0 B13R0.398 C#CCCOC(C)C(=O)OCCCC 34a_100000038973_100000688953 [0,0,0,0,0,0|1,0,3]=4 1 B13R0.398 C#CCCOC(C)C(=O)OCCCC 34a_100011215631_100000759602 [0,0,0,0,0,0|1,0,3]=4 2 B13R0.398 C#CCCOC(C)C(=O)OCCCC 7a_100000038973_100000688953 [0,0,0,0,0,0|1,0,3]=4 3 B13R0.398 C/C=C/COC(C)C(=O)OCCCC 34a_100000038973_100102629194 [0,0,0,0,0,0|1,0,3]=4 4 B13R0.398 C/C=C/COC(C)C(=O)OCCCC 34a_100016270725_100000759602 [0,0,0,0,0,0|1,0,3]=4 5 B13R0.398 C/C=C/COC(C)C(=O)OCCCC 7a_100000038973_100102629194 [0,0,0,0,0,0|1,0,3]=4 6 B13R0.398 C=CCCOC(C)C(=O)OCCCC 34a_100000038973_100000754431 [0,0,0,0,0,0|1,0,3]=4 7 B13R0.398 C=CCCOC(C)C(=O)OCCCC 34a_100011205117_100000759602 [0,0,0,0,0,0|1,0,3]=4 8 B13R0.398 C=CCCOC(C)C(=O)OCCCC 7a_100000038973_100000754431 [0,0,0,0,0,0|1,0,3]=4 9 B13R0.398 CC#CCOC(C)C(=O)OCCCC 34a_100000038973_100000748600 [0,0,0,0,0,0|1,0,3]=4 10 B13R0.398 CC#CCOC(C)C(=O)OCCCC 34a_100000761923_100000759602 [0,0,0,0,0,0|1,0,3]=4 11 B13R0.398 CC#CCOC(C)C(=O)OCCCC 7a_100000038973_100000748600 [0,0,0,0,0,0|1,0,3]=4 12 B13R0.398 CC=CCOC(C)C(=O)OCCCC 34a_100000038973_100000070051 [0,0,0,0,0,0|1,0,3]=4 13 B13R0.398 CC=CCOC(C)C(=O)OCCCC 7a_100000038973_100000070051 [0,0,0,0,0,0|1,0,3]=4 14 B13R0.398 CCCCCC(=O)C(C)CCCCC 1458a_100000212188_200011218191 [0,0,0,0,0,0|3,0,1]=4 15 B13R0.398 CCCCCC(=O)C(C)CCCCC 1458a_100011215998_100000210326 [0,0,0,0,0,0|3,0,1]=4 16 B13R0.398 CCCCCC(=O)C(C)SCCCC 1458a_100000191163_100000210326 [0,0,0,0,0,0|2,1,1]=4 17 B13R0.398 CCCCCC(=O)N(C)CCCCC 11a_100000223495_100000212188 [0,0,0,0,0,0|4,0,0]=4 18 B13R0.398 CCCCCC(=O)N(C)CCCCC 1626a_100000223495_100000212188 [0,0,0,0,0,0|4,0,0]=4 19 B13R0.398 CCCCCC(=O)N(C)CCCCC 240690a_100000223495_100000212188 [0,0,0,0,0,0|4,0,0]=4 20 B13R0.398 CCCCCC(=O)N(C)CCCCC 527a_100000223495_100000212188 [0,0,0,0,0,0|4,0,0]=4 21 B13R0.398 CCCCCC(C)C(=O)NCCCC 11a_100000102301_100011215998 [0,0,0,0,0,0|3,0,1]=4 22 B13R0.398 CCCCCC(C)C(=O)NCCCC 1626a_100000102301_100011215998 [0,0,0,0,0,0|3,0,1]=4 23 B13R0.398 CCCCCC(C)C(=O)NCCCC 240690a_100000102301_100011215998 [0,0,0,0,0,0|3,0,1]=4 24 B13R0.398 CCCCCC(C)C(=O)NCCCC 527a_100000102301_100011215998 [0,0,0,0,0,0|3,0,1]=4 25 B13R0.398 CCCCCN(C)C(=O)NCCCC 2708a_100000102301_100000223495 [0,0,0,0,0,0|4,0,0]=4 26 B13R0.398 CCCCCN(C)C(=O)NCCCC 273464a_100000102301_100000223495 [0,0,0,0,0,0|4,0,0]=4 27 B13R0.398 CCCCNC(=O)C(C)NCCCC 2230a_100000102301_100000735917 [0,0,0,0,0,0|3,0,1]=4 28 B13R0.398 CCCCNC(=O)C(C)NCCCC 7a_106832991798_100000735917 [0,0,0,0,0,0|3,0,1]=4 29 B13R0.398 CCCCNC(=O)C(C)OCCCBr 34a_100011217188_100000735917 [0,0,0,0,0,0|3,0,1]=4 30 B13R0.398 CCCCNC(=O)C(C)OCCCC 34a_100000210227_100000735917 [0,0,0,0,0,0|2,0,1]=3 31 B13R0.398 CCCCNC(=O)C(C)OCCCC 7a_100000210227_100000735917 [0,0,0,0,0,0|2,0,1]=3 32 B13R0.398 CCCCNC(=O)C(C)OCCCCl 34a_100000230001_100000735917 [0,0,0,0,0,0|3,0,1]=4 33 B13R0.398 CCCCNC(=O)C(C)OCCCF 34a_100000759539_100000735917 [0,0,0,0,0,0|3,0,1]=4 34 B13R0.398 CCCCNC(=O)C(C)OCCCN 34a_100000182051_100000735917 [0,0,0,0,0,0|3,0,1]=4 35 B13R0.398 CCCCNC(=O)C(C)OCCOC 34a_100000210237_100000735917 [0,0,0,0,0,0|3,0,1]=4 36 B13R0.398 CCCCNC(=O)C(C)OCCSC 34a_100000230434_100000735917 [0,0,0,0,0,0|3,0,1]=4 37 B13R0.398 CCCCNC(=O)C(C)OCCSC 7a_100000230434_100000735917 [0,0,0,0,0,0|3,0,1]=4 38 B13R0.398 CCCCNC(=O)C(C)SCCCC 11a_100000102301_100000191163 [0,0,0,0,0,0|2,1,1]=4 39 B13R0.398 CCCCNC(=O)C(C)SCCCC 1626a_100000102301_100000191163 [0,0,0,0,0,0|2,1,1]=4 40 B13R0.398 CCCCNC(=O)C(C)SCCCC 240690a_100000102301_100000191163 [0,0,0,0,0,0|2,1,1]=4 41 B13R0.398 CCCCNC(=O)C(C)SCCCC 527a_100000102301_100000191163 [0,0,0,0,0,0|2,1,1]=4 42 B13R0.398 CCCCNC(=O)C(C)SCCCC 62a_100000210211_100000735917 [0,0,0,0,0,0|2,1,1]=4 43 B13R0.398 CCCCNC(=O)C(C)SCCCC 62a_100000735917_100000210210 [0,0,0,0,0,0|2,1,1]=4 44 B13R0.398 CCCCNC(C)C(=O)OCCCC 2230a_100000102301_100000759602 [0,0,0,0,0,0|2,0,1]=3 45 B13R0.398 CCCCNC(C)C(=O)OCCCC 7a_106832991798_100000759602 [0,0,0,0,0,0|2,0,1]=3 46 B13R0.398 CCCCOC(=O)C(C)NCCCF 2230a_100015189416_100000759602 [0,0,0,0,0,0|3,0,1]=4 47 B13R0.398 CCCCOC(=O)C(C)NCCCF 34a_100015189416_100000759602 [0,0,0,0,0,0|3,0,1]=4 48 B13R0.398 CCCCOC(=O)C(C)NCCOC 2230a_100000209980_100000759602 [0,0,0,0,0,0|3,0,1]=4 49 B13R0.398 CCCCOC(=O)C(C)NCCSC 2230a_100020590264_100000759602 [0,0,0,0,0,0|3,0,1]=4 50 B13R0.398 CCCCOC(=O)C(C)OCCC#N 7a_100000038973_100000184422 [0,0,0,0,0,0|2,0,2]=4 51 B13R0.398 CCCCOC(=O)C(C)OCCCBr 34a_100011217188_100000759602 [0,0,0,0,0,0|2,0,1]=3 52 B13R0.398 CCCCOC(=O)C(C)OCCCC 34a_100000038973_100000210210 [0,0,0,0,0,0|1,0,1]=2 53 B13R0.398 CCCCOC(=O)C(C)OCCCC 34a_100000210227_100000759602 [0,0,0,0,0,0|1,0,1]=2 54 B13R0.398 CCCCOC(=O)C(C)OCCCC 7a_100000038973_100000210211 [0,0,0,0,0,0|1,0,1]=2 55 B13R0.398 CCCCOC(=O)C(C)OCCCC 7a_100000210227_100000759602 [0,0,0,0,0,0|1,0,1]=2 56 B13R0.398 CCCCOC(=O)C(C)OCCCCl 34a_100000230001_100000759602 [0,0,0,0,0,0|2,0,1]=3 57 B13R0.398 CCCCOC(=O)C(C)OCCCF 34a_100000038973_100011934791 [0,0,0,0,0,0|2,0,1]=3 58 B13R0.398 CCCCOC(=O)C(C)OCCCF 34a_100000759539_100000759602 [0,0,0,0,0,0|2,0,1]=3 59 B13R0.398 CCCCOC(=O)C(C)OCCCF 7a_100000038973_100011934791 [0,0,0,0,0,0|2,0,1]=3 60 B13R0.398 CCCCOC(=O)C(C)OCCCN 34a_100000182051_100000759602 [0,0,0,0,0,0|2,0,1]=3 61 B13R0.398 CCCCOC(=O)C(C)OCCCO 34a_100000038973_100000230001 [0,0,0,0,0,0|2,0,1]=3 62 B13R0.398 CCCCOC(=O)C(C)OCCCO 7a_100000038973_100011215043 [0,0,0,0,0,0|2,0,1]=3 63 B13R0.398 CCCCOC(=O)C(C)OCCOC 34a_100000038973_100011201679 [0,0,0,0,0,0|2,0,1]=3 64 B13R0.398 CCCCOC(=O)C(C)OCCOC 34a_100000210237_100000759602 [0,0,0,0,0,0|2,0,1]=3 65 B13R0.398 CCCCOC(=O)C(C)OCCOC 7a_100000038973_100000233755 [0,0,0,0,0,0|2,0,1]=3 66 B13R0.398 CCCCOC(=O)C(C)OCCON 34a_100000700252_100000759602 [0,0,0,0,0,0|3,0,1]=4 67 B13R0.398 CCCCOC(=O)C(C)OCCSC 34a_100000038973_100000212216 [0,0,0,0,0,0|2,0,1]=3 68 B13R0.398 CCCCOC(=O)C(C)OCCSC 34a_100000230434_100000759602 [0,0,0,0,0,0|2,0,1]=3 69 B13R0.398 CCCCOC(=O)C(C)OCCSC 7a_100000038973_100000212216 [0,0,0,0,0,0|2,0,1]=3 70 B13R0.398 CCCCOC(=O)C(C)OCCSC 7a_100000230434_100000759602 [0,0,0,0,0,0|2,0,1]=3 71 B13R0.398 CCCCOC(=O)C(C)SCCCC 62a_100000210211_100000759602 [0,0,0,0,0,0|1,1,1]=3 72 B13R0.398 CCCCOC(=O)C(C)SCCCC 62a_100000759602_100000210210 [0,0,0,0,0,0|1,1,1]=3 73 B13R0.398 CCCCOC(=O)C(C)SCCCF 62a_100000759602_100011934791 [0,0,0,0,0,0|2,1,1]=4 74 B13R0.398 CCCCOC(=O)C(C)SCCCF 62a_100011934791_100000759602 [0,0,0,0,0,0|2,1,1]=4 75 B13R0.398 CCCCOC(=O)C(C)SCCCO 62a_100000759602_100011215043 [0,0,0,0,0,0|2,1,1]=4 76 B13R0.398 CCCCOC(=O)C(C)SCCCO 62a_100011215043_100000759602 [0,0,0,0,0,0|2,1,1]=4 77 B13R0.398 CCCCOC(=O)C(C)SCCOC 62a_100000233755_100000759602 [0,0,0,0,0,0|2,1,1]=4 78 B13R0.398 CCCCOC(=O)C(C)SCCOC 62a_100000759602_100000233755 [0,0,0,0,0,0|2,1,1]=4 79 B13R0.398 CCCCOC(=O)C(C)SCCSC 62a_100000212216_100000759602 [0,0,0,0,0,0|2,1,1]=4 80 B13R0.398 CCCCOC(=O)C(C)SCCSC 62a_100000759602_100000751147 [0,0,0,0,0,0|2,1,1]=4 81 B13R0.398 CCCCOC(=O)C(C)SCOCC 62a_100000739092_100000759602 [0,0,0,0,0,0|2,1,1]=4 82 B13R0.398 CCCCOC(=O)C(C)SCOCC 62a_100000759602_100000739092 [0,0,0,0,0,0|2,1,1]=4 83 B13R0.398 CCCCOC(C)C(=O)NCCOC 7a_100000210227_100000230274 [0,0,0,0,0,0|3,0,1]=4 84 B12R0.47 C#CCCOCC(=O)OCCCC 34a_100011215631_100000211628 [1,0,0,0,0,0|0,0,3]=4 85 B12R0.47 C/C=C/COCC(=O)OCCCC 34a_100016270725_100000211628 [1,0,0,0,0,0|0,0,3]=4 86 B12R0.47 C=CCCOCC(=O)OCCCC 34a_100011205117_100000211628 [1,0,0,0,0,0|0,0,3]=4 87 B12R0.47 CC#CCOCC(=O)OCCCC 34a_100000761923_100000211628 [1,0,0,0,0,0|0,0,3]=4 88 B12R0.47 CCCC#CC(=O)COCCCC 1458a_200011218047_100011995733 [1,0,0,0,0,0|1,0,2]=4 89 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [1,0,0,0,0,0|1,0,2]=4 90 B12R0.47 CCCCC=CC(=O)CCCCC 1458a_100016266645_100000210326 [1,0,0,0,0,0|2,0,0]=3 91 B12R0.47 CCCCC=CC(=O)CCCCF 1458a_100016266645_100000729493 [1,0,0,0,0,0|3,0,0]=4 92 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [1,0,0,0,0,0|3,0,0]=4 93 B12R0.47 CCCCC=CC(=O)CCCOC 1458a_100016266645_100000740836 [1,0,0,0,0,0|3,0,0]=4 94 B12R0.47 CCCCC=CC(=O)CCOCC 1458a_100016266645_100011215890 [1,0,0,0,0,0|3,0,0]=4 95 B12R0.47 CCCCC=CC(=O)CCSCC 1458a_100016266645_100000757381 [1,0,0,0,0,0|3,0,0]=4 96 B12R0.47 CCCCC=CC(=O)NCCCC 11a_100000102301_100016266645 [1,0,0,0,0,0|2,0,0]=3 97 B12R0.47 CCCCC=CC(=O)NCCCC 1626a_100000102301_100016266645 [1,0,0,0,0,0|2,0,0]=3 98 B12R0.47 CCCCC=CC(=O)NCCCC 240690a_100000102301_100016266645 [1,0,0,0,0,0|2,0,0]=3 99 B12R0.47 CCCCC=CC(=O)NCCCF 11a_100015189416_100016266645 [1,0,0,0,0,0|3,0,0]=4 100 B12R0.47 CCCCC=CC(=O)NCCCF 1626a_100015189416_100016266645 [1,0,0,0,0,0|3,0,0]=4 101 B12R0.47 CCCCC=CC(=O)NCCCF 240690a_100015189416_100016266645 [1,0,0,0,0,0|3,0,0]=4 102 B12R0.47 CCCCC=CC(=O)NCCCO 240690a_100000182051_100016266645 [1,0,0,0,0,0|3,0,0]=4 103 B12R0.47 CCCCC=CC(=O)NCCOC 1626a_100000209980_100016266645 [1,0,0,0,0,0|3,0,0]=4 104 B12R0.47 CCCCC=CC(=O)NCCOC 240690a_100000209980_100016266645 [1,0,0,0,0,0|3,0,0]=4 105 B12R0.47 CCCCC=CC(=O)NCCSC 11a_100020590264_100016266645 [1,0,0,0,0,0|3,0,0]=4 106 B12R0.47 CCCCC=CC(=O)NCCSC 1626a_100020590264_100016266645 [1,0,0,0,0,0|3,0,0]=4 107 B12R0.47 CCCCC=CC(=O)NCCSC 240690a_100020590264_100016266645 [1,0,0,0,0,0|3,0,0]=4 108 B12R0.47 CCCCC=CC(=O)NNCCC 22a_100000740057_100016266645 [1,0,0,0,0,0|3,0,0]=4 109 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [1,0,0,0,0,0|2,0,1]=4 110 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [1,0,0,0,0,0|2,0,1]=4 111 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [1,0,0,0,0,0|2,0,1]=4 112 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [1,0,0,0,0,0|1,0,1]=3 113 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [1,0,0,0,0,0|1,0,1]=3 114 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [1,0,0,0,0,0|1,0,1]=3 115 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [1,0,0,0,0,0|1,0,1]=3 116 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [1,0,0,0,0,0|2,0,1]=4 117 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [1,0,0,0,0,0|2,0,1]=4 118 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [1,0,0,0,0,0|2,0,1]=4 119 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [1,0,0,0,0,0|2,0,1]=4 120 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [1,0,0,0,0,0|2,0,1]=4 121 B12R0.47 CCCCCC(=O)COCCSC 34a_100000230434_200012276598 [1,0,0,0,0,0|2,0,1]=4 122 B12R0.47 CCCCCC(=O)COCCSC 7a_100000230434_200012276598 [1,0,0,0,0,0|2,0,1]=4 123 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [1,0,0,0,0,0|1,1,1]=4 124 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [1,0,0,0,0,0|1,1,1]=4 125 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [1,0,0,0,0,0|1,1,1]=4 126 B12R0.47 CCCCCC(=O)NNCCCC 22a_100025702795_100000212188 [1,0,0,0,0,0|3,0,0]=4 127 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [1,0,0,0,0,0|2,0,1]=4 128 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [1,0,0,0,0,0|2,0,1]=4 129 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [1,0,0,0,0,0|2,0,1]=4 130 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [1,0,0,0,0,0|2,0,1]=4 131 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [1,0,0,0,0,0|2,0,1]=4 132 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [1,0,0,0,0,0|2,0,1]=4 133 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [1,0,0,0,0,0|3,0,0]=4 134 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [1,0,0,0,0,0|3,0,0]=4 135 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [1,0,0,0,0,0|3,0,0]=4 136 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [1,0,0,0,0,0|3,0,0]=4 137 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000102301_100000209983 [1,0,0,0,0,0|3,0,0]=4 138 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000209983_100000102301 [1,0,0,0,0,0|3,0,0]=4 139 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000102301_100000209983 [1,0,0,0,0,0|3,0,0]=4 140 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000209983_100000102301 [1,0,0,0,0,0|3,0,0]=4 141 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000102301_100000209983 [1,0,0,0,0,0|3,0,0]=4 142 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000209983_100000102301 [1,0,0,0,0,0|3,0,0]=4 143 B12R0.47 CCCCNC(=O)COCCCBr 34a_100011217188_100000182744 [1,0,0,0,0,0|2,0,1]=4 144 B12R0.47 CCCCNC(=O)COCCCC 11a_100000102301_100000757543 [1,0,0,0,0,0|1,0,1]=3 145 B12R0.47 CCCCNC(=O)COCCCC 1626a_100000102301_100000757543 [1,0,0,0,0,0|1,0,1]=3 146 B12R0.47 CCCCNC(=O)COCCCC 240690a_100000102301_100000757543 [1,0,0,0,0,0|1,0,1]=3 147 B12R0.47 CCCCNC(=O)COCCCC 34a_100000210227_100000182744 [1,0,0,0,0,0|1,0,1]=3 148 B12R0.47 CCCCNC(=O)COCCCC 527a_100000102301_100000757543 [1,0,0,0,0,0|1,0,1]=3 149 B12R0.47 CCCCNC(=O)COCCCC 7a_100000210227_100000182744 [1,0,0,0,0,0|1,0,1]=3 150 B12R0.47 CCCCNC(=O)COCCCCl 34a_100000230001_100000182744 [1,0,0,0,0,0|2,0,1]=4 151 B12R0.47 CCCCNC(=O)COCCCF 34a_100000759539_100000182744 [1,0,0,0,0,0|2,0,1]=4 152 B12R0.47 CCCCNC(=O)COCCCN 34a_100000182051_100000182744 [1,0,0,0,0,0|2,0,1]=4 153 B12R0.47 CCCCNC(=O)COCCOC 11a_100000102301_100000211095 [1,0,0,0,0,0|2,0,1]=4 154 B12R0.47 CCCCNC(=O)COCCOC 1626a_100000102301_100000211095 [1,0,0,0,0,0|2,0,1]=4 155 B12R0.47 CCCCNC(=O)COCCOC 240690a_100000102301_100000211095 [1,0,0,0,0,0|2,0,1]=4 156 B12R0.47 CCCCNC(=O)COCCOC 34a_100000210237_100000182744 [1,0,0,0,0,0|2,0,1]=4 157 B12R0.47 CCCCNC(=O)COCCOC 527a_100000102301_100000211095 [1,0,0,0,0,0|2,0,1]=4 158 B12R0.47 CCCCNC(=O)COCCSC 34a_100000230434_100000182744 [1,0,0,0,0,0|2,0,1]=4 159 B12R0.47 CCCCNC(=O)COCCSC 7a_100000230434_100000182744 [1,0,0,0,0,0|2,0,1]=4 160 B12R0.47 CCCCNC(=O)CSCCCC 11a_100000102301_100000191162 [1,0,0,0,0,0|1,1,1]=4 161 B12R0.47 CCCCNC(=O)CSCCCC 1626a_100000102301_100000191162 [1,0,0,0,0,0|1,1,1]=4 162 B12R0.47 CCCCNC(=O)CSCCCC 240690a_100000102301_100000191162 [1,0,0,0,0,0|1,1,1]=4 163 B12R0.47 CCCCNC(=O)CSCCCC 527a_100000102301_100000191162 [1,0,0,0,0,0|1,1,1]=4 164 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000182744_100000210210 [1,0,0,0,0,0|1,1,1]=4 165 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000210211_100000182744 [1,0,0,0,0,0|1,1,1]=4 166 B12R0.47 CCCCNCC(=O)NCCCC 2230a_100000102301_100000182744 [1,0,0,0,0,0|2,0,1]=4 167 B12R0.47 CCCCNCC(=O)NCCCC 7a_106832991798_100000182744 [1,0,0,0,0,0|2,0,1]=4 168 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [1,0,0,0,0,0|1,0,1]=3 169 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [1,0,0,0,0,0|1,0,1]=3 170 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [1,0,0,0,0,0|2,0,1]=4 171 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [1,0,0,0,0,0|2,0,1]=4 172 B12R0.47 CCCCNNC(=O)NCCCC 273464a_100000102301_100025702795 [1,0,0,0,0,0|3,0,0]=4 173 B12R0.47 CCCCNNC(=O)NCCCC 512a_100000102301_100025702795 [1,0,0,0,0,0|3,0,0]=4 174 B12R0.47 CCCCNNC(=O)NCCCC 512a_100025702795_100000102301 [1,0,0,0,0,0|3,0,0]=4 175 B12R0.47 CCCCOC(=O)CNCCCF 2230a_100015189416_100000211628 [1,0,0,0,0,0|2,0,1]=4 176 B12R0.47 CCCCOC(=O)CNCCCF 34a_100015189416_100000211628 [1,0,0,0,0,0|2,0,1]=4 177 B12R0.47 CCCCOC(=O)CNCCOC 2230a_100000209980_100000211628 [1,0,0,0,0,0|2,0,1]=4 178 B12R0.47 CCCCOC(=O)CNCCSC 2230a_100020590264_100000211628 [1,0,0,0,0,0|2,0,1]=4 179 B12R0.47 CCCCOC(=O)COCCCBr 34a_100011217188_100000211628 [1,0,0,0,0,0|1,0,1]=3 180 B12R0.47 CCCCOC(=O)COCCCCl 34a_100000230001_100000211628 [1,0,0,0,0,0|1,0,1]=3 181 B12R0.47 CCCCOC(=O)COCCCF 34a_100000759539_100000211628 [1,0,0,0,0,0|1,0,1]=3 182 B12R0.47 CCCCOC(=O)COCCCN 34a_100000182051_100000211628 [1,0,0,0,0,0|1,0,1]=3 183 B12R0.47 CCCCOC(=O)COCCOC 34a_100000210237_100000211628 [1,0,0,0,0,0|1,0,1]=3 184 B12R0.47 CCCCOC(=O)COCCON 34a_100000700252_100000211628 [1,0,0,0,0,0|2,0,1]=4 185 B12R0.47 CCCCOC(=O)COCCSC 34a_100000230434_100000211628 [1,0,0,0,0,0|1,0,1]=3 186 B12R0.47 CCCCOC(=O)COCCSC 7a_100000230434_100000211628 [1,0,0,0,0,0|1,0,1]=3 187 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [1,0,0,0,0,0|0,1,1]=3 188 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [1,0,0,0,0,0|0,1,1]=3 189 B12R0.47 CCCCOC(=O)CSCCCF 62a_100000211628_100011934791 [1,0,0,0,0,0|1,1,1]=4 190 B12R0.47 CCCCOC(=O)CSCCCF 62a_100011934791_100000211628 [1,0,0,0,0,0|1,1,1]=4 191 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [1,0,0,0,0,0|1,1,1]=4 192 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [1,0,0,0,0,0|1,1,1]=4 193 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000211628_100000233755 [1,0,0,0,0,0|1,1,1]=4 194 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000233755_100000211628 [1,0,0,0,0,0|1,1,1]=4 195 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000211628_100000751147 [1,0,0,0,0,0|1,1,1]=4 196 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000212216_100000211628 [1,0,0,0,0,0|1,1,1]=4 197 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000211628_100000739092 [1,0,0,0,0,0|1,1,1]=4 198 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000739092_100000211628 [1,0,0,0,0,0|1,1,1]=4 199 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [1,0,0,0,0,0|2,0,1]=4 200 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [1,0,0,0,0,0|2,0,1]=4 201 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [1,0,0,0,0,0|2,0,1]=4 202 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [1,0,0,0,0,0|2,0,1]=4 203 