194580 [0,2,0,0,0,0|2,0,0]=4 2551 B11R0.46 CSCCNC(=O)CNC(=O)C 527a_100020590264_100000194580 [0,2,0,0,0,0|2,0,0]=4 2552 B11R0.46 CSCCNC(=O)COC(=O)C 1626a_100020590264_100000183556 [0,2,0,0,0,0|1,0,0]=3 2553 B11R0.46 CSCCNC(=O)COC(=O)C 240690a_100020590264_100000183556 [0,2,0,0,0,0|1,0,0]=3 2554 B11R0.46 CSCCNC(=O)COC(=O)C 527a_100020590264_100000183556 [0,2,0,0,0,0|1,0,0]=3 2555 B11R0.46 CSCCNC(=O)CSC(=O)C 11a_100020590264_100000049016 [0,2,0,0,0,0|1,1,0]=4 2556 B11R0.46 CSCCNC(=O)CSC(=O)C 1626a_100020590264_100000049016 [0,2,0,0,0,0|1,1,0]=4 2557 B11R0.46 CSCCNC(=O)CSC(=O)C 240690a_100020590264_100000049016 [0,2,0,0,0,0|1,1,0]=4 2558 B11R0.46 CSCCNC(C)COC(=O)C 270004a_100020590264_100000000629 [0,2,0,0,0,0|1,0,1]=4 2559 B11R0.46 CSCSCC(=O)COC(=O)C 62a_100000036994_100011218213 [0,2,0,0,0,0|1,0,1]=4 2560 B11R0.46 CSCSCC(=O)COC(=O)C 62a_100011218213_100000036994 [0,2,0,0,0,0|1,0,1]=4 2561 B11R0.111 C=CC(C)COCCOC(=O)C 34a_100011215527_100009814007 [0,2,0,0,0,0|1,0,1]=4 2562 B11R0.111 C=CC(C)COCCOC(=O)C 7a_100011215527_100009814007 [0,2,0,0,0,0|1,0,1]=4 2563 B11R0.111 CC(=O)OCCNCC(C)CO 34a_100000744482_100009814007 [0,2,0,0,0,0|1,0,1]=4 2564 B11R0.111 CC(=O)OCCNC[C@@H](F)CO 34a_100015665980_100009814007 [0,2,0,0,0,0|1,0,1]=4 2565 B11R0.111 CC(=O)OCCOCC(C)CN 34a_100000744482_100009814007 [0,2,0,0,0,0|1,0,1]=4 2566 B11R0.111 CC(=O)OCCOCC(Cl)CCl 34a_100000033668_100009814007 [0,2,0,0,0,0|1,0,1]=4 2567 B11R0.111 CC(=O)OCCOC[C@H](F)CN 34a_100015665980_100009814007 [0,2,0,0,0,0|1,0,1]=4 2568 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100009814007_100011219619 [0,2,0,0,0,0|1,0,1]=4 2569 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100011219619_100009814007 [0,2,0,0,0,0|1,0,1]=4 2570 B11R0.111 CC(=O)OCCSC[C@@H](C)CO 62a_100000059175_100009814007 [0,2,0,0,0,0|1,0,1]=4 2571 B11R0.111 CC(=O)OCCSC[C@@H](C)CO 62a_100009814007_100000059175 [0,2,0,0,0,0|1,0,1]=4 2572 B11R0.111 CC(=O)OCCSC[C@@H](O)CF 62a_100009814007_100015614560 [0,2,0,0,0,0|1,0,1]=4 2573 B11R0.111 CC(=O)OCCSC[C@@H](O)CF 62a_100015614560_100009814007 [0,2,0,0,0,0|1,0,1]=4 2574 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009814007_100009815848 [0,2,0,0,0,0|1,0,1]=4 2575 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009815848_100009814007 [0,2,0,0,0,0|1,0,1]=4 2576 B11R0.111 CC(=O)OCNCCC(C)CO 34a_106354213184_100009813279 [0,2,0,0,0,0|1,0,1]=4 2577 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,2,0,0,0,0|0,0,2]=4 2578 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [0,2,0,0,0,0|1,0,1]=4 2579 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [0,2,0,0,0,0|1,0,1]=4 2580 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [0,2,0,0,0,0|1,0,1]=4 2581 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [0,2,0,0,0,0|1,0,1]=4 2582 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,2,0,0,0,0|1,0,1]=4 2583 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,2,0,0,0,0|1,0,1]=4 2584 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [0,2,0,0,0,0|0,0,2]=4 2585 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [0,2,0,0,0,0|0,0,2]=4 2586 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [0,2,0,0,0,0|0,0,2]=4 2587 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [0,2,0,0,0,0|0,0,2]=4 2588 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [0,2,0,0,0,0|0,0,2]=4 2589 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,2,0,0,0,0|0,0,2]=4 2590 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,2,0,0,0,0|0,0,2]=4 2591 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,2,0,0,0,0|0,0,2]=4 2592 B11R0.111 CCN(C)COCCOC(=O)C 269982a_100000225621_100000076355 [0,2,0,0,0,0|1,0,1]=4 2593 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,2,0,0,0,0|0,0,2]=4 2594 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [0,2,0,0,0,0|0,0,2]=4 2595 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [0,2,0,0,0,0|0,0,2]=4 2596 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,2,0,0,0,0|1,0,1]=4 2597 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,2,0,0,0,0|1,0,1]=4 2598 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,2,0,0,0,0|1,0,1]=4 2599 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,2,0,0,0,0|1,0,1]=4 2600 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,2,0,0,0,0|1,0,1]=4 2601 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,2,0,0,0,0|1,0,1]=4 2602 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,2,0,0,0,0|1,0,1]=4 2603 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,2,0,0,0,0|1,0,1]=4 2604 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,2,0,0,0,0|1,0,1]=4 2605 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,2,0,0,0,0|1,0,1]=4 2606 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,2,0,0,0,0|1,0,1]=4 2607 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,2,0,0,0,0|1,0,1]=4 2608 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,2,0,0,0,0|1,0,1]=4 2609 B11R0.111 COC(=O)/C=C/COCC(=O)C 34a_100000211253_100000742655 [0,2,0,0,0,0|1,0,1]=4 2610 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,2,0,0,0,0|1,0,1]=4 2611 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,2,0,0,0,0|1,0,1]=4 2612 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,2,0,0,0,0|1,0,1]=4 2613 B11R0.111 COC(=O)OCSCCC(C)C 62a_100000210312_100000139417 [0,2,0,0,0,0|1,0,1]=4 2614 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,2,0,0,0,0|1,0,1]=4 2615 B11R0.111 COC(C)COCCOC(=O)C 34a_100000690652_100009814007 [0,2,0,0,0,0|1,0,1]=4 2616 B11R0.148 C#CCCCCNCOC(=O)C 34a_100000706060_100009813279 [0,2,0,0,0,0|1,0,1]=4 2617 B11R0.148 C#CCCCCOCOC(=O)C 34a_100000766709_100009813279 [0,2,0,0,0,0|1,0,1]=4 2618 B11R0.148 C#CCCCCSCOC(=O)C 62a_100000076356_100010269958 [0,2,0,0,0,0|1,0,1]=4 2619 B11R0.148 C#CCCCCSCOC(=O)C 62a_100010269958_100000076356 [0,2,0,0,0,0|1,0,1]=4 2620 B11R0.148 C#CCCCNCCOC(=O)C 34a_100000718082_100009814007 [0,2,0,0,0,0|1,0,1]=4 2621 B11R0.148 C#CCCCOCCOC(=O)C 34a_100000215630_100009814007 [0,2,0,0,0,0|1,0,1]=4 2622 B11R0.148 C#CCCCOCCOC(=O)C 7a_100000215630_100009814007 [0,2,0,0,0,0|1,0,1]=4 2623 B11R0.148 C#CCCCSCCOC(=O)C 62a_100009814007_100011215417 [0,2,0,0,0,0|1,0,1]=4 2624 B11R0.148 C#CCCCSCCOC(=O)C 62a_100011215417_100009814007 [0,2,0,0,0,0|1,0,1]=4 2625 B11R0.148 C/C=C/C=C/COCOC(=O)C 34a_100016283227_100009813279 [0,2,0,0,0,0|0,0,2]=4 2626 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [0,2,0,0,0,0|1,0,1]=4 2627 B11R0.148 C=C(C)CCOC/C=C/CCC 34a_100016278788_100000730704 [0,2,0,0,0,0|1,0,0]=3 2628 B11R0.148 C=C(C)CCOC/C=C/CCC 7a_100016278788_100000730704 [0,2,0,0,0,0|1,0,0]=3 2629 B11R0.148 C=C(C)COC/C=C/CCCC 34a_200016272032_100000748629 [0,2,0,0,0,0|1,0,0]=3 2630 B11R0.148 C=C(C)COC/C=C/CCCC 7a_200016272032_100000748629 [0,2,0,0,0,0|1,0,0]=3 2631 B11R0.148 C=C(F)COC/C=C/CCCC 34a_200016272032_100009893438 [0,2,0,0,0,0|1,0,1]=4 2632 B11R0.148 C=C(F)COC/C=C/CCCC 7a_200016272032_100000042424 [0,2,0,0,0,0|1,0,1]=4 2633 B11R0.148 C=CCCC/C=C/COC(C)C 34a_200016268473_100000210206 [0,2,0,0,0,0|1,0,1]=4 2634 B11R0.148 C=CCCC/C=C/COC(C)C 7a_200016268473_100000210206 [0,2,0,0,0,0|1,0,1]=4 2635 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [0,2,0,0,0,0|1,0,1]=4 2636 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [0,2,0,0,0,0|1,0,1]=4 2637 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [0,2,0,0,0,0|1,0,1]=4 2638 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [0,2,0,0,0,0|1,0,1]=4 2639 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [0,2,0,0,0,0|1,0,1]=4 2640 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [0,2,0,0,0,0|1,0,1]=4 2641 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [0,2,0,0,0,0|1,0,1]=4 2642 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [0,2,0,0,0,0|1,0,1]=4 2643 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [0,2,0,0,0,0|1,0,1]=4 2644 B11R0.148 CC#CCCOCCOC(=O)C 34a_100000750427_100009814007 [0,2,0,0,0,0|1,0,1]=4 2645 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,2,0,0,0,0|0,0,2]=4 2646 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,2,0,0,0,0|0,0,2]=4 2647 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,2,0,0,0,0|0,0,2]=4 2648 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,2,0,0,0,0|0,0,2]=4 2649 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,2,0,0,0,0|0,0,2]=4 2650 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,2,0,0,0,0|0,0,2]=4 2651 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,2,0,0,0,0|0,0,2]=4 2652 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,2,0,0,0,0|0,0,2]=4 2653 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,2,0,0,0,0|0,0,2]=4 2654 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,2,0,0,0,0|0,0,2]=4 2655 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,2,0,0,0,0|0,0,2]=4 2656 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,2,0,0,0,0|0,0,2]=4 2657 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,2,0,0,0,0|0,0,2]=4 2658 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,2,0,0,0,0|0,0,2]=4 2659 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,2,0,0,0,0|0,0,2]=4 2660 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,2,0,0,0,0|0,0,2]=4 2661 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,2,0,0,0,0|0,0,2]=4 2662 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,2,0,0,0,0|0,0,2]=4 2663 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,2,0,0,0,0|0,0,2]=4 2664 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,2,0,0,0,0|0,0,2]=4 2665 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,2,0,0,0,0|0,0,2]=4 2666 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,2,0,0,0,0|0,0,2]=4 2667 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,2,0,0,0,0|0,0,2]=4 2668 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,2,0,0,0,0|0,0,2]=4 2669 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,2,0,0,0,0|0,0,2]=4 2670 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,2,0,0,0,0|0,0,2]=4 2671 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,2,0,0,0,0|0,0,2]=4 2672 