0 B11R0.46 C#CCCCC(=O)CCC(=C)C 1458a_100000690238_100000730704 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.46 C#CCCCC(=O)CCC(=C)C 1458a_200000688413_100000731252 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.46 C#CCCCC(=O)CCC(=O)N 1458a_100011215257_100000731252 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.46 C#CCCCC(=O)CNC(=O)C 1458a_100000194580_100000731252 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.46 C#CCCCC(=O)COC(=O)C 1458a_100000183556_100000731252 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.46 C#CCCCC(=O)CSC(=O)C 1458a_100000049016_100000731252 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.46 C#CCCNC(=O)CCC(=C)C 11a_100000755551_200000688413 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.46 C#CCCNC(=O)CCC(=C)C 1626a_100000755551_200000688413 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.46 C#CCCNC(=O)CCC(=C)C 240690a_100000755551_200000688413 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.46 C#CCCNC(=O)CCC(=C)C 527a_100000755551_200000688413 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.46 C#CCCNC(=O)CCC(=O)N 240690a_100000755551_100011215257 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.46 C#CCCNC(=O)CCC(=O)N 527a_100000755551_100011215257 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.46 C#CCCNC(=O)CNC(=O)C 11a_100000755551_100000194580 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.46 C#CCCNC(=O)CNC(=O)C 1626a_100000755551_100000194580 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.46 C#CCCNC(=O)CNC(=O)C 240690a_100000755551_100000194580 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.46 C#CCCNC(=O)CNC(=O)C 527a_100000755551_100000194580 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.46 C#CCCNC(=O)COC(=O)C 1626a_100000755551_100000183556 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.46 C#CCCNC(=O)COC(=O)C 240690a_100000755551_100000183556 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.46 C#CCCNC(=O)COC(=O)C 527a_100000755551_100000183556 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.46 C#CCCNC(=O)CSC(=O)C 11a_100000755551_100000049016 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.46 C#CCCNC(=O)CSC(=O)C 1626a_100000755551_100000049016 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.46 C#CCCNC(=O)CSC(=O)C 240690a_100000755551_100000049016 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.46 C=C(C)CCC(=O)C#CCCC 1458a_200011218047_100000730704 [0,0,0,0,0,0|2,0,1]=3 23 B11R0.46 C=C(C)CCC(=O)C/C=C/CC 1458a_100016274230_100000730704 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.46 C=C(C)CCC(=O)C/C=C\CC 1458a_200000688413_100103147603 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.46 C=C(C)CCC(=O)C=CCCC 1458a_100000212230_100000730704 [0,0,0,0,0,0|2,0,1]=3 26 B11R0.46 C=C(C)CCC(=O)C=CCOC 1458a_100016285016_100000730704 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.46 C=C(C)CCC(=O)C=COCC 1458a_100016266692_100000730704 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.46 C=C(C)CCC(=O)CC#CCC 1458a_200000688413_100009813939 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.46 C=C(C)CCC(=O)CCCC#N 1458a_100000075515_100000730704 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.46 C=C(C)CCC(=O)CCCC#N 1458a_200000688413_100000211468 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,0,0,0,0,0|2,0,0]=2 32 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,0,0,0,0,0|2,0,0]=2 33 B11R0.46 C=C(C)CCC(=O)CCCCF 1458a_200000688413_100000729493 [0,0,0,0,0,0|3,0,0]=3 34 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [0,0,0,0,0,0|3,0,0]=3 35 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [0,0,0,0,0,0|3,0,0]=3 36 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_100000741012_100000730704 [0,0,0,0,0,0|3,0,0]=3 37 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_200000688413_100000740836 [0,0,0,0,0,0|3,0,0]=3 38 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [0,0,0,0,0,0|3,0,0]=3 39 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [0,0,0,0,0,0|3,0,0]=3 40 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [0,0,0,0,0,0|3,0,0]=3 41 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_100000230768_100000730704 [0,0,0,0,0,0|3,0,0]=3 42 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_200000688413_100000757381 [0,0,0,0,0,0|3,0,0]=3 43 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [0,0,0,0,0,0|3,0,0]=3 44 B11R0.46 C=C(C)CCC(=O)COCCO 1458a_100000708028_100000730704 [0,0,0,0,0,0|4,0,0]=4 45 B11R0.46 C=C(C)CCC(=O)CSCCC 1458a_100000217233_100000730704 [0,0,0,0,0,0|3,0,0]=3 46 B11R0.46 C=C(C)CCC(=O)NCC#CC 11a_100000685387_200000688413 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.46 C=C(C)CCC(=O)NCC#CC 1626a_100000685387_200000688413 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.46 C=C(C)CCC(=O)NCC#CC 527a_100000685387_200000688413 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.46 C=C(C)CCC(=O)NCCC#N 11a_100000720768_200000688413 [0,0,0,0,0,0|3,0,1]=4 