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [1,0,0,0,0,0|2,0,1]=4 204 B12R0.47 CCCCOCC(=O)CCCSC 1458a_100000173376_100011995733 [1,0,0,0,0,0|2,0,1]=4 205 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000749530_100011995733 [1,0,0,0,0,0|2,0,1]=4 206 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000757543_100011215890 [1,0,0,0,0,0|2,0,1]=4 207 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000230768_100011995733 [1,0,0,0,0,0|2,0,1]=4 208 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000757543_100000757381 [1,0,0,0,0,0|2,0,1]=4 209 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [1,0,0,0,0,0|2,0,1]=4 210 B12R0.47 CCCCOCC(=O)CSCCC 1458a_100000217233_100011995733 [1,0,0,0,0,0|2,0,1]=4 211 B12R0.47 CCCCOCC(=O)NCCCF 11a_100015189416_100000757543 [1,0,0,0,0,0|2,0,1]=4 212 B12R0.47 CCCCOCC(=O)NCCCF 1626a_100015189416_100000757543 [1,0,0,0,0,0|2,0,1]=4 213 B12R0.47 CCCCOCC(=O)NCCCF 240690a_100015189416_100000757543 [1,0,0,0,0,0|2,0,1]=4 214 B12R0.47 CCCCOCC(=O)NCCCF 527a_100015189416_100000757543 [1,0,0,0,0,0|2,0,1]=4 215 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [1,0,0,0,0,0|2,0,1]=4 216 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [1,0,0,0,0,0|2,0,1]=4 217 B12R0.47 CCCCOCC(=O)NCCOC 1626a_100000209980_100000757543 [1,0,0,0,0,0|2,0,1]=4 218 B12R0.47 CCCCOCC(=O)NCCOC 240690a_100000209980_100000757543 [1,0,0,0,0,0|2,0,1]=4 219 B12R0.47 CCCCOCC(=O)NCCOC 34a_100000210227_100000183275 [1,0,0,0,0,0|2,0,1]=4 220 B12R0.47 CCCCOCC(=O)NCCOC 527a_100000209980_100000757543 [1,0,0,0,0,0|2,0,1]=4 221 B12R0.47 CCCCOCC(=O)NCCOC 7a_100000210227_100000183275 [1,0,0,0,0,0|2,0,1]=4 222 B12R0.47 CCCCOCC(=O)NCCSC 11a_100020590264_100000757543 [1,0,0,0,0,0|2,0,1]=4 223 B12R0.47 CCCCOCC(=O)NCCSC 1626a_100020590264_100000757543 [1,0,0,0,0,0|2,0,1]=4 224 B12R0.47 CCCCOCC(=O)NCCSC 240690a_100020590264_100000757543 [1,0,0,0,0,0|2,0,1]=4 225 B12R0.47 CCCCOCC(=O)NCCSC 527a_100020590264_100000757543 [1,0,0,0,0,0|2,0,1]=4 226 B12R0.47 CCCCOCC(=O)NNCCC 22a_100000740057_100000757543 [1,0,0,0,0,0|2,0,1]=4 227 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [1,0,0,0,0,0|0,0,1]=2 228 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [1,0,0,0,0,0|0,0,1]=2 229 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [1,0,0,0,0,0|1,0,1]=3 230 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [1,0,0,0,0,0|1,0,1]=3 231 B12R0.47 CCCCOCC(C)OCCCC 34a_100011217071_100000210210 [1,0,0,0,0,0|1,0,2]=4 232 B12R0.47 CCCCOCC(C)OCCCC 7a_100011217071_100000210211 [1,0,0,0,0,0|1,0,2]=4 233 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [1,0,0,0,0,0|1,1,1]=4 234 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [1,0,0,0,0,0|1,1,1]=4 235 B12R0.47 COCCOC(=O)COCCCBr 34a_100011217188_200000040189 [1,0,0,0,0,0|2,0,1]=4 236 B12R0.47 COCCOC(=O)COCCCCl 34a_100000230001_200000040189 [1,0,0,0,0,0|2,0,1]=4 237 B12R0.47 COCCOC(=O)COCCCF 34a_100000759539_200000040189 [1,0,0,0,0,0|2,0,1]=4 238 B12R0.47 COCCOC(=O)COCCCN 34a_100000182051_200000040189 [1,0,0,0,0,0|2,0,1]=4 239 B12R0.47 COCCOC(=O)COCCSC 34a_100000230434_200000040189 [1,0,0,0,0,0|2,0,1]=4 240 B12R0.47 COCCOC(=O)COCCSC 7a_100000230434_200000040189 [1,0,0,0,0,0|2,0,1]=4 241 B12R0.47 COCCOCC(=O)OCCOC 34a_100000210237_200000040189 [1,0,0,0,0,0|2,0,1]=4 242 B12R0.648 CCC/C=C(\C)/C(=O)CCCCC 1458a_200020648666_100000210326 [1,0,0,0,0,0|2,0,1]=4 243 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 11a_100000102301_200020648666 [1,0,0,0,0,0|2,0,1]=4 244 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 1626a_100000102301_200020648666 [1,0,0,0,0,0|2,0,1]=4 245 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 240690a_100000102301_200020648666 [1,0,0,0,0,0|2,0,1]=4 246 B12R0.648 CCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210326 [1,0,0,0,0,0|2,0,0]=3 247 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000212188_200011215066 [1,0,0,0,0,0|2,0,1]=4 248 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210326 [1,0,0,0,0,0|2,0,1]=4 249 B12R0.648 CCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210326 [1,0,0,0,0,0|1,0,2]=4 250 B12R0.648 CCCCCC(=O)N(C)CCCC 11a_100000207549_100000212188 [1,0,0,0,0,0|3,0,0]=4 251 B12R0.648 CCCCCC(=O)N(C)CCCC 1626a_100000207549_100000212188 [1,0,0,0,0,0|3,0,0]=4 252 B12R0.648 CCCCCC(=O)N(C)CCCC 240690a_100000207549_100000212188 [1,0,0,0,0,0|3,0,0]=4 253 B12R0.648 CCCCCC(=O)N(C)CCCC 527a_100000207549_100000212188 [1,0,0,0,0,0|3,0,0]=4 254 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [1,0,0,0,0,0|2,0,1]=4 255 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [1,0,0,0,0,0|2,0,1]=4 256 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [1,0,0,0,0,0|3,0,0]=4 257 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [1,0,0,0,0,0|3,0,0]=4 258 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [1,0,0,0,0,0|3,0,0]=4 259 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [1,0,0,0,0,0|3,0,0]=4 260 B12R0.648 CCCCNC(=O)C(=O)NCCC 1626a_100000102301_200011297150 [1,0,0,0,0,0|2,0,0]=3 261 B12R0.648 CCCCNC(=O)C(=O)NCCC 240690a_100000102301_200011297150 [1,0,0,0,0,0|2,0,0]=3 262 B12R0.648 CCCCNC(=O)C(=O)NCCC 527a_100000102301_200011297150 [1,0,0,0,0,0|2,0,0]=3 263 B12R0.648 CCCCNC(=O)C(C)CCCC 11a_100000102301_100000725509 [1,0,0,0,0,0|2,0,1]=4 264 B12R0.648 CCCCNC(=O)C(C)CCCC 1626a_100000102301_100000725509 [1,0,0,0,0,0|2,0,1]=4 265 B12R0.648 CCCCNC(=O)C(C)CCCC 240690a_100000102301_100000725509 [1,0,0,0,0,0|2,0,1]=4 266 B12R0.648 CCCCNC(=O)C(C)CCCC 527a_100000102301_100000725509 [1,0,0,0,0,0|2,0,1]=4 267 B12R0.648 CCCCNC(=O)C(C)OCCC 34a_100000210258_100000735917 [1,0,0,0,0,0|2,0,1]=4 268 B12R0.648 CCCCNC(=O)C(O)CCCC 240690a_100000102301_100000720857 [1,0,0,0,0,0|1,0,2]=4 269 B12R0.648 CCCCNC(=O)C(O)CCCC 527a_100000102301_100000720857 [1,0,0,0,0,0|1,0,2]=4 270 B12R0.648 CCCCNC(=O)N(C)CCCC 2708a_100000102301_100000207549 [1,0,0,0,0,0|3,0,0]=4 271 B12R0.648 CCCCNC(=O)N(C)CCCC 273464a_100000102301_100000207549 [1,0,0,0,0,0|3,0,0]=4 272 B12R0.648 CCCCNC(C)C(=O)OCCC 2230a_100000102301_100000760410 [1,0,0,0,0,0|2,0,1]=4 273 B12R0.648 CCCCNC(C)C(=O)OCCC 7a_106832991798_100000760410 [1,0,0,0,0,0|2,0,1]=4 274 B12R0.648 CCCCOC(=O)C(C)OCCBr 34a_100000211926_100000759602 [1,0,0,0,0,0|2,0,1]=4 275 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000038973_100000210303 [1,0,0,0,0,0|1,0,1]=3 276 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000210258_100000759602 [1,0,0,0,0,0|1,0,1]=3 277 B12R0.648 CCCCOC(=O)C(C)OCCC 7a_100000038973_100000210303 [1,0,0,0,0,0|1,0,1]=3 278 B12R0.648 CCCCOC(=O)C(C)OCCF 34a_100000038973_100011217306 [1,0,0,0,0,0|2,0,1]=4 279 B12R0.648 CCCCOC(=O)C(C)OCCF 7a_100000038973_100011217306 [1,0,0,0,0,0|2,0,1]=4 280 B12R0.648 CCCCOC(=O)C(C)OCCN 34a_100000210304_100000759602 [1,0,0,0,0,0|2,0,1]=4 281 B12R0.648 CCCCOC(=O)C(C)OCCO 34a_100000038973_100000211926 [1,0,0,0,0,0|2,0,1]=4 282 B12R0.648 CCCCOC(=O)C(C)OCCO 7a_100000038973_100000211926 [1,0,0,0,0,0|2,0,1]=4 283 B12R0.648 CCCCOC(=O)C(C)OCSC 34a_100000038973_100011218213 [1,0,0,0,0,0|2,0,1]=4 284 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000210303_100000759602 [1,0,0,0,0,0|1,1,1]=4 285 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000759602_100000210303 [1,0,0,0,0,0|1,1,1]=4 286 B12R0.648 CCCCOC(C)C(=O)NCCC 34a_100000210227_100000230305 [1,0,0,0,0,0|2,0,1]=4 287 B12R0.648 CCCCOC(C)C(=O)NCCC 7a_100000210227_100000230305 [1,0,0,0,0,0|2,0,1]=4 288 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000037348_100000210210 [1,0,0,0,0,0|1,0,1]=3 289 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000210227_100000760410 [1,0,0,0,0,0|1,0,1]=3 290 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000037348_100000210211 [1,0,0,0,0,0|1,0,1]=3 291 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000210227_100000760410 [1,0,0,0,0,0|1,0,1]=3 292 B12R0.648 CCCCSC(C)C(=O)CCCC 1458a_100000191163_100000210211 [1,0,0,0,0,0|1,1,1]=4 293 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000210211_100000760410 [1,0,0,0,0,0|1,1,1]=4 294 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000760410_100000210210 [1,0,0,0,0,0|1,1,1]=4 295 B12R0.648 CCCNC(=O)C(=O)CCCCF 1458a_200011297150_100000729493 [1,0,0,0,0,0|3,0,0]=4 296 B12R0.648 CCCNC(=O)C(=O)CCCCO 1458a_200011297150_100000210776 [1,0,0,0,0,0|3,0,0]=4 297 B12R0.648 CCCNC(=O)C(=O)CCCOC 1458a_200011297150_100000740836 [1,0,0,0,0,0|3,0,0]=4 298 B12R0.648 CCCNC(=O)C(=O)CCOCC 1458a_200011297150_100011215890 [1,0,0,0,0,0|3,0,0]=4 299 B12R0.648 CCCNC(=O)C(=O)CCSCC 1458a_200011297150_100000757381 [1,0,0,0,0,0|3,0,0]=4 300 B12R0.648 CCCNC(=O)C(=O)NCCCF 1626a_100015189416_200011297150 [1,0,0,0,0,0|3,0,0]=4 301 B12R0.648 CCCNC(=O)C(=O)NCCCF 240690a_100015189416_200011297150 [1,0,0,0,0,0|3,0,0]=4 302 B12R0.648 CCCNC(=O)C(=O)NCCCF 527a_100015189416_200011297150 [1,0,0,0,0,0|3,0,0]=4 303 B12R0.648 CCCNC(=O)C(=O)NCCCO 240690a_100000182051_200011297150 [1,0,0,0,0,0|3,0,0]=4 304 B12R0.648 CCCNC(=O)C(=O)NCCCO 527a_100000182051_200011297150 [1,0,0,0,0,0|3,0,0]=4 305 B12R0.648 CCCNC(=O)C(=O)NCCOC 1626a_100000209980_200011297150 [1,0,0,0,0,0|3,0,0]=4 306 B12R0.648 CCCNC(=O)C(=O)NCCOC 240690a_100000209980_200011297150 [1,0,0,0,0,0|3,0,0]=4 307 B12R0.648 CCCNC(=O)C(=O)NCCOC 527a_100000209980_200011297150 [1,0,0,0,0,0|3,0,0]=4 308 B12R0.648 CCCNC(=O)C(=O)NCCSC 1626a_100020590264_200011297150 [1,0,0,0,0,0|3,0,0]=4 309 B12R0.648 CCCNC(=O)C(=O)NCCSC 240690a_100020590264_200011297150 [1,0,0,0,0,0|3,0,0]=4 310 B12R0.648 CCCNC(=O)C(=O)NCCSC 527a_100020590264_200011297150 [1,0,0,0,0,0|3,0,0]=4 311 B12R0.648 CCCNN=C(C)C(=O)OCCC 4a_100000740057_100010632825 [1,0,0,0,0,0|3,0,0]=4 312 B12R0.648 CCCNNC(=O)C(=O)NCCC 22a_100000740057_200011297150 [1,0,0,0,0,0|3,0,0]=4 313 B12R0.648 CCCOC(=O)C(C)OCCCBr 34a_100011217188_100000760410 [1,0,0,0,0,0|2,0,1]=4 314 B12R0.648 CCCOC(=O)C(C)OCCCCl 34a_100000230001_100000760410 [1,0,0,0,0,0|2,0,1]=4 315 B12R0.648 CCCOC(=O)C(C)OCCCF 34a_100000037348_100011934791 [1,0,0,0,0,0|2,0,1]=4 316 B12R0.648 CCCOC(=O)C(C)OCCCF 34a_100000759539_100000760410 [1,0,0,0,0,0|2,0,1]=4 317 B12R0.648 CCCOC(=O)C(C)OCCCF 7a_100000037348_100011934791 [1,0,0,0,0,0|2,0,1]=4 318 B12R0.648 CCCOC(=O)C(C)OCCCN 34a_100000182051_100000760410 [1,0,0,0,0,0|2,0,1]=4 319 B12R0.648 CCCOC(=O)C(C)OCCCO 34a_100000037348_100000230001 [1,0,0,0,0,0|2,0,1]=4 320 B12R0.648 CCCOC(=O)C(C)OCCCO 7a_100000037348_100011215043 [1,0,0,0,0,0|2,0,1]=4 321 B12R0.648 CCCOC(=O)C(C)OCCOC 34a_100000037348_100011201679 [1,0,0,0,0,0|2,0,1]=4 322 B12R0.648 CCCOC(=O)C(C)OCCOC 34a_100000210237_100000760410 [1,0,0,0,0,0|2,0,1]=4 323 B12R0.648 CCCOC(=O)C(C)OCCOC 7a_100000037348_100000233755 [1,0,0,0,0,0|2,0,1]=4 324 B12R0.648 CCCOC(=O)C(C)OCCSC 34a_100000037348_100000212216 [1,0,0,0,0,0|2,0,1]=4 325 B12R0.648 CCCOC(=O)C(C)OCCSC 34a_100000230434_100000760410 [1,0,0,0,0,0|2,0,1]=4 326 B12R0.648 CCCOC(=O)C(C)OCCSC 7a_100000037348_100000212216 [1,0,0,0,0,0|2,0,1]=4 327 B12R0.648 CCCOC(=O)C(C)OCCSC 7a_100000230434_100000760410 [1,0,0,0,0,0|2,0,1]=4 328 B14R0.186 C=C(C)CCOC(C)C(=O)OCCCC 34a_100000038973_100000730704 [0,1,0,0,0,0|1,0,2]=4 329 B14R0.186 C=C(C)CCOC(C)C(=O)OCCCC 34a_100000764851_100000759602 [0,1,0,0,0,0|1,0,2]=4 330 B14R0.186 C=C(C)CCOC(C)C(=O)OCCCC 7a_100000038973_100000730704 [0,1,0,0,0,0|1,0,2]=4 331 B14R0.186 CC(C)CCOC(=O)C(C)OCCCF 34a_200000034679_100011934791 [0,1,0,0,0,0|2,0,1]=4 332 B14R0.186 CC(C)CCOC(=O)C(C)OCCCF 7a_200000034679_100011934791 [0,1,0,0,0,0|2,0,1]=4 333 B14R0.186 CC(C)CCOC(=O)C(C)OCCCO 34a_200000034679_100000230001 [0,1,0,0,0,0|2,0,1]=4 334 B14R0.186 CC(C)CCOC(=O)C(C)OCCCO 7a_200000034679_100011215043 [0,1,0,0,0,0|2,0,1]=4 335 B14R0.186 CCCCNC(=O)C(C)OCCC(C)Br 34a_100009893172_100000735917 [0,1,0,0,0,0|2,0,1]=4 336 B14R0.186 CCCCNC(=O)C(C)OCCC(C)C 34a_100000210254_100000735917 [0,1,0,0,0,0|2,0,1]=4 337 B14R0.186 CCCCNC(=O)C(C)OCCC(C)C 7a_100000210254_100000735917 [0,1,0,0,0,0|2,0,1]=4 338 B14R0.186 CCCCNC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000735917 [0,1,0,0,0,0|2,0,1]=4 339 B14R0.186 CCCCOC(=O)C(C)NCCC(C)O 2230a_200000755665_100000759602 [0,1,0,0,0,0|2,0,1]=4 340 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)C 34a_100000759926_100000759602 [0,1,0,0,0,0|1,0,2]=4 341 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)C 7a_100000038973_100000053229 [0,1,0,0,0,0|1,0,2]=4 342 B14R0.186 CCCCOC(=O)C(C)OCCC(=O)C 7a_100000759926_100000759602 [0,1,0,0,0,0|1,0,2]=4 343 B14R0.186 CCCCOC(=O)C(C)OCCC(C)Br 34a_100009893172_100000759602 [0,1,0,0,0,0|1,0,1]=3 344 B14R0.186 CCCCOC(=O)C(C)OCCC(C)C 34a_100000038973_100000210312 [0,1,0,0,0,0|1,0,1]=3 345 B14R0.186 CCCCOC(=O)C(C)OCCC(C)C 34a_100000210254_100000759602 [0,1,0,0,0,0|1,0,1]=3 346 B14R0.186 CCCCOC(=O)C(C)OCCC(C)C 7a_100000038973_100000210626 [0,1,0,0,0,0|1,0,1]=3 347 B14R0.186 CCCCOC(=O)C(C)OCCC(C)C 7a_100000210254_100000759602 [0,1,0,0,0,0|1,0,1]=3 348 B14R0.186 CCCCOC(=O)C(C)OCCC(C)O 34a_100000038973_100012276601 [0,1,0,0,0,0|1,0,1]=3 349 B14R0.186 CCCCOC(=O)C(C)OCCC(C)O 7a_100000038973_100012276601 [0,1,0,0,0,0|1,0,1]=3 350 B14R0.186 CCCCOC(=O)C(C)OCCC(F)F 34a_100103093639_100000759602 [0,1,0,0,0,0|2,0,1]=4 351 B14R0.186 CCCCOC(=O)C(C)OCCN(C)C 7a_100000038973_100000755713 [0,1,0,0,0,0|2,0,1]=4 352 B14R0.186 CCCCOC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000759602 [0,1,0,0,0,0|1,0,1]=3 353 B14R0.186 CCCCOC(=O)C(C)OCOC(C)C 34a_100000038973_100000709892 [0,1,0,0,0,0|2,0,1]=4 354 B14R0.186 CCCCOC(=O)C(C)SCCC(C)C 62a_100000210312_100000759602 [0,1,0,0,0,0|1,1,1]=4 355 B14R0.186 CCCCOC(=O)C(C)SCCC(C)C 62a_100000759602_100000210312 [0,1,0,0,0,0|1,1,1]=4 356 B14R0.186 CCCCOC(=O)C(C)SCCC(C)O 62a_100000759602_100012276601 [0,1,0,0,0,0|1,1,1]=4 357 B14R0.186 CCCCOC(=O)C(C)SCCC(C)O 62a_100012276601_100000759602 [0,1,0,0,0,0|1,1,1]=4 358 B14R0.186 CCCCOC(C)C(=O)NCCC(C)C 34a_100000210227_100000735922 [0,1,0,0,0,0|2,0,1]=4 359 B14R0.186 CCCCOC(C)C(=O)NCCC(C)C 7a_100000210227_100000735922 [0,1,0,0,0,0|2,0,1]=4 360 B14R0.186 CCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000210210 [0,1,0,0,0,0|1,0,1]=3 361 B14R0.186 CCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000210211 [0,1,0,0,0,0|1,0,1]=3 362 B14R0.186 COCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100011201679 [0,1,0,0,0,0|2,0,1]=4 363 B14R0.186 COCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000233755 [0,1,0,0,0,0|2,0,1]=4 364 B14R0.186 CSCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000212216 [0,1,0,0,0,0|2,0,1]=4 365 B14R0.186 CSCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000212216 [0,1,0,0,0,0|2,0,1]=4 366 B14R0.235 CCCCNC(=O)C(CC)OCCCC 7a_100000210227_200011763471 [0,1,0,0,0,0|2,0,1]=4 367 B14R0.235 CCCCOC(=O)[C@H](CC)OCCCC 34a_100020628826_100000210210 [0,1,0,0,0,0|1,0,1]=3 368 B14R0.235 CCCCOC(=O)[C@H](CC)OCCCC 7a_100020628826_100000210211 [0,1,0,0,0,0|1,0,1]=3 369 B14R0.235 CCCCOC(=O)[C@H](CC)OCCCF 34a_100020628826_100011934791 [0,1,0,0,0,0|2,0,1]=4 370 B14R0.235 CCCCOC(=O)[C@H](CC)OCCCF 7a_100020628826_100011934791 [0,1,0,0,0,0|2,0,1]=4 371 B14R0.235 CCCCOC(=O)[C@H](CC)OCCCO 34a_100020628826_100000230001 [0,1,0,0,0,0|2,0,1]=4 372 B14R0.235 CCCCOC(=O)[C@H](CC)OCCCO 7a_100020628826_100011215043 [0,1,0,0,0,0|2,0,1]=4 373 B14R0.235 CCCCOC(=O)[C@H](CC)OCCOC 34a_100020628826_100011201679 [0,1,0,0,0,0|2,0,1]=4 374 B14R0.235 CCCCOC(=O)[C@H](CC)OCCOC 7a_100020628826_100000233755 [0,1,0,0,0,0|2,0,1]=4 375 B14R0.235 CCCCOC(=O)[C@H](CC)OCCSC 34a_100020628826_100000212216 [0,1,0,0,0,0|2,0,1]=4 376 B14R0.235 CCCCOC(=O)[C@H](CC)OCCSC 7a_100020628826_100000212216 [0,1,0,0,0,0|2,0,1]=4 377 B14R0.473 CCCCNC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000735917 [0,1,0,0,0,0|2,0,1]=4 378 B14R0.473 CCCCOC(=O)C(C)NCC(C)CC 2230a_100020588543_100000759602 [0,1,0,0,0,0|2,0,1]=4 379 B14R0.473 CCCCOC(=O)C(C)NCC(O)CC 2230a_100011218483_100000759602 [0,1,0,0,0,0|2,0,1]=4 380 B14R0.473 CCCCOC(=O)C(C)OCC(=O)CC 34a_100000725409_100000759602 [0,1,0,0,0,0|1,0,2]=4 381 B14R0.473 CCCCOC(=O)C(C)OCC(=O)CC 7a_100000038973_100000747405 [0,1,0,0,0,0|1,0,2]=4 382 B14R0.473 CCCCOC(=O)C(C)OCC(C)CC 34a_100000038973_100000748023 [0,1,0,0,0,0|1,0,1]=3 383 B14R0.473 CCCCOC(=O)C(C)OCC(C)CC 7a_100000038973_100000748023 [0,1,0,0,0,0|1,0,1]=3 384 B14R0.473 CCCCOC(=O)C(C)OCC(C)CN 34a_100000744482_100000759602 [0,1,0,0,0,0|2,0,1]=4 385 B14R0.473 CCCCOC(=O)C(C)OCC(C)OC 34a_100000690652_100000759602 [0,1,0,0,0,0|2,0,1]=4 386 B14R0.473 CCCCOC(=O)C(C)OCC(Cl)CCl 34a_100000033668_100000759602 [0,1,0,0,0,0|2,0,1]=4 387 B14R0.473 CCCCOC(=O)C(C)OCC(O)CC 34a_100000038973_100011218378 [0,1,0,0,0,0|1,0,1]=3 388 B14R0.473 CCCCOC(=O)C(C)OCC(O)CC 7a_100000038973_100011218378 [0,1,0,0,0,0|1,0,1]=3 389 B14R0.473 CCCCOC(=O)C(C)OCC(O)CO 34a_100000038973_100011219619 [0,1,0,0,0,0|2,0,1]=4 390 B14R0.473 CCCCOC(=O)C(C)OCC(O)CO 7a_100000038973_100011219619 [0,1,0,0,0,0|2,0,1]=4 391 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](C)CC 34a_100000038973_100009816398 [0,1,0,0,0,0|1,0,1]=3 392 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](C)CC 7a_100000038973_100009816398 [0,1,0,0,0,0|1,0,1]=3 393 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000759602 [0,1,0,0,0,0|1,0,1]=3 394 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](C)CO 34a_100000038973_100000059175 [0,1,0,0,0,0|2,0,1]=4 395 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](C)CO 