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,2,0,0,0,0|0,0,2]=4 2673 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,2,0,0,0,0|0,0,2]=4 2674 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,2,0,0,0,0|0,0,2]=4 2675 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,2,0,0,0,0|0,0,2]=4 2676 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,2,0,0,0,0|0,0,2]=4 2677 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,2,0,0,0,0|0,0,2]=4 2678 B11R0.148 CC(=O)OCCOCCSCF 62a_100015361967_200000083610 [0,2,0,0,0,0|1,0,1]=4 2679 B11R0.148 CC(=O)OCCOCCSCF 62a_200000083610_100015361967 [0,2,0,0,0,0|1,0,1]=4 2680 B11R0.148 CC(=O)OCCOCNCCF 34a_100000724931_100000076355 [0,2,0,0,0,0|1,0,1]=4 2681 B11R0.148 CC(=O)OCCOCNCCO 34a_100016990907_100000076355 [0,2,0,0,0,0|1,0,1]=4 2682 B11R0.148 CC(=O)OCCOCOCCBr 34a_100000211926_100000076355 [0,2,0,0,0,0|1,0,1]=4 2683 B11R0.148 CC(=O)OCCOCOCCN 34a_100000210304_100000076355 [0,2,0,0,0,0|1,0,1]=4 2684 B11R0.148 CC(=O)OCCOCSCCF 62a_100000076355_100011217306 [0,2,0,0,0,0|1,0,1]=4 2685 B11R0.148 CC(=O)OCCOCSCCF 62a_100011217306_100000076355 [0,2,0,0,0,0|1,0,1]=4 2686 B11R0.148 CC(=O)OCCOCSCCO 62a_100000076355_100000211926 [0,2,0,0,0,0|1,0,1]=4 2687 B11R0.148 CC(=O)OCCOCSCCO 62a_100000211926_100000076355 [0,2,0,0,0,0|1,0,1]=4 2688 B11R0.148 CC(=O)OCCSCCCC#N 62a_100000687738_100009814007 [0,2,0,0,0,0|1,0,1]=4 2689 B11R0.148 CC(=O)OCCSCCCC#N 62a_100009814007_100000687738 [0,2,0,0,0,0|1,0,1]=4 2690 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,2,0,0,0,0|1,0,1]=4 2691 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,2,0,0,0,0|1,0,1]=4 2692 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,2,0,0,0,0|0,0,2]=4 2693 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,2,0,0,0,0|0,0,2]=4 2694 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,2,0,0,0,0|0,0,2]=4 2695 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,2,0,0,0,0|0,0,2]=4 2696 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,2,0,0,0,0|0,0,2]=4 2697 B11R0.148 CC(=O)OCNCCOCCO 34a_100000211614_100009813279 [0,2,0,0,0,0|1,0,1]=4 2698 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,2,0,0,0,0|0,0,2]=4 2699 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,2,0,0,0,0|0,0,2]=4 2700 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,2,0,0,0,0|0,0,2]=4 2701 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,2,0,0,0,0|0,0,2]=4 2702 B11R0.148 CC(=O)OCOCCOCCBr 34a_100000692535_100009813279 [0,2,0,0,0,0|1,0,1]=4 2703 B11R0.148 CC(=O)OCOCCOCCCl 34a_100011215305_100009813279 [0,2,0,0,0,0|1,0,1]=4 2704 B11R0.148 CC(=O)OCOCCOCCF 34a_200015357709_100009813279 [0,2,0,0,0,0|1,0,1]=4 2705 B11R0.148 CC(=O)OCOCCOCCI 34a_100012149058_100009813279 [0,2,0,0,0,0|1,0,1]=4 2706 B11R0.148 CC(=O)OCOCCOCCN 34a_100000211614_100009813279 [0,2,0,0,0,0|1,0,1]=4 2707 B11R0.148 CC(=O)OCSCCCCC#N 62a_100000076356_100000211819 [0,2,0,0,0,0|1,0,1]=4 2708 B11R0.148 CC(=O)OCSCCCCC#N 62a_100011219923_100000076356 [0,2,0,0,0,0|1,0,1]=4 2709 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [0,2,0,0,0,0|1,0,1]=4 2710 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [0,2,0,0,0,0|1,0,1]=4 2711 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,2,0,0,0,0|0,0,2]=4 2712 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,2,0,0,0,0|0,0,2]=4 2713 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,2,0,0,0,0|0,0,2]=4 2714 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,2,0,0,0,0|0,0,2]=4 2715 B11R0.148 CC(=O)OCSCCOCCO 62a_100000076356_100011215305 [0,2,0,0,0,0|1,0,1]=4 2716 B11R0.148 CC(=O)OCSCCOCCO 62a_100011215305_100000076356 [0,2,0,0,0,0|1,0,1]=4 2717 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 2718 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 2719 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|0,0,2]=4 2720 B11R0.148 CC/C=C\CCOCOC(=O)C 34a_100016288707_100009813279 [0,2,0,0,0,0|0,0,2]=4 2721 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100000076356_100015370543 [0,2,0,0,0,0|0,0,2]=4 2722 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100015370543_100000076356 [0,2,0,0,0,0|0,0,2]=4 2723 B11R0.148 CC/C=C\COCCOC(=O)C 34a_100016268518_100009814007 [0,2,0,0,0,0|0,0,2]=4 2724 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100009814007_100103147603 [0,2,0,0,0,0|0,0,2]=4 2725 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100103147603_100009814007 [0,2,0,0,0,0|0,0,2]=4 2726 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [0,2,0,0,0,0|1,0,1]=4 2727 B11R0.148 CCC#CCCOCOC(=O)C 34a_100000036655_100009813279 [0,2,0,0,0,0|1,0,1]=4 2728 B11R0.148 CCC#CCOCCOC(=O)C 34a_100000032950_100009814007 [0,2,0,0,0,0|1,0,1]=4 2729 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009813939_100009814007 [0,2,0,0,0,0|1,0,1]=4 2730 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009814007_100009813939 [0,2,0,0,0,0|1,0,1]=4 2731 B11R0.148 CCC/C=C/C=C/COC(C)C 34a_100016294078_100000210206 [0,2,0,0,0,0|1,0,1]=4 2732 B11R0.148 CCC/C=C/COCC=C(C)C 34a_100016278788_100000761012 [0,2,0,0,0,0|1,0,0]=3 2733 B11R0.148 CCC/C=C/COCC=C(C)C 7a_100016278788_100000761012 [0,2,0,0,0,0|1,0,0]=3 2734 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,2,0,0,0,0|0,0,0]=2 2735 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,2,0,0,0,0|1,0,0]=3 2736 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,2,0,0,0,0|1,0,0]=3 2737 B11R0.148 CCC/C=C/COCCC(C)C 34a_100016278788_100000210312 [0,2,0,0,0,0|1,0,1]=4 2738 B11R0.148 CCC/C=C/COCCC(C)C 7a_100016278788_100000210626 [0,2,0,0,0,0|1,0,1]=4 2739 B11R0.148 CCC/C=C/COCCC(C)O 34a_100016278788_100012276601 [0,2,0,0,0,0|0,0,2]=4 2740 B11R0.148 CCC/C=C/COCCC(C)O 7a_100016278788_100012276601 [0,2,0,0,0,0|0,0,2]=4 2741 B11R0.148 CCC/C=C/COCCN(C)C 7a_100016278788_100000755713 [0,2,0,0,0,0|2,0,0]=4 2742 B11R0.148 CCC/C=C/COCOC(=O)C 34a_100016278788_100009813279 [0,2,0,0,0,0|0,0,0]=2 2743 B11R0.148 CCC/C=C/COCOC(C)C 34a_100016278788_100000709892 [0,2,0,0,0,0|1,0,1]=4 2744 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,2,0,0,0,0|0,0,2]=4 2745 B11R0.148 CCCC#CCOCOC(=O)C 34a_100000034806_100009813279 [0,2,0,0,0,0|0,0,2]=4 2746 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,2,0,0,0,0|1,0,0]=3 2747 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,2,0,0,0,0|1,0,0]=3 2748 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,2,0,0,0,0|1,0,0]=3 2749 B11R0.148 CCCC/C=C/COCC(C)C 34a_200016272032_100000210624 [0,2,0,0,0,0|1,0,1]=4 2750 B11R0.148 CCCC/C=C/COCC(C)C 7a_200016272032_100000210760 [0,2,0,0,0,0|1,0,1]=4 2751 B11R0.148 CCCC/C=C/COCC(C)O 34a_200016272032_100011218427 [0,2,0,0,0,0|0,0,2]=4 2752 B11R0.148 CCCC/C=C/COCC(C)O 7a_200016272032_100011218427 [0,2,0,0,0,0|0,0,2]=4 2753 B11R0.148 CCCC/C=C/COC[C@@H](C)O 34a_200016272032_100009817552 [0,2,0,0,0,0|0,0,2]=4 2754 B11R0.148 CCCC/C=C/COC[C@@H](C)O 7a_200016272032_100009817552 [0,2,0,0,0,0|0,0,2]=4 2755 B11R0.148 CCCC/C=C/COC[N+](=O)[O-] 34a_200016272032_100000761209 [0,2,0,0,0,0|2,0,0]=4 2756 B11R0.148 CCCC/C=C\CCOC(C)C 34a_200016286491_100000210206 [0,2,0,0,0,0|1,0,1]=4 2757 B11R0.148 CCCC/C=C\CCOC(C)C 7a_200016286491_100000210206 [0,2,0,0,0,0|1,0,1]=4 2758 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|1,0,0]=3 2759 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|1,0,0]=3 2760 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [0,2,0,0,0,0|1,0,1]=4 2761 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [0,2,0,0,0,0|1,0,1]=4 2762 B11R0.148 CCCCC=CC=NNC(=O)C 4a_100000189765_100016268198 [0,2,0,0,0,0|1,0,1]=4 2763 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|0,0,2]=4 2764 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 2765 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|0,0,2]=4 2766 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 2767 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,2,0,0,0,0|0,0,2]=4 2768 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,2,0,0,0,0|0,0,2]=4 2769 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,2,0,0,0,0|0,0,2]=4 2770 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,2,0,0,0,0|0,0,2]=4 2771 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,2,0,0,0,0|0,0,2]=4 2772 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,2,0,0,0,0|0,0,2]=4 2773 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,2,0,0,0,0|0,0,2]=4 2774 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,2,0,0,0,0|0,0,2]=4 2775 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,2,0,0,0,0|0,0,2]=4 2776 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,2,0,0,0,0|0,0,2]=4 2777 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,2,0,0,0,0|0,0,2]=4 2778 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,2,0,0,0,0|0,0,2]=4 2779 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,2,0,0,0,0|0,0,2]=4 2780 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,2,0,0,0,0|1,0,1]=4 2781 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,2,0,0,0,0|0,0,2]=4 2782 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,2,0,0,0,0|0,0,2]=4 2783 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,2,0,0,0,0|0,0,2]=4 2784 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,2,0,0,0,0|0,0,2]=4 2785 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,2,0,0,0,0|0,0,2]=4 2786 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,2,0,0,0,0|0,0,2]=4 2787 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,2,0,0,0,0|0,0,2]=4 2788 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,2,0,0,0,0|0,0,2]=4 2789 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|1,0,1]=4 2790 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|1,0,1]=4 2791 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|1,0,1]=4 2792 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,2,0,0,0,0|0,0,2]=4 2793 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,2,0,0,0,0|0,0,2]=4 2794 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,2,0,0,0,0|0,0,2]=4 2795 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,2,0,0,0,0|0,0,2]=4 2796 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,2,0,0,0,0|0,0,2]=4 