50 B11R0.46 C=C(C)CCC(=O)NCCC#N 1626a_100000720768_200000688413 [0,0,0,0,0,0|3,0,1]=4 51 B11R0.46 C=C(C)CCC(=O)NCCC#N 240690a_100000720768_200000688413 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.46 C=C(C)CCC(=O)NCCC#N 527a_100000720768_200000688413 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [0,0,0,0,0,0|2,0,0]=2 54 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [0,0,0,0,0,0|2,0,0]=2 55 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [0,0,0,0,0,0|2,0,0]=2 56 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [0,0,0,0,0,0|2,0,0]=2 57 B11R0.46 C=C(C)CCC(=O)NCCCF 11a_100015189416_200000688413 [0,0,0,0,0,0|3,0,0]=3 58 B11R0.46 C=C(C)CCC(=O)NCCCF 1626a_100015189416_200000688413 [0,0,0,0,0,0|3,0,0]=3 59 B11R0.46 C=C(C)CCC(=O)NCCCF 240690a_100015189416_200000688413 [0,0,0,0,0,0|3,0,0]=3 60 B11R0.46 C=C(C)CCC(=O)NCCCF 527a_100015189416_200000688413 [0,0,0,0,0,0|3,0,0]=3 61 B11R0.46 C=C(C)CCC(=O)NCCCO 240690a_100000182051_200000688413 [0,0,0,0,0,0|3,0,0]=3 62 B11R0.46 C=C(C)CCC(=O)NCCCO 527a_100000182051_200000688413 [0,0,0,0,0,0|3,0,0]=3 63 B11R0.46 C=C(C)CCC(=O)NCCOC 1626a_100000209980_200000688413 [0,0,0,0,0,0|3,0,0]=3 64 B11R0.46 C=C(C)CCC(=O)NCCOC 240690a_100000209980_200000688413 [0,0,0,0,0,0|3,0,0]=3 65 B11R0.46 C=C(C)CCC(=O)NCCOC 527a_100000209980_200000688413 [0,0,0,0,0,0|3,0,0]=3 66 B11R0.46 C=C(C)CCC(=O)NCCSC 11a_100020590264_200000688413 [0,0,0,0,0,0|3,0,0]=3 67 B11R0.46 C=C(C)CCC(=O)NCCSC 1626a_100020590264_200000688413 [0,0,0,0,0,0|3,0,0]=3 68 B11R0.46 C=C(C)CCC(=O)NCCSC 240690a_100020590264_200000688413 [0,0,0,0,0,0|3,0,0]=3 69 B11R0.46 C=C(C)CCC(=O)NCCSC 527a_100020590264_200000688413 [0,0,0,0,0,0|3,0,0]=3 70 B11R0.46 C=C(C)CCC(=O)NNCCC 22a_100000740057_200000688413 [0,0,0,0,0,0|3,0,0]=3 71 B11R0.46 C=C(C)CCC(=O)NNCCO 22a_100000210001_200000688413 [0,0,0,0,0,0|4,0,0]=4 72 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [0,0,0,0,0,0|4,0,0]=4 74 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [0,0,0,0,0,0|4,0,0]=4 75 B11R0.46 C=C(C)CNC(=O)C#CCCC 240690a_100000765925_200011218047 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.46 C=C(C)CNC(=O)C=CCCC 11a_100000765925_100000212230 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.46 C=C(C)CNC(=O)C=CCCC 1626a_100000765925_100000212230 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.46 C=C(C)CNC(=O)C=CCCC 240690a_100000765925_100000212230 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [0,0,0,0,0,0|3,0,0]=3 80 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [0,0,0,0,0,0|3,0,0]=3 81 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [0,0,0,0,0,0|3,0,0]=3 82 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [0,0,0,0,0,0|3,0,0]=3 83 B11R0.46 C=C(C)CNC(=O)CCCCO 1626a_100000765925_100000695505 [0,0,0,0,0,0|4,0,0]=4 84 B11R0.46 C=C(C)CNC(=O)CCCOC 11a_100000765925_100000741012 [0,0,0,0,0,0|4,0,0]=4 85 B11R0.46 C=C(C)CNC(=O)CCCOC 1626a_100000765925_100000741012 [0,0,0,0,0,0|4,0,0]=4 86 B11R0.46 C=C(C)CNC(=O)CCCOC 240690a_100000765925_100000741012 [0,0,0,0,0,0|4,0,0]=4 87 B11R0.46 C=C(C)CNC(=O)CCCOC 527a_100000765925_100000741012 [0,0,0,0,0,0|4,0,0]=4 88 B11R0.46 C=C(C)CNC(=O)CCCSC 11a_100000765925_100000173376 [0,0,0,0,0,0|4,0,0]=4 89 B11R0.46 C=C(C)CNC(=O)CCCSC 1626a_100000765925_100000173376 [0,0,0,0,0,0|4,0,0]=4 90 B11R0.46 C=C(C)CNC(=O)CCCSC 240690a_100000765925_100000173376 [0,0,0,0,0,0|4,0,0]=4 91 B11R0.46 C=C(C)CNC(=O)CCCSC 527a_100000765925_100000173376 [0,0,0,0,0,0|4,0,0]=4 92 B11R0.46 C=C(C)CNC(=O)CCOCC 11a_100000765925_100000749530 [0,0,0,0,0,0|4,0,0]=4 93 B11R0.46 C=C(C)CNC(=O)CCOCC 1626a_100000765925_100000749530 [0,0,0,0,0,0|4,0,0]=4 94 B11R0.46 C=C(C)CNC(=O)CCOCC 240690a_100000765925_100000749530 [0,0,0,0,0,0|4,0,0]=4 95 B11R0.46 C=C(C)CNC(=O)CCOCC 527a_100000765925_100000749530 [0,0,0,0,0,0|4,0,0]=4 96 B11R0.46 C=C(C)CNC(=O)CCSCC 11a_100000765925_100000230768 [0,0,0,0,0,0|4,0,0]=4 97 B11R0.46 C=C(C)CNC(=O)CCSCC 1626a_100000765925_100000230768 [0,0,0,0,0,0|4,0,0]=4 98 B11R0.46 C=C(C)CNC(=O)CCSCC 240690a_100000765925_100000230768 [0,0,0,0,0,0|4,0,0]=4 99 B11R0.46 C=C(C)CNC(=O)CCSCC 527a_100000765925_100000230768 [0,0,0,0,0,0|4,0,0]=4 100 B11R0.46 C=C(C)CNC(=O)COCCC 11a_100000765925_100000745993 [0,0,0,0,0,0|4,0,0]=4 101 B11R0.46 C=C(C)CNC(=O)COCCC 1626a_100000765925_100000745993 [0,0,0,0,0,0|4,0,0]=4 102 B11R0.46 C=C(C)CNC(=O)COCCC 240690a_100000765925_100000745993 [0,0,0,0,0,0|4,0,0]=4 103 B11R0.46 C=C(C)CNC(=O)COCCC 527a_100000765925_100000745993 [0,0,0,0,0,0|4,0,0]=4 104 B11R0.46 C=C(C)CNC(=O)CSCCC 11a_100000765925_100000217233 [0,0,0,0,0,0|4,0,0]=4 105 B11R0.46 C=C(C)CNC(=O)CSCCC 1626a_100000765925_100000217233 [0,0,0,0,0,0|4,0,0]=4 106 B11R0.46 C=C(C)CNC(=O)CSCCC 240690a_100000765925_100000217233 [0,0,0,0,0,0|4,0,0]=4 107 B11R0.46 C=C(C)CNC(=O)CSCCC 527a_100000765925_100000217233 [0,0,0,0,0,0|4,0,0]=4 108 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000102301_100000765925 [0,0,0,0,0,0|3,0,0]=3 109 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000765925_100000102301 [0,0,0,0,0,0|3,0,0]=3 110 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000102301_100000765925 [0,0,0,0,0,0|3,0,0]=3 111 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000765925_100000102301 [0,0,0,0,0,0|3,0,0]=3 112 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000102301_100000765925 [0,0,0,0,0,0|3,0,0]=3 113 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000765925_100000102301 [0,0,0,0,0,0|3,0,0]=3 114 B11R0.46 C=C(C)CNC(=O)NCCCF 2708a_100000765925_100015189416 [0,0,0,0,0,0|4,0,0]=4 115 B11R0.46 C=C(C)CNC(=O)NCCCF 2708a_100015189416_100000765925 [0,0,0,0,0,0|4,0,0]=4 116 B11R0.46 C=C(C)CNC(=O)NCCCF 273464a_100000765925_100015189416 [0,0,0,0,0,0|4,0,0]=4 117 B11R0.46 C=C(C)CNC(=O)NCCCF 273464a_100015189416_100000765925 [0,0,0,0,0,0|4,0,0]=4 118 B11R0.46 C=C(C)CNC(=O)NCCCF 512a_100000765925_100015189416 [0,0,0,0,0,0|4,0,0]=4 119 B11R0.46 C=C(C)CNC(=O)NCCCF 512a_100015189416_100000765925 [0,0,0,0,0,0|4,0,0]=4 120 B11R0.46 C=C(C)CNC(=O)NCCCO 2708a_100000765925_100000182051 [0,0,0,0,0,0|4,0,0]=4 121 B11R0.46 C=C(C)CNC(=O)NCCCO 273464a_100000182051_100000765925 [0,0,0,0,0,0|4,0,0]=4 122 B11R0.46 C=C(C)CNC(=O)NCCCO 273464a_100000765925_100000182051 [0,0,0,0,0,0|4,0,0]=4 123 B11R0.46 C=C(C)CNC(=O)NCCCO 512a_100000765925_100000182051 [0,0,0,0,0,0|4,0,0]=4 124 B11R0.46 C=C(C)CNC(=O)NCCOC 2708a_100000765925_100000209980 [0,0,0,0,0,0|4,0,0]=4 125 B11R0.46 C=C(C)CNC(=O)NCCOC 273464a_100000209980_100000765925 [0,0,0,0,0,0|4,0,0]=4 126 B11R0.46 C=C(C)CNC(=O)NCCOC 273464a_100000765925_100000209980 [0,0,0,0,0,0|4,0,0]=4 127 B11R0.46 C=C(C)CNC(=O)NCCSC 2708a_100000765925_100020590264 [0,0,0,0,0,0|4,0,0]=4 128 B11R0.46 C=C(C)CNC(=O)NCCSC 2708a_100020590264_100000765925 [0,0,0,0,0,0|4,0,0]=4 129 B11R0.46 C=C(C)CNC(=O)NCCSC 273464a_100000765925_100020590264 [0,0,0,0,0,0|4,0,0]=4 130 B11R0.46 C=C(C)CNC(=O)NCCSC 273464a_100020590264_100000765925 [0,0,0,0,0,0|4,0,0]=4 131 B11R0.46 C=C(C)CNC(=O)NCCSC 512a_100000765925_100020590264 [0,0,0,0,0,0|4,0,0]=4 132 B11R0.46 C=C(C)CNC(=O)NCCSC 512a_100020590264_100000765925 [0,0,0,0,0,0|4,0,0]=4 133 B11R0.46 C=C(C)CNC(=O)NNCCC 273464a_100000765925_100000740057 [0,0,0,0,0,0|4,0,0]=4 134 B11R0.46 C=C(C)CNC(=O)NNCCC 512a_100000740057_100000765925 [0,0,0,0,0,0|4,0,0]=4 135 B11R0.46 C=C(C)CNC(=O)NNCCC 512a_100000765925_100000740057 [0,0,0,0,0,0|4,0,0]=4 136 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_100000766728_100000730704 [0,0,0,0,0,0|2,0,2]=4 137 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_200000688413_100000757094 [0,0,0,0,0,0|2,0,2]=4 138 B11R0.46 C=CCCCC(=O)CCC(=O)N 1458a_100011215257_100000757094 [0,0,0,0,0,0|2,0,2]=4 139 B11R0.46 C=CCCCC(=O)CNC(=O)C 1458a_100000194580_100000757094 [0,0,0,0,0,0|2,0,2]=4 140 B11R0.46 C=CCCCC(=O)COC(=O)C 1458a_100000183556_100000757094 [0,0,0,0,0,0|2,0,2]=4 141 B11R0.46 C=CCCCC(=O)CSC(=O)C 1458a_100000049016_100000757094 [0,0,0,0,0,0|2,0,2]=4 142 B11R0.46 C=CCCNC(=O)CCC(=C)C 11a_100015191253_200000688413 [0,0,0,0,0,0|2,0,2]=4 143 B11R0.46 C=CCCNC(=O)CCC(=C)C 1626a_100015191253_200000688413 [0,0,0,0,0,0|2,0,2]=4 144 B11R0.46 C=CCCNC(=O)CCC(=C)C 240690a_100015191253_200000688413 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.46 C=CCCNC(=O)CCC(=C)C 527a_100015191253_200000688413 [0,0,0,0,0,0|2,0,2]=4 146 B11R0.46 C=CCCNC(=O)CCC(=O)N 240690a_100015191253_100011215257 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.46 C=CCCNC(=O)CCC(=O)N 527a_100015191253_100011215257 [0,0,0,0,0,0|2,0,2]=4 148 B11R0.46 C=CCCNC(=O)CNC(=O)C 11a_100015191253_100000194580 [0,0,0,0,0,0|2,0,2]=4 149 B11R0.46 C=CCCNC(=O)CNC(=O)C 1626a_100015191253_100000194580 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.46 C=CCCNC(=O)CNC(=O)C 240690a_100015191253_100000194580 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.46 C=CCCNC(=O)CNC(=O)C 527a_100015191253_100000194580 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.46 C=CCCNC(=O)COC(=O)C 1626a_100015191253_100000183556 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.46 C=CCCNC(=O)COC(=O)C 240690a_100015191253_100000183556 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.46 C=CCCNC(=O)COC(=O)C 527a_100015191253_100000183556 [0,0,0,0,0,0|2,0,2]=4 155 B11R0.46 C=CCCNC(=O)CSC(=O)C 11a_100015191253_100000049016 [0,0,0,0,0,0|2,0,2]=4 156 B11R0.46 C=CCCNC(=O)CSC(=O)C 1626a_100015191253_100000049016 [0,0,0,0,0,0|2,0,2]=4 157 B11R0.46 C=CCCNC(=O)CSC(=O)C 240690a_100015191253_100000049016 [0,0,0,0,0,0|2,0,2]=4 158 B11R0.46 CC#CCNC(=O)CCC(=O)N 527a_100000685387_100011215257 [0,0,0,0,0,0|2,0,2]=4 159 B11R0.46 CC#CCNC(=O)CNC(=O)C 11a_100000685387_100000194580 [0,0,0,0,0,0|2,0,2]=4 160 B11R0.46 CC#CCNC(=O)CNC(=O)C 1626a_100000685387_100000194580 [0,0,0,0,0,0|2,0,2]=4 161 B11R0.46 CC#CCNC(=O)CNC(=O)C 527a_100000685387_100000194580 [0,0,0,0,0,0|2,0,2]=4 162 B11R0.46 CC#CCNC(=O)COC(=O)C 1626a_100000685387_100000183556 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.46 CC#CCNC(=O)COC(=O)C 527a_100000685387_100000183556 [0,0,0,0,0,0|2,0,2]=4 