7a_100000038973_100000059175 [0,1,0,0,0,0|2,0,1]=4 396 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](O)CF 34a_100000038973_100015614560 [0,1,0,0,0,0|2,0,1]=4 397 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](O)CF 7a_100000038973_100015614560 [0,1,0,0,0,0|2,0,1]=4 398 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](O)CO 34a_100000038973_100009815848 [0,1,0,0,0,0|2,0,1]=4 399 B14R0.473 CCCCOC(=O)C(C)OC[C@@H](O)CO 7a_100000038973_100009815848 [0,1,0,0,0,0|2,0,1]=4 400 B14R0.473 CCCCOC(=O)C(C)OC[C@H](F)CN 34a_100015665980_100000759602 [0,1,0,0,0,0|2,0,1]=4 401 B14R0.473 CCCCOC(=O)C(C)SCC(C)CC 62a_100000748023_100000759602 [0,1,0,0,0,0|1,1,1]=4 402 B14R0.473 CCCCOC(=O)C(C)SCC(C)CC 62a_100000759602_100000748023 [0,1,0,0,0,0|1,1,1]=4 403 B14R0.473 CCCCOC(=O)C(C)SCC(O)CC 62a_100000759602_100011218378 [0,1,0,0,0,0|1,1,1]=4 404 B14R0.473 CCCCOC(=O)C(C)SCC(O)CC 62a_100011218378_100000759602 [0,1,0,0,0,0|1,1,1]=4 405 B14R0.473 CCCCOC(=O)C(C)SC[C@@H](C)CC 62a_100000759602_100009816398 [0,1,0,0,0,0|1,1,1]=4 406 B14R0.473 CCCCOC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100000759602 [0,1,0,0,0,0|1,1,1]=4 407 B14R0.474 CCCCOC(=O)C(C)C(=O)CCCC 1458a_100000210183_100000759602 [0,1,0,0,0,0|2,0,1]=4 408 B14R0.474 CCCCOC(=O)C(C)N(C)CCCC 2230a_100000207549_100000759602 [0,1,0,0,0,0|2,0,1]=4 409 B14R0.474 CCCCOC(=O)C(C)N(C)CCCC 269982a_100000207549_100000759602 [0,1,0,0,0,0|2,0,1]=4 410 B14R0.2256 C#CCCCOC(C)C(=O)OCCCC 34a_100000038973_100000695029 [0,1,0,0,0,0|1,0,2]=4 411 B14R0.2256 C#CCCCOC(C)C(=O)OCCCC 34a_100000215630_100000759602 [0,1,0,0,0,0|1,0,2]=4 412 B14R0.2256 C#CCCCOC(C)C(=O)OCCCC 7a_100000038973_100011215417 [0,1,0,0,0,0|1,0,2]=4 413 B14R0.2256 C#CCCCOC(C)C(=O)OCCCC 7a_100000215630_100000759602 [0,1,0,0,0,0|1,0,2]=4 414 B14R0.2256 C/C=C/CCOC(C)C(=O)OCCCC 34a_100016278192_100000759602 [0,1,0,0,0,0|1,0,2]=4 415 B14R0.2256 C=CCCCOC(C)C(=O)OCCCC 34a_100000038973_100000757094 [0,1,0,0,0,0|1,0,2]=4 416 B14R0.2256 C=CCCCOC(C)C(=O)OCCCC 34a_100000758997_100000759602 [0,1,0,0,0,0|1,0,2]=4 417 B14R0.2256 C=CCCCOC(C)C(=O)OCCCC 7a_100000038973_100000757094 [0,1,0,0,0,0|1,0,2]=4 418 B14R0.2256 C=CCCCOC(C)C(=O)OCCCC 7a_100000758997_100000759602 [0,1,0,0,0,0|1,0,2]=4 419 B14R0.2256 CC#CCCOC(C)C(=O)OCCCC 34a_100000750427_100000759602 [0,1,0,0,0,0|1,0,2]=4 420 B14R0.2256 CC/C=C\COC(C)C(=O)OCCCC 34a_100000038973_100103147603 [0,1,0,0,0,0|1,0,2]=4 421 B14R0.2256 CC/C=C\COC(C)C(=O)OCCCC 34a_100016268518_100000759602 [0,1,0,0,0,0|1,0,2]=4 422 B14R0.2256 CC/C=C\COC(C)C(=O)OCCCC 7a_100000038973_100103147603 [0,1,0,0,0,0|1,0,2]=4 423 B14R0.2256 CCC#CCOC(C)C(=O)OCCCC 34a_100000032950_100000759602 [0,1,0,0,0,0|1,0,2]=4 424 B14R0.2256 CCC#CCOC(C)C(=O)OCCCC 34a_100000038973_100009813939 [0,1,0,0,0,0|1,0,2]=4 425 B14R0.2256 CCC#CCOC(C)C(=O)OCCCC 7a_100000038973_100009813939 [0,1,0,0,0,0|1,0,2]=4 426 B14R0.2256 CCCCCC(=O)C(C)OCCOCC 1458a_100000743585_100000210326 [0,1,0,0,0,0|2,0,1]=4 427 B14R0.2256 CCCCCC(C)C(=O)COCCCC 1458a_100000757543_200011218191 [0,1,0,0,0,0|2,0,1]=4 428 B14R0.2256 CCCCCC(C)C(=O)COCCCC 1458a_100011215998_100011995733 [0,1,0,0,0,0|2,0,1]=4 429 B14R0.2256 CCCCCN(C)C(=O)COCCCC 11a_100000223495_100000757543 [0,1,0,0,0,0|3,0,0]=4 430 B14R0.2256 CCCCCN(C)C(=O)COCCCC 1626a_100000223495_100000757543 [0,1,0,0,0,0|3,0,0]=4 431 B14R0.2256 CCCCCN(C)C(=O)COCCCC 240690a_100000223495_100000757543 [0,1,0,0,0,0|3,0,0]=4 432 B14R0.2256 CCCCCN(C)C(=O)COCCCC 527a_100000223495_100000757543 [0,1,0,0,0,0|3,0,0]=4 433 B14R0.2256 CCCCCNC(=O)C(C)OCCCC 7a_100000210227_100000735910 [0,1,0,0,0,0|2,0,1]=4 434 B14R0.2256 CCCCCNC(C)C(=O)OCCCC 2230a_100000209983_100000759602 [0,1,0,0,0,0|2,0,1]=4 435 B14R0.2256 CCCCCOC(C)C(=O)NCCCC 34a_100000210253_100000735917 [0,1,0,0,0,0|2,0,1]=4 436 B14R0.2256 CCCCCOC(C)C(=O)NCCCC 7a_100000210253_100000735917 [0,1,0,0,0,0|2,0,1]=4 437 B14R0.2256 CCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000718602 [0,1,0,0,0,0|1,0,1]=3 438 B14R0.2256 CCCCCOC(C)C(=O)OCCCC 34a_100000210253_100000759602 [0,1,0,0,0,0|1,0,1]=3 439 B14R0.2256 CCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210326 [0,1,0,0,0,0|1,0,1]=3 440 B14R0.2256 CCCCCOC(C)C(=O)OCCCC 7a_100000210253_100000759602 [0,1,0,0,0,0|1,0,1]=3 441 B14R0.2256 CCCCCSC(C)C(=O)OCCCC 62a_100000210326_100000759602 [0,1,0,0,0,0|1,1,1]=4 442 B14R0.2256 CCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210326 [0,1,0,0,0,0|1,1,1]=4 443 B14R0.2256 CCCCNC(=O)C(C)OCCCCBr 34a_100011216708_100000735917 [0,1,0,0,0,0|2,0,1]=4 444 B14R0.2256 CCCCNC(=O)C(C)OCCCCCl 34a_100000210776_100000735917 [0,1,0,0,0,0|2,0,1]=4 445 B14R0.2256 CCCCNC(=O)C(C)OCCCCCl 7a_100000210776_100000735917 [0,1,0,0,0,0|2,0,1]=4 446 B14R0.2256 CCCCNC(=O)C(C)OCCCCF 34a_100011995726_100000735917 [0,1,0,0,0,0|2,0,1]=4 447 B14R0.2256 CCCCNC(=O)C(C)OCCCCF 7a_100011995726_100000735917 [0,1,0,0,0,0|2,0,1]=4 448 B14R0.2256 CCCCNC(=O)C(C)OCCCCI 34a_200012148704_100000735917 [0,1,0,0,0,0|2,0,1]=4 449 B14R0.2256 CCCCNC(=O)C(C)OCCCCN 34a_100000750430_100000735917 [0,1,0,0,0,0|2,0,1]=4 450 B14R0.2256 CCCCNC(=O)C(C)OCCCNC 34a_100000213112_100000735917 [0,1,0,0,0,0|2,0,1]=4 451 B14R0.2256 CCCCNC(=O)C(C)OCCCOC 34a_100000740835_100000735917 [0,1,0,0,0,0|2,0,1]=4 452 B14R0.2256 CCCCNC(=O)C(C)OCCCSC 34a_100000690336_100000735917 [0,1,0,0,0,0|2,0,1]=4 453 B14R0.2256 CCCCNC(=O)C(C)OCCCSC 7a_100000690336_100000735917 [0,1,0,0,0,0|2,0,1]=4 454 B14R0.2256 CCCCNC(=O)C(C)OCCOCC 11a_100000102301_100000743585 [0,1,0,0,0,0|2,0,1]=4 455 B14R0.2256 CCCCNC(=O)C(C)OCCOCC 1626a_100000102301_100000743585 [0,1,0,0,0,0|2,0,1]=4 456 B14R0.2256 CCCCNC(=O)C(C)OCCOCC 240690a_100000102301_100000743585 [0,1,0,0,0,0|2,0,1]=4 457 B14R0.2256 CCCCNC(=O)C(C)OCCOCC 34a_100000210136_100000735917 [0,1,0,0,0,0|2,0,1]=4 458 B14R0.2256 CCCCNC(=O)C(C)OCCOCC 527a_100000102301_100000743585 [0,1,0,0,0,0|2,0,1]=4 459 B14R0.2256 CCCCNC(=O)C(C)OCCOCC 7a_100000210136_100000735917 [0,1,0,0,0,0|2,0,1]=4 460 B14R0.2256 CCCCNC(=O)C(C)OCCSCC 34a_100000212035_100000735917 [0,1,0,0,0,0|2,0,1]=4 461 B14R0.2256 CCCCNC(=O)C(C)OCCSCC 7a_100000212035_100000735917 [0,1,0,0,0,0|2,0,1]=4 462 B14R0.2256 CCCCOC(=O)C(C)NCCCCO 2230a_100000750430_100000759602 [0,1,0,0,0,0|2,0,1]=4 463 B14R0.2256 CCCCOC(=O)C(C)NCCCCO 34a_100000750430_100000759602 [0,1,0,0,0,0|2,0,1]=4 464 B14R0.2256 CCCCOC(=O)C(C)NCCCOC 34a_100150723488_100000759602 [0,1,0,0,0,0|2,0,1]=4 465 B14R0.2256 CCCCOC(=O)C(C)NCCCSC 2230a_100000749238_100000759602 [0,1,0,0,0,0|2,0,1]=4 466 B14R0.2256 CCCCOC(=O)C(C)NCCOCC 2230a_102516460346_100000759602 [0,1,0,0,0,0|2,0,1]=4 467 B14R0.2256 CCCCOC(=O)C(C)NCCOCC 34a_102516460346_100000759602 [0,1,0,0,0,0|2,0,1]=4 468 B14R0.2256 CCCCOC(=O)C(C)NCCSCC 2230a_100000106463_100000759602 [0,1,0,0,0,0|2,0,1]=4 469 B14R0.2256 CCCCOC(=O)C(C)OCCCC#N 7a_100000038973_100000687738 [0,1,0,0,0,0|1,0,2]=4 470 B14R0.2256 CCCCOC(=O)C(C)OCCCC=O 7a_100000038973_200011292268 [0,1,0,0,0,0|1,0,2]=4 471 B14R0.2256 CCCCOC(=O)C(C)OCCCCBr 34a_100011216708_100000759602 [0,1,0,0,0,0|1,0,1]=3 472 B14R0.2256 CCCCOC(=O)C(C)OCCCCCl 34a_100000210776_100000759602 [0,1,0,0,0,0|1,0,1]=3 473 B14R0.2256 CCCCOC(=O)C(C)OCCCCCl 7a_100000210776_100000759602 [0,1,0,0,0,0|1,0,1]=3 474 B14R0.2256 CCCCOC(=O)C(C)OCCCCF 34a_100000038973_100000729493 [0,1,0,0,0,0|1,0,1]=3 475 B14R0.2256 CCCCOC(=O)C(C)OCCCCF 34a_100011995726_100000759602 [0,1,0,0,0,0|1,0,1]=3 476 B14R0.2256 CCCCOC(=O)C(C)OCCCCF 7a_100000038973_100000729493 [0,1,0,0,0,0|1,0,1]=3 477 B14R0.2256 CCCCOC(=O)C(C)OCCCCF 7a_100011995726_100000759602 [0,1,0,0,0,0|1,0,1]=3 478 B14R0.2256 CCCCOC(=O)C(C)OCCCCI 34a_200012148704_100000759602 [0,1,0,0,0,0|1,0,1]=3 479 B14R0.2256 CCCCOC(=O)C(C)OCCCCN 34a_100000750430_100000759602 [0,1,0,0,0,0|1,0,1]=3 480 B14R0.2256 CCCCOC(=O)C(C)OCCCCO 34a_100000038973_100011216708 [0,1,0,0,0,0|1,0,1]=3 481 B14R0.2256 CCCCOC(=O)C(C)OCCCCO 7a_100000038973_100000210776 [0,1,0,0,0,0|1,0,1]=3 482 B14R0.2256 CCCCOC(=O)C(C)OCCCNC 34a_100000213112_100000759602 [0,1,0,0,0,0|1,0,1]=3 483 B14R0.2256 CCCCOC(=O)C(C)OCCCOC 34a_100000038973_100000740836 [0,1,0,0,0,0|1,0,1]=3 484 B14R0.2256 CCCCOC(=O)C(C)OCCCOC 34a_100000740835_100000759602 [0,1,0,0,0,0|1,0,1]=3 485 B14R0.2256 CCCCOC(=O)C(C)OCCCOC 7a_100000038973_100000740836 [0,1,0,0,0,0|1,0,1]=3 486 B14R0.2256 CCCCOC(=O)C(C)OCCCSC 34a_100000690336_100000759602 [0,1,0,0,0,0|1,0,1]=3 487 B14R0.2256 CCCCOC(=O)C(C)OCCCSC 7a_100000690336_100000759602 [0,1,0,0,0,0|1,0,1]=3 488 B14R0.2256 CCCCOC(=O)C(C)OCCOCC 34a_100000038973_100000210147 [0,1,0,0,0,0|1,0,1]=3 489 B14R0.2256 CCCCOC(=O)C(C)OCCOCC 34a_100000210136_100000759602 [0,1,0,0,0,0|1,0,1]=3 490 B14R0.2256 CCCCOC(=O)C(C)OCCOCC 7a_100000038973_100011215890 [0,1,0,0,0,0|1,0,1]=3 491 B14R0.2256 CCCCOC(=O)C(C)OCCOCC 7a_100000210136_100000759602 [0,1,0,0,0,0|1,0,1]=3 492 B14R0.2256 CCCCOC(=O)C(C)OCCSCC 34a_100000038973_100000757381 [0,1,0,0,0,0|1,0,1]=3 493 B14R0.2256 CCCCOC(=O)C(C)OCCSCC 34a_100000212035_100000759602 [0,1,0,0,0,0|1,0,1]=3 494 B14R0.2256 CCCCOC(=O)C(C)OCCSCC 7a_100000038973_100000757381 [0,1,0,0,0,0|1,0,1]=3 495 B14R0.2256 CCCCOC(=O)C(C)OCCSCC 7a_100000212035_100000759602 [0,1,0,0,0,0|1,0,1]=3 496 B14R0.2256 CCCCOC(=O)C(C)SCCCCF 62a_100000729493_100000759602 [0,1,0,0,0,0|1,1,1]=4 497 B14R0.2256 CCCCOC(=O)C(C)SCCCCF 62a_100000759602_100000729493 [0,1,0,0,0,0|1,1,1]=4 498 B14R0.2256 CCCCOC(=O)C(C)SCCCCO 62a_100000210776_100000759602 [0,1,0,0,0,0|1,1,1]=4 499 B14R0.2256 CCCCOC(=O)C(C)SCCCCO 62a_100000759602_100000210776 [0,1,0,0,0,0|1,1,1]=4 500 B14R0.2256 CCCCOC(=O)C(C)SCCCOC 62a_100000709357_100000759602 [0,1,0,0,0,0|1,1,1]=4 501 B14R0.2256 CCCCOC(=O)C(C)SCCCOC 62a_100000759602_100000709357 [0,1,0,0,0,0|1,1,1]=4 502 B14R0.2256 CCCCOC(=O)C(C)SCCOCC 62a_100000210147_100000759602 [0,1,0,0,0,0|1,1,1]=4 503 B14R0.2256 CCCCOC(=O)C(C)SCCOCC 62a_100000759602_100011215890 [0,1,0,0,0,0|1,1,1]=4 504 B14R0.2256 CCCCOC(=O)C(C)SCCSCC 62a_100000757381_100000759602 [0,1,0,0,0,0|1,1,1]=4 505 B14R0.2256 CCCCOC(=O)C(C)SCCSCC 62a_100000759602_100000757381 [0,1,0,0,0,0|1,1,1]=4 506 B14R0.2256 CCCCOC(C)C(=O)NCCCOC 7a_100000210227_100000735919 [0,1,0,0,0,0|2,0,1]=4 507 B14R0.2256 CCCCOCC(=O)C(C)SCCCC 1458a_100000191163_100011995733 [0,1,0,0,0,0|1,1,1]=4 508 B14R0.2424 CCCCNC(=O)C(C)OC(C)CCC 34a_100000764384_100000735917 [0,1,0,0,0,0|2,0,1]=4 509 B14R0.2424 CCCCNC(=O)C(C)OC(C)CCC 7a_100000764384_100000735917 [0,1,0,0,0,0|2,0,1]=4 510 B14R0.2424 CCCCOC(=O)C(C)NC(C)CCC 2230a_100000741246_100000759602 [0,1,0,0,0,0|2,0,1]=4 511 B14R0.2424 CCCCOC(=O)C(C)OC(C)CCBr 34a_100012276601_100000759602 [0,1,0,0,0,0|2,0,1]=4 512 B14R0.2424 CCCCOC(=O)C(C)OC(C)CCC 34a_100000038973_100000766640 [0,1,0,0,0,0|1,0,1]=3 513 B14R0.2424 CCCCOC(=O)C(C)OC(C)CCC 34a_100000764384_100000759602 [0,1,0,0,0,0|1,0,1]=3 514 B14R0.2424 CCCCOC(=O)C(C)OC(C)CCC 7a_100000038973_100000766640 [0,1,0,0,0,0|1,0,1]=3 515 B14R0.2424 CCCCOC(=O)C(C)OC(C)CCC 7a_100000764384_100000759602 [0,1,0,0,0,0|1,0,1]=3 516 B14R0.2424 CCCCOC(=O)C(C)OC(C)CCO 34a_100000038973_100009893172 [0,1,0,0,0,0|2,0,1]=4 517 B14R0.2424 CCCCOC(=O)C(C)OC(C)CCO 7a_100000038973_100009893172 [0,1,0,0,0,0|2,0,1]=4 518 B14R0.2424 CCCCOC(=O)C(C)OC(C)COC 34a_100000038973_100000765312 [0,1,0,0,0,0|2,0,1]=4 519 B14R0.2424 CCCCOC(=O)C(C)OC(C)COC 7a_100000038973_100000765312 [0,1,0,0,0,0|2,0,1]=4 520 B14R0.2424 CCCCOC(=O)C(C)O[C@H](C)COC 34a_100011934205_100000759602 [0,1,0,0,0,0|2,0,1]=4 521 B14R0.2424 CCCCOC(=O)C(C)SC(C)CCC 62a_100000759602_100000766640 [0,1,0,0,0,0|1,1,1]=4 522 B14R0.2424 CCCCOC(=O)C(C)SC(C)CCC 62a_100000766640_100000759602 [0,1,0,0,0,0|1,1,1]=4 523 B14R0.2424 CCCCOC(C)C(=O)NC(C)CCC 34a_100000210227_100000735934 [0,1,0,0,0,0|2,0,1]=4 524 B14R0.2424 CCCCOC(C)C(=O)NC(C)CCC 7a_100000210227_100000735934 [0,1,0,0,0,0|2,0,1]=4 525 B14R1.107 CCCCOC(=O)C(C)N1CCCC1 2230a_100000188435_100000759602 [0,0,0,1,0,0|2,0,1]=4 526 B14R1.107 CCCCOC(=O)C(C)N1CCCC1 269982a_100000188435_100000759602 [0,0,0,1,0,0|2,0,1]=4 527 B14R1.107 CCCCOC(C)C(=O)N1CCCC1 7a_100000210227_100000183899 [0,0,0,1,0,0|2,0,1]=4 528 B14R1.107 CCCCO[C@@H](C)C(=O)N1CCCC1 34a_100009854435_100000210210 [0,0,0,1,0,0|2,0,1]=4 529 B14R1.107 CCCCO[C@@H](C)C(=O)N1CCCC1 7a_100009854435_100000210211 [0,0,0,1,0,0|2,0,1]=4 530 B14R1.3727 CCCCNC(=O)C(C)OC1CCC1 34a_100000748187_100000735917 [0,0,0,1,0,0|2,0,1]=4 531 B14R1.3727 CCCCOC(=O)C(C)NC1CCC1 2230a_100000749019_100000759602 [0,0,0,1,0,0|2,0,1]=4 532 B14R1.3727 CCCCOC(=O)C(C)NC1CCC1 34a_100000749019_100000759602 [0,0,0,1,0,0|2,0,1]=4 533 B14R1.3727 CCCCOC(=O)C(C)OC1CCC1 34a_100000038973_100000749161 [0,0,0,1,0,0|1,0,1]=3 534 B14R1.3727 CCCCOC(=O)C(C)OC1CCC1 34a_100000748187_100000759602 [0,0,0,1,0,0|1,0,1]=3 535 B14R1.3727 CCCCOC(=O)C(C)OC1COC1 34a_100000038973_100009818527 [0,0,0,1,0,0|2,0,1]=4 536 B14R1.3727 CCCCOC(=O)C(C)OC1COC1 7a_100000038973_100009818527 [0,0,0,1,0,0|2,0,1]=4 537 B14R1.3727 CCCCOC(=O)C(C)OC1CSC1 7a_100000072292_100000759602 [0,0,0,1,0,0|2,0,1]=4 538 B14R1.3727 CCCCOC(=O)C(C)SC1CCC1 62a_100000759602_100000749161 [0,0,0,1,0,0|1,1,1]=4 539 B14R1.3728 CCCCNC(=O)C(C)OCC1CC1 34a_100000211283_100000735917 [0,0,0,1,0,0|2,0,1]=4 540 B14R1.3728 CCCCOC(=O)C(C)NCC1CC1 2230a_100000735609_100000759602 [0,0,0,1,0,0|2,0,1]=4 541 B14R1.3728 CCCCOC(=O)C(C)NCC1CC1 34a_100000735609_100000759602 [0,0,0,1,0,0|2,0,1]=4 542 B14R1.3728 CCCCOC(=O)C(C)OCC1CC1 34a_100000038973_100000742324 [0,0,0,1,0,0|1,0,1]=3 543 B14R1.3728 CCCCOC(=O)C(C)OCC1CC1 34a_100000211283_100000759602 [0,0,0,1,0,0|1,0,1]=3 544 B14R1.3728 CCCCOC(=O)C(C)OCC1CC1 7a_100000038973_100000742324 [0,0,0,1,0,0|1,0,1]=3 545 B14R1.3728 CCCCOC(=O)C(C)OCC1CO1 34a_100000038973_102125554688 [0,0,0,1,0,0|2,0,1]=4 546 B14R1.3728 CCCCOC(=O)C(C)OCC1CO1 7a_100000038973_102125554688 [0,0,0,1,0,0|2,0,1]=4 547 B14R1.3728 CCCCOC(=O)C(C)OCC1CS1 7a_100000038973_100000031435 [0,0,0,1,0,0|2,0,1]=4 548 B14R1.3728 CCCCOC(=O)C(C)OC[C@@H]1CO1 34a_100000757423_100000759602 [0,0,0,1,0,0|2,0,1]=4 549 B14R1.3728 CCCCOC(=O)C(C)OC[C@@H]1CO1 7a_100000038973_100000745022 [0,0,0,1,0,0|2,0,1]=4 550 B14R1.3728 CCCCOC(=O)C(C)SCC1CC1 62a_100000756562_100000759602 [0,0,0,1,0,0|1,1,1]=4 551 B14R1.3728 CCCCOC(=O)C(C)SCC1CC1 62a_100000759602_100000742324 [0,0,0,1,0,0|1,1,1]=4 552 B14R1.3729 CCCCOC(=O)C(C)N1CCC1C 269982a_100000755817_100000759602 [0,0,0,1,0,0|2,0,1]=4 553 B14R1.3729 CCCCOC(=O)C(C)N1CCC1C 34a_100000755817_100000759602 [0,0,0,1,0,0|2,0,1]=4 554 B14R0.1444 C#CCCCC(=O)CC(=O)OCCCC 1458a_100000690238_100000211628 [0,0,0,0,0,1|1,0,2]=4 555 B14R0.1444 C=CCCCC(=O)CC(=O)OCCCC 1458a_100000766728_100000211628 [0,0,0,0,0,1|1,0,2]=4 556 B14R0.1444 CC/C=C/CC(=O)CC(=O)OCCCC 1458a_100016274230_100000211628 [0,0,0,0,0,1|1,0,2]=4 557 B14R0.1444 CCCC#CC(=O)CC(=O)CCCCC 1458a_200011218047_200012276598 [0,0,0,0,0,1|2,0,1]=4 558 B14R0.1444 CCCC#CC(=O)CC(=O)NCCCC 1458a_200011218047_100000182744 [0,0,0,0,0,1|2,0,1]=4 559 B14R0.1444 CCCC#CC(=O)CC(=O)OCCCC 1458a_200011218047_100000211628 [0,0,0,0,0,1|1,0,1]=3 560 B14R0.1444 CCCC#CC(=O)CC(=O)OCCOC 1458a_200011218047_200000040189 [0,0,0,0,0,1|2,0,1]=4 561 B14R0.1444 CCCC=CC(=O)CC(=O)CCCCC 1458a_100000212230_200012276598 [0,0,0,0,0,1|2,0,1]=4 562 B14R0.1444 CCCC=CC(=O)CC(=O)NCCCC 1458a_100000212230_100000182744 [0,0,0,0,0,1|2,0,1]=4 563 B14R0.1444 CCCC=CC(=O)CC(=O)OCCCC 1458a_100000212230_100000211628 [0,0,0,0,0,1|1,0,1]=3 564 B14R0.1444 CCCC=CC(=O)CC(=O)OCCOC 1458a_100000212230_200000040189 [0,0,0,0,0,1|2,0,1]=4 565 B14R0.1444 CCCCCC(=O)CC(=O)CCCCC 1458a_100000212188_200012276598 [0,0,0,0,0,1|2,0,0]=3 566 B14R0.1444 CCCCCC(=O)CC(=O)CCCCO 1458a_100000695505_200012276598 [0,0,0,0,0,1|3,0,0]=4 567 B14R0.1444 CCCCCC(=O)CC(=O)CCCOC 1458a_100000741012_200012276598 [0,0,0,0,0,1|3,0,0]=4 568 B14R0.1444 CCCCCC(=O)CC(=O)CCCSC 1458a_100000173376_200012276598 [0,0,0,0,0,1|3,0,0]=4 569 B14R0.1444 CCCCCC(=O)CC(=O)CCOCC 1458a_100000749530_200012276598 [0,0,0,0,0,1|3,0,0]=4 570 B14R0.1444 CCCCCC(=O)CC(=O)CCSCC 1458a_100000230768_200012276598 [0,0,0,0,0,1|3,0,0]=4 571 B14R0.1444 CCCCCC(=O)CC(=O)COCCC 1458a_100000745993_200012276598 [0,0,0,0,0,1|3,0,0]=4 572 B14R0.1444 CCCCCC(=O)CC(=O)CSCCC 1458a_100000217233_200012276598 [0,0,0,0,0,1|3,0,0]=4 573 B14R0.1444 CCCCCC(=O)CC(=O)NCCCC 1458a_100000212188_100000182744 [0,0,0,0,0,1|2,0,0]=3 574 B14R0.1444 CCCCCC(=O)CC(=O)NCCOC 1458a_100000212188_100000183275 [0,0,0,0,0,1|3,0,0]=4 575 B14R0.1444 CCCCCC(=O)CC(=O)OCCCC 1458a_100000212188_100000211628 [0,0,0,0,0,1|1,0,0]=2 576 B14R0.1444 CCCCCC(=O)CC(=O)OCCOC 1458a_100000212188_200000040189 [0,0,0,0,0,1|2,0,0]=3 577 B14R0.1444 CCCCCN(C)CC(=O)OCCCC 2230a_100000223495_100000211628 [0,0,0,0,0,1|3,0,0]=4 578 B14R0.1444 CCCCCN(C)CC(=O)OCCCC 269982a_100000223495_100000211628 [0,0,0,0,0,1|3,0,0]=4 579 B14R0.1444 CCCCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000182744 [0,0,0,0,0,1|3,0,0]=4 580 B14R0.1444 CCCCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000182744 [0,0,0,0,0,1|3,0,0]=4 581 B14R0.1444 CCCCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000182744 [0,0,0,0,0,1|3,0,0]=4 582 B14R0.1444 CCCCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000182744 [0,0,0,0,0,1|3,0,0]=4 583 B14R0.1444 CCCCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000182744 [0,0,0,0,0,1|3,0,0]=4 584 B14R0.1444 CCCCNC(=O)CC(=O)COCCC 1458a_100000745993_100000182744 [0,0,0,0,0,1|3,0,0]=4 585 B14R0.1444 CCCCNC(=O)CC(=O)CSCCC 