2797 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,2,0,0,0,0|0,0,2]=4 2798 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|1,0,1]=4 2799 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,2,0,0,0,0|0,0,2]=4 2800 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,2,0,0,0,0|0,0,2]=4 2801 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,2,0,0,0,0|0,0,2]=4 2802 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,2,0,0,0,0|0,0,2]=4 2803 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,2,0,0,0,0|0,0,2]=4 2804 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,2,0,0,0,0|0,0,2]=4 2805 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,2,0,0,0,0|0,0,2]=4 2806 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,2,0,0,0,0|0,0,2]=4 2807 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,2,0,0,0,0|0,0,2]=4 2808 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,2,0,0,0,0|0,0,2]=4 2809 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,2,0,0,0,0|0,0,2]=4 2810 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,2,0,0,0,0|0,0,2]=4 2811 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,2,0,0,0,0|0,0,2]=4 2812 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,2,0,0,0,0|0,0,2]=4 2813 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,2,0,0,0,0|0,0,2]=4 2814 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,2,0,0,0,0|0,0,2]=4 2815 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,2,0,0,0,0|0,0,2]=4 2816 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,2,0,0,0,0|0,0,2]=4 2817 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,2,0,0,0,0|0,0,2]=4 2818 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,2,0,0,0,0|0,0,2]=4 2819 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,2,0,0,0,0|0,0,2]=4 2820 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,2,0,0,0,0|0,0,2]=4 2821 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,2,0,0,0,0|0,0,2]=4 2822 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,2,0,0,0,0|0,0,2]=4 2823 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,2,0,0,0,0|0,0,2]=4 2824 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,2,0,0,0,0|0,0,2]=4 2825 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,2,0,0,0,0|0,0,2]=4 2826 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,2,0,0,0,0|0,0,2]=4 2827 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,2,0,0,0,0|0,0,2]=4 2828 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,2,0,0,0,0|0,0,2]=4 2829 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,2,0,0,0,0|0,0,2]=4 2830 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,2,0,0,0,0|0,0,2]=4 2831 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,2,0,0,0,0|0,0,2]=4 2832 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,2,0,0,0,0|0,0,2]=4 2833 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,2,0,0,0,0|0,0,2]=4 2834 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,2,0,0,0,0|0,0,2]=4 2835 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,2,0,0,0,0|1,0,1]=4 2836 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,2,0,0,0,0|1,0,1]=4 2837 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,2,0,0,0,0|1,0,1]=4 2838 B11R0.148 COCCOCSCOC(=O)C 62a_100000076356_100000231047 [0,2,0,0,0,0|1,0,1]=4 2839 B11R0.148 COCCOCSCOC(=O)C 62a_100000231047_100000076356 [0,2,0,0,0,0|1,0,1]=4 2840 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,2,0,0,0,0|0,0,2]=4 2841 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,2,0,0,0,0|0,0,2]=4 2842 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,2,0,0,0,0|0,0,2]=4 2843 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,2,0,0,0,0|0,0,2]=4 2844 B11R0.148 COCSCOCCOC(=O)C 62a_100000076355_100000766300 [0,2,0,0,0,0|1,0,1]=4 2845 B11R0.148 COCSCOCCOC(=O)C 62a_100000766300_100000076355 [0,2,0,0,0,0|1,0,1]=4 2846 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,2,0,0,0,0|0,0,2]=4 2847 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,2,0,0,0,0|0,0,2]=4 2848 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,2,0,0,0,0|0,0,2]=4 2849 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,2,0,0,0,0|0,0,2]=4 2850 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,2,0,0,0,0|0,0,2]=4 2851 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,2,0,0,0,0|0,0,2]=4 2852 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,2,0,0,0,0|0,0,2]=4 2853 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,2,0,0,0,0|0,0,2]=4 2854 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,2,0,0,0,0|0,0,2]=4 2855 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,2,0,0,0,0|0,0,2]=4 2856 B11R0.148 CSCSCOCCOC(=O)C 62a_100000076355_100011218213 [0,2,0,0,0,0|1,0,1]=4 2857 B11R0.148 CSCSCOCCOC(=O)C 62a_100011218213_100000076355 [0,2,0,0,0,0|1,0,1]=4 2858 B11R0.159 CCC/C=C/COCC(C)(C)C 34a_100016278788_100011219605 [0,2,0,0,0,0|1,0,1]=4 2859 B11R0.159 CCC/C=C/COCC(C)(C)F 34a_100016278788_100011997219 [0,2,0,0,0,0|1,0,1]=4 2860 B11R0.159 CCC/C=C/COCC(C)(C)O 34a_100016278788_100000764493 [0,2,0,0,0,0|0,0,2]=4 2861 B11R0.159 CCC/C=C/COCC(C)(C)O 7a_100016278788_100000764493 [0,2,0,0,0,0|0,0,2]=4 2862 B11R0.159 CCC/C=C/COCS(=O)(=O)[O-] 34a_100016278788_100009817235 [0,2,0,0,0,0|2,0,0]=4 2863 B11R0.159 CCC/C=C/COC[Si](C)(C)C 7a_100016278788_100000233785 [0,2,0,0,0,0|1,1,0]=4 2864 B11R0.159 CCCC/C=C/COC(C)(C)C 34a_200016272032_100000210625 [0,2,0,0,0,0|1,0,1]=4 2865 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [0,2,0,0,0,0|2,0,0]=4 2866 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,2,0,0,0,0|1,0,1]=4 2867 B11R0.176 CC(=O)OCCNC(=O)CCO 240690a_100000724843_100011216618 [0,2,0,0,0,0|1,0,1]=4 2868 B11R0.176 CC(=O)OCCN[C@H](C)CCO 34a_100000706166_100009814007 [0,2,0,0,0,0|1,0,1]=4 2869 B11R0.176 CC(=O)OCCOC(C)CCBr 34a_100012276601_100009814007 [0,2,0,0,0,0|1,0,1]=4 2870 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009814007_100009893172 [0,2,0,0,0,0|1,0,1]=4 2871 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009893172_100009814007 [0,2,0,0,0,0|1,0,1]=4 2872 B11R0.176 CC(=O)OCOCC(C)CCN 34a_106354213184_100009813279 [0,2,0,0,0,0|1,0,1]=4 2873 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|1,0,1]=4 2874 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|1,0,1]=4 2875 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|0,0,1]=3 2876 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,2,0,0,0,0|0,1,1]=4 2877 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|0,1,1]=4 2878 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,2,0,0,0,0|1,0,1]=4 2879 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|1,0,1]=4 2880 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,2,0,0,0,0|1,0,1]=4 2881 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,2,0,0,0,0|1,0,1]=4 2882 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000076356_100000747444 [0,2,0,0,0,0|0,0,1]=3 2883 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000747444_100000076356 [0,2,0,0,0,0|0,0,1]=3 2884 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,2,0,0,0,0|1,0,1]=4 2885 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,2,0,0,0,0|1,0,1]=4 2886 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,2,0,0,0,0|0,0,1]=3 2887 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,2,0,0,0,0|0,0,1]=3 2888 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,2,0,0,0,0|0,0,1]=3 2889 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,2,0,0,0,0|0,1,1]=4 2890 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,2,0,0,0,0|0,1,1]=4 2891 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,2,0,0,0,0|0,1,1]=4 2892 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,2,0,0,0,0|1,0,0]=3 2893 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,2,0,0,0,0|0,0,2]=4 2894 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,2,0,0,0,0|0,0,2]=4 2895 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,2,0,0,0,0|0,0,2]=4 2896 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,2,0,0,0,0|0,0,2]=4 2897 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,2,0,0,0,0|0,0,2]=4 2898 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,2,0,0,0,0|0,0,2]=4 2899 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,2,0,0,0,0|0,0,2]=4 2900 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,2,0,0,0,0|0,0,2]=4 2901 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,2,0,0,0,0|0,0,2]=4 2902 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000076356_100000183381 [0,2,0,0,0,0|1,0,1]=4 2903 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000183381_100000076356 [0,2,0,0,0,0|1,0,1]=4 2904 B11R0.176 CCNC(=O)NCCOC(=O)C 2708a_100015525214_100000724843 [0,2,0,0,0,0|1,0,1]=4 2905 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100000724843_100015525214 [0,2,0,0,0,0|1,0,1]=4 2906 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100015525214_100000724843 [0,2,0,0,0,0|1,0,1]=4 2907 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100000724843_100015525214 [0,2,0,0,0,0|1,0,1]=4 2908 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100015525214_100000724843 [0,2,0,0,0,0|1,0,1]=4 2909 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,2,0,0,0,0|1,0,1]=4 2910 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,2,0,0,0,0|1,0,1]=4 2911 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,2,0,0,0,0|1,0,1]=4 2912 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,2,0,0,0,0|1,0,1]=4 2913 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [0,2,0,0,0,0|1,0,1]=4 2914 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [0,2,0,0,0,0|1,0,1]=4 2915 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [0,2,0,0,0,0|1,0,1]=4 2916 B11R0.176 COCC(C)SCCOC(=O)C 62a_100000765312_100009814007 [0,2,0,0,0,0|1,0,1]=4 2917 B11R0.176 COCC(C)SCCOC(=O)C 62a_100009814007_100000765312 [0,2,0,0,0,0|1,0,1]=4 2918 B11R0.176 COCC(N)COCOC(=O)C 34a_100000724102_100009813279 [0,2,0,0,0,0|1,0,1]=4 2919 B11R0.176 COCC(O)CNCOC(=O)C 34a_100000756049_100009813279 [0,2,0,0,0,0|1,0,1]=4 2920 