164 B11R0.46 CC#CCNC(=O)CSC(=O)C 11a_100000685387_100000049016 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.46 CC#CCNC(=O)CSC(=O)C 1626a_100000685387_100000049016 [0,0,0,0,0,0|2,0,2]=4 166 B11R0.46 CC(=CCC(=O)CCCCF)C 1458a_100011220947_100000729493 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.46 CC(=CCC(=O)CCCCO)C 1458a_100000695505_100000761012 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.46 CC(=CCC(=O)CCCCO)C 1458a_100011220947_100000210776 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.46 CC(=CCC(=O)NCCCF)C 11a_100015189416_100011220947 [0,0,0,0,0,0|3,0,1]=4 170 B11R0.46 CC(=CCC(=O)NCCCF)C 1626a_100015189416_100011220947 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.46 CC(=CCC(=O)NCCCF)C 240690a_100015189416_100011220947 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.46 CC(=CCC(=O)NCCCF)C 527a_100015189416_100011220947 [0,0,0,0,0,0|3,0,1]=4 173 B11R0.46 CC(=CCC(=O)NCCCO)C 240690a_100000182051_100011220947 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.46 CC(=CCC(=O)NCCCO)C 527a_100000182051_100011220947 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.46 CC(=O)CCC(=O)OCCC#N 1458a_200009922858_200000210301 [0,0,0,0,0,0|1,0,1]=2 176 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [0,0,0,0,0,0|4,0,0]=4 177 B11R0.46 CC(=O)NCC(=O)CCCC#N 1458a_100000194580_100000211468 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.46 CC(=O)NCC(=O)CCCCF 1458a_100000194580_100000729493 [0,0,0,0,0,0|3,0,0]=3 179 B11R0.46 CC(=O)NCC(=O)CCCCO 1458a_100000194580_100000210776 [0,0,0,0,0,0|3,0,0]=3 180 B11R0.46 CC(=O)NCC(=O)NCCC#N 11a_100000720768_100000194580 [0,0,0,0,0,0|3,0,1]=4 181 B11R0.46 CC(=O)NCC(=O)NCCC#N 1626a_100000720768_100000194580 [0,0,0,0,0,0|3,0,1]=4 182 B11R0.46 CC(=O)NCC(=O)NCCC#N 240690a_100000720768_100000194580 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.46 CC(=O)NCC(=O)NCCC#N 527a_100000720768_100000194580 [0,0,0,0,0,0|3,0,1]=4 184 B11R0.46 CC(=O)NCC(=O)NCCCF 11a_100015189416_100000194580 [0,0,0,0,0,0|3,0,0]=3 185 B11R0.46 CC(=O)NCC(=O)NCCCF 1626a_100015189416_100000194580 [0,0,0,0,0,0|3,0,0]=3 186 B11R0.46 CC(=O)NCC(=O)NCCCF 240690a_100015189416_100000194580 [0,0,0,0,0,0|3,0,0]=3 187 B11R0.46 CC(=O)NCC(=O)NCCCF 527a_100015189416_100000194580 [0,0,0,0,0,0|3,0,0]=3 188 B11R0.46 CC(=O)NCC(=O)NCCCO 240690a_100000182051_100000194580 [0,0,0,0,0,0|3,0,0]=3 189 B11R0.46 CC(=O)NCC(=O)NCCCO 527a_100000182051_100000194580 [0,0,0,0,0,0|3,0,0]=3 190 B11R0.46 CC(=O)NCC(=O)NNCCO 22a_100000210001_100000194580 [0,0,0,0,0,0|4,0,0]=4 191 B11R0.46 CC(=O)NNC(=O)NCCCF 273464a_100015189416_100000189765 [0,0,0,0,0,0|4,0,0]=4 192 B11R0.46 CC(=O)NNC(=O)NCCCF 512a_100000189765_100015189416 [0,0,0,0,0,0|4,0,0]=4 193 B11R0.46 CC(=O)NNC(=O)NCCCO 273464a_100000182051_100000189765 [0,0,0,0,0,0|4,0,0]=4 194 B11R0.46 CC(=O)NNC(=O)NCCCO 512a_100000189765_100000182051 [0,0,0,0,0,0|4,0,0]=4 195 B11R0.46 CC(=O)OCC(=O)CCCC#N 1458a_100000183556_100000211468 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.46 CC(=O)OCC(=O)CCCCF 1458a_100000183556_100000729493 [0,0,0,0,0,0|3,0,0]=3 197 B11R0.46 CC(=O)OCC(=O)CCCCO 1458a_100000183556_100000210776 [0,0,0,0,0,0|3,0,0]=3 198 B11R0.46 CC(=O)OCC(=O)CNCCF 34a_100000724931_100000036994 [0,0,0,0,0,0|4,0,0]=4 199 B11R0.46 CC(=O)OCC(=O)CNCCO 34a_100016990907_100000036994 [0,0,0,0,0,0|4,0,0]=4 200 B11R0.46 CC(=O)OCC(=O)COCCBr 34a_100000211926_100000036994 [0,0,0,0,0,0|4,0,0]=4 201 B11R0.46 CC(=O)OCC(=O)COCCN 34a_100000210304_100000036994 [0,0,0,0,0,0|4,0,0]=4 202 B11R0.46 CC(=O)OCC(=O)CSCCF 62a_100000036994_100011217306 [0,0,0,0,0,0|4,0,0]=4 203 B11R0.46 CC(=O)OCC(=O)CSCCF 62a_100011217306_100000036994 [0,0,0,0,0,0|4,0,0]=4 204 B11R0.46 CC(=O)OCC(=O)CSCCO 62a_100000036994_100000211926 [0,0,0,0,0,0|4,0,0]=4 205 B11R0.46 CC(=O)OCC(=O)CSCCO 62a_100000211926_100000036994 [0,0,0,0,0,0|4,0,0]=4 206 B11R0.46 CC(=O)OCC(=O)NCCC#N 1626a_100000720768_100000183556 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.46 CC(=O)OCC(=O)NCCC#N 240690a_100000720768_100000183556 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.46 CC(=O)OCC(=O)NCCC#N 527a_100000720768_100000183556 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.46 CC(=O)OCC(=O)NCCCF 1626a_100015189416_100000183556 [0,0,0,0,0,0|3,0,0]=3 210 B11R0.46 CC(=O)OCC(=O)NCCCF 240690a_100015189416_100000183556 [0,0,0,0,0,0|3,0,0]=3 211 B11R0.46 CC(=O)OCC(=O)NCCCF 527a_100015189416_100000183556 [0,0,0,0,0,0|3,0,0]=3 212 B11R0.46 CC(=O)OCC(=O)NCCCO 240690a_100000182051_100000183556 [0,0,0,0,0,0|3,0,0]=3 213 B11R0.46 CC(=O)OCC(=O)NCCCO 527a_100000182051_100000183556 [0,0,0,0,0,0|3,0,0]=3 214 B11R0.46 CC(=O)OCC(=O)NNCCO 22a_100000210001_100000183556 [0,0,0,0,0,0|4,0,0]=4 215 B11R0.46 CC(=O)SCC(=O)CCCC#N 1458a_100000049016_100000211468 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.46 CC(=O)SCC(=O)CCCCF 1458a_100000049016_100000729493 [0,0,0,0,0,0|3,0,0]=3 217 B11R0.46 CC(=O)SCC(=O)CCCCO 1458a_100000049016_100000210776 [0,0,0,0,0,0|3,0,0]=3 218 B11R0.46 CC(=O)SCC(=O)NCCC#N 