1458a_100000217233_100000182744 [0,0,0,0,0,1|3,0,0]=4 586 B14R0.1444 CCCCNC(=O)NC(=O)CSCCC 62a_100000210303_100000209831 [0,0,0,0,0,1|3,0,0]=4 587 B14R0.1444 CCCCOC(=O)CC(=NNCCC)C 4a_100000740057_200000022843 [0,0,0,0,0,1|3,0,0]=4 588 B14R0.1444 CCCCOC(=O)CC(=O)C=CCOC 1458a_100016285016_100000211628 [0,0,0,0,0,1|2,0,1]=4 589 B14R0.1444 CCCCOC(=O)CC(=O)C=COCC 1458a_100016266692_100000211628 [0,0,0,0,0,1|2,0,1]=4 590 B14R0.1444 CCCCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000211628 [0,0,0,0,0,1|2,0,1]=4 591 B14R0.1444 CCCCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000211628 [0,0,0,0,0,1|2,0,0]=3 592 B14R0.1444 CCCCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000211628 [0,0,0,0,0,1|2,0,0]=3 593 B14R0.1444 CCCCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000211628 [0,0,0,0,0,1|2,0,0]=3 594 B14R0.1444 CCCCOC(=O)CC(=O)CCOCC 1458a_100000749530_100000211628 [0,0,0,0,0,1|2,0,0]=3 595 B14R0.1444 CCCCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000211628 [0,0,0,0,0,1|2,0,0]=3 596 B14R0.1444 CCCCOC(=O)CC(=O)COCCC 1458a_100000745993_100000211628 [0,0,0,0,0,1|2,0,0]=3 597 B14R0.1444 CCCCOC(=O)CC(=O)COCCO 1458a_100000708028_100000211628 [0,0,0,0,0,1|3,0,0]=4 598 B14R0.1444 CCCCOC(=O)CC(=O)CSCCC 1458a_100000217233_100000211628 [0,0,0,0,0,1|2,0,0]=3 599 B14R0.1444 CCCOCC(=O)CC(=O)OCCOC 1458a_100000745993_200000040189 [0,0,0,0,0,1|3,0,0]=4 600 B14R0.1444 CCCSCC(=O)CC(=O)OCCOC 1458a_100000217233_200000040189 [0,0,0,0,0,1|3,0,0]=4 601 B14R0.1444 CCOCCC(=O)CC(=O)OCCOC 1458a_100000749530_200000040189 [0,0,0,0,0,1|3,0,0]=4 602 B14R0.1444 CCSCCC(=O)CC(=O)OCCOC 1458a_100000230768_200000040189 [0,0,0,0,0,1|3,0,0]=4 603 B14R0.1444 COCCCC(=O)CC(=O)OCCOC 1458a_100000741012_200000040189 [0,0,0,0,0,1|3,0,0]=4 604 B14R0.1444 COCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200000040189 [0,0,0,0,0,1|3,0,0]=4 605 B14R0.1444 COCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200000040189 [0,0,0,0,0,1|3,0,0]=4 606 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [2,0,0,0,0,0|1,0,1]=4 607 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [2,0,0,0,0,0|1,0,1]=4 608 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [2,0,0,0,0,0|0,0,2]=4 609 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [2,0,0,0,0,0|0,0,2]=4 610 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [2,0,0,0,0,0|0,0,2]=4 611 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [2,0,0,0,0,0|0,0,2]=4 612 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [2,0,0,0,0,0|1,0,1]=4 613 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [2,0,0,0,0,0|1,0,0]=3 614 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [2,0,0,0,0,0|2,0,0]=4 615 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [2,0,0,0,0,0|2,0,0]=4 616 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [2,0,0,0,0,0|2,0,0]=4 617 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [2,0,0,0,0,0|2,0,0]=4 618 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [2,0,0,0,0,0|2,0,0]=4 619 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [2,0,0,0,0,0|2,0,0]=4 620 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [2,0,0,0,0,0|2,0,0]=4 621 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [2,0,0,0,0,0|1,0,1]=4 622 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [2,0,0,0,0,0|1,0,1]=4 623 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [2,0,0,0,0,0|2,0,0]=4 624 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [2,0,0,0,0,0|2,0,0]=4 625 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [2,0,0,0,0,0|2,0,0]=4 626 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [2,0,0,0,0,0|2,0,0]=4 627 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [2,0,0,0,0,0|1,0,1]=4 628 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [2,0,0,0,0,0|1,0,1]=4 629 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [2,0,0,0,0,0|2,0,0]=4 630 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [2,0,0,0,0,0|0,0,1]=3 631 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [2,0,0,0,0,0|0,0,1]=3 632 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [2,0,0,0,0,0|1,0,1]=4 633 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [2,0,0,0,0,0|1,0,1]=4 634 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [2,0,0,0,0,0|1,0,1]=4 635 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [2,0,0,0,0,0|1,0,1]=4 636 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [2,0,0,0,0,0|1,0,1]=4 637 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [2,0,0,0,0,0|1,0,1]=4 638 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [2,0,0,0,0,0|1,0,1]=4 639 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [2,0,0,0,0,0|1,0,1]=4 640 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [2,0,0,0,0,0|1,0,1]=4 641 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [2,0,0,0,0,0|1,0,1]=4 642 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [2,0,0,0,0,0|1,0,1]=4 643 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [2,0,0,0,0,0|1,0,1]=4 644 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [2,0,0,0,0,0|1,0,1]=4 645 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [2,0,0,0,0,0|1,0,1]=4 646 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [2,0,0,0,0,0|0,0,1]=3 647 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [2,0,0,0,0,0|0,0,1]=3 648 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [2,0,0,0,0,0|0,1,1]=4 649 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [2,0,0,0,0,0|0,1,1]=4 650 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [2,0,0,0,0,0|0,1,1]=4 651 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [2,0,0,0,0,0|1,0,1]=4 652 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [2,0,0,0,0,0|1,0,1]=4 653 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [2,0,0,0,0,0|1,0,1]=4 654 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [2,0,0,0,0,0|1,0,1]=4 655 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [2,0,0,0,0,0|1,0,1]=4 656 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [2,0,0,0,0,0|1,0,1]=4 657 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [2,0,0,0,0,0|1,0,1]=4 658 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [2,0,0,0,0,0|1,0,1]=4 659 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [2,0,0,0,0,0|1,0,1]=4 660 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [2,0,0,0,0,0|1,0,1]=4 661 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [2,0,0,0,0,0|1,0,1]=4 662 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [2,0,0,0,0,0|1,0,1]=4 663 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [2,0,0,0,0,0|1,0,1]=4 664 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [2,0,0,0,0,0|1,0,1]=4 665 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [2,0,0,0,0,0|1,0,1]=4 666 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [2,0,0,0,0,0|1,0,1]=4 667 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [2,0,0,0,0,0|1,0,1]=4 668 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [2,0,0,0,0,0|1,0,1]=4 669 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [2,0,0,0,0,0|1,0,1]=4 670 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [2,0,0,0,0,0|1,0,1]=4 671 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [2,0,0,0,0,0|1,0,1]=4 672 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [2,0,0,0,0,0|1,0,1]=4 673 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [2,0,0,0,0,0|1,0,1]=4 674 B11R0.140 CCCCNC(=O)NCCCC 2708a_100000102301_100000102301 [2,0,0,0,0,0|2,0,0]=4 675 B11R0.140 CCCCNC(=O)NCCCC 273464a_100000102301_100000102301 [2,0,0,0,0,0|2,0,0]=4 676 B11R0.140 CCCCNC(=O)NCCCC 512a_100000102301_100000102301 [2,0,0,0,0,0|2,0,0]=4 677 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [2,0,0,0,0,0|1,0,1]=4 678 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [2,0,0,0,0,0|0,0,1]=3 679 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [2,0,0,0,0,0|1,0,1]=4 680 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [2,0,0,0,0,0|0,1,1]=4 681 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [2,0,0,0,0,0|0,1,1]=4 682 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [2,0,0,0,0,0|1,0,1]=4 683 B11R0.11 CCC/C=C(\C)/C(=O)CCCC 1458a_200020648666_100000210211 [2,0,0,0,0,0|1,0,1]=4 684 B11R0.11 CCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210211 [2,0,0,0,0,0|1,0,0]=3 685 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [2,0,0,0,0,0|1,0,1]=4 686 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [2,0,0,0,0,0|1,0,1]=4 687 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [2,0,0,0,0,0|0,0,2]=4 688 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [2,0,0,0,0,0|2,0,0]=4 689 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [2,0,0,0,0,0|2,0,0]=4 690 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [2,0,0,0,0,0|2,0,0]=4 691 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [2,0,0,0,0,0|2,0,0]=4 692 B11R0.11 CCCNC(=O)C(=O)CCCF 1458a_200011297150_100011934791 [2,0,0,0,0,0|2,0,0]=4 693 B11R0.11 CCCNC(=O)C(=O)CCCO 1458a_200011297150_100011215043 [2,0,0,0,0,0|2,0,0]=4 694 B11R0.11 CCCNC(=O)C(=O)CCOC 1458a_200011297150_100000233755 [2,0,0,0,0,0|2,0,0]=4 695 B11R0.11 CCCNC(=O)C(=O)CCSC 1458a_200011297150_100000751147 [2,0,0,0,0,0|2,0,0]=4 696 B11R0.11 CCCNC(=O)C(=O)NCCC 1626a_100020643023_200011297150 [2,0,0,0,0,0|2,0,0]=4 697 B11R0.11 CCCNC(=O)C(=O)NCCC 240690a_100020643023_200011297150 [2,0,0,0,0,0|2,0,0]=4 698 B11R0.11 CCCNC(=O)C(=O)NCCC 527a_100020643023_200011297150 [2,0,0,0,0,0|2,0,0]=4 699 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [2,0,0,0,0,0|1,0,1]=4 700 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [2,0,0,0,0,0|1,0,1]=4 701 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [2,0,0,0,0,0|1,0,1]=4 702 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [2,0,0,0,0,0|2,0,0]=4 703 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [2,0,0,0,0,0|2,0,0]=4 704 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [2,0,0,0,0,0|2,0,0]=4 705 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [2,0,0,0,0,0|2,0,0]=4 706 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [2,0,0,0,0,0|1,0,0]=3 707 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [2,0,0,0,0,0|1,0,0]=3 708 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [2,0,0,0,0,0|1,0,0]=3 709 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [2,0,0,0,0,0|1,0,1]=4 710 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [2,0,0,0,0,0|1,0,1]=4 711 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [2,0,0,0,0,0|1,0,1]=4 712 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [2,0,0,0,0,0|1,0,1]=4 713 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [2,0,0,0,0,0|1,0,1]=4 714 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [2,0,0,0,0,0|1,0,1]=4 715 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [2,0,0,0,0,0|1,0,1]=4 716 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [2,0,0,0,0,0|1,0,1]=4 717 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [2,0,0,0,0,0|2,0,0]=4 718 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [2,0,0,0,0,0|2,0,0]=4 719 B11R0.155 CCOC(=O)C(=O)NCCCF 11a_100015189416_100014798877 [2,0,0,0,0,0|2,0,0]=4 720 B11R0.155 CCOC(=O)C(=O)NCCCF 1626a_100015189416_100014798877 [2,0,0,0,0,0|2,0,0]=4 721 B11R0.155 CCOC(=O)C(=O)NCCCF 240690a_100015189416_100014798877 [2,0,0,0,0,0|2,0,0]=4 722 B11R0.155 CCOC(=O)C(=O)NCCCO 240690a_100000182051_100014798877 [2,0,0,0,0,0|2,0,0]=4 723 B11R0.155 CCOC(=O)C(=O)NCCOC 1626a_100000209980_100014798877 [2,0,0,0,0,0|2,0,0]=4 724 B11R0.155 CCOC(=O)C(=O)NCCOC 240690a_100000209980_100014798877 [2,0,0,0,0,0|2,0,0]=4 725 B11R0.155 CCOC(=O)C(=O)NCCSC 11a_100020590264_100014798877 [2,0,0,0,0,0|2,0,0]=4 726 B11R0.155 CCOC(=O)C(=O)NCCSC 1626a_100020590264_100014798877 [2,0,0,0,0,0|2,0,0]=4 727 B11R0.155 CCOC(=O)C(=O)NCCSC 240690a_100020590264_100014798877 [2,0,0,0,0,0|2,0,0]=4 728 B13R0.1 CCCCC=CC(=O)CCCC(C)C 1458a_100016266645_100011214892 [1,1,0,0,0,0|2,0,0]=4 729 B13R0.1 CCCCC=CC(=O)CCCC(C)O 1458a_100016266645_200000718107 [1,1,0,0,0,0|2,0,0]=4 730 B13R0.1 CCCCC=CC(=O)NCCC(C)C 11a_100000210545_100016266645 [1,1,0,0,0,0|2,0,0]=4 731 B13R0.1 CCCCC=CC(=O)NCCC(C)C 1626a_100000210545_100016266645 [1,1,0,0,0,0|2,0,0]=4 732 B13R0.1 CCCCC=CC(=O)NCCC(C)C 240690a_100000210545_100016266645 [1,1,0,0,0,0|2,0,0]=4 733 B13R0.1 CCCCC=CC(=O)NCCC(C)O 240690a_200000755665_100016266645 [1,1,0,0,0,0|2,0,0]=4 734 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100000757543_100011214892 [1,1,0,0,0,0|1,0,1]=4 735 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100011216857_100011995733 [1,1,0,0,0,0|1,0,1]=4 736 B13R0.1 CCCCOCC(=O)CCCC(C)O 1458a_100000757543_200000718107 [1,1,0,0,0,0|1,0,1]=4 737 B13R0.1 CCCCOCC(=O)NCCC(C)C 11a_100000210545_100000757543 [1,1,0,0,0,0|1,0,1]=4 738 B13R0.1 CCCCOCC(=O)NCCC(C)C 1626a_100000210545_100000757543 [1,1,0,0,0,0|1,0,1]=4 739 B13R0.1 CCCCOCC(=O)NCCC(C)C 240690a_100000210545_100000757543 [1,1,0,0,0,0|1,0,1]=4 740 B13R0.1 CCCCOCC(=O)NCCC(C)C 527a_100000210545_100000757543 [1,1,0,0,0,0|1,0,1]=4 741 B13R0.1 CCCCOCC(=O)NCCC(C)O 240690a_200000755665_100000757543 [1,1,0,0,0,0|1,0,1]=4 742 B13R0.1 CCCCOCC(=O)NCCC(C)O 527a_200000755665_100000757543 [1,1,0,0,0,0|1,0,1]=4 743 B13R0.165 CCCCC=CC(=O)CCCCCC 1458a_100016266645_100000210757 [1,1,0,0,0,0|2,0,0]=4 744 B13R0.165 CCCCC=CC(=O)CCCCCF 1458a_100016266645_100000729378 [1,1,0,0,0,0|2,0,0]=4 745 B13R0.165 CCCCC=CC(=O)CCCCCO 1458a_100016266645_100000746330 [1,1,0,0,0,0|2,0,0]=4 746 B13R0.165 CCCCC=CC(=O)CCCCOC 1458a_100016266645_100000755781 [1,1,0,0,0,0|2,0,0]=4 747 B13R0.165 CCCCC=CC(=O)CCCOCC 1458a_100016266645_100012232248 [1,1,0,0,0,0|2,0,0]=4 748 B13R0.165 CCCCC=CC(=O)CCOCCC 1458a_100016266645_100011215938 [1,1,0,0,0,0|2,0,0]=4 749 B13R0.165 CCCCC=CC(=O)COCCCC 1458a_100016266645_100011995733 [1,1,0,0,0,0|1,0,0]=3 750 B13R0.165 CCCCC=CC(=O)NCCCCC 11a_100000209983_100016266645 [1,1,0,0,0,0|2,0,0]=4 751 B13R0.165 CCCCC=CC(=O)NCCCCC 1626a_100000209983_100016266645 [1,1,0,0,0,0|2,0,0]=4 752 B13R0.165 CCCCC=CC(=O)NCCCCC 240690a_100000209983_100016266645 [1,1,0,0,0,0|2,0,0]=4 753 B13R0.165 CCCCC=CC(=O)NCCCCO 240690a_100000750430_100016266645 [1,1,0,0,0,0|2,0,0]=4 754 B13R0.165 CCCCC=CC(=O)NCCCOC 1626a_100150723488_100016266645 [1,1,0,0,0,0|2,0,0]=4 755 B13R0.165 CCCCC=CC(=O)NCCCOC 240690a_100150723488_100016266645 [1,1,0,0,0,0|2,0,0]=4 756 B13R0.165 CCCCC=CC(=O)NCCCSC 11a_100000749238_100016266645 [1,1,0,0,0,0|2,0,0]=4 757 B13R0.165 CCCCC=CC(=O)NCCCSC 1626a_100000749238_100016266645 [1,1,0,0,0,0|2,0,0]=4 758 B13R0.165 CCCCC=CC(=O)NCCCSC 240690a_100000749238_100016266645 [1,1,0,0,0,0|2,0,0]=4 759 B13R0.165 CCCCC=CC(=O)NCCOCC 11a_100011200944_100016266645 [1,1,0,0,0,0|2,0,0]=4 760 B13R0.165 CCCCC=CC(=O)NCCOCC 1626a_102516460346_100016266645 [1,1,0,0,0,0|2,0,0]=4 761 B13R0.165 CCCCC=CC(=O)NCCOCC 240690a_100011200944_100016266645 [1,1,0,0,0,0|2,0,0]=4 762 B13R0.165 CCCCC=CC(=O)NCCSCC 11a_100000106463_100016266645 [1,1,0,0,0,0|2,0,0]=4 763 B13R0.165 CCCCC=CC(=O)NCCSCC 1626a_100000106463_100016266645 [1,1,0,0,0,0|2,0,0]=4 764 B13R0.165 CCCCC=CC(=O)NCCSCC 240690a_100000106463_100016266645 [1,1,0,0,0,0|2,0,0]=4 765 B13R0.165 CCCCC=CC(=O)NNCCCC 22a_100025702795_100016266645 [1,1,0,0,0,0|2,0,0]=4 766 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100000757543_100000210757 [1,1,0,0,0,0|1,0,1]=4 767 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100102632555_100011995733 [1,1,0,0,0,0|1,0,1]=4 768 B13R0.165 CCCCCNC(=O)COCCCC 11a_100000209983_100000757543 [1,1,0,0,0,0|1,0,1]=4 769 B13R0.165 CCCCCNC(=O)COCCCC 1626a_100000209983_100000757543 [1,1,0,0,0,0|1,0,1]=4 770 B13R0.165 CCCCCNC(=O)COCCCC 240690a_100000209983_100000757543 [1,1,0,0,0,0|1,0,1]=4 771 B13R0.165 CCCCCNC(=O)COCCCC 34a_100000210227_100000230301 [1,1,0,0,0,0|1,0,1]=4 772 B13R0.165 CCCCCNC(=O)COCCCC 527a_100000209983_100000757543 [1,1,0,0,0,0|1,0,1]=4 773 B13R0.165 CCCCCNC(=O)COCCCC 7a_100000210227_100000230301 [1,1,0,0,0,0|1,0,1]=4 774 B13R0.165 CCCCNCC(=O)OCCOCC 2230a_100000102301_200000101388 [1,1,0,0,0,0|1,0,1]=4 775 B13R0.165 CCCCNCC(=O)OCCOCC 7a_106832991798_200000101388 [1,1,0,0,0,0|1,0,1]=4 776 B13R0.165 CCCCNNC(=O)COCCCC 22a_100025702795_100000757543 [1,1,0,0,0,0|1,0,1]=4 777 B13R0.165 CCCCOCC(=O)CCCCCF 1458a_100000757543_100000729378 [1,1,0,0,0,0|1,0,1]=4 778 B13R0.165 CCCCOCC(=O)CCCCCO 1458a_100000757543_100000746330 [1,1,0,0,0,0|1,0,1]=4 779 B13R0.165 CCCCOCC(=O)CCCCCO 1458a_100102619762_100011995733 [1,1,0,0,0,0|1,0,1]=4 780 B13R0.165 CCCCOCC(=O)CCCCOC 1458a_100000757543_100000755781 [1,1,0,0,0,0|1,0,1]=4 781 B13R0.165 CCCCOCC(=O)CCCOCC 1458a_100000757543_100012232248 [1,1,0,0,0,0|1,0,1]=4 782 B13R0.165 CCCCOCC(=O)CCOCCC 1458a_100000757543_100011215938 [1,1,0,0,0,0|1,0,1]=4 783 B13R0.165 CCCCOCC(=O)COCCCC 1458a_100000757543_100011995733 [1,1,0,0,0,0|0,0,1]=3 784 B13R0.165 CCCCOCC(=O)COCCOC 1458a_100000211095_100011995733 [1,1,0,0,0,0|1,0,1]=4 785 B13R0.165 CCCCOCC(=O)CSCCCC 1458a_100000191162_100011995733 [1,1,0,0,0,0|0,1,1]=4 786 B13R0.165 CCCCOCC(=O)NCCCCO 240690a_100000750430_100000757543 [1,1,0,0,0,0|1,0,1]=4 787 B13R0.165 CCCCOCC(=O)NCCCCO 527a_100000750430_100000757543 [1,1,0,0,0,0|1,0,1]=4 788 B13R0.165 CCCCOCC(=O)NCCCOC 1626a_100150723488_100000757543 [1,1,0,0,0,0|1,0,1]=4 789 B13R0.165 CCCCOCC(=O)NCCCOC 240690a_100150723488_100000757543 [1,1,0,0,0,0|1,0,1]=4 790 B13R0.165 CCCCOCC(=O)NCCCOC 34a_100000210227_100000183178 [1,1,0,0,0,0|1,0,1]=4 791 B13R0.165 CCCCOCC(=O)NCCCOC 527a_100150723488_100000757543 [1,1,0,0,0,0|1,0,1]=4 792 B13R0.165 CCCCOCC(=O)NCCCOC 7a_100000210227_100000183178 [1,1,0,0,0,0|1,0,1]=4 793 B13R0.165 CCCCOCC(=O)NCCCSC 11a_100000749238_100000757543 [1,1,0,0,0,0|1,0,1]=4 794 B13R0.165 CCCCOCC(=O)NCCCSC 1626a_100000749238_100000757543 [1,1,0,0,0,0|1,0,1]=4 795 B13R0.165 CCCCOCC(=O)NCCCSC 240690a_100000749238_100000757543 [1,1,0,0,0,0|1,0,1]=4 796 B13R0.165 CCCCOCC(=O)NCCCSC 527a_100000749238_100000757543 [1,1,0,0,0,0|1,0,1]=4 797 B13R0.165 CCCCOCC(=O)NCCOCC 11a_100011200944_100000757543 [1,1,0,0,0,0|1,0,1]=4 798 B13R0.165 CCCCOCC(=O)NCCOCC 1626a_102516460346_100000757543 [1,1,0,0,0,0|1,0,1]=4 799 B13R0.165 CCCCOCC(=O)NCCOCC 240690a_100011200944_100000757543 [1,1,0,0,0,0|1,0,1]=4 800 B13R0.165 CCCCOCC(=O)NCCOCC 527a_100011200944_100000757543 [1,1,0,0,0,0|1,0,1]=4 801 B13R0.165 CCCCOCC(=O)NCCSCC 11a_100000106463_100000757543 [1,1,0,0,0,0|1,0,1]=4 802 B13R0.165 CCCCOCC(=O)NCCSCC 1626a_100000106463_100000757543 [1,1,0,0,0,0|1,0,1]=4 803 B13R0.165 CCCCOCC(=O)NCCSCC 240690a_100000106463_100000757543 [1,1,0,0,0,0|1,0,1]=4 804 B13R0.165 CCCCOCC(=O)NCCSCC 527a_100000106463_100000757543 [1,1,0,0,0,0|1,0,1]=4 805 B13R0.165 CCCCOCC(=O)OCCOCC 34a_100000210227_200000101388 [1,1,0,0,0,0|0,0,1]=3 806 B13R0.165 CCCCOCC(=O)OCCOCC 7a_100000210227_200000101388 [1,1,0,0,0,0|0,0,1]=3 807 B13R0.165 CCCCSCC(=O)OCCOCC 62a_100000210211_200000101388 [1,1,0,0,0,0|0,1,1]=4 808 B13R0.165 CCCCSCC(=O)OCCOCC 62a_200000101388_100000210210 [1,1,0,0,0,0|0,1,1]=4 809 B13R0.165 CCOCCOC(=O)COCCCBr 34a_100011217188_200000101388 [1,1,0,0,0,0|1,0,1]=4 810 B13R0.165 CCOCCOC(=O)COCCCCl 34a_100000230001_200000101388 [1,1,0,0,0,0|1,0,1]=4 811 B13R0.165 CCOCCOC(=O)COCCCF 34a_100000759539_200000101388 [1,1,0,0,0,0|1,0,1]=4 812 B13R0.165 CCOCCOC(=O)COCCCN 34a_100000182051_200000101388 [1,1,0,0,0,0|1,0,1]=4 813 B13R0.165 CCOCCOC(=O)COCCOC 34a_100000210237_200000101388 [1,1,0,0,0,0|1,0,1]=4 814 B13R0.165 CCOCCOC(=O)COCCSC 34a_100000230434_200000101388 [1,1,0,0,0,0|1,0,1]=4 815 B13R0.165 CCOCCOC(=O)COCCSC 7a_100000230434_200000101388 [1,1,0,0,0,0|1,0,1]=4 816 B13R0.188 C=C(C)CCOCC(=O)OCCCC 34a_100000764851_100000211628 [1,1,0,0,0,0|0,0,2]=4 817 B13R0.188 CCCCCC(=O)COCCC(C)Br 34a_100009893172_200012276598 [1,1,0,0,0,0|1,0,1]=4 818 B13R0.188 CCCCCC(=O)COCCC(C)C 34a_100000210254_200012276598 [1,1,0,0,0,0|1,0,1]=4 819 B13R0.188 CCCCCC(=O)COCCC(C)C 7a_100000210254_200012276598 [1,1,0,0,0,0|1,0,1]=4 820 B13R0.188 CCCCCC(=O)COCC[C@@H](C)N 34a_100000706166_200012276598 [1,1,0,0,0,0|1,0,1]=4 821 B13R0.188 CCCCNC(=O)COCCC(C)Br 34a_100009893172_100000182744 [1,1,0,0,0,0|1,0,1]=4 822 B13R0.188 CCCCNC(=O)COCCC(C)C 34a_100000210254_100000182744 [1,1,0,0,0,0|1,0,1]=4 823 B13R0.188 CCCCNC(=O)COCCC(C)C 7a_100000210254_100000182744 [1,1,0,0,0,0|1,0,1]=4 824 B13R0.188 CCCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000182744 [1,1,0,0,0,0|1,0,1]=4 825 B13R0.188 CCCCOC(=O)CNCCC(C)O 2230a_200000755665_100000211628 [1,1,0,0,0,0|1,0,1]=4 826 B13R0.188 CCCCOC(=O)COCCC(=O)C 34a_100000759926_100000211628 [1,1,0,0,0,0|0,0,2]=4 827 B13R0.188 CCCCOC(=O)COCCC(=O)C 7a_100000759926_100000211628 [1,1,0,0,0,0|0,0,2]=4 828 B13R0.188 CCCCOC(=O)COCCC(C)Br 34a_100009893172_100000211628 [1,1,0,0,0,0|0,0,1]=3 829 B13R0.188 CCCCOC(=O)COCCC(C)C 34a_100000210254_100000211628 [1,1,0,0,0,0|0,0,1]=3 830 B13R0.188 CCCCOC(=O)COCCC(C)C 7a_100000210254_100000211628 [1,1,0,0,0,0|0,0,1]=3 831 B13R0.188 CCCCOC(=O)COCCC(F)F 34a_100103093639_100000211628 [1,1,0,0,0,0|1,0,1]=4 832 B13R0.188 CCCCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000211628 [1,1,0,0,0,0|0,0,1]=3 833 B13R0.188 CCCCOC(=O)CSCCC(C)C 62a_100000210312_100000211628 [1,1,0,0,0,0|0,1,1]=4 834 B13R0.188 CCCCOC(=O)CSCCC(C)C 62a_100000211628_100000210312 [1,1,0,0,0,0|0,1,1]=4 835 B13R0.188 CCCCOC(=O)CSCCC(C)O 62a_100000211628_100012276601 [1,1,0,0,0,0|0,1,1]=4 836 B13R0.188 CCCCOC(=O)CSCCC(C)O 62a_100012276601_100000211628 [1,1,0,0,0,0|0,1,1]=4 837 B13R0.188 COCCOC(=O)COCCC(C)Br 34a_100009893172_200000040189 [1,1,0,0,0,0|1,0,1]=4 838 B13R0.188 COCCOC(=O)COCCC(C)C 34a_100000210254_200000040189 [1,1,0,0,0,0|1,0,1]=4 839 B13R0.188 COCCOC(=O)COCCC(C)C 7a_100000210254_200000040189 [1,1,0,0,0,0|1,0,1]=4 840 B13R0.188 COCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200000040189 [1,1,0,0,0,0|1,0,1]=4 841 B13R0.193 CCCC(C)OCC(=O)OCCOC 34a_100000764384_200000040189 [1,1,0,0,0,0|1,0,1]=4 842 B13R0.193 CCCC(C)OCC(=O)OCCOC 7a_100000764384_200000040189 [1,1,0,0,0,0|1,0,1]=4 843 B13R0.193 CCCCCC(=O)COC(C)CCC 34a_100000764384_200012276598 [1,1,0,0,0,0|1,0,1]=4 844 B13R0.193 CCCCCC(=O)COC(C)CCC 7a_100000764384_200012276598 [1,1,0,0,0,0|1,0,1]=4 845 B13R0.193 CCCCNC(=O)COC(C)CCC 34a_100000764384_100000182744 [1,1,0,0,0,0|1,0,1]=4 846 B13R0.193 CCCCNC(=O)COC(C)CCC 7a_100000764384_100000182744 [1,1,0,0,0,0|1,0,1]=4 847 B13R0.193 CCCCOC(=O)CNC(C)CCC 2230a_100000741246_100000211628 [1,1,0,0,0,0|1,0,1]=4 848 B13R0.193 CCCCOC(=O)COC(C)CCBr 34a_100012276601_100000211628 [1,1,0,0,0,0|1,0,1]=4 849 B13R0.193 CCCCOC(=O)COC(C)CCC 34a_100000764384_100000211628 [1,1,0,0,0,0|0,0,1]=3 850 B13R0.193 CCCCOC(=O)COC(C)CCC 7a_100000764384_100000211628 [1,1,0,0,0,0|0,0,1]=3 851 B13R0.193 CCCCOC(=O)CO[C@H](C)COC 34a_100011934205_100000211628 [1,1,0,0,0,0|1,0,1]=4 852 B13R0.193 CCCCOC(=O)CSC(C)CCC 62a_100000211628_100000766640 [1,1,0,0,0,0|0,1,1]=4 853 B13R0.193 CCCCOC(=O)CSC(C)CCC 62a_100000766640_100000211628 [1,1,0,0,0,0|0,1,1]=4 854 B13R0.194 CCCCCC(=O)COC[C@@H](C)CC 7a_100009816381_200012276598 [1,1,0,0,0,0|1,0,1]=4 855 B13R0.194 CCCCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000182744 [1,1,0,0,0,0|1,0,1]=4 856 B13R0.194 CCCCOC(=O)CNCC(C)CC 2230a_100020588543_100000211628 [1,1,0,0,0,0|1,0,1]=4 857 B13R0.194 CCCCOC(=O)CNCC(O)CC 2230a_100011218483_100000211628 [1,1,0,0,0,0|1,0,1]=4 858 B13R0.194 CCCCOC(=O)COCC(=O)CC 34a_100000725409_100000211628 [1,1,0,0,0,0|0,0,2]=4 859 B13R0.194 CCCCOC(=O)COCC(C)CN 34a_100000744482_100000211628 [1,1,0,0,0,0|1,0,1]=4 860 B13R0.194 CCCCOC(=O)COCC(C)OC 34a_100000690652_100000211628 [1,1,0,0,0,0|1,0,1]=4 861 B13R0.194 CCCCOC(=O)COCC(Cl)CCl 34a_100000033668_100000211628 [1,1,0,0,0,0|1,0,1]=4 862 B13R0.194 CCCCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000211628 [1,1,0,0,0,0|0,0,1]=3 863 B13R0.194 CCCCOC(=O)COC[C@H](F)CN 34a_100015665980_100000211628 [1,1,0,0,0,0|1,0,1]=4 864 B13R0.194 CCCCOC(=O)CSCC(C)CC 62a_100000211628_100000748023 [1,1,0,0,0,0|0,1,1]=4 865 B13R0.194 CCCCOC(=O)CSCC(C)CC 62a_100000748023_100000211628 [1,1,0,0,0,0|0,1,1]=4 866 B13R0.194 CCCCOC(=O)CSCC(O)CC 62a_100000211628_100011218378 [1,1,0,0,0,0|0,1,1]=4 867 B13R0.194 CCCCOC(=O)CSCC(O)CC 62a_100011218378_100000211628 [1,1,0,0,0,0|0,1,1]=4 868 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CC 62a_100000211628_100009816398 [1,1,0,0,0,0|0,1,1]=4 869 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000211628 [1,1,0,0,0,0|0,1,1]=4 870 B13R0.194 CC[C@H](C)COCC(=O)OCCOC 7a_100009816381_200000040189 [1,1,0,0,0,0|1,0,1]=4 871 B13R0.195 CCCCOC(=O)CC(=O)CCCC 1458a_100000210183_100000211628 [1,1,0,0,0,0|1,0,1]=4 872 B13R0.195 CCCCOC(=O)CN(C)CCCC 2230a_100000207549_100000211628 [1,1,0,0,0,0|1,0,1]=4 873 B13R0.195 CCCCOC(=O)CN(C)CCCC 269982a_100000207549_100000211628 [1,1,0,0,0,0|1,0,1]=4 874 B13R0.330 CCCCC=CC(=O)CC(C)CCC 1458a_100016266645_100011216630 [1,1,0,0,0,0|2,0,0]=4 875 B13R0.330 CCCCC=CC(=O)NC(C)CCC 11a_100000741246_100016266645 [1,1,0,0,0,0|2,0,0]=4 876 B13R0.330 CCCCC=CC(=O)NC(C)CCC 1626a_100000741246_100016266645 [1,1,0,0,0,0|2,0,0]=4 877 B13R0.330 CCCCC=CC(=O)NC(C)CCC 240690a_100000741246_100016266645 [1,1,0,0,0,0|2,0,0]=4 878 B13R0.330 CCCCOCC(=O)CC(C)CCC 1458a_100000748435_100011995733 [1,1,0,0,0,0|1,0,1]=4 879 B13R0.330 CCCCOCC(=O)CC(C)CCC 1458a_100000757543_100011216630 [1,1,0,0,0,0|1,0,1]=4 880 B13R0.330 CCCCOCC(=O)NC(C)CCC 11a_100000741246_100000757543 [1,1,0,0,0,0|1,0,1]=4 881 B13R0.330 CCCCOCC(=O)NC(C)CCC 1626a_100000741246_100000757543 [1,1,0,0,0,0|1,0,1]=4 882 B13R0.330 CCCCOCC(=O)NC(C)CCC 240690a_100000741246_100000757543 [1,1,0,0,0,0|1,0,1]=4 883 B13R0.330 CCCCOCC(=O)NC(C)CCC 527a_100000741246_100000757543 [1,1,0,0,0,0|1,0,1]=4 884 B13R0.338 C#CCCCOCC(=O)OCCCC 34a_100000215630_100000211628 [1,1,0,0,0,0|0,0,2]=4 885 B13R0.338 C#CCCCOCC(=O)OCCCC 7a_100000215630_100000211628 [1,1,0,0,0,0|0,0,2]=4 886 B13R0.338 C/C=C/CCOCC(=O)OCCCC 34a_100016278192_100000211628 [1,1,0,0,0,0|0,0,2]=4 887 B13R0.338 C=CCCCOCC(=O)OCCCC 34a_100000758997_100000211628 [1,1,0,0,0,0|0,0,2]=4 888 B13R0.338 C=CCCCOCC(=O)OCCCC 7a_100000758997_100000211628 [1,1,0,0,0,0|0,0,2]=4 889 B13R0.338 CC#CCCOCC(=O)OCCCC 34a_100000750427_100000211628 [1,1,0,0,0,0|0,0,2]=4 890 B13R0.338 CC/C=C\COCC(=O)OCCCC 34a_100016268518_100000211628 [1,1,0,0,0,0|0,0,2]=4 891 B13R0.338 CCC#CCOCC(=O)OCCCC 34a_100000032950_100000211628 [1,1,0,0,0,0|0,0,2]=4 892 B13R0.338 CCCC/C=C/CC(=O)CCCCC 1458a_200016282684_100000210326 [1,1,0,0,0,0|2,0,0]=4 893 B13R0.338 CCCC/C=C/CC(=O)NCCCC 11a_100000102301_200016282684 [1,1,0,0,0,0|2,0,0]=4 894 B13R0.338 CCCC/C=C/CC(=O)NCCCC 1626a_100000102301_200016282684 [1,1,0,0,0,0|2,0,0]=4 895 B13R0.338 CCCC/C=C/CC(=O)NCCCC 240690a_100000102301_200016282684 [1,1,0,0,0,0|2,0,0]=4 896 B13R0.338 CCCC/C=C/CC(=O)NCCCC 527a_100000102301_200016282684 [1,1,0,0,0,0|2,0,0]=4 897 B13R0.338 CCCCCC(=O)CCOCCCC 1458a_100000212188_100000743108 [1,1,0,0,0,0|1,0,1]=4 898 B13R0.338 CCCCCC(=O)COCCCCBr 34a_100011216708_200012276598 [1,1,0,0,0,0|1,0,1]=4 899 B13R0.338 CCCCCC(=O)COCCCCCl 34a_100000210776_200012276598 [1,1,0,0,0,0|1,0,1]=4 900 B13R0.338 CCCCCC(=O)COCCCCCl 7a_100000210776_200012276598 [1,1,0,0,0,0|1,0,1]=4 901 B13R0.338 CCCCCC(=O)COCCCCF 34a_100011995726_200012276598 [1,1,0,0,0,0|1,0,1]=4 902 B13R0.338 CCCCCC(=O)COCCCCF 7a_100011995726_200012276598 [1,1,0,0,0,0|1,0,1]=4 903 B13R0.338 CCCCCC(=O)COCCCCI 34a_200012148704_200012276598 [1,1,0,0,0,0|1,0,1]=4 904 B13R0.338 CCCCCC(=O)COCCCCN 34a_100000750430_200012276598 [1,1,0,0,0,0|1,0,1]=4 905 B13R0.338 CCCCCC(=O)COCCCNC 34a_100000213112_200012276598 [1,1,0,0,0,0|1,0,1]=4 906 B13R0.338 CCCCCC(=O)COCCCOC 34a_100000740835_200012276598 [1,1,0,0,0,0|1,0,1]=4 907 B13R0.338 CCCCCC(=O)COCCCSC 34a_100000690336_200012276598 [1,1,0,0,0,0|1,0,1]=4 908 B13R0.338 CCCCCC(=O)COCCCSC 7a_100000690336_200012276598 [1,1,0,0,0,0|1,0,1]=4 909 B13R0.338 CCCCCC(=O)COCCOCC 34a_100000210136_200012276598 [1,1,0,0,0,0|1,0,1]=4 910 B13R0.338 CCCCCC(=O)COCCOCC 7a_100000210136_200012276598 [1,1,0,0,0,0|1,0,1]=4 911 B13R0.338 CCCCCC(=O)COCCSCC 34a_100000212035_200012276598 [1,1,0,0,0,0|1,0,1]=4 912 B13R0.338 CCCCCC(=O)COCCSCC 7a_100000212035_200012276598 [1,1,0,0,0,0|1,0,1]=4 913 B13R0.338 CCCCCC=CC(=O)CCCCC 1458a_100016263427_100000210326 [1,1,0,0,0,0|2,0,0]=4 914 B13R0.338 CCCCCC=CC(=O)NCCCC 11a_100000102301_100016263427 [1,1,0,0,0,0|2,0,0]=4 915 B13R0.338 CCCCCC=CC(=O)NCCCC 1626a_100000102301_100016263427 [1,1,0,0,0,0|2,0,0]=4 916 B13R0.338 CCCCCC=CC(=O)NCCCC 240690a_100000102301_100016263427 [1,1,0,0,0,0|2,0,0]=4 917 B13R0.338 CCCCCNCC(=O)OCCCC 2230a_100000209983_100000211628 [1,1,0,0,0,0|1,0,1]=4 918 B13R0.338 CCCCCOCC(=O)CCCCC 34a_100000210253_200012276598 [1,1,0,0,0,0|1,0,1]=4 919 B13R0.338 CCCCCOCC(=O)CCCCC 7a_100000210253_200012276598 [1,1,0,0,0,0|1,0,1]=4 920 B13R0.338 CCCCCOCC(=O)NCCCC 34a_100000210253_100000182744 [1,1,0,0,0,0|1,0,1]=4 921 B13R0.338 CCCCCOCC(=O)NCCCC 7a_100000210253_100000182744 [1,1,0,0,0,0|1,0,1]=4 922 B13R0.338 CCCCCOCC(=O)OCCCC 34a_100000210253_100000211628 [1,1,0,0,0,0|0,0,1]=3 923 B13R0.338 CCCCCOCC(=O)OCCCC 7a_100000210253_100000211628 [1,1,0,0,0,0|0,0,1]=3 924 B13R0.338 CCCCCOCC(=O)OCCOC 34a_100000210253_200000040189 [1,1,0,0,0,0|1,0,1]=4 925 B13R0.338 CCCCCOCC(=O)OCCOC 7a_100000210253_200000040189 [1,1,0,0,0,0|1,0,1]=4 926 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000210326_100000211628 [1,1,0,0,0,0|0,1,1]=4 927 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000211628_100000210326 [1,1,0,0,0,0|0,1,1]=4 928 B13R0.338 CCCCNC(=O)COCCCCBr 34a_100011216708_100000182744 [1,1,0,0,0,0|1,0,1]=4 929 B13R0.338 CCCCNC(=O)COCCCCCl 34a_100000210776_100000182744 [1,1,0,0,0,0|1,0,1]=4 930 B13R0.338 CCCCNC(=O)COCCCCCl 7a_100000210776_100000182744 [1,1,0,0,0,0|1,0,1]=4 931 B13R0.338 CCCCNC(=O)COCCCCF 34a_100011995726_100000182744 [1,1,0,0,0,0|1,0,1]=4 932 B13R0.338 CCCCNC(=O)COCCCCF 7a_100011995726_100000182744 [1,1,0,0,0,0|1,0,1]=4 933 B13R0.338 CCCCNC(=O)COCCCCI 34a_200012148704_100000182744 [1,1,0,0,0,0|1,0,1]=4 934 B13R0.338 CCCCNC(=O)COCCCCN 34a_100000750430_100000182744 [1,1,0,0,0,0|1,0,1]=4 935 B13R0.338 CCCCNC(=O)COCCCNC 34a_100000213112_100000182744 [1,1,0,0,0,0|1,0,1]=4 936 B13R0.338 CCCCNC(=O)COCCCOC 34a_100000740835_100000182744 [1,1,0,0,0,0|1,0,1]=4 937 B13R0.338 CCCCNC(=O)COCCCSC 34a_100000690336_100000182744 [1,1,0,0,0,0|1,0,1]=4 938 B13R0.338 CCCCNC(=O)COCCCSC 7a_100000690336_100000182744 [1,1,0,0,0,0|1,0,1]=4 939 B13R0.338 CCCCNC(=O)COCCOCC 34a_100000210136_100000182744 [1,1,0,0,0,0|1,0,1]=4 940 B13R0.338 CCCCNC(=O)COCCOCC 7a_100000210136_100000182744 [1,1,0,0,0,0|1,0,1]=4 941 B13R0.338 CCCCNC(=O)COCCSCC 34a_100000212035_100000182744 [1,1,0,0,0,0|1,0,1]=4 942 B13R0.338 CCCCNC(=O)COCCSCC 7a_100000212035_100000182744 [1,1,0,0,0,0|1,0,1]=4 943 B13R0.338 CCCCOC(=O)CNCCCCO 2230a_100000750430_100000211628 [1,1,0,0,0,0|1,0,1]=4 944 B13R0.338 CCCCOC(=O)CNCCCCO 34a_100000750430_100000211628 [1,1,0,0,0,0|1,0,1]=4 945 B13R0.338 CCCCOC(=O)CNCCCOC 34a_100150723488_100000211628 [1,1,0,0,0,0|1,0,1]=4 946 B13R0.338 CCCCOC(=O)CNCCCSC 2230a_100000749238_100000211628 [1,1,0,0,0,0|1,0,1]=4 947 B13R0.338 CCCCOC(=O)CNCCOCC 2230a_102516460346_100000211628 [1,1,0,0,0,0|1,0,1]=4 948 B13R0.338 CCCCOC(=O)CNCCOCC 34a_102516460346_100000211628 [1,1,0,0,0,0|1,0,1]=4 949 B13R0.338 CCCCOC(=O)CNCCSCC 2230a_100000106463_100000211628 [1,1,0,0,0,0|1,0,1]=4 950 B13R0.338 CCCCOC(=O)COCCCCBr 34a_100011216708_100000211628 [1,1,0,0,0,0|0,0,1]=3 951 B13R0.338 CCCCOC(=O)COCCCCCl 34a_100000210776_100000211628 [1,1,0,0,0,0|0,0,1]=3 952 B13R0.338 CCCCOC(=O)COCCCCCl 7a_100000210776_100000211628 [1,1,0,0,0,0|0,0,1]=3 953 B13R0.338 CCCCOC(=O)COCCCCF 34a_100011995726_100000211628 [1,1,0,0,0,0|0,0,1]=3 954 B13R0.338 CCCCOC(=O)COCCCCF 7a_100011995726_100000211628 [1,1,0,0,0,0|0,0,1]=3 955 B13R0.338 CCCCOC(=O)COCCCCI 34a_200012148704_100000211628 [1,1,0,0,0,0|0,0,1]=3 956 B13R0.338 CCCCOC(=O)COCCCCN 34a_100000750430_100000211628 [1,1,0,0,0,0|0,0,1]=3 957 B13R0.338 CCCCOC(=O)COCCCNC 34a_100000213112_100000211628 [1,1,0,0,0,0|0,0,1]=3 958 B13R0.338 CCCCOC(=O)COCCCOC 34a_100000740835_100000211628 [1,1,0,0,0,0|0,0,1]=3 959 B13R0.338 CCCCOC(=O)COCCCSC 34a_100000690336_100000211628 [1,1,0,0,0,0|0,0,1]=3 960 B13R0.338 CCCCOC(=O)COCCCSC 7a_100000690336_100000211628 [1,1,0,0,0,0|0,0,1]=3 961 B13R0.338 CCCCOC(=O)COCCOCC 34a_100000210136_100000211628 [1,1,0,0,0,0|0,0,1]=3 962 B13R0.338 CCCCOC(=O)COCCOCC 7a_100000210136_100000211628 [1,1,0,0,0,0|0,0,1]=3 963 B13R0.338 CCCCOC(=O)COCCSCC 34a_100000212035_100000211628 [1,1,0,0,0,0|0,0,1]=3 964 B13R0.338 CCCCOC(=O)COCCSCC 7a_100000212035_100000211628 [1,1,0,0,0,0|0,0,1]=3 965 B13R0.338 CCCCOC(=O)CSCCCCF 62a_100000211628_100000729493 [1,1,0,0,0,0|0,1,1]=4 966 B13R0.338 CCCCOC(=O)CSCCCCF 62a_100000729493_100000211628 [1,1,0,0,0,0|0,1,1]=4 967 B13R0.338 CCCCOC(=O)CSCCCCO 62a_100000210776_100000211628 [1,1,0,0,0,0|0,1,1]=4 968 B13R0.338 CCCCOC(=O)CSCCCCO 62a_100000211628_100000210776 [1,1,0,0,0,0|0,1,1]=4 969 B13R0.338 CCCCOC(=O)CSCCCOC 62a_100000211628_100000709357 [1,1,0,0,0,0|0,1,1]=4 970 B13R0.338 CCCCOC(=O)CSCCCOC 62a_100000709357_100000211628 [1,1,0,0,0,0|0,1,1]=4 971 B13R0.338 CCCCOC(=O)CSCCOCC 62a_100000210147_100000211628 [1,1,0,0,0,0|0,1,1]=4 972 B13R0.338 CCCCOC(=O)CSCCOCC 62a_100000211628_100011215890 [1,1,0,0,0,0|0,1,1]=4 973 B13R0.338 CCCCOC(=O)CSCCSCC 62a_100000211628_100000757381 [1,1,0,0,0,0|0,1,1]=4 974 B13R0.338 CCCCOC(=O)CSCCSCC 62a_100000757381_100000211628 [1,1,0,0,0,0|0,1,1]=4 975 B13R0.338 CCOCCOCC(=O)OCCOC 34a_100000210136_200000040189 [1,1,0,0,0,0|1,0,1]=4 976 B13R0.338 CCOCCOCC(=O)OCCOC 7a_100000210136_200000040189 [1,1,0,0,0,0|1,0,1]=4 977 B13R0.338 CCSCCOCC(=O)OCCOC 34a_100000212035_200000040189 [1,1,0,0,0,0|1,0,1]=4 978 B13R0.338 CCSCCOCC(=O)OCCOC 7a_100000212035_200000040189 [1,1,0,0,0,0|1,0,1]=4 979 B13R0.338 CNCCCOCC(=O)OCCOC 34a_100000213112_200000040189 [1,1,0,0,0,0|1,0,1]=4 980 B13R0.338 COCCCOCC(=O)OCCOC 34a_100000740835_200000040189 [1,1,0,0,0,0|1,0,1]=4 981 B13R0.338 COCCOC(=O)COCCCCBr 34a_100011216708_200000040189 [1,1,0,0,0,0|1,0,1]=4 982 B13R0.338 COCCOC(=O)COCCCCCl 34a_100000210776_200000040189 [1,1,0,0,0,0|1,0,1]=4 983 B13R0.338 COCCOC(=O)COCCCCCl 7a_100000210776_200000040189 [1,1,0,0,0,0|1,0,1]=4 984 B13R0.338 COCCOC(=O)COCCCCF 34a_100011995726_200000040189 [1,1,0,0,0,0|1,0,1]=4 985 B13R0.338 COCCOC(=O)COCCCCF 7a_100011995726_200000040189 [1,1,0,0,0,0|1,0,1]=4 986 B13R0.338 COCCOC(=O)COCCCCI 34a_200012148704_200000040189 [1,1,0,0,0,0|1,0,1]=4 987 B13R0.338 COCCOC(=O)COCCCCN 34a_100000750430_200000040189 [1,1,0,0,0,0|1,0,1]=4 988 B13R0.338 COCCOC(=O)COCCCSC 34a_100000690336_200000040189 [1,1,0,0,0,0|1,0,1]=4 989 B13R0.338 COCCOC(=O)COCCCSC 