B11R0.176 COCC(O)CSCOC(=O)C 62a_100000076356_100011215053 [0,2,0,0,0,0|1,0,1]=4 2921 B11R0.176 COCC(O)CSCOC(=O)C 62a_100011215053_100000076356 [0,2,0,0,0,0|1,0,1]=4 2922 B11R0.176 COC[C@@H](C)OCCOC(=O)C 34a_100011934205_100009814007 [0,2,0,0,0,0|1,0,1]=4 2923 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,2,0,0,0,0|1,0,1]=4 2924 B11R0.176 CSCC(=O)NCCOC(=O)C 11a_100000724843_100000184570 [0,2,0,0,0,0|1,0,1]=4 2925 B11R0.176 CSCC(=O)NCCOC(=O)C 240690a_100000724843_100000184570 [0,2,0,0,0,0|1,0,1]=4 2926 B11R0.176 CSCC(=O)NCCOC(=O)C 527a_100000724843_100000184570 [0,2,0,0,0,0|1,0,1]=4 2927 B11R0.68 CC(=O)O[C@@H](C)C(=O)CCCF 1458a_100009816467_100011934791 [0,2,0,0,0,0|1,0,1]=4 2928 B11R0.68 CC(=O)O[C@@H](C)C(=O)CCCO 1458a_100009816467_100011215043 [0,2,0,0,0,0|1,0,1]=4 2929 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCF 11a_100000724931_100009816467 [0,2,0,0,0,0|2,0,0]=4 2930 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCF 1626a_100000724931_100009816467 [0,2,0,0,0,0|2,0,0]=4 2931 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCF 240690a_100000724931_100009816467 [0,2,0,0,0,0|2,0,0]=4 2932 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCF 527a_100000724931_100009816467 [0,2,0,0,0,0|2,0,0]=4 2933 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCO 240690a_100000210304_100009816467 [0,2,0,0,0,0|2,0,0]=4 2934 B11R0.68 CC(=O)O[C@@H](C)C(=O)NCCO 527a_100000210304_100009816467 [0,2,0,0,0,0|2,0,0]=4 2935 B11R0.68 CCC#CC(=O)C(C)OC(=O)C 1458a_100011827653_100009818208 [0,2,0,0,0,0|0,0,2]=4 2936 B11R0.68 CCC=CC(=O)C(C)OC(=O)C 1458a_100000212282_100009818208 [0,2,0,0,0,0|0,0,1]=3 2937 B11R0.68 CCCCC(=O)C(C)OC(=O)C 1458a_100000210183_100009818208 [0,2,0,0,0,0|0,0,1]=3 2938 B11R0.68 CCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210211 [0,2,0,0,0,0|1,0,1]=4 2939 B11R0.68 CCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210211 [0,2,0,0,0,0|0,0,1]=3 2940 B11R0.68 CCCCN(C)C(C)OC(=O)C 269982a_100000207549_100009818208 [0,2,0,0,0,0|1,0,1]=4 2941 B11R0.68 CCCNC(=O)C(C)NC(=O)C 11a_100025744714_100015343762 [0,2,0,0,0,0|2,0,0]=4 2942 B11R0.68 CCCNC(=O)C(C)NC(=O)C 1626a_100025744714_100015343762 [0,2,0,0,0,0|2,0,0]=4 2943 B11R0.68 CCCNC(=O)C(C)NC(=O)C 240690a_100025744714_100015343762 [0,2,0,0,0,0|2,0,0]=4 2944 B11R0.68 CCCNC(=O)C(C)NC(=O)C 527a_100025744714_100103153847 [0,2,0,0,0,0|2,0,0]=4 2945 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 11a_100020643023_100011504603 [0,2,0,0,0,0|2,0,0]=4 2946 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 1626a_100020643023_100011504603 [0,2,0,0,0,0|2,0,0]=4 2947 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 240690a_100020643023_100011504603 [0,2,0,0,0,0|2,0,0]=4 2948 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 527a_100020643023_100011504603 [0,2,0,0,0,0|2,0,0]=4 2949 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 11a_100020643023_100009816467 [0,2,0,0,0,0|1,0,0]=3 2950 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 1626a_100020643023_100009816467 [0,2,0,0,0,0|1,0,0]=3 2951 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 240690a_100020643023_100009816467 [0,2,0,0,0,0|1,0,0]=3 2952 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 527a_100020643023_100009816467 [0,2,0,0,0,0|1,0,0]=3 2953 B11R0.68 CCOCC(=O)C(C)OC(=O)C 1458a_100000211967_100009818208 [0,2,0,0,0,0|1,0,1]=4 2954 B11R0.68 CCSCC(=O)C(C)OC(=O)C 1458a_100000230394_100009818208 [0,2,0,0,0,0|1,0,1]=4 2955 B11R0.68 COC=CC(=O)C(C)OC(=O)C 1458a_100016268678_100009818208 [0,2,0,0,0,0|1,0,1]=4 2956 B11R0.68 COCCC(=O)C(C)OC(=O)C 1458a_100000749529_100009818208 [0,2,0,0,0,0|1,0,1]=4 2957 B11R0.68 COCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000233755 [0,2,0,0,0,0|1,0,1]=4 2958 B11R0.68 CSCCC(=O)C(C)OC(=O)C 1458a_100000174002_100009818208 [0,2,0,0,0,0|1,0,1]=4 2959 B11R0.68 CSCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000751147 [0,2,0,0,0,0|1,0,1]=4 2960 B11R0.107 CCC(C)CSC(C)OC(=O)C 62a_100000748023_100009818208 [0,2,0,0,0,0|1,0,1]=4 2961 B11R0.107 CCC(C)CSC(C)OC(=O)C 62a_100009818208_100000748023 [0,2,0,0,0,0|1,0,1]=4 2962 B11R0.107 CCC(O)CSC(C)OC(=O)C 62a_100009818208_100011218378 [0,2,0,0,0,0|1,0,1]=4 2963 B11R0.107 CCC(O)CSC(C)OC(=O)C 62a_100011218378_100009818208 [0,2,0,0,0,0|1,0,1]=4 2964 B11R0.107 CC[C@H](C)CSC(C)OC(=O)C 62a_100009816398_100009818208 [0,2,0,0,0,0|1,0,1]=4 2965 B11R0.107 CC[C@H](C)CSC(C)OC(=O)C 62a_100009818208_100009816398 [0,2,0,0,0,0|1,0,1]=4 2966 B11R0.139 CCCC=CC(=O)C(C)C(=O)C 1458a_100000212230_100000179758 [0,2,0,0,0,0|1,0,1]=4 2967 B11R0.154 CCCC=CC(=O)CC(=O)CC 1458a_100000212230_100000747405 [0,2,0,0,0,0|1,0,1]=4 2968 B11R0.154 CCCC=CC(=O)CC(=O)NC 1458a_100000212230_100000183359 [0,2,0,0,0,0|1,0,1]=4 2969 B11R0.154 CCCC=CC(=O)CC(=O)OC 1458a_100000212230_100000747449 [0,2,0,0,0,0|1,0,1]=4 2970 B11R0.31 CC(=O)OCCOCC(C)(C)F 34a_100000716592_100009814007 [0,2,0,0,0,0|1,0,1]=4 2971 B11R0.31 CC(=O)OCCOCC(C)(F)F 34a_100000068830_100009814007 [0,2,0,0,0,0|1,0,1]=4 2972 B11R0.31 CC(=O)OCCSCC(C)(C)C 62a_100009814007_100011219605 [0,2,0,0,0,0|1,0,1]=4 2973 B11R0.31 CC(=O)OCCSCC(C)(C)C 62a_100011219605_100009814007 [0,2,0,0,0,0|1,0,1]=4 2974 B11R0.31 CC(=O)OCCSCC(C)(C)F 62a_100009814007_100011997219 [0,2,0,0,0,0|1,0,1]=4 2975 B11R0.31 CC(=O)OCCSCC(C)(C)F 62a_100011997219_100009814007 [0,2,0,0,0,0|1,0,1]=4 2976 B11R0.31 CC(=O)OCCSCC(C)(C)O 62a_100000764493_100009814007 [0,2,0,0,0,0|1,0,1]=4 2977 B11R0.31 CC(=O)OCCSCC(C)(C)O 62a_100009814007_100000764493 [0,2,0,0,0,0|1,0,1]=4 2978 B11R0.31 CC(=O)OCSCCC(C)(C)C 62a_100000076356_100000755188 [0,2,0,0,0,0|1,0,1]=4 2979 B11R0.31 CC(=O)OCSCCC(C)(C)C 62a_100000755188_100000076356 [0,2,0,0,0,0|1,0,1]=4 2980 B11R0.31 CC(=O)OCSCCC(C)(C)O 62a_100000076356_100000702414 [0,2,0,0,0,0|1,0,1]=4 2981 B11R0.31 CC(=O)OCSCCC(C)(C)O 62a_100000702414_100000076356 [0,2,0,0,0,0|1,0,1]=4 2982 B11R0.49 C#CC(C)(C)OC/C=C/CCC 34a_100016278788_100000038118 [0,2,0,0,0,0|1,0,1]=4 2983 B11R0.49 CCC/C=C/COC(C)(C)C#N 34a_100016278788_100011162410 [0,2,0,0,0,0|1,0,1]=4 2984 B11R0.49 CCC/C=C/COC(C)(C)C#N 7a_100016278788_100011162410 [0,2,0,0,0,0|1,0,1]=4 2985 B11R0.49 CCC/C=C/COC(C)(C)CC 7a_100016278788_100000210677 [0,2,0,0,0,0|1,0,1]=4 2986 B11R0.22 C#CC(CC)OCCOC(=O)C 34a_100000758843_100009814007 [0,2,0,0,0,0|1,0,1]=4 2987 B11R0.22 C#CC(CC)OCCOC(=O)C 7a_100000758843_100009814007 [0,2,0,0,0,0|1,0,1]=4 2988 B11R0.22 C=CC(CC)OCCOC(=O)C 34a_100000766422_100009814007 [0,2,0,0,0,0|1,0,1]=4 2989 B11R0.22 C=CC(CC)OCCOC(=O)C 7a_100000766422_100009814007 [0,2,0,0,0,0|1,0,1]=4 2990 B11R0.22 CCC(CC)CSCOC(=O)C 62a_100000076356_100011215472 [0,2,0,0,0,0|1,0,1]=4 2991 B11R0.22 CCC(CC)CSCOC(=O)C 62a_100011215472_100000076356 [0,2,0,0,0,0|1,0,1]=4 2992 B11R0.22 CCC(CC)OCCOC(=O)C 7a_100000688536_100009814007 [0,2,0,0,0,0|1,0,1]=4 2993 B11R0.22 CCC(CC)SCCOC(=O)C 62a_100000210505_100009814007 [0,2,0,0,0,0|1,0,1]=4 2994 B11R0.22 CCC(CC)SCCOC(=O)C 62a_100009814007_100000210505 [0,2,0,0,0,0|1,0,1]=4 2995 B11R0.22 CCC(COCOC(=O)C)OC 34a_100011934954_100009813279 [0,2,0,0,0,0|1,0,1]=4 2996 B11R0.29 CC(=O)OCCOC(C)C(C)C 7a_100000748068_100009814007 [0,2,0,0,0,0|1,0,1]=4 2997 B11R0.29 CC(=O)OCNCC(O)C(C)C 34a_100000759067_100009813279 [0,2,0,0,0,0|1,0,1]=4 2998 B11R0.29 CC(=O)OCOC[C@H](N)C(C)C 34a_100011830312_100009813279 [0,2,0,0,0,0|1,0,1]=4 2999 B11R0.93 CC(=O)OCC(=O)C[C@@H](C)CO 1458a_100000183556_100000059175 [0,2,0,0,0,0|1,0,1]=4 3000 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CF 1626a_100102880703_100000183556 [0,2,0,0,0,0|2,0,0]=4 3001 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CF 240690a_100102880703_100000183556 [0,2,0,0,0,0|2,0,0]=4 3002 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CF 527a_100102880703_100000183556 [0,2,0,0,0,0|2,0,0]=4 3003 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CO 240690a_100000737577_100000183556 [0,2,0,0,0,0|2,0,0]=4 3004 B11R0.93 CC(=O)OCC(=O)N[C@H](C)CO 527a_100000737577_100000183556 [0,2,0,0,0,0|2,0,0]=4 3005 B11R0.93 CCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747405 [0,2,0,0,0,0|0,0,2]=4 3006 B11R0.93 CCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748023 [0,2,0,0,0,0|1,0,1]=4 3007 B11R0.93 CCC(C)CC(=O)COC(=O)C 1458a_100000183556_100000748023 [0,2,0,0,0,0|0,0,1]=3 3008 B11R0.93 CCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748023 [0,2,0,0,0,0|0,1,1]=4 3009 B11R0.93 CCC(C)CN(C)COC(=O)C 269982a_100000753921_100000076356 [0,2,0,0,0,0|1,0,1]=4 3010 B11R0.93 CCC(C)NC(=O)CNC(=O)C 11a_100000209981_100000194580 [0,2,0,0,0,0|2,0,0]=4 3011 B11R0.93 CCC(C)NC(=O)CNC(=O)C 1626a_100000209981_100000194580 [0,2,0,0,0,0|2,0,0]=4 3012 B11R0.93 CCC(C)NC(=O)CNC(=O)C 240690a_100000209981_100000194580 [0,2,0,0,0,0|2,0,0]=4 3013 B11R0.93 CCC(C)NC(=O)CNC(=O)C 527a_100000209981_100000194580 [0,2,0,0,0,0|2,0,0]=4 3014 B11R0.93 CCC(C)NC(=O)COC(=O)C 1626a_100000209981_100000183556 [0,2,0,0,0,0|1,0,0]=3 3015 B11R0.93 CCC(C)NC(=O)COC(=O)C 240690a_100000209981_100000183556 [0,2,0,0,0,0|1,0,0]=3 3016 B11R0.93 CCC(C)NC(=O)COC(=O)C 527a_100000209981_100000183556 [0,2,0,0,0,0|1,0,0]=3 3017 B11R0.93 CCC(C)NC(=O)CSC(=O)C 11a_100000209981_100000049016 [0,2,0,0,0,0|1,1,0]=4 3018 B11R0.93 CCC(C)NC(=O)CSC(=O)C 1626a_100000209981_100000049016 [0,2,0,0,0,0|1,1,0]=4 3019 B11R0.93 CCC(C)NC(=O)CSC(=O)C 240690a_100000209981_100000049016 [0,2,0,0,0,0|1,1,0]=4 3020 B11R0.93 CCC(C)NC(C)COC(=O)C 270004a_100000209981_100000000629 [0,2,0,0,0,0|1,0,1]=4 3021 B11R0.93 CCC(O)CC(=O)CNC(=O)C 1458a_100000194580_100011218378 [0,2,0,0,0,0|1,0,1]=4 3022 B11R0.93 CCC(O)CC(=O)COC(=O)C 1458a_100000183556_100011218378 [0,2,0,0,0,0|0,0,1]=3 3023 B11R0.93 CCC(O)CC(=O)CSC(=O)C 1458a_100000049016_100011218378 [0,2,0,0,0,0|0,1,1]=4 3024 B11R0.93 CCN(C)CC(=O)COC(=O)C 269982a_100000225621_100000036994 [0,2,0,0,0,0|1,0,1]=4 3025 B11R0.93 CC[C@H](C)CC(=O)CNC(=O)C 1458a_100000194580_100009816398 [0,2,0,0,0,0|1,0,1]=4 3026 B11R0.93 CC[C@H](C)CC(=O)COC(=O)C 1458a_100000183556_100009816398 [0,2,0,0,0,0|0,0,1]=3 3027 B11R0.93 CC[C@H](C)CC(=O)CSC(=O)C 1458a_100000049016_100009816398 [0,2,0,0,0,0|0,1,1]=4 