11a_100000720768_100000049016 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.46 CC(=O)SCC(=O)NCCC#N 1626a_100000720768_100000049016 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.46 CC(=O)SCC(=O)NCCC#N 240690a_100000720768_100000049016 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.46 CC(=O)SCC(=O)NCCCF 11a_100015189416_100000049016 [0,0,0,0,0,0|3,0,0]=3 222 B11R0.46 CC(=O)SCC(=O)NCCCF 1626a_100015189416_100000049016 [0,0,0,0,0,0|3,0,0]=3 223 B11R0.46 CC(=O)SCC(=O)NCCCF 240690a_100015189416_100000049016 [0,0,0,0,0,0|3,0,0]=3 224 B11R0.46 CC(=O)SCC(=O)NCCCO 240690a_100000182051_100000049016 [0,0,0,0,0,0|3,0,0]=3 225 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [0,0,0,0,0,0|3,0,1]=4 226 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [0,0,0,0,0,0|3,0,1]=4 227 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.46 CC(C)CCC(=O)NCCCF 11a_100015189416_100000181311 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.46 CC(C)CCC(=O)NCCCF 1626a_100015189416_100000181311 [0,0,0,0,0,0|3,0,1]=4 230 B11R0.46 CC(C)CCC(=O)NCCCF 240690a_100015189416_100000181311 [0,0,0,0,0,0|3,0,1]=4 231 B11R0.46 CC(C)CCC(=O)NCCCF 527a_100015189416_100000181311 [0,0,0,0,0,0|3,0,1]=4 232 B11R0.46 CC(C)CCC(=O)NCCCO 240690a_100000182051_100000181311 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.46 CC(C)CCC(=O)NCCCO 527a_100000182051_100000181311 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,0,0,0,0,0|2,0,2]=4 235 B11R0.46 CC(O)CCC(=O)NCCCF 1626a_100015189416_100000718519 [0,0,0,0,0,0|2,0,2]=4 236 B11R0.46 CC/C=C\CC(=O)CCC(=O)N 1458a_100011215257_100103147603 [0,0,0,0,0,0|2,0,2]=4 237 B11R0.46 CC/C=C\CC(=O)CNC(=O)C 1458a_100000194580_100103147603 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.46 CC/C=C\CC(=O)COC(=O)C 1458a_100000183556_100103147603 [0,0,0,0,0,0|2,0,2]=4 239 B11R0.46 CC/C=C\CC(=O)CSC(=O)C 1458a_100000049016_100103147603 [0,0,0,0,0,0|2,0,2]=4 240 B11R0.46 CCC#CCC(=O)CCC(=O)N 1458a_100011215257_100009813939 [0,0,0,0,0,0|2,0,2]=4 241 B11R0.46 CCC#CCC(=O)CNC(=O)C 1458a_100000194580_100009813939 [0,0,0,0,0,0|2,0,2]=4 242 B11R0.46 CCC#CCC(=O)COC(=O)C 1458a_100000183556_100009813939 [0,0,0,0,0,0|2,0,2]=4 243 B11R0.46 CCC#CCC(=O)CSC(=O)C 1458a_100000049016_100009813939 [0,0,0,0,0,0|2,0,2]=4 244 B11R0.46 CCCC#CC(=O)CC=C(C)C 1458a_200011218047_100000761012 [0,0,0,0,0,0|2,0,2]=4 245 B11R0.46 CCCC#CC(=O)CCC(C)C 1458a_200011218047_100000210312 [0,0,0,0,0,0|2,0,2]=4 246 B11R0.46 CCCC#CC(=O)CCC(C)O 1458a_200011218047_100012276601 [0,0,0,0,0,0|1,0,3]=4 247 B11R0.46 CCCC#CC(=O)NCC(=O)N 240690a_100000711301_200011218047 [0,0,0,0,0,0|3,0,1]=4 248 B11R0.46 CCCC#CC(=O)NNC(=O)C 22a_100000189765_200011218047 [0,0,0,0,0,0|3,0,1]=4 249 B11R0.46 CCCC=CC(=O)CC=C(C)C 1458a_100000212230_100000761012 [0,0,0,0,0,0|2,0,2]=4 250 B11R0.46 CCCC=CC(=O)CCC(C)C 1458a_100000212230_100000210312 [0,0,0,0,0,0|2,0,2]=4 251 B11R0.46 CCCC=CC(=O)CCC(C)O 1458a_100000212230_100012276601 [0,0,0,0,0,0|1,0,3]=4 252 B11R0.46 CCCC=CC(=O)NCC(=O)N 11a_100000711301_100000212230 [0,0,0,0,0,0|3,0,1]=4 253 B11R0.46 CCCC=CC(=O)NCC(=O)N 240690a_100000711301_100000212230 [0,0,0,0,0,0|3,0,1]=4 254 B11R0.46 CCCC=CC(=O)NNC(=O)C 22a_100000189765_100000212230 [0,0,0,0,0,0|3,0,1]=4 255 B11R0.46 CCCCCC(=NNC(=O)C)C 4a_100000189765_100000211708 [0,0,0,0,0,0|4,0,0]=4 256 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,0,0,0,0,0|2,0,1]=3 257 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,0,0,0,0,0|2,0,1]=3 258 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,0,0,0,0,0|2,0,0]=2 259 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,0,0,0,0,0|2,0,1]=3 260 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,0,0,0,0,0|2,0,1]=3 261 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,0,0,0,0,0|1,0,2]=3 262 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [0,0,0,0,0,0|3,0,0]=3 263 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,0,0,0,0,0|3,0,0]=3 264 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,0,0,0,0,0|2,0,0]=2 265 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,0,0,0,0,0|3,0,0]=3 266 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,0,0,0,0,0|3,0,1]=4 267 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,0,0,0,0,0|3,0,1]=4 268 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,0,0,0,0,0|2,0,0]=2 269 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,0,0,0,0,0|3,0,1]=4 270 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,0,0,0,0,0|3,0,1]=4 271 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,0,0,0,0,0|2,0,0]=2 272 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,0,0,0,0,0|3,0,1]=4 273 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,0,0,0,0,0|3,0,1]=4 274 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,0,0,0,0,0|3,0,1]=4 275 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,0,0,0,0,0|3,0,0]=3 276 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,0,0,0,0,0|3,0,0]=3 277 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,0,0,0,0,0|3,0,0]=3 