7a_100000690336_200000040189 [1,1,0,0,0,0|1,0,1]=4 990 B13R0.1170 CCCCC=CC(=O)NCC(C)CC 11a_100020588543_100016266645 [1,1,0,0,0,0|2,0,0]=4 991 B13R0.1170 CCCCC=CC(=O)NCC(C)CC 1626a_100020588543_100016266645 [1,1,0,0,0,0|2,0,0]=4 992 B13R0.1170 CCCCC=CC(=O)NCC(C)CC 240690a_100020588543_100016266645 [1,1,0,0,0,0|2,0,0]=4 993 B13R0.1170 CCCCC=CC(=O)NCC(O)CC 11a_100011218483_100016266645 [1,1,0,0,0,0|2,0,0]=4 994 B13R0.1170 CCCCC=CC(=O)NCC(O)CC 240690a_100011218483_100016266645 [1,1,0,0,0,0|2,0,0]=4 995 B13R0.1170 CCCCOCC(=O)CCC(C)CC 1458a_100000701222_100011995733 [1,1,0,0,0,0|1,0,1]=4 996 B13R0.1170 CCCCOCC(=O)NCC(C)CC 11a_100020588543_100000757543 [1,1,0,0,0,0|1,0,1]=4 997 B13R0.1170 CCCCOCC(=O)NCC(C)CC 1626a_100020588543_100000757543 [1,1,0,0,0,0|1,0,1]=4 998 B13R0.1170 CCCCOCC(=O)NCC(C)CC 240690a_100020588543_100000757543 [1,1,0,0,0,0|1,0,1]=4 999 B13R0.1170 CCCCOCC(=O)NCC(C)CC 527a_100020588543_100000757543 [1,1,0,0,0,0|1,0,1]=4 1000 B13R0.1170 CCCCOCC(=O)NCC(O)CC 11a_100011218483_100000757543 [1,1,0,0,0,0|1,0,1]=4 1001 B13R0.1170 CCCCOCC(=O)NCC(O)CC 240690a_100011218483_100000757543 [1,1,0,0,0,0|1,0,1]=4 1002 B13R0.1170 CCCCOCC(=O)NCC(O)CC 527a_100011218483_100000757543 [1,1,0,0,0,0|1,0,1]=4 1003 B13R0.1171 CCCCC=CC(=O)C(C)CCCC 1458a_100016266645_200011215066 [1,1,0,0,0,0|2,0,0]=4 1004 B13R0.1171 CCCCC=CC(=O)N(C)CCCC 11a_100000207549_100016266645 [1,1,0,0,0,0|2,0,0]=4 1005 B13R0.1171 CCCCC=CC(=O)N(C)CCCC 1626a_100000207549_100016266645 [1,1,0,0,0,0|2,0,0]=4 1006 B13R0.1171 CCCCC=CC(=O)N(C)CCCC 240690a_100000207549_100016266645 [1,1,0,0,0,0|2,0,0]=4 1007 B13R0.1171 CCCCOCC(=O)C(C)CCCC 1458a_100000725509_100011995733 [1,1,0,0,0,0|1,0,1]=4 1008 B13R0.1171 CCCCOCC(=O)C(C)CCCC 1458a_100000757543_200011215066 [1,1,0,0,0,0|1,0,1]=4 1009 B13R0.1171 CCCCOCC(=O)C(O)CCCC 1458a_100000720857_100011995733 [1,1,0,0,0,0|1,0,1]=4 1010 B13R0.1171 CCCCOCC(=O)N(C)CCCC 11a_100000207549_100000757543 [1,1,0,0,0,0|1,0,1]=4 1011 B13R0.1171 CCCCOCC(=O)N(C)CCCC 1626a_100000207549_100000757543 [1,1,0,0,0,0|1,0,1]=4 1012 B13R0.1171 CCCCOCC(=O)N(C)CCCC 240690a_100000207549_100000757543 [1,1,0,0,0,0|1,0,1]=4 1013 B13R0.1171 CCCCOCC(=O)N(C)CCCC 34a_100000210227_100000230175 [1,1,0,0,0,0|1,0,1]=4 1014 B13R0.1171 CCCCOCC(=O)N(C)CCCC 527a_100000207549_100000757543 [1,1,0,0,0,0|1,0,1]=4 1015 B13R0.1171 CCCCOCC(=O)N(C)CCCC 7a_100000210227_100000230175 [1,1,0,0,0,0|1,0,1]=4 1016 B13R0.39 CCCNC(=O)C(=O)CC(C)CCC 1458a_200011297150_100011216630 [1,1,0,0,0,0|2,0,0]=4 1017 B13R0.39 CCCNC(=O)C(=O)NC(C)CCC 1626a_100000741246_200011297150 [1,1,0,0,0,0|2,0,0]=4 1018 B13R0.39 CCCNC(=O)C(=O)NC(C)CCC 240690a_100000741246_200011297150 [1,1,0,0,0,0|2,0,0]=4 1019 B13R0.39 CCCNC(=O)C(=O)NC(C)CCC 527a_100000741246_200011297150 [1,1,0,0,0,0|2,0,0]=4 1020 B13R0.39 CCCOC(=O)C(C)OC(C)CCC 34a_100000037348_100000766640 [1,1,0,0,0,0|1,0,1]=4 1021 B13R0.39 CCCOC(=O)C(C)OC(C)CCC 34a_100000764384_100000760410 [1,1,0,0,0,0|1,0,1]=4 1022 B13R0.39 CCCOC(=O)C(C)OC(C)CCC 7a_100000037348_100000766640 [1,1,0,0,0,0|1,0,1]=4 1023 B13R0.39 CCCOC(=O)C(C)OC(C)CCC 7a_100000764384_100000760410 [1,1,0,0,0,0|1,0,1]=4 1024 B13R0.40 CCCNC(=O)C(=O)NCC(C)CC 1626a_100020588543_200011297150 [1,1,0,0,0,0|2,0,0]=4 1025 B13R0.40 CCCNC(=O)C(=O)NCC(C)CC 240690a_100020588543_200011297150 [1,1,0,0,0,0|2,0,0]=4 1026 B13R0.40 CCCNC(=O)C(=O)NCC(C)CC 527a_100020588543_200011297150 [1,1,0,0,0,0|2,0,0]=4 1027 B13R0.40 CCCNC(=O)C(=O)NCC(O)CC 240690a_100011218483_200011297150 [1,1,0,0,0,0|2,0,0]=4 1028 B13R0.40 CCCNC(=O)C(=O)NCC(O)CC 527a_100011218483_200011297150 [1,1,0,0,0,0|2,0,0]=4 1029 B13R0.40 CCCOC(=O)C(C)OCC(C)CC 34a_100000037348_100000748023 [1,1,0,0,0,0|1,0,1]=4 1030 B13R0.40 CCCOC(=O)C(C)OCC(C)CC 7a_100000037348_100000748023 [1,1,0,0,0,0|1,0,1]=4 1031 B13R0.40 CCCOC(=O)C(C)OCC(O)CC 34a_100000037348_100011218378 [1,1,0,0,0,0|1,0,1]=4 1032 B13R0.40 CCCOC(=O)C(C)OCC(O)CC 7a_100000037348_100011218378 [1,1,0,0,0,0|1,0,1]=4 1033 B13R0.40 CCCOC(=O)C(C)OC[C@@H](C)CC 34a_100000037348_100009816398 [1,1,0,0,0,0|1,0,1]=4 1034 B13R0.40 CCCOC(=O)C(C)OC[C@@H](C)CC 7a_100000037348_100009816398 [1,1,0,0,0,0|1,0,1]=4 1035 B13R0.40 CCCOC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000760410 [1,1,0,0,0,0|1,0,1]=4 1036 B13R0.41 CCCCC(C)C(=O)C(=O)NCCC 1458a_200011297150_200011215066 [1,1,0,0,0,0|2,0,0]=4 1037 B13R0.41 CCCCN(C)C(=O)C(=O)NCCC 1626a_100000207549_200011297150 [1,1,0,0,0,0|2,0,0]=4 1038 B13R0.41 CCCCN(C)C(=O)C(=O)NCCC 240690a_100000207549_200011297150 [1,1,0,0,0,0|2,0,0]=4 1039 B13R0.41 CCCCN(C)C(=O)C(=O)NCCC 527a_100000207549_200011297150 [1,1,0,0,0,0|2,0,0]=4 1040 B13R0.139 CCCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210326 [1,1,0,0,0,0|2,0,0]=4 1041 B13R0.139 CCCCNC(=O)C(=O)NCC(C)C 1626a_100000102301_200011297155 [1,1,0,0,0,0|2,0,0]=4 1042 B13R0.139 CCCCNC(=O)C(=O)NCC(C)C 240690a_100000102301_200011297155 [1,1,0,0,0,0|2,0,0]=4 1043 B13R0.139 CCCCNC(=O)C(=O)NCC(C)C 527a_100000102301_200011297155 [1,1,0,0,0,0|2,0,0]=4 1044 B13R0.139 CCCCOC(=O)C(C)OCC(C)Br 34a_100012180447_100000759602 [1,1,0,0,0,0|1,0,1]=4 1045 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 34a_100000038973_100000210624 [1,1,0,0,0,0|1,0,1]=4 1046 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 34a_100000210257_100000759602 [1,1,0,0,0,0|1,0,1]=4 1047 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 7a_100000038973_100000210760 [1,1,0,0,0,0|1,0,1]=4 1048 B13R0.139 CCCCOC(=O)C(C)OCC(C)F 34a_100015925927_100000759602 [1,1,0,0,0,0|1,0,1]=4 1049 B13R0.139 CCCCOC(=O)C(C)OCC(C)O 34a_100000038973_100011218427 [1,1,0,0,0,0|1,0,1]=4 1050 B13R0.139 CCCCOC(=O)C(C)OCC(C)O 7a_100000038973_100011218427 [1,1,0,0,0,0|1,0,1]=4 1051 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000759602 [1,1,0,0,0,0|1,0,1]=4 1052 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000759602 [1,1,0,0,0,0|1,0,1]=4 1053 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)O 34a_100000038973_100009817552 [1,1,0,0,0,0|1,0,1]=4 1054 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)O 7a_100000038973_100009817552 [1,1,0,0,0,0|1,0,1]=4 1055 B13R0.151 CCCCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210326 [1,1,0,0,0,0|2,0,0]=4 1056 B13R0.151 CCCCNC(=O)C(=O)NC(C)CC 1626a_100000102301_200011297154 [1,1,0,0,0,0|2,0,0]=4 1057 B13R0.151 CCCCNC(=O)C(=O)NC(C)CC 240690a_100000102301_200011297154 [1,1,0,0,0,0|2,0,0]=4 1058 B13R0.151 CCCCNC(=O)C(=O)NC(C)CC 527a_100000102301_200011297154 [1,1,0,0,0,0|2,0,0]=4 1059 B13R0.151 CCCCOC(=O)C(C)OC(C)CC 34a_100000038973_100011215416 [1,1,0,0,0,0|1,0,1]=4 1060 B13R0.151 CCCCOC(=O)C(C)OC(C)CC 7a_100000038973_100000758301 [1,1,0,0,0,0|1,0,1]=4 1061 B13R0.151 CCCCOC(=O)C(C)OC(C)CC 7a_100000210228_100000759602 [1,1,0,0,0,0|1,0,1]=4 1062 B13R0.345 CCCNC(=O)C(=O)CCCC(C)C 1458a_200011297150_100011214892 [1,1,0,0,0,0|2,0,0]=4 1063 B13R0.345 CCCNC(=O)C(=O)CCCC(C)O 1458a_200011297150_200000718107 [1,1,0,0,0,0|2,0,0]=4 1064 B13R0.345 CCCNC(=O)C(=O)NCCC(C)C 1626a_100000210545_200011297150 [1,1,0,0,0,0|2,0,0]=4 1065 B13R0.345 CCCNC(=O)C(=O)NCCC(C)C 240690a_100000210545_200011297150 [1,1,0,0,0,0|2,0,0]=4 1066 B13R0.345 CCCNC(=O)C(=O)NCCC(C)C 527a_100000210545_200011297150 [1,1,0,0,0,0|2,0,0]=4 1067 B13R0.345 CCCNC(=O)C(=O)NCCC(C)O 240690a_200000755665_200011297150 [1,1,0,0,0,0|2,0,0]=4 1068 B13R0.345 CCCNC(=O)C(=O)NCCC(C)O 527a_200000755665_200011297150 [1,1,0,0,0,0|2,0,0]=4 1069 B13R0.345 CCCOC(=O)C(C)OCCC(C)Br 34a_100009893172_100000760410 [1,1,0,0,0,0|1,0,1]=4 1070 B13R0.345 CCCOC(=O)C(C)OCCC(C)C 34a_100000037348_100000210312 [1,1,0,0,0,0|1,0,1]=4 1071 B13R0.345 CCCOC(=O)C(C)OCCC(C)C 34a_100000210254_100000760410 [1,1,0,0,0,0|1,0,1]=4 1072 B13R0.345 CCCOC(=O)C(C)OCCC(C)C 7a_100000037348_100000210626 [1,1,0,0,0,0|1,0,1]=4 1073 B13R0.345 CCCOC(=O)C(C)OCCC(C)C 7a_100000210254_100000760410 [1,1,0,0,0,0|1,0,1]=4 1074 B13R0.345 CCCOC(=O)C(C)OCCC(C)O 34a_100000037348_100012276601 [1,1,0,0,0,0|1,0,1]=4 1075 B13R0.345 CCCOC(=O)C(C)OCCC(C)O 7a_100000037348_100012276601 [1,1,0,0,0,0|1,0,1]=4 1076 B13R0.345 CCCOC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000760410 [1,1,0,0,0,0|1,0,1]=4 1077 B13R0.345 CCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000210303 [1,1,0,0,0,0|1,0,1]=4 1078 B13R0.345 CCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000210303 [1,1,0,0,0,0|1,0,1]=4 1079 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCC 34a_100020628826_100000210303 [1,1,0,0,0,0|1,0,1]=4 1080 B13R0.1281 CCCCOC(=O)[C@H](CC)OCCC 7a_100020628826_100000210303 [1,1,0,0,0,0|1,0,1]=4 1081 B15R0.196 C#CCCCCC(=O)CC(=O)OCCCC 1458a_100000696528_100000211628 [0,1,0,0,0,1|1,0,1]=4 1082 B15R0.196 C=CCCCCC(=O)CC(=O)OCCCC 1458a_100011215552_100000211628 [0,1,0,0,0,1|1,0,1]=4 1083 B15R0.196 CCC/C=C/CC(=O)CC(=O)OCCCC 1458a_200016266809_100000211628 [0,1,0,0,0,1|1,0,1]=4 1084 B15R0.196 CCCC#CC(=O)CC(=O)OCCOCC 1458a_200011218047_200000101388 [0,1,0,0,0,1|1,0,1]=4 1085 B15R0.196 CCCC=CC(=O)CC(=O)OCCOCC 1458a_100000212230_200000101388 [0,1,0,0,0,1|1,0,1]=4 1086 B15R0.196 CCCCC=CC(=O)CC(=O)CCCCC 1458a_100016266645_200012276598 [0,1,0,0,0,1|2,0,0]=4 1087 B15R0.196 CCCCC=CC(=O)CC(=O)NCCCC 1458a_100016266645_100000182744 [0,1,0,0,0,1|2,0,0]=4 1088 B15R0.196 CCCCC=CC(=O)CC(=O)OCCCC 1458a_100016266645_100000211628 [0,1,0,0,0,1|1,0,0]=3 1089 B15R0.196 CCCCC=CC(=O)CC(=O)OCCOC 1458a_100016266645_200000040189 [0,1,0,0,0,1|2,0,0]=4 1090 B15R0.196 CCCCCC(=O)CC(=O)CCCCCO 1458a_100102619762_200012276598 [0,1,0,0,0,1|2,0,0]=4 1091 B15R0.196 CCCCCC(=O)CC(=O)COCCCC 1458a_100000757543_200012276598 [0,1,0,0,0,1|1,0,0]=3 1092 B15R0.196 CCCCCC(=O)CC(=O)COCCOC 1458a_100000211095_200012276598 [0,1,0,0,0,1|2,0,0]=4 1093 B15R0.196 CCCCCC(=O)CC(=O)CSCCCC 1458a_100000191162_200012276598 [0,1,0,0,0,1|1,1,0]=4 1094 B15R0.196 CCCCCC(=O)CC(=O)NCCCOC 1458a_100000212188_100000183178 [0,1,0,0,0,1|2,0,0]=4 1095 B15R0.196 CCCCCC(=O)CC(=O)OCCOCC 1458a_100000212188_200000101388 [0,1,0,0,0,1|1,0,0]=3 1096 B15R0.196 CCCCCCC(=O)CC(=O)CCCCC 1458a_100102632555_200012276598 [0,1,0,0,0,1|2,0,0]=4 1097 B15R0.196 CCCCCCC(=O)CC(=O)NCCCC 1458a_100102632555_100000182744 [0,1,0,0,0,1|2,0,0]=4 1098 B15R0.196 CCCCCCC(=O)CC(=O)OCCCC 1458a_100102632555_100000211628 [0,1,0,0,0,1|1,0,0]=3 1099 B15R0.196 CCCCCCC(=O)CC(=O)OCCOC 1458a_100102632555_200000040189 [0,1,0,0,0,1|2,0,0]=4 1100 B15R0.196 CCCCCNC(=O)CC(=O)CCCCC 1458a_100000212188_100000230301 [0,1,0,0,0,1|2,0,0]=4 1101 B15R0.196 CCCCNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000182744 [0,1,0,0,0,1|2,0,0]=4 1102 B15R0.196 CCCCNC(=O)CC(=O)COCCCC 1458a_100000757543_100000182744 [0,1,0,0,0,1|1,0,0]=3 1103 B15R0.196 CCCCNC(=O)CC(=O)COCCOC 1458a_100000211095_100000182744 [0,1,0,0,0,1|2,0,0]=4 1104 B15R0.196 CCCCNC(=O)CC(=O)CSCCCC 1458a_100000191162_100000182744 [0,1,0,0,0,1|1,1,0]=4 1105 B15R0.196 CCCCNC(=O)NC(=O)COCCCC 7a_100000210227_100000209831 [0,1,0,0,0,1|1,0,0]=3 1106 B15R0.196 CCCCNC(=O)NC(=O)COCCSC 7a_100000230434_100000209831 [0,1,0,0,0,1|2,0,0]=4 1107 B15R0.196 CCCCNC(=O)NC(=O)CSCCCC 62a_100000210211_100000209831 [0,1,0,0,0,1|1,1,0]=4 1108 B15R0.196 CCCCNCC(=O)NC(=O)NCCCC 2230a_100000102301_100000209831 [0,1,0,0,0,1|2,0,0]=4 1109 B15R0.196 CCCCNCC(=O)NC(=O)NCCCC 7a_106832991798_100000209831 [0,1,0,0,0,1|2,0,0]=4 1110 B15R0.196 CCCCNN=C(C)CC(=O)OCCCC 4a_100025702795_200000022843 [0,1,0,0,0,1|2,0,0]=4 1111 B15R0.196 CCCCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000211628 [0,1,0,0,0,1|1,0,0]=3 1112 B15R0.196 CCCCOC(=O)CC(=O)CCOCCO 1458a_100011229844_100000211628 [0,1,0,0,0,1|2,0,0]=4 1113 B15R0.196 CCCCOC(=O)CC(=O)COCCOC 1458a_100000211095_100000211628 [0,1,0,0,0,1|1,0,0]=3 1114 B15R0.196 CCCCOC(=O)CC(=O)CSCCCC 1458a_100000191162_100000211628 [0,1,0,0,0,1|0,1,0]=3 1115 B15R0.196 CCCCOCC(=O)CC(=O)NCCOC 1458a_100000757543_100000183275 [0,1,0,0,0,1|2,0,0]=4 1116 B15R0.196 CCCCOCC(=O)CC(=O)OCCCC 1458a_100000757543_100000211628 [0,1,0,0,0,1|0,0,0]=2 1117 B15R0.196 CCCCOCC(=O)CC(=O)OCCOC 1458a_100000757543_200000040189 [0,1,0,0,0,1|1,0,0]=3 1118 B15R0.196 CCCCOCC(=O)NC(=O)NCCOC 34a_100000210227_100000184195 [0,1,0,0,0,1|2,0,0]=4 1119 B15R0.196 CCCCOCC(=O)NC(=O)NCCOC 7a_100000210227_100000184195 [0,1,0,0,0,1|2,0,0]=4 1120 B15R0.196 CCCCSCC(=O)CC(=O)OCCOC 1458a_100000191162_200000040189 [0,1,0,0,0,1|1,1,0]=4 1121 B15R0.196 CCCOCC(=O)CC(=O)OCCOCC 1458a_100000745993_200000101388 [0,1,0,0,0,1|2,0,0]=4 1122 B15R0.196 CCCSCC(=O)CC(=O)OCCOCC 1458a_100000217233_200000101388 [0,1,0,0,0,1|2,0,0]=4 1123 B15R0.196 CCOCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200000101388 [0,1,0,0,0,1|2,0,0]=4 1124 B15R0.196 CCOCCOC(=O)CC(=O)CCCOC 1458a_100000741012_200000101388 [0,1,0,0,0,1|2,0,0]=4 1125 B15R0.196 CCOCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200000101388 [0,1,0,0,0,1|2,0,0]=4 1126 B15R0.196 CCOCCOC(=O)CC(=O)CCOCC 1458a_100000749530_200000101388 [0,1,0,0,0,1|2,0,0]=4 1127 B15R0.196 CCOCCOC(=O)CC(=O)CCSCC 1458a_100000230768_200000101388 [0,1,0,0,0,1|2,0,0]=4 1128 B15R0.196 COCCOC(=O)CC(=O)CCCCCO 1458a_100102619762_200000040189 [0,1,0,0,0,1|2,0,0]=4 1129 B15R0.196 COCCOCC(=O)CC(=O)OCCOC 1458a_100000211095_200000040189 [0,1,0,0,0,1|2,0,0]=4 1130 B15R0.235 C=C(CCC)CC(=O)CC(=O)OCCCC 1458a_100000138376_100000211628 [0,1,0,0,0,1|1,0,1]=4 1131 B15R0.235 CCCC(C)CC(=O)CC(=O)OCCOC 1458a_100000748435_200000040189 [0,1,0,0,0,1|2,0,0]=4 1132 B15R0.235 CCCCCC(=O)CC(=O)CC(C)CCC 1458a_100000748435_200012276598 [0,1,0,0,0,1|2,0,0]=4 1133 B15R0.235 CCCCNC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000182744 [0,1,0,0,0,1|2,0,0]=4 1134 B15R0.235 CCCCOC(=O)CC(=O)C=C(C)CCC 1458a_100020676950_100000211628 [0,1,0,0,0,1|1,0,1]=4 1135 B15R0.235 CCCCOC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000211628 [0,1,0,0,0,1|1,0,0]=3 1136 B15R0.235 CCCCOC(=O)CC(=O)CC(C)SCC 1458a_200011311441_100000211628 [0,1,0,0,0,1|2,0,0]=4 1137 B15R0.235 CCCCOC(=O)CC(=O)CS(=O)CCC 1458a_100011387404_100000211628 [0,1,0,0,0,1|2,0,0]=4 1138 B15R0.371 CCCCCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_200012276598 [0,1,0,0,0,1|2,0,0]=4 1139 B15R0.371 CCCCNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000182744 [0,1,0,0,0,1|2,0,0]=4 1140 B15R0.371 CCCCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000211628 [0,1,0,0,0,1|1,0,0]=3 1141 B15R0.371 CCCCOC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000211628 [0,1,0,0,0,1|2,0,0]=4 1142 B15R0.371 COCCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_200000040189 [0,1,0,0,0,1|2,0,0]=4 1143 B15R0.5203 CCC(C)CCC(=O)CC(=O)OCCOC 1458a_100000701222_200000040189 [0,1,0,0,0,1|2,0,0]=4 1144 B15R0.5203 CCCCCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_200012276598 [0,1,0,0,0,1|2,0,0]=4 1145 B15R0.5203 CCCCNC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000182744 [0,1,0,0,0,1|2,0,0]=4 1146 B15R0.5203 CCCCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000211628 [0,1,0,0,0,1|1,0,0]=3 1147 B15R0.5203 CCCCOC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000211628 [0,1,0,0,0,1|2,0,0]=4 1148 B15R0.5203 CCCCOC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000211628 [0,1,0,0,0,1|2,0,0]=4 1149 B15R0.5204 CCC/C=C(\C)/C(=O)CC(=O)OCCCC 1458a_200020648666_100000211628 [0,1,0,0,0,1|1,0,1]=4 1150 B15R0.5204 CCCCC(C)C(=O)CC(=O)OCCOC 1458a_100000725509_200000040189 [0,1,0,0,0,1|2,0,0]=4 1151 B15R0.5204 CCCCC(O)C(=O)CC(=O)OCCOC 1458a_100000720857_200000040189 [0,1,0,0,0,1|2,0,0]=4 1152 B15R0.5204 CCCCCC(=O)CC(=O)C(C)CCCC 1458a_100000725509_200012276598 [0,1,0,0,0,1|2,0,0]=4 1153 B15R0.5204 CCCCCC(=O)CC(=O)C(O)CCCC 1458a_100000720857_200012276598 [0,1,0,0,0,1|2,0,0]=4 1154 B15R0.5204 CCCCCC(=O)CC(=O)N(C)CCCC 1458a_100000212188_100000230175 [0,1,0,0,0,1|2,0,0]=4 1155 B15R0.5204 CCCCNC(=O)CC(=O)C(C)CCCC 1458a_100000725509_100000182744 [0,1,0,0,0,1|2,0,0]=4 1156 B15R0.5204 CCCCNC(=O)CC(=O)C(O)CCCC 1458a_100000720857_100000182744 [0,1,0,0,0,1|2,0,0]=4 1157 B15R0.5204 CCCCOC(=O)CC(=O)C(=O)NCCC 1458a_200011297150_100000211628 [0,1,0,0,0,1|2,0,0]=4 1158 B15R0.5204 CCCCOC(=O)CC(=O)C(C)CCCC 1458a_100000725509_100000211628 [0,1,0,0,0,1|1,0,0]=3 1159 B15R0.5204 CCCCOC(=O)CC(=O)C(O)CCCC 1458a_100000720857_100000211628 [0,1,0,0,0,1|1,0,0]=3 1160 B15R0.5204 CCCCOC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000211628 [0,1,0,0,0,1|2,0,0]=4 1161 B15R0.5215 CCCC#CC(=O)C(C)C(=O)OCCCC 1458a_200011218047_100000759602 [0,1,0,0,0,1|1,0,1]=4 1162 B15R0.5215 CCCC=CC(=O)C(C)C(=O)OCCCC 1458a_100000212230_100000759602 [0,1,0,0,0,1|1,0,1]=4 1163 B15R0.5215 CCCCCC(=O)C(C)C(=O)NCCCC 1458a_100000212188_100000735917 [0,1,0,0,0,1|2,0,0]=4 1164 B15R0.5215 CCCCCC(=O)C(C)C(=O)OCCCC 1458a_100000212188_100000759602 [0,1,0,0,0,1|1,0,0]=3 1165 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000759602 [0,1,0,0,0,1|2,0,0]=4 1166 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100000759602 [0,1,0,0,0,1|2,0,0]=4 1167 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000759602 [0,1,0,0,0,1|2,0,0]=4 1168 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCOCC 1458a_100000749530_100000759602 [0,1,0,0,0,1|2,0,0]=4 1169 B15R0.5215 CCCCOC(=O)C(C)C(=O)CCSCC 1458a_100000230768_100000759602 [0,1,0,0,0,1|2,0,0]=4 1170 B15R0.5215 CCCCOC(=O)C(C)C(=O)COCCC 1458a_100000745993_100000759602 [0,1,0,0,0,1|2,0,0]=4 1171 B15R0.5215 CCCCOC(=O)C(C)C(=O)CSCCC 1458a_100000217233_100000759602 [0,1,0,0,0,1|2,0,0]=4 1172 B15R0.40 CCCC(C)OC(C)C(=O)OCCC(C)C 