3028 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [0,2,0,0,0,0|1,0,1]=4 3029 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [0,2,0,0,0,0|1,0,1]=4 3030 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,2,0,0,0,0|1,0,1]=4 3031 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,2,0,0,0,0|1,0,1]=4 3032 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,2,0,0,0,0|1,0,1]=4 3033 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,2,0,0,0,0|1,0,1]=4 3034 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [0,2,0,0,0,0|1,0,1]=4 3035 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [0,2,0,0,0,0|1,0,1]=4 3036 B11R0.127 CCC(C)(C)OCCOC(=O)C 7a_100000210230_100009814007 [0,2,0,0,0,0|1,0,1]=4 3037 B11R0.127 CCC(C)(C)SCCOC(=O)C 62a_100000032637_100009814007 [0,2,0,0,0,0|1,0,1]=4 3038 B11R0.127 CCC(C)(C)SCCOC(=O)C 62a_100009814007_100000032637 [0,2,0,0,0,0|1,0,1]=4 3039 B11R0.4 C#CCC(=O)C=C/C=C/CCC 1458a_200016258893_100000184674 [0,2,0,0,0,0|1,0,1]=4 3040 B11R0.4 C=CCC(=O)C=C/C=C/CCC 1458a_200016258893_100000210623 [0,2,0,0,0,0|1,0,1]=4 3041 B11R0.4 CCC/C=C/C=CC(=O)CC#N 1458a_200016258893_100011214920 [0,2,0,0,0,0|1,0,1]=4 3042 B11R0.4 CCC/C=C/C=CC(=O)CCC 1458a_200016258893_100000210303 [0,2,0,0,0,0|1,0,1]=4 3043 B11R0.4 CCC/C=C/C=CC(=O)CCF 1458a_200016258893_100011217306 [0,2,0,0,0,0|1,0,1]=4 3044 B11R0.4 CCC/C=C/C=CC(=O)CCO 1458a_200016258893_100000211926 [0,2,0,0,0,0|1,0,1]=4 3045 B11R0.4 CCC/C=C/C=CC(=O)NCC 11a_100015525214_200016258893 [0,2,0,0,0,0|1,0,1]=4 3046 B11R0.4 CCC/C=C/C=CC(=O)NCC 240690a_100015525214_200016258893 [0,2,0,0,0,0|1,0,1]=4 3047 B11R0.4 CCC/C=C/C=CC(=O)NNC 22a_100016993582_200016258893 [0,2,0,0,0,0|1,0,1]=4 3048 B11R0.4 CCC/C=C/COC(C)CC#N 7a_100016278788_100009813641 [0,2,0,0,0,0|1,0,1]=4 3049 B11R0.4 CCC/C=C/COC(C)CCC 34a_100016278788_100000766640 [0,2,0,0,0,0|1,0,1]=4 3050 B11R0.4 CCC/C=C/COC(C)CCC 7a_100016278788_100000766640 [0,2,0,0,0,0|1,0,1]=4 3051 B11R0.4 CCC/C=C/COC(C)CCO 34a_100016278788_100009893172 [0,2,0,0,0,0|0,0,2]=4 3052 B11R0.4 CCC/C=C/COC(C)CCO 7a_100016278788_100009893172 [0,2,0,0,0,0|0,0,2]=4 3053 B11R0.4 CCC/C=C/COC(C)COC 34a_100016278788_100000765312 [0,2,0,0,0,0|0,0,2]=4 3054 B11R0.4 CCC/C=C/COC(C)COC 7a_100016278788_100000765312 [0,2,0,0,0,0|0,0,2]=4 3055 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,2,0,0,0,0|1,0,1]=4 3056 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,2,0,0,0,0|1,0,1]=4 3057 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,2,0,0,0,0|1,0,1]=4 3058 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,2,0,0,0,0|1,0,1]=4 3059 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [0,2,0,0,0,0|1,0,1]=4 3060 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,2,0,0,0,0|1,0,1]=4 3061 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [0,2,0,0,0,0|1,0,1]=4 3062 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [0,2,0,0,0,0|1,0,1]=4 3063 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [0,2,0,0,0,0|2,0,0]=4 3064 B11R0.70 CCCNC(=O)CCC(=O)CF 1458a_100000199543_100015361967 [0,2,0,0,0,0|2,0,0]=4 3065 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [0,2,0,0,0,0|2,0,0]=4 3066 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [0,2,0,0,0,0|2,0,0]=4 3067 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [0,2,0,0,0,0|2,0,0]=4 3068 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [0,2,0,0,0,0|2,0,0]=4 3069 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [0,2,0,0,0,0|2,0,0]=4 3070 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [0,2,0,0,0,0|2,0,0]=4 3071 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [0,2,0,0,0,0|2,0,0]=4 3072 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [0,2,0,0,0,0|2,0,0]=4 3073 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [0,2,0,0,0,0|2,0,0]=4 3074 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [0,2,0,0,0,0|2,0,0]=4 3075 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [0,2,0,0,0,0|2,0,0]=4 3076 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [0,2,0,0,0,0|2,0,0]=4 3077 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 3078 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 3079 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 3080 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 3081 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 3082 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 3083 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100000174927_100000210414 [0,2,0,0,0,0|2,0,0]=4 3084 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100020643023_100000194589 [0,2,0,0,0,0|2,0,0]=4 3085 B11R0.70 CCCNC(=O)CNC(=O)CO 240690a_100000174927_100000210174 [0,2,0,0,0,0|2,0,0]=4 3086 B11R0.70 CCCNC(=O)CNC(=O)CO 527a_100000174927_100000210174 [0,2,0,0,0,0|2,0,0]=4 3087 B11R0.70 CCCNC(=O)CNC(=O)NC 2708a_100102657272_100000174927 [0,2,0,0,0,0|2,0,0]=4 3088 B11R0.70 CCCNC(=O)CNC(=O)NC 273464a_100000174927_100102657272 [0,2,0,0,0,0|2,0,0]=4 3089 B11R0.70 CCCNC(=O)CNC(=O)NC 273464a_100102657272_100000174927 [0,2,0,0,0,0|2,0,0]=4 3090 B11R0.70 CCCNC(=O)CNC(=O)NC 512a_100000174927_100102657272 [0,2,0,0,0,0|2,0,0]=4 3091 B11R0.70 CCCNC(=O)CNC(=O)NC 512a_106832991638_100000174927 [0,2,0,0,0,0|2,0,0]=4 3092 B11R0.70 CCCNC(=O)CNC(=O)OC 11a_100020643023_100000215747 [0,2,0,0,0,0|2,0,0]=4 3093 B11R0.70 CCCNC(=O)CNC(=O)OC 1626a_100020643023_100000215747 [0,2,0,0,0,0|2,0,0]=4 3094 B11R0.70 CCCNC(=O)CNC(=O)OC 240690a_100020643023_100000215747 [0,2,0,0,0,0|2,0,0]=4 3095 B11R0.70 CCCNC(=O)CNC(=O)OC 527a_100020643023_100000215747 [0,2,0,0,0,0|2,0,0]=4 3096 B11R0.124 CCC/C=C/COC(C=O)C=O 34a_100016278788_100000736813 [0,2,0,0,0,0|0,0,2]=4 3097 B11R0.124 CCC/C=C/COC(CC)CC 7a_100016278788_100000210505 [0,2,0,0,0,0|1,0,1]=4 3098 B11R0.163 CCC=CC(=O)CC(=O)C(=O)C 1458a_100000212282_100011261029 [0,2,0,0,0,0|1,0,1]=4 3099 B11R0.163 CCCCC(=O)CC(=O)C(=O)C 1458a_100000210183_100011261029 [0,2,0,0,0,0|1,0,1]=4 3100 B11R0.163 CCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210211 [0,2,0,0,0,0|1,0,1]=4 3101 B11R0.163 CCCNC(=O)CN(C)C(=O)C 11a_100000684209_100015343762 [0,2,0,0,0,0|2,0,0]=4 3102 B11R0.163 CCCNC(=O)CN(C)C(=O)C 11a_100020643023_100000194957 [0,2,0,0,0,0|2,0,0]=4 3103 B11R0.163 CCCNC(=O)CN(C)C(=O)C 1626a_100000684209_100015343762 [0,2,0,0,0,0|2,0,0]=4 3104 B11R0.163 CCCNC(=O)CN(C)C(=O)C 1626a_100020643023_100000194957 [0,2,0,0,0,0|2,0,0]=4 3105 B11R0.163 CCCNC(=O)CN(C)C(=O)C 240690a_100000684209_100015343762 [0,2,0,0,0,0|2,0,0]=4 3106 B11R0.163 CCCNC(=O)CN(C)C(=O)C 240690a_100020643023_100000194957 [0,2,0,0,0,0|2,0,0]=4 3107 B11R0.163 CCCNC(=O)CN(C)C(=O)C 527a_100000684209_100103153847 [0,2,0,0,0,0|2,0,0]=4 3108 B11R0.163 CCCNC(=O)CN(C)C(=O)C 527a_100020643023_100000194957 [0,2,0,0,0,0|2,0,0]=4 3109 B11R0.85 C=C(C)CCC(=O)COC(=O)C 1458a_100000183556_100000730704 [0,2,0,0,0,0|0,0,2]=4 3110 B11R0.85 C=C(C)CNC(=O)COC(=O)C 1626a_100000765925_100000183556 [0,2,0,0,0,0|1,0,1]=4 3111 B11R0.85 C=C(C)CNC(=O)COC(=O)C 240690a_100000765925_100000183556 [0,2,0,0,0,0|1,0,1]=4 3112 B11R0.85 C=C(C)CNC(=O)COC(=O)C 527a_100000765925_100000183556 [0,2,0,0,0,0|1,0,1]=4 3113 B11R0.85 CC(=O)NCC(=O)CCC(C)C 1458a_100000194580_100000210312 [0,2,0,0,0,0|1,0,1]=4 3114 B11R0.85 CC(=O)NCC(=O)CCC(C)O 1458a_100000194580_100012276601 [0,2,0,0,0,0|1,0,1]=4 3115 B11R0.85 CC(=O)NCC(=O)NCC(C)C 11a_100000210953_100000194580 [0,2,0,0,0,0|2,0,0]=4 3116 B11R0.85 CC(=O)NCC(=O)NCC(C)C 1626a_100000210953_100000194580 [0,2,0,0,0,0|2,0,0]=4 3117 B11R0.85 CC(=O)NCC(=O)NCC(C)C 240690a_100000210953_100000194580 [0,2,0,0,0,0|2,0,0]=4 3118 B11R0.85 CC(=O)NCC(=O)NCC(C)C 527a_100000210953_100000194580 [0,2,0,0,0,0|2,0,0]=4 3119 B11R0.85 CC(=O)NCC(=O)NCC(C)O 11a_100000210904_100000194580 [0,2,0,0,0,0|2,0,0]=4 3120 B11R0.85 CC(=O)NCC(=O)NCC(C)O 240690a_100000210904_100000194580 [0,2,0,0,0,0|2,0,0]=4 3121 B11R0.85 CC(=O)NCC(=O)NCC(C)O 527a_100000210904_100000194580 [0,2,0,0,0,0|2,0,0]=4 3122 B11R0.85 CC(=O)OCC(=NNC(C)C)C 4a_100000741168_100000000629 [0,2,0,0,0,0|2,0,0]=4 3123 B11R0.85 CC(=O)OCC(=O)CCC(C)C 1458a_100000183556_100000210312 [0,2,0,0,0,0|0,0,1]=3 3124 B11R0.85 CC(=O)OCC(=O)CCC(C)O 1458a_100000183556_100012276601 [0,2,0,0,0,0|0,0,1]=3 3125 B11R0.85 CC(=O)OCC(=O)CNC(C)C 34a_100138425928_100000036994 [0,2,0,0,0,0|1,0,1]=4 3126 B11R0.85 CC(=O)OCC(=O)COC(C)C 34a_100000212225_100000036994 [0,2,0,0,0,0|1,0,1]=4 3127 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000036994_100000210206 [0,2,0,0,0,0|1,0,1]=4 3128 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000210206_100000036994 [0,2,0,0,0,0|1,0,1]=4 3129 B11R0.85 CC(=O)OCC(=O)NCC(C)C 1626a_100000210953_100000183556 [0,2,0,0,0,0|1,0,0]=3 3130 B11R0.85 CC(=O)OCC(=O)NCC(C)C 240690a_100000210953_100000183556 [0,2,0,0,0,0|1,0,0]=3 3131 B11R0.85 CC(=O)OCC(=O)NCC(C)C 527a_100000210953_100000183556 [0,2,0,0,0,0|1,0,0]=3 3132 B11R0.85 CC(=O)OCC(=O)NCC(C)O 240690a_100000210904_100000183556 [0,2,0,0,0,0|1,0,0]=3 3133 B11R0.85 CC(=O)OCC(=O)NCC(C)O 527a_100000210904_100000183556 [0,2,0,0,0,0|1,0,0]=3 3134 B11R0.85 CC(=O)OCC(=O)NCC(F)F 1626a_100000765723_100000183556 [0,2,0,0,0,0|2,0,0]=4 3135 B11R0.85 CC(=O)OCC(=O)NCC(F)F 240690a_100000765723_100000183556 [0,2,0,0,0,0|2,0,0]=4 3136 B11R0.85 CC(=O)OCC(=O)NCC(F)F 527a_100000765723_100000183556 [0,2,0,0,0,0|2,0,0]=4 3137 B11R0.85 CC(=O)OCC(=O)NNC(C)C 22a_100000741168_100000183556 [0,2,0,0,0,0|2,0,0]=4 3138 B11R0.85 CC(=O)OCC(C)NCC(C)C 270004a_100000210953_100000000629 [0,2,0,0,0,0|1,0,1]=4 3139 B11R0.85 CC(=O)OCC(C)NCC(C)O 270004a_100000210904_100000000629 [0,2,0,0,0,0|1,0,1]=4 3140 B11R0.85 CC(=O)OCN(C)CCC(C)C 269982a_100000742789_100000076356 [0,2,0,0,0,0|1,0,1]=4 3141 B11R0.85 CC(=O)SCC(=O)CCC(C)C 1458a_100000049016_100000210312 [0,2,0,0,0,0|0,1,1]=4 3142 B11R0.85 CC(=O)SCC(=O)CCC(C)O 1458a_100000049016_100012276601 [0,2,0,0,0,0|0,1,1]=4 3143 B11R0.85 CC(=O)SCC(=O)NCC(C)C 11a_100000210953_100000049016 [0,2,0,0,0,0|1,1,0]=4 3144 B11R0.85 CC(=O)SCC(=O)NCC(C)C 1626a_100000210953_100000049016 [0,2,0,0,0,0|1,1,0]=4 3145 B11R0.85 CC(=O)SCC(=O)NCC(C)C 240690a_100000210953_100000049016 [0,2,0,0,0,0|1,1,0]=4 3146 B11R0.85 CC(=O)SCC(=O)NCC(C)O 11a_100000210904_100000049016 [0,2,0,0,0,0|1,1,0]=4 3147 B11R0.85 CC(=O)SCC(=O)NCC(C)O 240690a_100000210904_100000049016 [0,2,0,0,0,0|1,1,0]=4 3148 B11R0.164 CCC/C=C(\CC)/COC(C)C 34a_200015372368_100000210206 [0,2,0,0,0,0|1,0,1]=4 3149 B11R0.164 CCC/C=C(\CC)/COC(C)C 7a_200015372368_100000210206 [0,2,0,0,0,0|1,0,1]=4 3150 B11R0.164 CCCCN(CC)COC(=O)C 269982a_100000207695_100000076356 [0,2,0,0,0,0|1,0,1]=4 3151 B11R0.164 CCCOC(CCl)COC(=O)C 7a_200000139349_100000210303 [0,2,0,0,0,0|1,0,1]=4 3152 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,1,0,0|1,0,1]=4 3153 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|0,0,1]=3 3154 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,1,0,0|0,1,1]=4 3155 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,1,0,0|0,1,1]=4 3156 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [1,0,0,1,0,0|1,0,1]=4 3157 B9R1.14 CCC1C=CCN1CC 2230a_100000730860_100000210202 [1,0,0,1,0,0|1,0,1]=4 3158 B9R1.14 CCC1C=CCN1CC 269982a_100000730860_100000204670 [1,0,0,1,0,0|1,0,1]=4 3159 B9R1.14 CCC1C=CCN1CC 34a_100000730860_100000210202 [1,0,0,1,0,0|1,0,1]=4 3160 B9R1.33 CCSc1cnoc1C 62a_100000210202_100009872056 [1,0,0,1,0,0|2,0,0]=4 3161 B9R1.33 CCSc1cnoc1C 62a_100009872056_100000210202 [1,0,0,1,0,0|2,0,0]=4 3162 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [1,0,0,1,0,0|2,0,0]=4 3163 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [1,0,0,1,0,0|1,0,1]=4 3164 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [1,0,0,1,0,0|1,0,1]=4 3165 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [1,0,0,1,0,0|1,0,1]=4 3166 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [1,0,0,1,0,0|1,0,1]=4 3167 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [1,0,0,1,0,0|2,0,0]=4 3168 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|1,0,1]=4 3169 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,1,0,0|0,0,2]=4 3170 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [1,0,0,1,0,0|1,0,1]=4 3171 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|0,0,0]=2 3172 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|0,0,2]=4 3173 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|0,0,2]=4 3174 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|1,0,1]=4 3175 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|1,0,1]=4 3176 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|1,0,1]=4 3177 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [1,0,0,1,0,0|1,0,0]=3 3178 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [1,0,0,1,0,0|1,0,0]=3 3179 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [1,0,0,1,0,0|1,0,0]=3 3180 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [1,0,0,1,0,0|1,0,0]=3 3181 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [1,0,0,1,0,0|2,0,0]=4 3182 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [1,0,0,1,0,0|2,0,0]=4 3183 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|1,0,0]=3 3184 B9R1.6 CN(C)C1C=CCCC1 2230a_100102631434_100000751183 [1,0,0,1,0,0|2,0,0]=4 3185 B9R1.6 CN(C)C1C=CCCC1 269982a_100102631434_100000751183 [1,0,0,1,0,0|2,0,0]=4 3186 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,1,0,0|0,0,2]=4 3187 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [1,0,0,1,0,0|1,0,1]=4 3188 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|0,0,2]=4 3189 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|1,0,1]=4 3190 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|1,0,1]=4 3191 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|1,0,0]=3 3192 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [1,0,0,1,0,0|2,0,0]=4 3193 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [1,0,0,1,0,0|2,0,0]=4 3194 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [1,0,0,1,0,0|1,0,1]=4 3195 B9R1.7 CNCc1coc(n1)C 207a_100102657272_100011361629 [1,0,0,1,0,0|2,0,0]=4 3196 B9R1.7 CNCc1coc(n1)C 270004a_106832991635_100011361629 [1,0,0,1,0,0|2,0,0]=4 3197 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [1,0,0,1,0,0|1,0,1]=4 3198 B9R1.7 COCc1coc(n1)C 34a_100012017233_200000210301 [1,0,0,1,0,0|2,0,0]=4 3199 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [1,0,0,1,0,0|1,0,1]=4 3200 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [1,0,0,1,0,0|1,0,1]=4 3201 B9R1.7 Cc1nc(co1)CO[13CH3] 34a_100012017233_200025704644 [1,0,0,1,0,0|2,0,0]=4 3202 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [1,0,0,1,0,0|1,0,1]=4 3203 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [1,0,0,1,0,0|1,0,1]=4 3204 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [1,0,0,1,0,0|1,0,1]=4 3205 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [1,0,0,1,0,0|0,0,2]=4 3206 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [1,0,0,1,0,0|0,0,0]=2 3207 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|1,0,0]=3 3208 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|0,0,2]=4 3209 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|0,0,2]=4 3210 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|1,0,1]=4 3211 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,1,0,0|1,0,1]=4 3212 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 3213 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 3214 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,1,0,0|1,0,1]=4 3215 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,1,0,0|1,0,1]=4 3216 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [1,0,0,1,0,0|0,0,2]=4 3217 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [1,0,0,1,0,0|0,0,0]=2 3218 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|1,0,0]=3 3219 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|0,0,2]=4 3220 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,1,0,0|1,0,1]=4 3221 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|0,0,2]=4 3222 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|1,0,1]=4 3223 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|1,0,1]=4 3224 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|1,0,1]=4 3225 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|1,0,1]=4 3226 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|1,0,1]=4 3227 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|0,0,2]=4 3228 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [1,0,0,1,0,0|2,0,0]=4 3229 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [1,0,0,1,0,0|2,0,0]=4 3230 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [1,0,0,1,0,0|1,0,1]=4 3231 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [1,0,0,1,0,0|1,0,1]=4 3232 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 3233 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 3234 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [1,0,0,1,0,0|1,0,1]=4 3235 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [1,0,0,1,0,0|1,0,1]=4 3236 B9R1.84 CC(=O)NN=C1CCC1 4a_100000189765_100000241760 [1,0,0,1,0,0|2,0,0]=4 3237 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [1,0,0,1,0,0|1,0,0]=3 3238 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [1,0,0,1,0,0|0,0,2]=4 3239 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [1,0,0,1,0,0|1,0,1]=4 3240 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [1,0,0,1,0,0|1,0,1]=4 3241 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [1,0,0,1,0,0|1,0,1]=4 3242 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [1,0,0,1,0,0|1,0,1]=4 3243 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [1,0,0,1,0,0|1,0,1]=4 3244 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [1,0,0,1,0,0|1,0,1]=4 3245 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [1,0,0,1,0,0|1,0,1]=4 3246 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [1,0,0,1,0,0|2,0,0]=4 3247 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [1,0,0,1,0,0|1,0,0]=3 3248 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [1,0,0,1,0,0|1,0,0]=3 3249 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [1,0,0,1,0,0|1,0,1]=4 3250 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [0,1,0,1,0,0|1,0,1]=4 3251 B11R1.15 CCCC(=O)N1CNC(=O)C1 11a_200000708111_100000211992 [0,1,0,1,0,0|2,0,0]=4 3252 B11R1.15 CCCC(=O)N1CNC(=O)C1 1626a_200000708111_100000211992 [0,1,0,1,0,0|2,0,0]=4 3253 B11R1.15 CCCC(=O)N1CNC(=O)C1 240690a_200000708111_100000211992 [0,1,0,1,0,0|2,0,0]=4 3254 B11R1.15 CCCC(=O)N1CNC(=O)C1 527a_200000708111_100000211992 [0,1,0,1,0,0|2,0,0]=4 3255 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000070787_100000742232 [0,1,0,1,0,0|2,0,0]=4 3256 B11R1.90 CC(=O)CCN1CCCC1=O 1458a_100000751031_200000210301 [0,1,0,1,0,0|2,0,0]=4 3257 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,1,0,1,0,0|0,0,2]=4 3258 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,1,0,1,0,0|0,0,2]=4 3259 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,1,0,1,0,0|0,0,2]=4 3260 B11R1.90 CC(=O)OCN1CCSC1C 269982a_200011216479_100000076356 [0,1,0,1,0,0|1,0,1]=4 3261 B11R1.90 CC(=O)OCN1CCSC1C 34a_200011216479_100009813279 [0,1,0,1,0,0|1,0,1]=4 3262 B11R1.90 [13CH3]C(=O)CCN1CCCC1=O 1458a_100000751031_200025704644 [0,1,0,1,0,0|2,0,0]=4 3263 B11R1.120 CCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210303 [0,1,0,1,0,0|1,0,1]=4 3264 B11R1.154 CC(=O)OCCN1CC(C1)C 269982a_100000702820_100009814007 [0,1,0,1,0,0|1,0,1]=4 3265 B11R1.154 CC(=O)OCCN1CC(C1)C 34a_100000702820_100009814007 [0,1,0,1,0,0|1,0,1]=4 3266 B11R1.154 CC(=O)OCCN1CC(C1)F 269982a_100000690557_100009814007 [0,1,0,1,0,0|1,0,1]=4 3267 B11R1.154 CC(=O)OCCN1CC(C1)F 34a_100000690557_100009814007 [0,1,0,1,0,0|1,0,1]=4 3268 B11R1.154 CC(=O)OCCN1CC(C1)O 269982a_100000749847_100009814007 [0,1,0,1,0,0|1,0,1]=4 3269 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,1,0,1,0,0|1,0,1]=4 3270 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,1,0,1,0,0|1,0,1]=4 3271 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,1,0,1,0,0|1,0,1]=4 3272 B11R1.157 CC1=CC(CCC1)OC(C)C 34a_100011218613_100000210206 [0,1,0,1,0,0|1,0,1]=4 3273 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,1,0,1,0,0|1,0,1]=4 3274 B11R1.172 