34a_200000034679_100000766640 [0,2,0,0,0,0|1,0,1]=4 1173 B15R0.40 CCCC(C)OC(C)C(=O)OCCC(C)C 7a_200000034679_100000766640 [0,2,0,0,0,0|1,0,1]=4 1174 B15R0.166 CCCCOC(=O)C(C)OC[C@H](N)C(C)C 34a_100011830312_100000759602 [0,2,0,0,0,0|1,0,1]=4 1175 B15R0.241 CCCCOC(=O)[C@H](CC)OCCC(C)C 34a_100020628826_100000210312 [0,2,0,0,0,0|1,0,1]=4 1176 B15R0.241 CCCCOC(=O)[C@H](CC)OCCC(C)C 7a_100020628826_100000210626 [0,2,0,0,0,0|1,0,1]=4 1177 B15R0.241 CCCCOC(=O)[C@H](CC)OCCC(C)O 34a_100020628826_100012276601 [0,2,0,0,0,0|1,0,1]=4 1178 B15R0.241 CCCCOC(=O)[C@H](CC)OCCC(C)O 7a_100020628826_100012276601 [0,2,0,0,0,0|1,0,1]=4 1179 B15R0.329 CC(C)CCOC(=O)C(C)OCCCCF 34a_200000034679_100000729493 [0,2,0,0,0,0|1,0,1]=4 1180 B15R0.329 CC(C)CCOC(=O)C(C)OCCCCF 7a_200000034679_100000729493 [0,2,0,0,0,0|1,0,1]=4 1181 B15R0.329 CC(C)CCOC(=O)C(C)OCCCCO 34a_200000034679_100011216708 [0,2,0,0,0,0|1,0,1]=4 1182 B15R0.329 CC(C)CCOC(=O)C(C)OCCCCO 7a_200000034679_100000210776 [0,2,0,0,0,0|1,0,1]=4 1183 B15R0.329 CCCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000718602 [0,2,0,0,0,0|1,0,1]=4 1184 B15R0.329 CCCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000210326 [0,2,0,0,0,0|1,0,1]=4 1185 B15R0.329 CCOCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000210147 [0,2,0,0,0,0|1,0,1]=4 1186 B15R0.329 CCOCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100011215890 [0,2,0,0,0,0|1,0,1]=4 1187 B15R0.329 CCSCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000757381 [0,2,0,0,0,0|1,0,1]=4 1188 B15R0.329 CCSCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000757381 [0,2,0,0,0,0|1,0,1]=4 1189 B15R0.329 COCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000740836 [0,2,0,0,0,0|1,0,1]=4 1190 B15R0.329 COCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000740836 [0,2,0,0,0,0|1,0,1]=4 1191 B15R0.3192 CCCCOC(=O)C(C)OCCC(C)CC 7a_100011215188_100000759602 [0,2,0,0,0,0|1,0,1]=4 1192 B15R0.3192 CCCCOC(=O)C(C)OCCC(C)OC 7a_100000764861_100000759602 [0,2,0,0,0,0|1,0,1]=4 1193 B15R0.3194 CCCCOC(=O)C(C)OC(C)CC(C)C 34a_100000038973_100000731052 [0,2,0,0,0,0|1,0,1]=4 1194 B15R0.3194 CCCCOC(=O)C(C)OC(C)CC(C)C 34a_100000211805_100000759602 [0,2,0,0,0,0|1,0,1]=4 1195 B15R0.3194 CCCCOC(=O)C(C)OC(C)CC(C)C 7a_100000038973_100000731052 [0,2,0,0,0,0|1,0,1]=4 1196 B15R0.3194 CCCCOC(=O)C(C)OC(C)CC(C)C 7a_100000211805_100000759602 [0,2,0,0,0,0|1,0,1]=4 1197 B15R0.3202 CCCCOC(=O)C(C)OCCC(C)(C)C 34a_100000038973_100000755188 [0,2,0,0,0,0|1,0,1]=4 1198 B15R0.3202 CCCCOC(=O)C(C)OCCC(C)(C)C 7a_100000038973_100000755188 [0,2,0,0,0,0|1,0,1]=4 1199 B15R0.3202 CCCCOC(=O)C(C)OCCC(C)(C)C 7a_100000765024_100000759602 [0,2,0,0,0,0|1,0,1]=4 1200 B15R0.3202 CCCCOC(=O)C(C)OCCC(C)(C)O 34a_100000038973_100000702414 [0,2,0,0,0,0|1,0,1]=4 1201 B15R0.3202 CCCCOC(=O)C(C)OCCC(C)(C)O 7a_100000038973_100000702414 [0,2,0,0,0,0|1,0,1]=4 1202 B15R0.3302 CCC(C)COC(C)C(=O)OCCC(C)C 34a_200000034679_100000748023 [0,2,0,0,0,0|1,0,1]=4 1203 B15R0.3302 CCC(C)COC(C)C(=O)OCCC(C)C 7a_200000034679_100000748023 [0,2,0,0,0,0|1,0,1]=4 1204 B15R0.3302 CCC(O)COC(C)C(=O)OCCC(C)C 34a_200000034679_100011218378 [0,2,0,0,0,0|1,0,1]=4 1205 B15R0.3302 CCC(O)COC(C)C(=O)OCCC(C)C 7a_200000034679_100011218378 [0,2,0,0,0,0|1,0,1]=4 1206 B15R0.3302 CC[C@H](C)COC(C)C(=O)OCCC(C)C 34a_200000034679_100009816398 [0,2,0,0,0,0|1,0,1]=4 1207 B15R0.3302 CC[C@H](C)COC(C)C(=O)OCCC(C)C 7a_200000034679_100009816398 [0,2,0,0,0,0|1,0,1]=4 1208 B15R0.3320 CC(C)CCOC(=O)C(C)OCCC(C)C 34a_200000034679_100000210312 [0,2,0,0,0,0|1,0,1]=4 1209 B15R0.3320 CC(C)CCOC(=O)C(C)OCCC(C)C 7a_200000034679_100000210626 [0,2,0,0,0,0|1,0,1]=4 1210 B15R0.3320 CC(C)CCOC(=O)C(C)OCCC(C)O 34a_200000034679_100012276601 [0,2,0,0,0,0|1,0,1]=4 1211 B15R0.3320 CC(C)CCOC(=O)C(C)OCCC(C)O 7a_200000034679_100012276601 [0,2,0,0,0,0|1,0,1]=4 1212 B15R0.4401 CCCCCO[C@@H](CC)C(=O)OCCCC 34a_100020628826_100000718602 [0,2,0,0,0,0|1,0,1]=4 1213 B15R0.4401 CCCCCO[C@@H](CC)C(=O)OCCCC 7a_100020628826_100000210326 [0,2,0,0,0,0|1,0,1]=4 1214 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCCCF 34a_100020628826_100000729493 [0,2,0,0,0,0|1,0,1]=4 1215 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCCCF 7a_100020628826_100000729493 [0,2,0,0,0,0|1,0,1]=4 1216 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCCCO 34a_100020628826_100011216708 [0,2,0,0,0,0|1,0,1]=4 1217 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCCCO 7a_100020628826_100000210776 [0,2,0,0,0,0|1,0,1]=4 1218 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCCOC 34a_100020628826_100000740836 [0,2,0,0,0,0|1,0,1]=4 1219 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCCOC 7a_100020628826_100000740836 [0,2,0,0,0,0|1,0,1]=4 1220 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCOCC 34a_100020628826_100000210147 [0,2,0,0,0,0|1,0,1]=4 1221 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCOCC 7a_100020628826_100011215890 [0,2,0,0,0,0|1,0,1]=4 1222 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCSCC 34a_100020628826_100000757381 [0,2,0,0,0,0|1,0,1]=4 1223 B15R0.4401 CCCCOC(=O)[C@H](CC)OCCSCC 7a_100020628826_100000757381 [0,2,0,0,0,0|1,0,1]=4 1224 B15R0.5221 CCCCOC(=O)[C@H](CC)OC(C)CCC 34a_100020628826_100000766640 [0,2,0,0,0,0|1,0,1]=4 1225 B15R0.5221 CCCCOC(=O)[C@H](CC)OC(C)CCC 7a_100020628826_100000766640 [0,2,0,0,0,0|1,0,1]=4 1226 B15R0.5222 CCCCOC(=O)[C@H](CC)OCC(C)CC 34a_100020628826_100000748023 [0,2,0,0,0,0|1,0,1]=4 1227 B15R0.5222 CCCCOC(=O)[C@H](CC)OCC(C)CC 7a_100020628826_100000748023 [0,2,0,0,0,0|1,0,1]=4 1228 B15R0.5222 CCCCOC(=O)[C@H](CC)OCC(O)CC 34a_100020628826_100011218378 [0,2,0,0,0,0|1,0,1]=4 1229 B15R0.5222 CCCCOC(=O)[C@H](CC)OCC(O)CC 7a_100020628826_100011218378 [0,2,0,0,0,0|1,0,1]=4 1230 B15R0.5222 CCCCOC(=O)[C@H](CC)OC[C@@H](C)CC 34a_100020628826_100009816398 [0,2,0,0,0,0|1,0,1]=4 1231 B15R0.5222 CCCCOC(=O)[C@H](CC)OC[C@@H](C)CC 7a_100020628826_100009816398 [0,2,0,0,0,0|1,0,1]=4 1232 B15R0.2130 CCCCOC(=O)C(C)OCC(CC)CC 34a_100000038973_100011215472 [0,2,0,0,0,0|1,0,1]=4 1233 B15R0.2130 CCCCOC(=O)C(C)OCC(CC)CC 7a_100000038973_100011215472 [0,2,0,0,0,0|1,0,1]=4 1234 B15R0.2130 CCCCOC(=O)C(C)OCC(CC)CC 7a_100000703878_100000759602 [0,2,0,0,0,0|1,0,1]=4 1235 B15R0.2130 CCCCOC(=O)C(C)OCC(CC)OC 34a_100011934954_100000759602 [0,2,0,0,0,0|1,0,1]=4 1236 B15R0.2130 CCCCOC(=O)C(C)OCC(CC)OC 7a_100011934954_100000759602 [0,2,0,0,0,0|1,0,1]=4 1237 B15R0.2140 CCCCOC(=O)C(C)OCC(=O)CCC 7a_100000038973_100000747444 [0,2,0,0,0,0|1,0,1]=4 1238 B15R0.2140 CCCCOC(=O)C(C)OCC(C)CCC 34a_100000038973_100011216630 [0,2,0,0,0,0|1,0,1]=4 1239 B15R0.2140 CCCCOC(=O)C(C)OCC(C)CCC 34a_100000688023_100000759602 [0,2,0,0,0,0|1,0,1]=4 1240 B15R0.2140 CCCCOC(=O)C(C)OCC(C)CCC 7a_100000038973_100011216630 [0,2,0,0,0,0|1,0,1]=4 1241 B15R0.2140 CCCCOC(=O)C(C)OCC(C)CCC 7a_100000688023_100000759602 [0,2,0,0,0,0|1,0,1]=4 1242 B15R0.2140 CCCCOC(=O)C(C)OCC(C)CCN 34a_106354213184_100000759602 [0,2,0,0,0,0|1,0,1]=4 1243 B15R0.2140 CCCCOC(=O)C(C)OCC(N)COC 34a_100000724102_100000759602 [0,2,0,0,0,0|1,0,1]=4 1244 B15R0.2140 CCCCOC(=O)C(C)OCC(O)COC 34a_100000038973_100011215053 [0,2,0,0,0,0|1,0,1]=4 1245 B15R0.2140 CCCCOC(=O)C(C)OCC(O)COC 7a_100000038973_100011215053 [0,2,0,0,0,0|1,0,1]=4 1246 B15R0.2140 CCCCOC(=O)C(C)OC[C@@H](N)CCC 34a_100000732646_100000759602 [0,2,0,0,0,0|1,0,1]=4 1247 B15R0.2315 CCCCOC(=O)C(C)OCC(C)(C)CC 7a_100000765029_100000759602 [0,2,0,0,0,0|1,0,1]=4 1248 B15R0.3208 CCCCOC(=O)C(C)OC(C)C(C)CC 7a_100011215189_100000759602 [0,2,0,0,0,0|1,0,1]=4 1249 B15R0.1556 C#CCCCCOC(C)C(=O)OCCCC 34a_100000038973_100010269958 [0,2,0,0,0,0|1,0,1]=4 1250 B15R0.1556 C#CCCCCOC(C)C(=O)OCCCC 34a_100000766709_100000759602 [0,2,0,0,0,0|1,0,1]=4 1251 B15R0.1556 C#CCCCCOC(C)C(=O)OCCCC 7a_100000038973_100010269958 [0,2,0,0,0,0|1,0,1]=4 1252 B15R0.1556 C#CCCCCOC(C)C(=O)OCCCC 7a_100000766709_100000759602 [0,2,0,0,0,0|1,0,1]=4 1253 B15R0.1556 C=CCCCCOC(C)C(=O)OCCCC 34a_100000038973_100011215482 [0,2,0,0,0,0|1,0,1]=4 1254 B15R0.1556 C=CCCCCOC(C)C(=O)OCCCC 34a_100000766645_100000759602 [0,2,0,0,0,0|1,0,1]=4 1255 B15R0.1556 C=CCCCCOC(C)C(=O)OCCCC 7a_100000038973_100011215482 [0,2,0,0,0,0|1,0,1]=4 1256 B15R0.1556 C=CCCCCOC(C)C(=O)OCCCC 7a_100000766645_100000759602 [0,2,0,0,0,0|1,0,1]=4 1257 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCCC 34a_200020655201_100000210210 [0,2,0,0,0,0|1,0,1]=4 1258 B15R0.1556 CC/C=C\CCOC(=O)C(C)OCCCC 7a_200020655201_100000210211 [0,2,0,0,0,0|1,0,1]=4 1259 B15R0.1556 CC/C=C\CCOC(C)C(=O)OCCCC 34a_100000038973_100015370543 [0,2,0,0,0,0|1,0,1]=4 1260 B15R0.1556 CC/C=C\CCOC(C)C(=O)OCCCC 34a_100016288707_100000759602 [0,2,0,0,0,0|1,0,1]=4 1261 B15R0.1556 CC/C=C\CCOC(C)C(=O)OCCCC 7a_100000038973_100015370543 [0,2,0,0,0,0|1,0,1]=4 1262 B15R0.1556 CC/C=C\CCOC(C)C(=O)OCCCC 7a_100016288707_100000759602 [0,2,0,0,0,0|1,0,1]=4 1263 B15R0.1556 CC=CCCCOC(C)C(=O)OCCCC 34a_100020645299_100000759602 [0,2,0,0,0,0|1,0,1]=4 1264 B15R0.1556 CCC#CCCOC(C)C(=O)OCCCC 34a_100000036655_100000759602 [0,2,0,0,0,0|1,0,1]=4 1265 B15R0.1556 CCC#CCCOC(C)C(=O)OCCCC 7a_100000036655_100000759602 [0,2,0,0,0,0|1,0,1]=4 1266 B15R0.1556 CCC/C=C/COC(C)C(=O)OCCCC 34a_100016278788_100000759602 [0,2,0,0,0,0|1,0,1]=4 1267 B15R0.1556 CCC/C=C/COC(C)C(=O)OCCCC 7a_100016278788_100000759602 [0,2,0,0,0,0|1,0,1]=4 1268 B15R0.1556 CCCC#CCOC(C)C(=O)OCCCC 34a_100000034806_100000759602 [0,2,0,0,0,0|1,0,1]=4 1269 B15R0.1556 CCCC#CCOC(C)C(=O)OCCCC 7a_100000034806_100000759602 [0,2,0,0,0,0|1,0,1]=4 1270 B15R0.1556 CCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000210314 [0,2,0,0,0,0|1,0,1]=4 1271 B15R0.1556 CCCCCCOC(C)C(=O)OCCCC 34a_100000210259_100000759602 [0,2,0,0,0,0|1,0,1]=4 1272 B15R0.1556 CCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210314 [0,2,0,0,0,0|1,0,1]=4 1273 B15R0.1556 CCCCCCOC(C)C(=O)OCCCC 7a_100000210259_100000759602 [0,2,0,0,0,0|1,0,1]=4 1274 B15R0.1556 CCCCOC(=O)C(C)OCCCCC#N 7a_100000038973_100000211819 [0,2,0,0,0,0|1,0,1]=4 1275 B15R0.1556 CCCCOC(=O)C(C)OCCCCC=O 7a_100000038973_100000139335 [0,2,0,0,0,0|1,0,1]=4 1276 B15R0.1556 CCCCOC(=O)C(C)OCCCCCBr 34a_100000746331_100000759602 [0,2,0,0,0,0|1,0,1]=4 1277 B15R0.1556 CCCCOC(=O)C(C)OCCCCCBr 7a_100000746331_100000759602 [0,2,0,0,0,0|1,0,1]=4 1278 B15R0.1556 CCCCOC(=O)C(C)OCCCCCCl 34a_100000746330_100000759602 [0,2,0,0,0,0|1,0,1]=4 1279 B15R0.1556 CCCCOC(=O)C(C)OCCCCCCl 7a_100000746330_100000759602 [0,2,0,0,0,0|1,0,1]=4 1280 B15R0.1556 CCCCOC(=O)C(C)OCCCCCF 34a_100000038973_100000729378 [0,2,0,0,0,0|1,0,1]=4 1281 B15R0.1556 CCCCOC(=O)C(C)OCCCCCF 7a_100000038973_100000729378 [0,2,0,0,0,0|1,0,1]=4 1282 B15R0.1556 CCCCOC(=O)C(C)OCCCCCI 34a_200012148887_100000759602 [0,2,0,0,0,0|1,0,1]=4 1283 B15R0.1556 CCCCOC(=O)C(C)OCCCCCI 7a_200012148887_100000759602 [0,2,0,0,0,0|1,0,1]=4 1284 B15R0.1556 CCCCOC(=O)C(C)OCCCCCN 34a_100000762737_100000759602 [0,2,0,0,0,0|1,0,1]=4 1285 B15R0.1556 CCCCOC(=O)C(C)OCCCCCO 34a_100000038973_100000746330 [0,2,0,0,0,0|1,0,1]=4 1286 B15R0.1556 CCCCOC(=O)C(C)OCCCCCO 7a_100000038973_100000746330 [0,2,0,0,0,0|1,0,1]=4 1287 B15R0.1556 CCCCOC(=O)C(C)OCCCCOC 34a_100000038973_100000755781 [0,2,0,0,0,0|1,0,1]=4 1288 B15R0.1556 CCCCOC(=O)C(C)OCCCCOC 34a_100000740925_100000759602 [0,2,0,0,0,0|1,0,1]=4 1289 B15R0.1556 CCCCOC(=O)C(C)OCCCCOC 7a_100000038973_100000730899 [0,2,0,0,0,0|1,0,1]=4 1290 B15R0.1556 CCCCOC(=O)C(C)OCCCCSC 34a_100011217163_100000759602 [0,2,0,0,0,0|1,0,1]=4 1291 B15R0.1556 CCCCOC(=O)C(C)OCCCCSC 7a_100011217163_100000759602 [0,2,0,0,0,0|1,0,1]=4 1292 B15R0.1556 CCCCOC(=O)C(C)OCCCOCC 34a_100000038973_100012232248 [0,2,0,0,0,0|1,0,1]=4 1293 B15R0.1556 CCCCOC(=O)C(C)OCCCOCC 34a_100000757476_100000759602 [0,2,0,0,0,0|1,0,1]=4 1294 B15R0.1556 CCCCOC(=O)C(C)OCCCOCC 7a_100000038973_100012232248 [0,2,0,0,0,0|1,0,1]=4 1295 B15R0.1556 CCCCOC(=O)C(C)OCCCOCC 7a_100000757476_100000759602 [0,2,0,0,0,0|1,0,1]=4 1296 B15R0.1556 CCCCOC(=O)C(C)OCCCSCC 34a_100011216438_100000759602 [0,2,0,0,0,0|1,0,1]=4 1297 B15R0.1556 CCCCOC(=O)C(C)OCCCSCC 7a_100011216438_100000759602 [0,2,0,0,0,0|1,0,1]=4 1298 B15R0.1556 CCCCOC(=O)C(C)OCCOCCBr 34a_100000692535_100000759602 [0,2,0,0,0,0|1,0,1]=4 1299 B15R0.1556 CCCCOC(=O)C(C)OCCOCCBr 7a_100000692535_100000759602 [0,2,0,0,0,0|1,0,1]=4 1300 B15R0.1556 CCCCOC(=O)C(C)OCCOCCC 34a_100000038973_100011215938 [0,2,0,0,0,0|1,0,1]=4 1301 B15R0.1556 CCCCOC(=O)C(C)OCCOCCC 34a_100000752267_100000759602 [0,2,0,0,0,0|1,0,1]=4 1302 B15R0.1556 CCCCOC(=O)C(C)OCCOCCC 7a_100000038973_100011215938 [0,2,0,0,0,0|1,0,1]=4 1303 B15R0.1556 CCCCOC(=O)C(C)OCCOCCC 7a_100000752267_100000759602 [0,2,0,0,0,0|1,0,1]=4 1304 B15R0.1556 CCCCOC(=O)C(C)OCCOCCCl 34a_100011215305_100000759602 [0,2,0,0,0,0|1,0,1]=4 1305 B15R0.1556 CCCCOC(=O)C(C)OCCOCCCl 7a_100011215305_100000759602 [0,2,0,0,0,0|1,0,1]=4 1306 B15R0.1556 CCCCOC(=O)C(C)OCCOCCF 34a_200015357709_100000759602 [0,2,0,0,0,0|1,0,1]=4 1307 B15R0.1556 CCCCOC(=O)C(C)OCCOCCF 7a_200015357709_100000759602 [0,2,0,0,0,0|1,0,1]=4 1308 B15R0.1556 CCCCOC(=O)C(C)OCCOCCI 34a_100012149058_100000759602 [0,2,0,0,0,0|1,0,1]=4 1309 B15R0.1556 CCCCOC(=O)C(C)OCCOCCI 7a_100012149058_100000759602 [0,2,0,0,0,0|1,0,1]=4 1310 B15R0.1556 CCCCOC(=O)C(C)OCCOCCN 34a_100000211614_100000759602 [0,2,0,0,0,0|1,0,1]=4 1311 B15R0.1556 CCCCOC(=O)C(C)OCCOCCO 34a_100000038973_100000692535 [0,2,0,0,0,0|1,0,1]=4 1312 B15R0.1556 CCCCOC(=O)C(C)OCCOCCO 7a_100000038973_100011215305 [0,2,0,0,0,0|1,0,1]=4 1313 B15R0.1556 CCCCOC(=O)C(C)OCCSCCC 34a_200000230433_100000759602 [0,2,0,0,0,0|1,0,1]=4 1314 B15R0.1556 CCCCOC(=O)C(C)OCCSCCC 7a_200000230433_100000759602 [0,2,0,0,0,0|1,0,1]=4 1315 B15R0.1556 CCCCOCOC(C)C(=O)OCCCC 34a_100000038973_100011995733 [0,2,0,0,0,0|1,0,1]=4 1316 B15R0.1556 CCCCOCSC(C)C(=O)OCCCC 62a_100000759602_100011995733 [0,2,0,0,0,0|1,0,1]=4 1317 B15R0.1556 CCCCOCSC(C)C(=O)OCCCC 62a_100011995733_100000759602 [0,2,0,0,0,0|1,0,1]=4 1318 B15R0.1954 CCCCOCC(=O)C(C)OCCOCC 1458a_100000743585_100011995733 [0,2,0,0,0,0|1,0,1]=4 1319 B15R0.2141 CCCCOC(=O)C(C)OC(C)CCCC 34a_100000038973_200011215066 [0,2,0,0,0,0|1,0,1]=4 1320 B15R0.2141 CCCCOC(=O)C(C)OC(C)CCCC 34a_100000687866_100000759602 [0,2,0,0,0,0|1,0,1]=4 1321 B15R0.2141 CCCCOC(=O)C(C)OC(C)CCCC 7a_100000038973_200011215066 [0,2,0,0,0,0|1,0,1]=4 1322 B15R0.2141 CCCCOC(=O)C(C)OC(C)CCCC 7a_100000687866_100000759602 [0,2,0,0,0,0|1,0,1]=4 1323 B15R0.2141 CCCCOC(=O)C(C)OC(C)CCCCl 34a_200000718107_100000759602 [0,2,0,0,0,0|1,0,1]=4 1324 B15R0.2141 CCCCOC(=O)C(C)OC(C)CCCCl 7a_200000718107_100000759602 [0,2,0,0,0,0|1,0,1]=4 1325 B15R0.2141 CCCCOC(=O)C(C)OC(C)COCC 34a_100000718985_100000759602 [0,2,0,0,0,0|1,0,1]=4 1326 B15R0.2141 CCCCOC(=O)C(C)OC(C)COCC 7a_100000718985_100000759602 [0,2,0,0,0,0|1,0,1]=4 1327 B15R0.3196 CCCCOC(=O)C(C)OCCCC(=O)C 34a_100000038973_100000685027 [0,2,0,0,0,0|1,0,1]=4 1328 B15R0.3196 CCCCOC(=O)C(C)OCCCC(=O)C 34a_100000759063_100000759602 [0,2,0,0,0,0|1,0,1]=4 1329 B15R0.3196 CCCCOC(=O)C(C)OCCCC(=O)C 7a_100000038973_100011215641 [0,2,0,0,0,0|1,0,1]=4 1330 B15R0.3196 CCCCOC(=O)C(C)OCCCC(=O)C 7a_100000759063_100000759602 [0,2,0,0,0,0|1,0,1]=4 1331 B15R0.3196 CCCCOC(=O)C(C)OCCCC(C)C 34a_100000038973_100011214892 [0,2,0,0,0,0|1,0,1]=4 1332 B15R0.3196 CCCCOC(=O)C(C)OCCCC(C)C 34a_100000210774_100000759602 [0,2,0,0,0,0|1,0,1]=4 1333 B15R0.3196 CCCCOC(=O)C(C)OCCCC(C)C 7a_100000038973_100011214892 [0,2,0,0,0,0|1,0,1]=4 1334 B15R0.3196 CCCCOC(=O)C(C)OCCCC(C)C 7a_100000210774_100000759602 [0,2,0,0,0,0|1,0,1]=4 1335 B15R0.3196 CCCCOC(=O)C(C)OCCCC(C)O 34a_100000038973_200000718107 [0,2,0,0,0,0|1,0,1]=4 1336 B15R0.3196 CCCCOC(=O)C(C)OCCCC(C)O 7a_100000038973_200000718107 [0,2,0,0,0,0|1,0,1]=4 1337 B15R0.3196 CCCCOC(=O)C(C)OCCCN(C)C 7a_100000038973_100000757444 [0,2,0,0,0,0|1,0,1]=4 1338 B15R0.3196 CCCCOC(=O)C(C)OCCNC(C)C 34a_100000224655_100000759602 [0,2,0,0,0,0|1,0,1]=4 1339 B15R0.3196 CCCCOC(=O)C(C)OCCOC(C)C 34a_100000038973_100000211751 [0,2,0,0,0,0|1,0,1]=4 1340 B15R0.3196 CCCCOC(=O)C(C)OCCOC(C)C 34a_100000211219_100000759602 [0,2,0,0,0,0|1,0,1]=4 1341 B15R0.3196 CCCCOC(=O)C(C)OCCOC(C)C 7a_100000038973_100000211751 [0,2,0,0,0,0|1,0,1]=4 1342 B15R0.3196 CCCCOC(=O)C(C)OCCOC(C)C 7a_100000211219_100000759602 [0,2,0,0,0,0|1,0,1]=4 1343 B15R0.3196 CCCCOC(=O)C(C)OCCSC(C)C 34a_100000038973_100000730970 [0,2,0,0,0,0|1,0,1]=4 1344 B15R0.3196 CCCCOC(=O)C(C)OCCSC(C)C 34a_200011212901_100000759602 [0,2,0,0,0,0|1,0,1]=4 1345 B15R0.3196 CCCCOC(=O)C(C)OCCSC(C)C 7a_100000038973_100000730970 [0,2,0,0,0,0|1,0,1]=4 1346 B15R0.3196 CCCCOC(=O)C(C)OCCSC(C)C 7a_200011212901_100000759602 [0,2,0,0,0,0|1,0,1]=4 1347 B15R0.3204 C#CC(CCC)OC(C)C(=O)OCCCC 34a_200011217317_100000759602 [0,2,0,0,0,0|1,0,1]=4 1348 B15R0.3204 C#CC(CCC)OC(C)C(=O)OCCCC 7a_200011217317_100000759602 [0,2,0,0,0,0|1,0,1]=4 1349 B15R0.3204 C=CC(CCC)OC(C)C(=O)OCCCC 34a_100011216692_100000759602 [0,2,0,0,0,0|1,0,1]=4 1350 B15R0.3204 C=CC(CCC)OC(C)C(=O)OCCCC 7a_100011216692_100000759602 [0,2,0,0,0,0|1,0,1]=4 1351 B15R0.3204 CCCCOC(=O)C(C)OC(C#N)CCC 34a_100000686963_100000759602 [0,2,0,0,0,0|1,0,1]=4 1352 B15R0.3204 CCCCOC(=O)C(C)OC(C#N)CCC 7a_100000686963_100000759602 [0,2,0,0,0,0|1,0,1]=4 1353 B15R0.3204 CCCCOC(=O)C(C)OC(CC)CCC 34a_100000687864_100000759602 [0,2,0,0,0,0|1,0,1]=4 1354 B15R0.3204 CCCCOC(=O)C(C)OC(CC)CCC 7a_100000038973_100011219200 [0,2,0,0,0,0|1,0,1]=4 1355 B15R0.3204 CCCCOC(=O)C(C)OC(CC)CCC 7a_100000687864_100000759602 [0,2,0,0,0,0|1,0,1]=4 1356 B15R0.4962 CCCCOC(=O)C(C)OC(C)(C)CCC 7a_100000748436_100000759602 [0,2,0,0,0,0|1,0,1]=4 1357 B13R1.24 CCCCCC(=O)C1=CCCCC1 1458a_100000765259_100000210326 [1,0,0,1,0,0|2,0,0]=4 1358 B13R1.24 CCCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210326 [1,0,0,1,0,0|1,0,1]=4 1359 B13R1.24 CCCCCC(=O)C1CCCCO1 1458a_100000748299_100000210326 [1,0,0,1,0,0|1,0,1]=4 1360 B13R1.24 CCCCNC(=O)C1=CCCCC1 11a_100000102301_100000765259 [1,0,0,1,0,0|2,0,0]=4 1361 B13R1.24 CCCCNC(=O)C1=CCCCC1 1626a_100000102301_100000765259 [1,0,0,1,0,0|2,0,0]=4 1362 B13R1.24 CCCCNC(=O)C1=CCCCC1 240690a_100000102301_100000765259 [1,0,0,1,0,0|2,0,0]=4 1363 B13R1.24 CCCCNC(=O)C1=CCCCC1 527a_100000102301_100000765259 [1,0,0,1,0,0|2,0,0]=4 1364 B13R1.24 CCCCNC(=O)C1=CCCCO1 11a_100000102301_100000764163 [1,0,0,1,0,0|1,0,1]=4 1365 B13R1.24 CCCCNC(=O)C1=CCCCO1 1626a_100000102301_100000764163 [1,0,0,1,0,0|1,0,1]=4 1366 B13R1.24 CCCCNC(=O)C1=CCCCO1 240690a_100000102301_100000764163 [1,0,0,1,0,0|1,0,1]=4 1367 B13R1.24 CCCCNC(=O)C1=CCCCO1 527a_100000102301_100000764163 [1,0,0,1,0,0|1,0,1]=4 1368 B13R1.24 CCCCNC(=O)C1CCCCO1 11a_100000102301_100000748299 [1,0,0,1,0,0|1,0,1]=4 1369 B13R1.24 CCCCNC(=O)C1CCCCO1 1626a_100000102301_100000748299 [1,0,0,1,0,0|1,0,1]=4 1370 B13R1.24 CCCCNC(=O)C1CCCCO1 240690a_100000102301_100000748299 [1,0,0,1,0,0|1,0,1]=4 1371 B13R1.24 CCCCNC(=O)C1CCCCO1 527a_100000102301_100000748299 [1,0,0,1,0,0|1,0,1]=4 1372 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [1,0,0,1,0,0|1,0,1]=4 1373 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [1,0,0,1,0,0|1,0,1]=4 1374 B13R1.48 CCCCC=CC(=O)C1CCCC1 1458a_100016266645_100000179811 [1,0,0,1,0,0|2,0,0]=4 1375 B13R1.48 CCCCC=CC(=O)N1CCCC1 240690a_100000188435_100016266645 [1,0,0,1,0,0|2,0,0]=4 1376 B13R1.48 CCCCOCC(=O)C1CCCC1 1458a_100000210718_100011995733 [1,0,0,1,0,0|1,0,1]=4 1377 B13R1.48 CCCCOCC(=O)C1CCCC1 1458a_100000757543_100000179811 [1,0,0,1,0,0|1,0,1]=4 1378 B13R1.48 CCCCOCC(=O)N1CCCC1 240690a_100000188435_100000757543 [1,0,0,1,0,0|1,0,1]=4 1379 B13R1.48 CCCCOCC(=O)N1CCCC1 34a_100000210227_100000183516 [1,0,0,1,0,0|1,0,1]=4 1380 B13R1.48 CCCCOCC(=O)N1CCCC1 527a_100000188435_100000757543 [1,0,0,1,0,0|1,0,1]=4 1381 B13R1.48 CCCCOCC(=O)N1CCCC1 7a_100000210227_100000183516 [1,0,0,1,0,0|1,0,1]=4 1382 B13R1.48 CCCCOCC(=O)N1CCCC1 7a_200000752455_100000210211 [1,0,0,1,0,0|1,0,1]=4 1383 B13R1.156 CCCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210326 [1,0,0,1,0,0|2,0,0]=4 1384 B13R1.156 CCCCNC(=O)C=C1CCCC1 11a_100000102301_100000743260 [1,0,0,1,0,0|2,0,0]=4 1385 B13R1.156 CCCCNC(=O)C=C1CCCC1 1626a_100000102301_100000743260 [1,0,0,1,0,0|2,0,0]=4 1386 B13R1.156 CCCCNC(=O)C=C1CCCC1 240690a_100000102301_100000743260 [1,0,0,1,0,0|2,0,0]=4 1387 B13R1.156 CCCCNC(=O)C=C1CCCC1 527a_100000102301_100000743260 [1,0,0,1,0,0|2,0,0]=4 1388 B13R1.156 CCCCOC(=O)CN1CCCC1 2230a_100000188435_100000211628 [1,0,0,1,0,0|1,0,1]=4 1389 B13R1.156 CCCCOC(=O)CN1CCCC1 269982a_100000188435_100000211628 [1,0,0,1,0,0|1,0,1]=4 1390 B13R1.728 CCCCCC(=O)COC1CCC1 34a_100000748187_200012276598 [1,0,0,1,0,0|1,0,1]=4 1391 B13R1.728 CCCCNC(=O)COC1CCC1 34a_100000748187_100000182744 [1,0,0,1,0,0|1,0,1]=4 1392 B13R1.728 CCCCOC(=O)CNC1CCC1 2230a_100000749019_100000211628 [1,0,0,1,0,0|1,0,1]=4 1393 B13R1.728 CCCCOC(=O)CNC1CCC1 34a_100000749019_100000211628 [1,0,0,1,0,0|1,0,1]=4 1394 B13R1.728 CCCCOC(=O)COC1CCC1 34a_100000748187_100000211628 [1,0,0,1,0,0|0,0,1]=3 1395 B13R1.728 CCCCOC(=O)COC1CSC1 7a_100000072292_100000211628 [1,0,0,1,0,0|1,0,1]=4 1396 B13R1.728 CCCCOC(=O)CSC1CCC1 62a_100000211628_100000749161 [1,0,0,1,0,0|0,1,1]=4 1397 B13R1.728 COCCOC(=O)COC1CCC1 34a_100000748187_200000040189 [1,0,0,1,0,0|1,0,1]=4 1398 B13R1.729 CCCCCC(=O)COCC1CC1 34a_100000211283_200012276598 [1,0,0,1,0,0|1,0,1]=4 1399 B13R1.729 CCCCNC(=O)COCC1CC1 34a_100000211283_100000182744 [1,0,0,1,0,0|1,0,1]=4 1400 B13R1.729 CCCCOC(=O)CNCC1CC1 2230a_100000735609_100000211628 [1,0,0,1,0,0|1,0,1]=4 1401 B13R1.729 CCCCOC(=O)CNCC1CC1 34a_100000735609_100000211628 [1,0,0,1,0,0|1,0,1]=4 1402 B13R1.729 CCCCOC(=O)COCC1CC1 34a_100000211283_100000211628 [1,0,0,1,0,0|0,0,1]=3 1403 B13R1.729 CCCCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000211628 [1,0,0,1,0,0|1,0,1]=4 1404 B13R1.729 CCCCOC(=O)CSCC1CC1 62a_100000211628_100000742324 [1,0,0,1,0,0|0,1,1]=4 1405 B13R1.729 CCCCOC(=O)CSCC1CC1 62a_100000756562_100000211628 [1,0,0,1,0,0|0,1,1]=4 1406 B13R1.729 COCCOC(=O)COCC1CC1 34a_100000211283_200000040189 [1,0,0,1,0,0|1,0,1]=4 1407 B13R1.2914 CCCCOCC(=O)C1CC1CC 1458a_200011661523_100011995733 [1,0,0,1,0,0|1,0,1]=4 1408 B13R1.2916 CCCCC=CC(=O)CC1CCC1 1458a_100016266645_100000763275 [1,0,0,1,0,0|2,0,0]=4 1409 B13R1.2916 CCCCC=CC(=O)NC1CCC1 11a_100000749019_100016266645 [1,0,0,1,0,0|2,0,0]=4 1410 B13R1.2916 CCCCC=CC(=O)NC1CCC1 1626a_100000749019_100016266645 [1,0,0,1,0,0|2,0,0]=4 1411 B13R1.2916 CCCCC=CC(=O)NC1CCC1 240690a_100000749019_100016266645 [1,0,0,1,0,0|2,0,0]=4 1412 B13R1.2916 CCCCOCC(=O)CC1CCC1 1458a_100000757543_100000763275 [1,0,0,1,0,0|1,0,1]=4 1413 B13R1.2916 CCCCOCC(=O)CC1CCC1 1458a_100000763092_100011995733 [1,0,0,1,0,0|1,0,1]=4 1414 B13R1.2916 CCCCOCC(=O)NC1CCC1 11a_100000749019_100000757543 [1,0,0,1,0,0|1,0,1]=4 1415 B13R1.2916 CCCCOCC(=O)NC1CCC1 1626a_100000749019_100000757543 [1,0,0,1,0,0|1,0,1]=4 1416 B13R1.2916 CCCCOCC(=O)NC1CCC1 240690a_100000749019_100000757543 [1,0,0,1,0,0|1,0,1]=4 1417 B13R1.2916 CCCCOCC(=O)NC1CCC1 527a_100000749019_100000757543 [1,0,0,1,0,0|1,0,1]=4 1418 B13R1.2917 CCCCC=CC(=O)CCC1CC1 1458a_100016266645_100000694398 [1,0,0,1,0,0|2,0,0]=4 1419 B13R1.2917 CCCCC=CC(=O)NCC1CC1 11a_100000735609_100016266645 [1,0,0,1,0,0|2,0,0]=4 1420 B13R1.2917 CCCCC=CC(=O)NCC1CC1 1626a_100000735609_100016266645 [1,0,0,1,0,0|2,0,0]=4 1421 B13R1.2917 CCCCC=CC(=O)NCC1CC1 240690a_100000735609_100016266645 [1,0,0,1,0,0|2,0,0]=4 1422 B13R1.2917 CCCCOCC(=O)CCC1CC1 1458a_100000756386_100011995733 [1,0,0,1,0,0|1,0,1]=4 1423 B13R1.2917 CCCCOCC(=O)CCC1CC1 1458a_100000757543_100000694398 [1,0,0,1,0,0|1,0,1]=4 1424 B13R1.2917 CCCCOCC(=O)NCC1CC1 11a_100000735609_100000757543 [1,0,0,1,0,0|1,0,1]=4 1425 B13R1.2917 CCCCOCC(=O)NCC1CC1 1626a_100000735609_100000757543 [1,0,0,1,0,0|1,0,1]=4 1426 B13R1.2917 CCCCOCC(=O)NCC1CC1 240690a_100000735609_100000757543 [1,0,0,1,0,0|1,0,1]=4 1427 B13R1.2917 CCCCOCC(=O)NCC1CC1 527a_100000735609_100000757543 [1,0,0,1,0,0|1,0,1]=4 1428 B13R1.2918 CCCCC=CC(=O)N1CCC1C 11a_100000755817_100016266645 [1,0,0,1,0,0|2,0,0]=4 1429 B13R1.2918 CCCCC=CC(=O)N1CCC1C 240690a_100000755817_100016266645 [1,0,0,1,0,0|2,0,0]=4 1430 B13R1.2918 CCCCOCC(=O)N1CCC1C 11a_100000755817_100000757543 [1,0,0,1,0,0|1,0,1]=4 1431 B13R1.2918 CCCCOCC(=O)N1CCC1C 240690a_100000755817_100000757543 [1,0,0,1,0,0|1,0,1]=4 1432 B13R1.2918 CCCCOCC(=O)N1CCC1C 527a_100000755817_100000757543 [1,0,0,1,0,0|1,0,1]=4 1433 B13R1.3538 CCCCOC(=O)CN1CCC1C 269982a_100000755817_100000211628 [1,0,0,1,0,0|1,0,1]=4 1434 B13R1.3538 CCCCOC(=O)CN1CCC1C 34a_100000755817_100000211628 [1,0,0,1,0,0|1,0,1]=4 1435 B13R1.166 CCCNC(=O)C(=O)C1CCCC1 1458a_200011297150_100000179811 [1,0,0,1,0,0|2,0,0]=4 1436 B13R1.166 CCCNC(=O)C(=O)N1CCCC1 240690a_100000188435_200011297150 [1,0,0,1,0,0|2,0,0]=4 1437 B13R1.166 CCCNC(=O)C(=O)N1CCCC1 527a_100000188435_200011297150 [1,0,0,1,0,0|2,0,0]=4 1438 B13R1.3137 CCCCCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210326 [1,0,0,1,0,0|2,0,0]=4 1439 B13R1.3137 CCCCNC(=O)C(=O)NC1CC1 1626a_100000102301_100000756273 [1,0,0,1,0,0|2,0,0]=4 1440 B13R1.3137 CCCCNC(=O)C(=O)NC1CC1 240690a_100000102301_100000756273 [1,0,0,1,0,0|2,0,0]=4 1441 B13R1.3137 CCCCOC(=O)C(C)OC1CC1 34a_100000038973_100000211595 [1,0,0,1,0,0|1,0,1]=4 1442 B13R1.3554 CCCNC(=O)C(=O)CC1CCC1 1458a_200011297150_100000763275 [1,0,0,1,0,0|2,0,0]=4 1443 B13R1.3554 CCCNC(=O)C(=O)NC1CCC1 1626a_100000749019_200011297150 [1,0,0,1,0,0|2,0,0]=4 1444 B13R1.3554 CCCNC(=O)C(=O)NC1CCC1 240690a_100000749019_200011297150 [1,0,0,1,0,0|2,0,0]=4 1445 B13R1.3554 CCCNC(=O)C(=O)NC1CCC1 527a_100000749019_200011297150 [1,0,0,1,0,0|2,0,0]=4 1446 B13R1.3554 CCCOC(=O)C(C)OC1CCC1 34a_100000037348_100000749161 [1,0,0,1,0,0|1,0,1]=4 1447 B13R1.3554 CCCOC(=O)C(C)OC1CCC1 34a_100000748187_100000760410 [1,0,0,1,0,0|1,0,1]=4 1448 B13R1.3555 CCCNC(=O)C(=O)CCC1CC1 1458a_200011297150_100000694398 [1,0,0,1,0,0|2,0,0]=4 1449 B13R1.3555 CCCNC(=O)C(=O)NCC1CC1 1626a_100000735609_200011297150 [1,0,0,1,0,0|2,0,0]=4 1450 B13R1.3555 CCCNC(=O)C(=O)NCC1CC1 240690a_100000735609_200011297150 [1,0,0,1,0,0|2,0,0]=4 1451 B13R1.3555 CCCNC(=O)C(=O)NCC1CC1 527a_100000735609_200011297150 [1,0,0,1,0,0|2,0,0]=4 1452 B13R1.3555 CCCOC(=O)C(C)OCC1CC1 34a_100000037348_100000742324 [1,0,0,1,0,0|1,0,1]=4 1453 B13R1.3555 CCCOC(=O)C(C)OCC1CC1 34a_100000211283_100000760410 [1,0,0,1,0,0|1,0,1]=4 1454 B13R1.3555 CCCOC(=O)C(C)OCC1CC1 7a_100000037348_100000742324 [1,0,0,1,0,0|1,0,1]=4 1455 B13R1.3556 CCCNC(=O)C(=O)N1CCC1C 240690a_100000755817_200011297150 [1,0,0,1,0,0|2,0,0]=4 1456 B13R1.3556 CCCNC(=O)C(=O)N1CCC1C 527a_100000755817_200011297150 [1,0,0,1,0,0|2,0,0]=4 1457 B15R1.51 CCCCCC(=O)CC(=O)C1CCCC1 1458a_100000210718_200012276598 [0,0,0,1,0,1|2,0,0]=4 1458 B15R1.51 CCCCCC(=O)CC(=O)N1CCCC1 1458a_100000212188_100000183516 [0,0,0,1,0,1|2,0,0]=4 1459 B15R1.51 CCCCNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000182744 [0,0,0,1,0,1|2,0,0]=4 1460 B15R1.51 CCCCOC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000211628 [0,0,0,1,0,1|1,0,1]=4 1461 B15R1.51 CCCCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000211628 [0,0,0,1,0,1|1,0,0]=3 1462 B15R1.51 CCCCOC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000211628 [0,0,0,1,0,1|2,0,0]=4 1463 B15R1.51 CCCCOC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000211628 [0,0,0,1,0,1|2,0,0]=4 1464 B15R1.51 CCCCOC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000211628 [0,0,0,1,0,1|2,0,0]=4 1465 B15R1.51 COCCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_200000040189 [0,0,0,1,0,1|2,0,0]=4 1466 B15R1.1401 CCCCCC(=O)C1CCCCCC1=O 1458a_100000212188_100000243696 [0,0,0,1,0,1|2,0,0]=4 1467 B15R1.1401 CCCCCC(=O)C1CCCCNC1=O 1458a_100000212188_100000735217 [0,0,0,1,0,1|2,0,0]=4 1468 B15R1.4144 CCC1CC1C(=O)CC(=O)OCCOC 1458a_200011661523_200000040189 [0,0,0,1,0,1|2,0,0]=4 1469 B15R1.4144 CCCCCC(=O)CC(=O)C1CC1CC 1458a_200011661523_200012276598 [0,0,0,1,0,1|2,0,0]=4 1470 B15R1.4144 CCCCNC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000182744 [0,0,0,1,0,1|2,0,0]=4 1471 B15R1.4144 CCCCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000211628 [0,0,0,1,0,1|1,0,0]=3 1472 B15R1.4146 CCCCCC(=O)CC(=O)CC1CCC1 1458a_100000763092_200012276598 [0,0,0,1,0,1|2,0,0]=4 1473 B15R1.4146 CCCCNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000182744 [0,0,0,1,0,1|2,0,0]=4 1474 B15R1.4146 CCCCOC(=O)CC(=O)C=C1CCC1 1458a_100000686340_100000211628 [0,0,0,1,0,1|1,0,1]=4 1475 B15R1.4146 CCCCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000211628 [0,0,0,1,0,1|1,0,0]=3 1476 B15R1.4146 CCCCOC(=O)CC(=O)CC1COC1 1458a_100000687760_100000211628 [0,0,0,1,0,1|2,0,0]=4 1477 B15R1.4146 COCCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_200000040189 [0,0,0,1,0,1|2,0,0]=4 1478 B15R1.4147 CCCCCC(=O)CC(=O)CCC1CC1 1458a_100000756386_200012276598 [0,0,0,1,0,1|2,0,0]=4 1479 B15R1.4147 CCCCNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000182744 [0,0,0,1,0,1|2,0,0]=4 1480 B15R1.4147 CCCCOC(=O)CC(=O)C=CC1CC1 1458a_100102529529_100000211628 [0,0,0,1,0,1|1,0,1]=4 1481 B15R1.4147 CCCCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000211628 [0,0,0,1,0,1|1,0,0]=3 1482 B15R1.4147 COCCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_200000040189 [0,0,0,1,0,1|2,0,0]=4 1483 B15R1.9055 CC(C)CCOC(=O)C(C)OC1CCC1 34a_200000034679_100000749161 [0,1,0,1,0,0|1,0,1]=4 1484 B15R1.9056 CC(C)CCOC(=O)C(C)OCC1CC1 34a_200000034679_100000742324 [0,1,0,1,0,0|1,0,1]=4 1485 B15R1.9056 CC(C)CCOC(=O)C(C)OCC1CC1 7a_200000034679_100000742324 [0,1,0,1,0,0|1,0,1]=4 1486 B15R1.11884 CCCCOC(=O)C(C)OCC1CC1C 34a_100000744939_100000759602 [0,1,0,1,0,0|1,0,1]=4 1487 B15R1.11884 CCCCOC(=O)C(C)OCC1CC1C 7a_100000744939_100000759602 [0,1,0,1,0,0|1,0,1]=4 1488 B15R1.11886 CCCCOC(=O)C(C)OCCC1CC1 34a_100000038973_100000694398 [0,1,0,1,0,0|1,0,1]=4 1489 B15R1.11886 CCCCOC(=O)C(C)OCCC1CC1 34a_100000754188_100000759602 [0,1,0,1,0,0|1,0,1]=4 1490 B15R1.11886 CCCCOC(=O)C(C)OCCC1CC1 7a_100000038973_100000764125 [0,1,0,1,0,0|1,0,1]=4 1491 B15R1.11886 CCCCOC(=O)C(C)OCCC1CC1 7a_100000754188_100000759602 [0,1,0,1,0,0|1,0,1]=4 1492 B15R1.11886 CCCCOC(=O)C(C)OCCC1CO1 34a_100000038973_100000732470 [0,1,0,1,0,0|1,0,1]=4 1493 B15R1.11886 CCCCOC(=O)C(C)OCCC1CO1 7a_100000038973_100000732470 [0,1,0,1,0,0|1,0,1]=4 1494 B15R1.11886 CCCCOC(=O)C(C)OCC[C@@H]1CO1 34a_100009820653_100000759602 [0,1,0,1,0,0|1,0,1]=4 1495 B15R1.3285 CCCCOC(=O)[C@H](CC)OC1CCC1 34a_100020628826_100000749161 [0,1,0,1,0,0|1,0,1]=4 1496 B15R1.3286 CCCCOC(=O)[C@H](CC)OCC1CC1 34a_100020628826_100000742324 [0,1,0,1,0,0|1,0,1]=4 1497 B15R1.3286 CCCCOC(=O)[C@H](CC)OCC1CC1 7a_100020628826_100000742324 [0,1,0,1,0,0|1,0,1]=4 1498 B15R1.3394 CCCCOC(=O)C(C)OCC1(CC1)C 7a_100000698024_100000759602 [0,1,0,1,0,0|1,0,1]=4 1499 B15R1.3394 CCCCOC(=O)C(C)OCC1(CC1)F 34a_200000703853_100000759602 [0,1,0,1,0,0|1,0,1]=4 1500 B15R1.3394 CCCCOC(=O)C(C)OCC1(CC1)F 7a_200000703853_100000759602 [0,1,0,1,0,0|1,0,1]=4 1501 B15R1.11885 CCCCOC(=O)C(C)OCC1CCC1 34a_100000038973_100000763275 [0,1,0,1,0,0|1,0,1]=4 1502 B15R1.11885 CCCCOC(=O)C(C)OCC1CCC1 34a_100000760304_100000759602 [0,1,0,1,0,0|1,0,1]=4 1503 B15R1.11885 CCCCOC(=O)C(C)OCC1CCC1 7a_100000038973_100000763275 [0,1,0,1,0,0|1,0,1]=4 1504 B15R1.11885 CCCCOC(=O)C(C)OCC1CCO1 34a_100000038973_100000103362 [0,1,0,1,0,0|1,0,1]=4 1505 B15R1.11885 CCCCOC(=O)C(C)OCC1CCO1 34a_100000039022_100000759602 [0,1,0,1,0,0|1,0,1]=4 1506 B15R1.11885 CCCCOC(=O)C(C)OCC1CCO1 7a_100000038973_100000103362 [0,1,0,1,0,0|1,0,1]=4 1507 B15R1.11885 CCCCOC(=O)C(C)OCC1CNC1 34a_100016987283_100000759602 [0,1,0,1,0,0|1,0,1]=4 1508 B15R1.11885 CCCCOC(=O)C(C)OCC1COC1 34a_100000038973_100010264016 [0,1,0,1,0,0|1,0,1]=4 1509 B15R1.11885 CCCCOC(=O)C(C)OCC1COC1 34a_100000060846_100000759602 [0,1,0,1,0,0|1,0,1]=4 1510 B15R1.11885 CCCCOC(=O)C(C)OCC1COC1 7a_100000038973_100010264016 [0,1,0,1,0,0|1,0,1]=4 1511 B15R1.93 CCCCCC(=O)C(=O)N1CCCCC1 1458a_200011297168_100000210326 [0,1,0,1,0,0|2,0,0]=4 1512 B15R1.93 CCCCNC(=O)C(=O)N1CCCCC1 1626a_100000102301_200011297168 [0,1,0,1,0,0|2,0,0]=4 1513 B15R1.93 CCCCNC(=O)C(=O)N1CCCCC1 240690a_100000102301_200011297168 [0,1,0,1,0,0|2,0,0]=4 1514 B15R1.93 CCCCNC(=O)C(=O)N1CCCCC1 527a_100000102301_200011297168 [0,1,0,1,0,0|2,0,0]=4 1515 B15R1.1021 CCCCOC(=O)C(C)OC1CCCC1 34a_100000038973_100000179811 [0,1,0,1,0,0|1,0,1]=4 1516 B15R1.1021 CCCCOC(=O)C(C)OC1CCCC1 34a_100000210269_100000759602 [0,1,0,1,0,0|1,0,1]=4 1517 B15R1.1021 CCCCOC(=O)C(C)OC1CCCC1 7a_100000038973_100000179811 [0,1,0,1,0,0|1,0,1]=4 1518 B15R1.1021 CCCCOC(=O)C(C)OC1CCCC1 7a_100000210269_100000759602 [0,1,0,1,0,0|1,0,1]=4 1519 B15R1.1021 CCCCOC(=O)C(C)OC1CCCO1 34a_100000085407_100000759602 [0,1,0,1,0,0|1,0,1]=4 1520 B15R1.1021 CCCCOC(=O)C(C)OC1CCOC1 34a_100000038973_100000690089 [0,1,0,1,0,0|1,0,1]=4 1521 B15R1.1021 CCCCOC(=O)C(C)OC1CCOC1 7a_100000038973_100000731011 [0,1,0,1,0,0|1,0,1]=4 1522 B15R1.1021 CCCCOC(=O)C(C)OC1CCSC1 7a_100011232664_100000759602 [0,1,0,1,0,0|1,0,1]=4 1523 B15R1.1021 CCCCOC(=O)C(C)O[C@H]1CCOC1 34a_100000717292_100000759602 [0,1,0,1,0,0|1,0,1]=4 1524 B15R1.3290 CCCCOC(=O)C(C)OC(C)C1CC1 34a_100000744524_100000759602 [0,1,0,1,0,0|1,0,1]=4 1525 B15R1.3290 CCCCOC(=O)C(C)OC(C)C1CC1 7a_100000744524_100000759602 [0,1,0,1,0,0|1,0,1]=4 1526 B15R1.19848 CCCCOC(=O)C(C)OC1(CCC1)C 34a_100000759064_100000759602 [0,1,0,1,0,0|1,0,1]=4 1527 B15R1.19848 CCCCOC(=O)C(C)OC1(CCC1)C 7a_100000759064_100000759602 [0,1,0,1,0,0|1,0,1]=4 1528 B15R0.2207 CCCCCC(=O)NNC(=O)CCCCC 22a_100000189784_100000212188 [0,0,0,0,0,2|2,0,0]=4 1529 B15R0.2207 CCCCCC(=O)NNC(=O)NCCCC 273464a_100000102301_100000189784 [0,0,0,0,0,2|2,0,0]=4 1530 B15R0.2207 CCCCCC(=O)NNC(=O)NCCCC 512a_100000102301_100000189784 [0,0,0,0,0,2|2,0,0]=4 1531 B15R0.2207 CCCCCC(=O)NNC(=O)NCCCC 512a_100000189784_100000102301 [0,0,0,0,0,2|2,0,0]=4 1532 B15R0.2207 CCCCNC(=O)C=CC(=O)OCCCC 1626a_100000102301_100015195251 [0,0,0,0,0,2|1,0,0]=3 1533 B15R0.2207 CCCCNC(=O)C=CC(=O)OCCCC 240690a_100000102301_100015195251 [0,0,0,0,0,2|1,0,0]=3 1534 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCCF 1626a_100015189416_100015195251 [0,0,0,0,0,2|2,0,0]=4 1535 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCCF 240690a_100015189416_100015195251 [0,0,0,0,0,2|2,0,0]=4 1536 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCCO 240690a_100000182051_100015195251 [0,0,0,0,0,2|2,0,0]=4 1537 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCOC 1626a_100000209980_100015195251 [0,0,0,0,0,2|2,0,0]=4 1538 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCOC 240690a_100000209980_100015195251 [0,0,0,0,0,2|2,0,0]=4 1539 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCSC 1626a_100020590264_100015195251 [0,0,0,0,0,2|2,0,0]=4 1540 B15R0.2207 CCCCOC(=O)C=CC(=O)NCCSC 240690a_100020590264_100015195251 [0,0,0,0,0,2|2,0,0]=4 1541 B15R0.2207 CCCCOC(=O)C=CC(=O)NNCCC 22a_100000740057_100015195251 [0,0,0,0,0,2|2,0,0]=4