CC(=O)COCC1=NCCN1 34a_100000211253_100000737910 [0,1,0,1,0,0|2,0,0]=4 3275 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,1,0,1,0,0|0,0,2]=4 3276 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,1,0,1,0,0|1,0,1]=4 3277 B11R1.172 CC(=O)NN=CC1=CCCC1 4a_100000189765_100000702379 [0,1,0,1,0,0|1,0,1]=4 3278 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,1,0,1,0,0|0,0,2]=4 3279 B11R1.172 CC(=O)OCCN1CCSC1 269982a_100011215254_100009814007 [0,1,0,1,0,0|1,0,1]=4 3280 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,1,0,1,0,0|0,0,2]=4 3281 B11R1.172 CC(=O)OCN[C@H]1CCOC1 34a_100015188467_100009813279 [0,1,0,1,0,0|1,0,1]=4 3282 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,1,0,1,0,0|0,0,2]=4 3283 B11R1.172 CC(=O)OCOC1CCCO1 34a_100000085407_100009813279 [0,1,0,1,0,0|1,0,1]=4 3284 B11R1.172 CC(=O)OCO[C@H]1CCOC1 34a_100000717292_100009813279 [0,1,0,1,0,0|1,0,1]=4 3285 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,1,0,1,0,0|0,0,2]=4 3286 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,1,0,1,0,0|0,0,2]=4 3287 B11R1.172 CC(=O)OCSC1CCOC1 62a_100000076356_100000690089 [0,1,0,1,0,0|1,0,1]=4 3288 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,1,0,1,0,0|1,0,1]=4 3289 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,1,0,1,0,0|1,0,1]=4 3290 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,1,0,1,0,0|1,0,1]=4 3291 B11R1.720 CC(=O)NCCC(=O)C1CC1 1458a_100000210395_100000189650 [0,1,0,1,0,0|1,0,1]=4 3292 B11R1.720 CC(=O)OCCC(=O)C1CC1 1458a_100000210395_100009814007 [0,1,0,1,0,0|0,0,1]=3 3293 B11R1.720 CC(=O)OCCC(=O)C1CO1 1458a_100000701028_100009814007 [0,1,0,1,0,0|1,0,1]=4 3294 B11R1.720 CC(=O)OCCN(C)C1CC1 269982a_100000226674_100009814007 [0,1,0,1,0,0|1,0,1]=4 3295 B11R1.720 CC(=O)OCNC(C)C1CC1 34a_100000700016_100009813279 [0,1,0,1,0,0|1,0,1]=4 3296 B11R1.720 CC(=O)OCOC(C)C1CC1 34a_100000744524_100009813279 [0,1,0,1,0,0|1,0,1]=4 3297 B11R1.720 NC(=O)OCCC(=O)C1CC1 1458a_100000210395_200011214921 [0,1,0,1,0,0|1,0,1]=4 3298 B11R1.924 CC(=O)OCNC1(CCC1)C 34a_100000692455_100009813279 [0,1,0,1,0,0|1,0,1]=4 3299 B11R1.924 CC(=O)OCOC1(CCC1)C 34a_100000759064_100009813279 [0,1,0,1,0,0|1,0,1]=4 3300 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|0,0,2]=4 3301 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,1,0,1,0,0|1,0,1]=4 3302 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,1,0,1,0,0|1,0,1]=4 3303 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,1,0,1,0,0|1,0,1]=4 3304 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,1,0,0|1,0,1]=4 3305 B11R1.27 CCCC=Cc1nnc(o1)C 271570a_100016258520_100000708914 [0,1,0,1,0,0|1,0,1]=4 3306 B11R1.27 CCCC=Cc1noc(n1)C 271570a_100016258520_100012003639 [0,1,0,1,0,0|1,0,1]=4 3307 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,1,0,1,0,0|1,0,1]=4 3308 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,1,0,1,0,0|1,0,1]=4 3309 B11R1.27 CCCNN=C1C=C(OC1)C 4a_100000740057_200009860027 [0,1,0,1,0,0|2,0,0]=4 3310 B11R1.27 CCCNN=C1COC(=O)C1 4a_100000740057_100000211896 [0,1,0,1,0,0|1,0,0]=3 3311 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,1,0,1,0,0|0,0,2]=4 3312 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,1,0,1,0,0|1,0,1]=4 3313 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,1,0,1,0,0|1,0,1]=4 3314 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,1,0,1,0,0|1,0,1]=4 3315 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,1,0,1,0,0|0,0,2]=4 3316 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,1,0,1,0,0|0,0,2]=4 3317 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,1,0,1,0,0|1,0,1]=4 3318 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,1,0,1,0,0|1,0,1]=4 3319 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,1,0,1,0,0|1,0,1]=4 3320 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,1,0,1,0,0|1,0,1]=4 3321 B11R1.27 O=C1CC(=NNCCO)CO1 4a_100000210001_100000211896 [0,1,0,1,0,0|2,0,0]=4 3322 B11R1.53 CN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200000210301 [0,1,0,1,0,0|2,0,0]=4 3323 B11R1.53 [13CH3]N[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200025704644 [0,1,0,1,0,0|2,0,0]=4 3324 B11R1.57 C=C(C)CN1CC=CC1CC 2230a_100000730860_100000748629 [0,1,0,1,0,0|2,0,0]=4 3325 B11R1.57 C=C(C)CN1CC=CC1CC 269982a_100000730860_100000748629 [0,1,0,1,0,0|2,0,0]=4 3326 B11R1.57 C=C(C)CN1CC=CC1CC 34a_100000730860_100000748629 [0,1,0,1,0,0|2,0,0]=4 3327 B11R1.57 CCC1C=CCN1CC(=O)N 2230a_100000730860_100000747473 [0,1,0,1,0,0|2,0,0]=4 3328 B11R1.57 CCC1C=CCN1CC(=O)N 269982a_100000730860_100000187820 [0,1,0,1,0,0|2,0,0]=4 3329 B11R1.57 CCC1C=CCN1CC(=O)N 34a_100000730860_100000187820 [0,1,0,1,0,0|2,0,0]=4 3330 B11R1.57 CCC1C=CCN1CC(=O)[O-] 269982a_100000730860_100020667443 [0,1,0,1,0,0|2,0,0]=4 3331 B11R1.57 CCC1C=CCN1CC(=O)[O-] 34a_100000730860_100020667443 [0,1,0,1,0,0|2,0,0]=4 3332 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 3333 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 3334 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 3335 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,1,0,1,0,0|2,0,0]=4 3336 B11R1.91 C=C(C)COC1C=CCCC1 34a_100011215024_100000748629 [0,1,0,1,0,0|1,0,0]=3 3337 B11R1.91 C=C(C)CSC1C=CCCC1 62a_100000748629_100000751183 [0,1,0,1,0,0|1,1,0]=4 3338 B11R1.91 C=C(C)CSC1C=CCCC1 62a_100000751183_100000211660 [0,1,0,1,0,0|1,1,0]=4 3339 B11R1.91 C=C(F)COC1C=CCCC1 34a_100011215024_100009893438 [0,1,0,1,0,0|1,0,1]=4 3340 B11R1.91 CC(=O)C=CC1=CCCCC1 1458a_100016289660_200000210301 [0,1,0,1,0,0|1,0,1]=4 3341 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,1,0,1,0,0|0,0,2]=4 3342 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,1,0,1,0,0|0,0,2]=4 3343 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,1,0,1,0,0|0,0,2]=4 3344 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,1,0,1,0,0|1,0,1]=4 3345 B11R1.91 CC(=O)NN=C1C=CCCC1 4a_100000189765_100011213375 [0,1,0,1,0,0|1,0,1]=4 3346 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [0,1,0,1,0,0|0,0,2]=4 3347 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [0,1,0,1,0,0|0,0,2]=4 3348 B11R1.91 CC(=O)OCN1CCCOC1 269982a_100000131196_100000076356 [0,1,0,1,0,0|1,0,1]=4 3349 B11R1.91 CC(=O)OCN1CCCOC1 34a_100000131196_100009813279 [0,1,0,1,0,0|1,0,1]=4 3350 B11R1.91 CC(=O)OCN1CCOCC1 269982a_100015191051_100000076356 [0,1,0,1,0,0|1,0,1]=4 3351 B11R1.91 CC(=O)OCN1CCOCC1 34a_100015191051_100009813279 [0,1,0,1,0,0|1,0,1]=4 3352 B11R1.91 CC(=O)OCN1CCSCC1 269982a_100000737611_100000076356 [0,1,0,1,0,0|1,0,1]=4 3353 B11R1.91 CC(C)COC1C=CCCC1 34a_100011215024_100000210624 [0,1,0,1,0,0|1,0,1]=4 3354 B11R1.91 CC(O)COC1C=CCCC1 34a_100011215024_100011218427 [0,1,0,1,0,0|0,0,2]=4 3355 B11R1.91 C[C@@H](O)COC1C=CCCC1 34a_100011215024_100009817552 [0,1,0,1,0,0|0,0,2]=4 3356 B11R1.91 NC(=O)CNC1C=CCCC1 2230a_100000711301_100000751183 [0,1,0,1,0,0|2,0,0]=4 3357 B11R1.91 NC(=O)COC1C=CCCC1 34a_100011215024_100000187820 [0,1,0,1,0,0|1,0,0]=3 3358 B11R1.91 NC(=O)CSC1C=CCCC1 62a_100000747473_100000751183 [0,1,0,1,0,0|1,1,0]=4 3359 B11R1.91 NC(=O)CSC1C=CCCC1 62a_100000751183_100000747473 [0,1,0,1,0,0|1,1,0]=4 3360 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [0,1,0,1,0,0|2,0,0]=4 3361 B11R1.91 O=C([O-])COC1C=CCCC1 34a_100011215024_100020667443 [0,1,0,1,0,0|1,0,0]=3 3362 B11R1.91 O=C([O-])CSC1C=CCCC1 62a_100000751183_100020667443 [0,1,0,1,0,0|1,1,0]=4 3363 B11R1.91 O=C([O-])CSC1C=CCCC1 62a_100020667443_100000751183 [0,1,0,1,0,0|1,1,0]=4 3364 B11R1.91 O=[N+]([O-])COC1C=CCCC1 34a_100011215024_100000761209 [0,1,0,1,0,0|2,0,0]=4 3365 B11R1.91 [13CH3]C(=O)C=CC1=CCCCC1 1458a_100016289660_200025704644 [0,1,0,1,0,0|1,0,1]=4 3366 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,1,0,1,0,0|0,0,2]=4 3367 B11R1.99 CCC/C=C/COCC1CC1 34a_100016278788_100000742324 [0,1,0,1,0,0|1,0,1]=4 3368 B11R1.99 CCC/C=C/COCC1CC1 7a_100016278788_100000742324 [0,1,0,1,0,0|1,0,1]=4 3369 B11R1.99 CCC/C=C/COCC1CO1 34a_100016278788_102125554688 [0,1,0,1,0,0|0,0,2]=4 3370 B11R1.99 CCC/C=C/COCC1CO1 7a_100016278788_102125554688 [0,1,0,1,0,0|0,0,2]=4 3371 B11R1.99 CCC/C=C/COCC1CS1 7a_100016278788_100000031435 [0,1,0,1,0,0|0,1,1]=4 3372 B11R1.99 CCC/C=C/COC[C@@H]1CO1 7a_100016278788_100000745022 [0,1,0,1,0,0|0,0,2]=4 3373 B11R1.99 CCCC/C=C/COC1CC1 34a_200016272032_100000211595 [0,1,0,1,0,0|1,0,1]=4 3374 B11R1.102 CC(=O)OCCN[C@@H]1C[C@H]1F 34a_100025746932_100009814007 [0,1,0,1,0,0|1,0,1]=4 3375 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,1,0,1,0,0|0,0,2]=4 3376 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [0,1,0,1,0,0|0,0,2]=4 3377 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [0,1,0,1,0,0|0,0,2]=4 3378 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [0,1,0,1,0,0|0,0,2]=4 3379 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [0,1,0,1,0,0|0,0,2]=4 3380 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,1,0,1,0,0|0,0,2]=4 3381 B11R1.174 CC(=O)OCCOC1CSC1 7a_100000072292_100009814007 [0,1,0,1,0,0|1,0,1]=4 3382 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [0,1,0,1,0,0|0,0,2]=4 3383 B11R1.174 CC(=O)OCCSC1COC1 62a_100009814007_100009818527 [0,1,0,1,0,0|1,0,1]=4 3384 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [0,1,0,1,0,0|0,0,2]=4 3385 B11R1.174 CC(=O)OCNCC1COC1 34a_100015281925_100009813279 [0,1,0,1,0,0|1,0,1]=4 3386 B11R1.174 CC(=O)OCNC[C@@H]1CCO1 34a_100020831831_100009813279 [0,1,0,1,0,0|1,0,1]=4 3387 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,1,0,1,0,0|0,0,2]=4 3388 B11R1.174 CC(=O)OCOCC1CCO1 34a_100000039022_100009813279 [0,1,0,1,0,0|1,0,1]=4 3389 B11R1.174 CC(=O)OCOCC1CNC1 34a_100016987283_100009813279 [0,1,0,1,0,0|1,0,1]=4 3390 B11R1.174 CC(=O)OCOCC1COC1 34a_100000060846_100009813279 [0,1,0,1,0,0|1,0,1]=4 3391 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [0,1,0,1,0,0|0,0,2]=4 3392 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [0,1,0,1,0,0|0,0,2]=4 3393 B11R1.174 CC(=O)OCSCC1CCO1 62a_100000076356_100000103362 [0,1,0,1,0,0|1,0,1]=4 3394 B11R1.174 CC(=O)OCSCC1CCO1 62a_100000103362_100000076356 [0,1,0,1,0,0|1,0,1]=4 3395 B11R1.174 CC(=O)OCSCC1COC1 62a_100000076356_100010264016 [0,1,0,1,0,0|1,0,1]=4 3396 B11R1.174 CC(=O)OCSCC1COC1 62a_100010264016_100000076356 [0,1,0,1,0,0|1,0,1]=4 3397 B11R1.176 CC(=O)COCC#CC1CC1 34a_100000211253_100009895102 [0,1,0,1,0,0|0,0,2]=4 3398 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [0,1,0,1,0,0|0,0,2]=4 3399 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [0,1,0,1,0,0|0,0,2]=4 3400 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [0,1,0,1,0,0|0,0,2]=4 3401 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,1,0,1,0,0|0,0,2]=4 3402 B11R1.176 CC(=O)OCCOC[C@@H]1CO1 34a_100000757423_100009814007 [0,1,0,1,0,0|1,0,1]=4 3403 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [0,1,0,1,0,0|0,0,2]=4 3404 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [0,1,0,1,0,0|0,0,2]=4 3405 B11R1.176 CC(=O)OCCSCC1CO1 62a_100009814007_102125554688 [0,1,0,1,0,0|1,0,1]=4 3406 B11R1.176 CC(=O)OCCSCC1CO1 62a_102125554688_100009814007 [0,1,0,1,0,0|1,0,1]=4 3407 B11R1.176 CC(=O)OCCSCC1CS1 62a_100000031435_100009814007 [0,1,0,1,0,0|1,0,1]=4 3408 B11R1.176 CC(=O)OCCSCC1CS1 62a_100009814007_100000031435 [0,1,0,1,0,0|1,0,1]=4 3409 B11R1.176 CC(=O)OCCSC[C@@H]1CO1 62a_100000745022_100009814007 [0,1,0,1,0,0|1,0,1]=4 3410 B11R1.176 CC(=O)OCCSC[C@@H]1CO1 62a_100009814007_100000745022 [0,1,0,1,0,0|1,0,1]=4 3411 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [0,1,0,1,0,0|0,0,2]=4 3412 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,1,0,1,0,0|0,0,2]=4 3413 B11R1.176 CC(=O)OCOCC[C@@H]1CO1 34a_100009820653_100009813279 [0,1,0,1,0,0|1,0,1]=4 3414 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [0,1,0,1,0,0|0,0,2]=4 3415 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [0,1,0,1,0,0|0,0,2]=4 3416 B11R1.176 CC(=O)OCSCCC1CO1 62a_100000076356_100000732470 [0,1,0,1,0,0|1,0,1]=4 3417 B11R1.176 CC(=O)OCSCCC1CO1 62a_100000732470_100000076356 [0,1,0,1,0,0|1,0,1]=4 3418 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|1,0,0]=3 3419 B11R1.43 CC(=O)N[C@H]1C=C[C@H](C1)CO 11a_100020646542_100015343762 [0,1,0,1,0,0|2,0,0]=4 3420 B11R1.43 CC(=O)N[C@H]1C=C[C@H](C1)CO 240690a_100020646542_100015343762 [0,1,0,1,0,0|2,0,0]=4 3421 B11R1.43 CC(=O)N[C@H]1C=C[C@H](C1)CO 527a_100020646542_100103153847 [0,1,0,1,0,0|2,0,0]=4 3422 B11R1.77 CC(=O)OC(C)N1CCCC1 269982a_100000188435_100009818208 [0,1,0,1,0,0|1,0,1]=4 3423 B11R1.141 CC(=O)OC(C)N1CCC1C 269982a_100000755817_100009818208 [0,1,0,1,0,0|1,0,1]=4 3424 B11R1.484 CC(=O)OC(C)SC1CCC1 62a_100009818208_100000749161 [0,1,0,1,0,0|1,0,1]=4 3425 B11R1.485 CC(=O)OC(C)SCC1CC1 62a_100000756562_100009818208 [0,1,0,1,0,0|1,0,1]=4 3426 B11R1.485 CC(=O)OC(C)SCC1CC1 62a_100009818208_100000742324 [0,1,0,1,0,0|1,0,1]=4 3427 B11R1.58 CCC1C=CCN1S(=O)(=O)C 40a_100000730860_100000738038 [0,1,0,1,0,0|2,0,0]=4 3428 B11R1.509 CC(C)(C)OC1C=CCCC1 34a_100011215024_100000210625 [0,1,0,1,0,0|1,0,1]=4 3429 B11R1.509 CC(C)(C)OC1C=CCCC1 7a_100015890283_100000751183 [0,1,0,1,0,0|1,0,1]=4 3430 B11R1.23 CCC(C)N1CCOC(=O)C1 2230a_100000131268_100000758301 [0,1,0,1,0,0|1,0,1]=4 3431 B11R1.75 CC(=O)OCN1CCC(C1)O 269982a_100011215560_100000076356 [0,1,0,1,0,0|1,0,1]=4 3432 B11R1.75 CC(=O)OCN1CC[C@@H](C1)F 269982a_100015203821_100000076356 [0,1,0,1,0,0|1,0,1]=4 3433 B11R1.75 CC(=O)OCN1CC[C@@H](C1)F 34a_100015203821_100009813279 [0,1,0,1,0,0|1,0,1]=4 3434 B11R1.75 CC(=O)OCN1CC[C@H](C1)C 269982a_100016987628_100000076356 [0,1,0,1,0,0|1,0,1]=4 3435 B11R1.75 CC(=O)OCN1CC[C@H](C1)C 34a_100016987628_100009813279 [0,1,0,1,0,0|1,0,1]=4 3436 B11R1.75 CC(C)NN=C1COC(=O)C1 4a_100000741168_100000211896 [0,1,0,1,0,0|2,0,0]=4 3437 B11R1.147 CC(=O)OCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000076356 [0,1,0,1,0,0|1,0,1]=4 3438 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,1,0,1,0,0|1,0,1]=4 3439 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,1,0,1,0,0|1,0,1]=4 3440 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,1,0,1,0,0|1,0,1]=4 3441 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [0,1,0,1,0,0|1,0,1]=4 3442 B11R1.262 CCC1CN(C1)COC(=O)C 269982a_100015205115_100000076356 [0,1,0,1,0,0|1,0,1]=4 3443 B11R1.717 CC(=O)OCCOC1(CC1)C 7a_100011725673_100009814007 [0,1,0,1,0,0|1,0,1]=4 3444 B11R1.717 CC(=O)OCOCC1(CC1)F 34a_200000703853_100009813279 [0,1,0,1,0,0|1,0,1]=4 3445 B11R1.25 CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210202 [0,1,0,1,0,0|1,0,1]=4 3446 B11R1.25 CNC(=O)C=CC1=CCCC1 11a_106832991635_100016262312 [0,1,0,1,0,0|1,0,1]=4 3447 B11R1.25 CNC(=O)C=CC1=CCCC1 1626a_100102657272_100016262312 [0,1,0,1,0,0|1,0,1]=4 3448 B11R1.25 CNC(=O)C=CC1=CCCC1 240690a_100102657272_100016262312 [0,1,0,1,0,0|1,0,1]=4 3449 B11R1.25 O=C(C=CC1=CCCC1)CF 1458a_100016262312_100015361967 [0,1,0,1,0,0|1,0,1]=4 3450 B11R1.40 C#CC(C)OC1C=CCCC1 34a_100011215024_200000035995 [0,1,0,1,0,0|1,0,1]=4 3451 B11R1.40 C#C[C@@H](C)OC1C=CCCC1 7a_100009815206_100000751183 [0,1,0,1,0,0|1,0,1]=4 3452 B11R1.40 CC(CF)OC1C=CCCC1 7a_100016041109_100000751183 [0,1,0,1,0,0|1,0,1]=4 3453 B11R1.40 CC(CO)OC1C=CCCC1 34a_100011215024_100012180447 [0,1,0,1,0,0|0,0,2]=4 3454 B11R1.40 CCC(C)OC1C=CCCC1 34a_100011215024_100011215416 [0,1,0,1,0,0|1,0,1]=4 3455 B11R1.40 CCC(C)OC1C=CCCC1 7a_100000210228_100000751183 [0,1,0,1,0,0|1,0,1]=4 3456 B11R1.47 CCC/C=C/COC1CCC1 34a_100016278788_100000749161 [0,1,0,1,0,0|1,0,1]=4 3457 B11R1.47 CCC/C=C/COC1COC1 34a_100016278788_100009818527 [0,1,0,1,0,0|0,0,2]=4 3458 B11R1.47 CCC/C=C/COC1COC1 7a_100016278788_100009818527 [0,1,0,1,0,0|0,0,2]=4 3459 B11R1.59 C=CC(=O)N1CC=CC1CC 1626a_100000730860_100000185746 [0,1,0,1,0,0|1,0,1]=4 3460 B11R1.59 C=CC(=O)N1CC=CC1CC 240690a_100000730860_200121576911 [0,1,0,1,0,0|1,0,1]=4 3461 B11R1.59 CCC(=O)N1CC=CC1CC 11a_100000730860_100000210414 [0,1,0,1,0,0|1,0,0]=3 3462 B11R1.59 CCC(=O)N1CC=CC1CC 1626a_100000730860_100000210414 [0,1,0,1,0,0|1,0,0]=3 3463 B11R1.59 CCC(=O)N1CC=CC1CC 240690a_100000730860_100000210414 [0,1,0,1,0,0|1,0,0]=3 3464 B11R1.59 CCC(=O)N1CC=CC1CC 527a_100000730860_100000210414 [0,1,0,1,0,0|1,0,0]=3 3465 B11R1.59 CCC1C=CCN1C(=O)CO 240690a_100000730860_100000210174 [0,1,0,1,0,0|1,0,0]=3 3466 B11R1.59 CCC1C=CCN1C(=O)CO 527a_100000730860_100000210174 [0,1,0,1,0,0|1,0,0]=3 3467 B11R1.59 CCC1C=CCN1C(=O)NC 2708a_100102657272_100000730860 [0,1,0,1,0,0|1,0,0]=3 3468 B11R1.59 CCC1C=CCN1C(=O)NC 273464a_100102657272_100000730860 [0,1,0,1,0,0|1,0,0]=3 3469 B11R1.212 CCNN=C1COC(=O)C1C 4a_100000756455_200009850584 [0,1,0,1,0,0|2,0,0]=4 3470 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,1,0,1,0,0|1,0,1]=4 3471 B11R1.36 C=C(C)C(=O)C1C=CCCC1 1458a_100000185857_100000751183 [0,1,0,1,0,0|2,0,0]=4 3472 B11R1.497 CC(=O)N1CCCNC(=O)C1 11a_100015190381_100015343762 [0,1,0,1,0,0|2,0,0]=4 3473 B11R1.497 CC(=O)N1CCCNC(=O)C1 1626a_100015190381_100015343762 [0,1,0,1,0,0|2,0,0]=4 3474 B11R1.497 CC(=O)N1CCCNC(=O)C1 240690a_100015190381_100015343762 [0,1,0,1,0,0|2,0,0]=4 3475 B11R1.497 CC(=O)N1CCCNC(=O)C1 527a_100015190381_100103153847 [0,1,0,1,0,0|2,0,0]=4 3476 B11R1.287 CCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210211 [0,1,0,1,0,0|1,0,1]=4 3477 B11R1.287 CCCNC(=O)[C@@H]1CC(=O)N1 527a_100020643023_100016090685 [0,1,0,1,0,0|2,0,0]=4 3478 B11R1.346 CC(=O)NCC(=O)C1CCC1 1458a_100000194580_100000749161 [0,1,0,1,0,0|1,0,1]=4 3479 B11R1.346 CC(=O)NCC(=O)N1CCC1 11a_100000754969_100000194580 [0,1,0,1,0,0|2,0,0]=4 3480 B11R1.346 CC(=O)NCC(=O)N1CCC1 240690a_100000754969_100000194580 [0,1,0,1,0,0|2,0,0]=4 3481 B11R1.346 CC(=O)NCC(=O)N1CCC1 527a_100000754969_100000194580 [0,1,0,1,0,0|2,0,0]=4 3482 B11R1.346 CC(=O)OCC(=O)C1CCC1 1458a_100000183556_100000749161 [0,1,0,1,0,0|0,0,1]=3 3483 B11R1.346 CC(=O)OCC(=O)C1COC1 1458a_100000183556_100000687716 [0,1,0,1,0,0|1,0,1]=4 3484 B11R1.346 CC(=O)OCC(=O)N1CCC1 240690a_100000754969_100000183556 [0,1,0,1,0,0|1,0,0]=3 3485 B11R1.346 CC(=O)OCC(=O)N1CCC1 527a_100000754969_100000183556 [0,1,0,1,0,0|1,0,0]=3 3486 B11R1.346 CC(=O)OCN(C)C1CCC1 269982a_100000758072_100000076356 [0,1,0,1,0,0|1,0,1]=4 3487 B11R1.346 CC(=O)OCN(C)C1CCC1 34a_100000758072_100009813279 [0,1,0,1,0,0|1,0,1]=4 3488 B11R1.346 CC(=O)SCC(=O)C1CCC1 1458a_100000049016_100000749161 [0,1,0,1,0,0|0,1,1]=4 3489 B11R1.346 CC(=O)SCC(=O)N1CCC1 11a_100000754969_100000049016 [0,1,0,1,0,0|1,1,0]=4 3490 B11R1.346 CC(=O)SCC(=O)N1CCC1 240690a_100000754969_100000049016 [0,1,0,1,0,0|1,1,0]=4 3491 B11R1.348 CC(=O)NCC(=O)CC1CC1 1458a_100000194580_100000742324 [0,1,0,1,0,0|1,0,1]=4 3492 B11R1.348 CC(=O)NCC(=O)NC1CC1 11a_100000702991_100015343762 [0,1,0,1,0,0|2,0,0]=4 3493 B11R1.348 CC(=O)NCC(=O)NC1CC1 1626a_100000212008_100000194580 [0,1,0,1,0,0|2,0,0]=4 3494 B11R1.348 CC(=O)NCC(=O)NC1CC1 1626a_100000702991_100015343762 [0,1,0,1,0,0|2,0,0]=4 3495 B11R1.348 CC(=O)NCC(=O)NC1CC1 240690a_100000212008_100000194580 [0,1,0,1,0,0|2,0,0]=4 3496 B11R1.348 CC(=O)NCC(=O)NC1CC1 240690a_100000702991_100015343762 [0,1,0,1,0,0|2,0,0]=4 3497 B11R1.348 CC(=O)NCC(=O)NC1CC1 527a_100000212008_100000194580 [0,1,0,1,0,0|2,0,0]=4 3498 B11R1.348 CC(=O)NCC(=O)NC1CC1 527a_100000702991_100103153847 [0,1,0,1,0,0|2,0,0]=4 3499 B11R1.348 CC(=O)OCC(=O)CC1CC1 1458a_100000183556_100000742324 [0,1,0,1,0,0|0,0,1]=3 3500 B11R1.348 CC(=O)OCC(=O)CC1CO1 1458a_100000183556_100011216344 [0,1,0,1,0,0|1,0,1]=4 3501 B11R1.348 CC(=O)OCC(=O)CC1CS1 1458a_100000183556_100000031435 [0,1,0,1,0,0|1,0,1]=4 3502 B11R1.348 CC(=O)OCC(=O)C[C@@H]1CO1 1458a_100000183556_100000745022 [0,1,0,1,0,0|1,0,1]=4 3503 B11R1.348 CC(=O)OCC(=O)NC1CC1 1626a_100000212008_100000183556 [0,1,0,1,0,0|1,0,0]=3 3504 B11R1.348 CC(=O)OCC(=O)NC1CC1 240690a_100000212008_100000183556 [0,1,0,1,0,0|1,0,0]=3 3505 B11R1.348 CC(=O)OCC(=O)NC1CC1 527a_100000212008_100000183556 [0,1,0,1,0,0|1,0,0]=3 3506 B11R1.348 CC(=O)OCN(C)CC1CC1 269982a_100000741881_100000076356 [0,1,0,1,0,0|1,0,1]=4 3507 B11R1.348 CC(=O)SCC(=O)CC1CC1 1458a_100000049016_100000742324 [0,1,0,1,0,0|0,1,1]=4 3508 B11R1.348 CC(=O)SCC(=O)NC1CC1 1626a_100000212008_100000049016 [0,1,0,1,0,0|1,1,0]=4 3509 B11R1.348 CC(=O)SCC(=O)NC1CC1 240690a_100000212008_100000049016 [0,1,0,1,0,0|1,1,0]=4 3510 B11R2.238 C1=CC(CCC1)OC2CC2 34a_100011215024_100000211595 [0,0,0,2,0,0|1,0,1]=4