278 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,0,0,0,0,0|3,0,1]=4 279 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,0,0,0,0,0|3,0,1]=4 280 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,0,0,0,0,0|3,0,1]=4 282 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,0,0,0,0,0|2,0,2]=4 283 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,0,0,0,0,0|2,0,2]=4 284 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,0,0,0,0,0|2,0,2]=4 285 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,0,0,0,0,0|3,0,0]=3 286 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,0,0,0,0,0|3,0,0]=3 287 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,0,0,0,0,0|2,0,1]=3 288 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,0,0,0,0,0|2,0,1]=3 289 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,0,0,0,0,0|3,0,1]=4 290 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,0,0,0,0,0|3,0,0]=3 291 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,0,0,0,0,0|3,0,0]=3 292 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,0,0,0,0,0|4,0,0]=4 293 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,0,0,0,0,0|4,0,0]=4 294 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,0,0,0,0,0|4,0,0]=4 295 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,0,0,0,0,0|3,0,0]=3 296 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,0,0,0,0,0|4,0,0]=4 297 B11R0.46 CCCCNC(=O)CC=C(C)C 11a_100000102301_100011220947 [0,0,0,0,0,0|2,0,1]=3 298 B11R0.46 CCCCNC(=O)CC=C(C)C 1626a_100000102301_100011220947 [0,0,0,0,0,0|2,0,1]=3 299 B11R0.46 CCCCNC(=O)CC=C(C)C 240690a_100000102301_100011220947 [0,0,0,0,0,0|2,0,1]=3 300 B11R0.46 CCCCNC(=O)CC=C(C)C 527a_100000102301_100011220947 [0,0,0,0,0,0|2,0,1]=3 301 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [0,0,0,0,0,0|2,0,0]=2 302 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [0,0,0,0,0,0|2,0,0]=2 303 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [0,0,0,0,0,0|2,0,1]=3 304 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [0,0,0,0,0,0|2,0,1]=3 305 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [0,0,0,0,0,0|2,0,1]=3 306 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [0,0,0,0,0,0|2,0,1]=3 307 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,0,0,0,0,0|1,0,2]=3 308 B11R0.46 CCCCNC(=O)CCN(C)C 11a_100000102301_100000689311 [0,0,0,0,0,0|3,0,0]=3 309 B11R0.46 CCCCNC(=O)CCN(C)C 240690a_100000102301_100000689311 [0,0,0,0,0,0|3,0,0]=3 310 B11R0.46 CCCCNC(=O)CCN(C)C 527a_100000102301_100000689311 [0,0,0,0,0,0|3,0,0]=3 311 B11R0.46 CCCCNC(=O)CC[N+](=O)[O-] 11a_100000102301_200000064761 [0,0,0,0,0,0|3,0,0]=3 312 B11R0.46 CCCCNC(=O)CC[N+](=O)[O-] 1626a_100000102301_200000064761 [0,0,0,0,0,0|3,0,0]=3 313 B11R0.46 CCCCNC(=O)CC[N+](=O)[O-] 240690a_100000102301_200000064761 [0,0,0,0,0,0|3,0,0]=3 314 B11R0.46 CCCCNC(=O)CC[S+](C)C 11a_100000102301_100009452791 [0,0,0,0,0,0|3,0,0]=3 315 B11R0.46 CCCCNC(=O)CC[S+](C)C 1626a_100000102301_100009452791 [0,0,0,0,0,0|3,0,0]=3 316 B11R0.46 CCCCNC(=O)CC[S+](C)C 240690a_100000102301_100009452791 [0,0,0,0,0,0|3,0,0]=3 317 B11R0.46 CCCCNC(=O)CNC(=O)C 11a_100000102301_100000194580 [0,0,0,0,0,0|2,0,0]=2 318 B11R0.46 CCCCNC(=O)CNC(=O)C 1626a_100000102301_100000194580 [0,0,0,0,0,0|2,0,0]=2 319 B11R0.46 CCCCNC(=O)CNC(=O)C 240690a_100000102301_100000194580 [0,0,0,0,0,0|2,0,0]=2 320 B11R0.46 CCCCNC(=O)CNC(=O)C 527a_100000102301_100000194580 [0,0,0,0,0,0|2,0,0]=2 321 B11R0.46 CCCCNC(=O)CNC(=O)N 240690a_100000102301_100000184981 [0,0,0,0,0,0|3,0,0]=3 322 B11R0.46 CCCCNC(=O)CNC(=O)N 527a_100000102301_100000184981 [0,0,0,0,0,0|3,0,0]=3 323 B11R0.46 CCCCNC(=O)CNC(C)C 2230a_100138425928_100000182744 [0,0,0,0,0,0|3,0,1]=4 324 B11R0.46 CCCCNC(=O)CNC(C)C 34a_100138425928_100000182744 [0,0,0,0,0,0|3,0,1]=4 325 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [0,0,0,0,0,0|2,0,0]=2 326 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [0,0,0,0,0,0|2,0,0]=2 327 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [0,0,0,0,0,0|2,0,0]=2 328 B11R0.46 CCCCNC(=O)COC(C)C 11a_100000102301_100000745533 [0,0,0,0,0,0|3,0,1]=4 329 B11R0.46 CCCCNC(=O)COC(C)C 1626a_100000102301_100000745533 [0,0,0,0,0,0|3,0,1]=4 330 B11R0.46 CCCCNC(=O)COC(C)C 240690a_100000102301_100000745533 [0,0,0,0,0,0|3,0,1]=4 331 B11R0.46 CCCCNC(=O)COC(C)C 34a_100000212225_100000182744 [0,0,0,0,0,0|3,0,1]=4 332 B11R0.46 CCCCNC(=O)COC(C)C 527a_100000102301_100000745533 [0,0,0,0,0,0|3,0,1]=4 333 B11R0.46 CCCCNC(=O)CSC(=O)C 11a_100000102301_100000049016 [0,0,0,0,0,0|2,0,0]=2 334 B11R0.46 CCCCNC(=O)CSC(=O)C 1626a_100000102301_100000049016 [0,0,0,0,0,0|2,0,0]=2 335 B11R0.46 CCCCNC(=O)CSC(=O)C 240690a_100000102301_100000049016 [0,0,0,0,0,0|2,0,0]=2 336 B11R0.46 CCCCNC(=O)CSC(=O)N 240690a_100000102301_200015941356 [0,0,0,0,0,0|3,0,0]=3 337 B11R0.46 CCCCNC(=O)CSC(C)C 11a_100000102301_100000241585 [0,0,0,0,0,0|3,0,1]=4 338 B11R0.46 CCCCNC(=O)CSC(C)C 1626a_100000102301_100000241585 [0,0,0,0,0,0|3,0,1]=4 339 B11R0.46 CCCCNC(=O)CSC(C)C 240690a_100000102301_100000241585 [0,0,0,0,0,0|3,0,1]=4 340 B11R0.46 CCCCNC(=O)CSC(C)C 527a_100000102301_100000241585 [0,0,0,0,0,0|3,0,1]=4 341 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000182744_100000210206 [0,0,0,0,0,0|3,0,1]=4 342 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000210206_100000182744 [0,0,0,0,0,0|3,0,1]=4 343 B11R0.46 CCCCNC(=O)NCC(=O)N 2708a_100000102301_100000711301 [0,0,0,0,0,0|3,0,0]=3 344 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000102301_100000711301 [0,0,0,0,0,0|3,0,0]=3 345 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000711301_100000102301 [0,0,0,0,0,0|3,0,0]=3 346 B11R0.46 CCCCNC(=O)NCC(=O)N 512a_100000102301_100000711301 [0,0,0,0,0,0|3,0,0]=3 347 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000102301_100000210953 [0,0,0,0,0,0|3,0,1]=4 348 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000210953_100000102301 [0,0,0,0,0,0|3,0,1]=4 349 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000102301_100000210953 [0,0,0,0,0,0|3,0,1]=4 350 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000210953_100000102301 [0,0,0,0,0,0|3,0,1]=4 351 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000102301_100000210953 [0,0,0,0,0,0|3,0,1]=4 352 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000210953_100000102301 [0,0,0,0,0,0|3,0,1]=4 353 B11R0.46 CCCCNC(=O)NCC(C)O 2708a_100000102301_100000210904 [0,0,0,0,0,0|2,0,2]=4 354 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000102301_100000210904 [0,0,0,0,0,0|2,0,2]=4 355 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000210904_100000102301 [0,0,0,0,0,0|2,0,2]=4 356 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000102301_100000210904 [0,0,0,0,0,0|2,0,2]=4 357 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000210904_100000102301 [0,0,0,0,0,0|2,0,2]=4 358 B11R0.46 CCCCNC(=O)NNC(=O)C 273464a_100000102301_100000189765 [0,0,0,0,0,0|3,0,0]=3 359 B11R0.46 CCCCNC(=O)NNC(=O)C 512a_100000189765_100000102301 [0,0,0,0,0,0|3,0,0]=3 360 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,0,0,0,0,0|3,0,1]=4 361 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [0,0,0,0,0,0|2,0,1]=3 362 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [0,0,0,0,0,0|2,0,1]=3 363 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [0,0,0,0,0,0|2,0,1]=3 364 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [0,0,0,0,0,0|2,0,1]=3 365 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [0,0,0,0,0,0|2,0,1]=3 366 B11R0.46 CCCCOC(C)CCC(C)C 34a_100000210227_100011261404 [0,0,0,0,0,0|2,0,2]=4 367 B11R0.46 CCCCOC(C)CCC(C)C 34a_100011215350_100000210210 [0,0,0,0,0,0|2,0,2]=4 368 B11R0.46 CCCCOC(C)CCC(C)C 7a_100011215350_100000210211 [0,0,0,0,0,0|2,0,2]=4 369 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [0,0,0,0,0,0|4,0,0]=4 370 B11R0.46 CCCNN=C(C)COC(=O)C 4a_100000740057_100000000629 [0,0,0,0,0,0|4,0,0]=4 371 B11R0.46 CCCNNC(=O)CC=C(C)C 22a_100000740057_100011220947 [0,0,0,0,0,0|3,0,1]=4 372 B11R0.46 CCCNNC(=O)CCC(=O)N 22a_100000740057_100011215257 [0,0,0,0,0,0|3,0,0]=3 373 B11R0.46 CCCNNC(=O)CCC(C)C 22a_100000740057_100000181311 [0,0,0,0,0,0|3,0,1]=4 374 B11R0.46 CCCNNC(=O)CCN(C)C 22a_100000740057_100000689311 [0,0,0,0,0,0|4,0,0]=4 375 B11R0.46 CCCNNC(=O)CC[S+](C)C 22a_100000740057_100009452791 [0,0,0,0,0,0|4,0,0]=4 376 B11R0.46 CCCNNC(=O)CNC(=O)C 22a_100000740057_100000194580 [0,0,0,0,0,0|3,0,0]=3 377 B11R0.46 CCCNNC(=O)CNC(=O)N 22a_100000740057_100000184981 [0,0,0,0,0,0|4,0,0]=4 378 B11R0.46 CCCNNC(=O)COC(=O)C 22a_100000740057_100000183556 [0,0,0,0,0,0|3,0,0]=3 379 B11R0.46 CCCNNC(=O)NCC(=O)N 273464a_100000711301_100000740057 [0,0,0,0,0,0|4,0,0]=4 380 B11R0.46 CCCNNC(=O)NCC(=O)N 512a_100000740057_100000711301 [0,0,0,0,0,0|4,0,0]=4 381 B11R0.46 CCCNNC(=O)NNC(=O)C 512a_100000189765_100000740057 [0,0,0,0,0,0|4,0,0]=4 382 B11R0.46 CCCOCC(=O)CC=C(C)C 1458a_100000745993_100000761012 [0,0,0,0,0,0|3,0,1]=4 383 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [0,0,0,0,0,0|3,0,1]=4 384 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,0,0,0,0,0|2,0,2]=4 385 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [0,0,0,0,0,0|3,0,0]=3 386 B11R0.46 CCCOCC(=O)NCC(=O)N 11a_100000711301_100000745993 [0,0,0,0,0,0|4,0,0]=4 387 B11R0.46 CCCOCC(=O)NCC(=O)N 240690a_100000711301_100000745993 [0,0,0,0,0,0|4,0,0]=4 388 B11R0.46 CCCOCC(=O)NCC(=O)N 527a_100000711301_100000745993 [0,0,0,0,0,0|4,0,0]=4 389 B11R0.46 CCCOCC(=O)NNC(=O)C 22a_100000189765_100000745993 [0,0,0,0,0,0|4,0,0]=4 390 B11R0.46 CCCSCC(=O)CC=C(C)C 1458a_100000217233_100000761012 [0,0,0,0,0,0|3,0,1]=4 391 B11R0.46 CCCSCC(=O)CCC(C)C 1458a_100000217233_100000210312 [0,0,0,0,0,0|3,0,1]=4 392 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,0,0,0,0,0|2,0,2]=4 393 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [0,0,0,0,0,0|3,0,0]=3 394 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [0,0,0,0,0,0|3,0,0]=3 395 B11R0.46 CCCSCC(=O)NCC(=O)N 11a_100000711301_100000217233 [0,0,0,0,0,0|4,0,0]=4 396 B11R0.46 CCCSCC(=O)NCC(=O)N 240690a_100000711301_100000217233 [0,0,0,0,0,0|4,0,0]=4 397 B11R0.46 CCCSCC(=O)NCC(=O)N 527a_100000711301_100000217233 [0,0,0,0,0,0|4,0,0]=4 398 B11R0.46 CCCSCC(=O)NNC(=O)C 22a_100000189765_100000217233 [0,0,0,0,0,0|4,0,0]=4 399 B11R0.46 CCCSCC(=O)NNC(=O)C 62a_100000181415_100000210303 [0,0,0,0,0,0|4,0,0]=4 400 B11R0.46 CCCSCC(=O)NNC(=O)C 62a_100000210303_100000181415 [0,0,0,0,0,0|4,0,0]=4 401 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [0,0,0,0,0,0|4,0,0]=4 402 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100000749530_100000761012 [0,0,0,0,0,0|3,0,1]=4 403 B11R0.46 CCOCCC(=O)CC=C(C)C 1458a_100011220947_100011215890 [0,0,0,0,0,0|3,0,1]=4 404 B11R0.46 CCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215890 [0,0,0,0,0,0|3,0,0]=3 405 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [0,0,0,0,0,0|3,0,1]=4 406 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [0,0,0,0,0,0|3,0,1]=4 407 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,0,0,0,0,0|2,0,2]=4 408 B11R0.46 CCOCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215890 [0,0,0,0,0,0|4,0,0]=4 409 B11R0.46 CCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215890 [0,0,0,0,0,0|4,0,0]=4 410 B11R0.46 CCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215890 [0,0,0,0,0,0|3,0,0]=3 411 B11R0.46 CCOCCC(=O)CNC(=O)N 1458a_100000184981_100011215890 [0,0,0,0,0,0|4,0,0]=4 412 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [0,0,0,0,0,0|3,0,0]=3 413 B11R0.46 CCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215890 [0,0,0,0,0,0|3,0,0]=3 414 B11R0.46 CCOCCC(=O)NCC(=O)N 11a_100000711301_100000749530 [0,0,0,0,0,0|4,0,0]=4 415 B11R0.46 CCOCCC(=O)NCC(=O)N 240690a_100000711301_100000749530 [0,0,0,0,0,0|4,0,0]=4 416 B11R0.46 CCOCCC(=O)NCC(=O)N 527a_100000711301_100000749530 [0,0,0,0,0,0|4,0,0]=4 417 B11R0.46 CCOCCC(=O)NNC(=O)C 22a_100000189765_100000749530 [0,0,0,0,0,0|4,0,0]=4 418 B11R0.46 CCSCCC(=O)CC=C(C)C 1458a_100000230768_100000761012 [0,0,0,0,0,0|3,0,1]=4 419 B11R0.46 CCSCCC(=O)CC=C(C)C 1458a_100011220947_100000757381 [0,0,0,0,0,0|3,0,1]=4 420 B11R0.46 CCSCCC(=O)CCC(=O)N 1458a_100011215257_100000757381 [0,0,0,0,0,0|3,0,0]=3 421 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000181311_100000757381 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000230768_100000210312 [0,0,0,0,0,0|3,0,1]=4 423 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,0,0,0,0,0|2,0,2]=4 424 B11R0.46 CCSCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000757381 [0,0,0,0,0,0|4,0,0]=4 425 B11R0.46 CCSCCC(=O)CC[S+](C)C 1458a_100009452791_100000757381 [0,0,0,0,0,0|4,0,0]=4 426 B11R0.46 CCSCCC(=O)CNC(=O)C 1458a_100000194580_100000757381 [0,0,0,0,0,0|3,0,0]=3 427 B11R0.46 CCSCCC(=O)CNC(=O)N 1458a_100000184981_100000757381 [0,0,0,0,0,0|4,0,0]=4 428 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [0,0,0,0,0,0|3,0,0]=3 429 B11R0.46 CCSCCC(=O)CSC(=O)C 1458a_100000049016_100000757381 [0,0,0,0,0,0|3,0,0]=3 430 B11R0.46 CCSCCC(=O)NCC(=O)N 11a_100000711301_100000230768 [0,0,0,0,0,0|4,0,0]=4 431 B11R0.46 CCSCCC(=O)NCC(=O)N 240690a_100000711301_100000230768 [0,0,0,0,0,0|4,0,0]=4 432 B11R0.46 CCSCCC(=O)NCC(=O)N 527a_100000711301_100000230768 [0,0,0,0,0,0|4,0,0]=4 433 B11R0.46 CCSCCC(=O)NNC(=O)C 22a_100000189765_100000230768 [0,0,0,0,0,0|4,0,0]=4 434 B11R0.46 CN(C)CCC(=O)NCCCF 11a_100015189416_100000689311 [0,0,0,0,0,0|4,0,0]=4 435 B11R0.46 CN(C)CCC(=O)NCCCF 240690a_100015189416_100000689311 [0,0,0,0,0,0|4,0,0]=4 436 B11R0.46 CN(C)CCC(=O)NCCCF 527a_100015189416_100000689311 [0,0,0,0,0,0|4,0,0]=4 437 B11R0.46 CN(C)CCC(=O)NCCCO 240690a_100000182051_100000689311 [0,0,0,0,0,0|4,0,0]=4 438 B11R0.46 CN(C)CCC(=O)NCCCO 527a_100000182051_100000689311 [0,0,0,0,0,0|4,0,0]=4 439 B11R0.46 COCCCC(=O)CC=C(C)C 1458a_100000741012_100000761012 [0,0,0,0,0,0|3,0,1]=4 440 B11R0.46 COCCCC(=O)CC=C(C)C 1458a_100011220947_100000740836 [0,0,0,0,0,0|3,0,1]=4 441 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [0,0,0,0,0,0|3,0,0]=3 442 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000181311_100000740836 [0,0,0,0,0,0|3,0,1]=4 443 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000741012_100000210312 [0,0,0,0,0,0|3,0,1]=4 444 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,0,0,0,0,0|2,0,2]=4 445 B11R0.46 COCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000740836 [0,0,0,0,0,0|4,0,0]=4 446 B11R0.46 COCCCC(=O)CC[S+](C)C 1458a_100009452791_100000740836 [0,0,0,0,0,0|4,0,0]=4 447 B11R0.46 COCCCC(=O)CNC(=O)C 1458a_100000194580_100000740836 [0,0,0,0,0,0|3,0,0]=3 448 B11R0.46 COCCCC(=O)CNC(=O)N 1458a_100000184981_100000740836 [0,0,0,0,0,0|4,0,0]=4 449 B11R0.46 COCCCC(=O)COC(=O)C 1458a_100000183556_100000740836 [0,0,0,0,0,0|3,0,0]=3 450 B11R0.46 COCCCC(=O)CSC(=O)C 1458a_100000049016_100000740836 [0,0,0,0,0,0|3,0,0]=3 451 B11R0.46 COCCCC(=O)NCC(=O)N 11a_100000711301_100000741012 [0,0,0,0,0,0|4,0,0]=4 452 B11R0.46 COCCCC(=O)NCC(=O)N 240690a_100000711301_100000741012 [0,0,0,0,0,0|4,0,0]=4 453 B11R0.46 COCCCC(=O)NCC(=O)N 527a_100000711301_100000741012 [0,0,0,0,0,0|4,0,0]=4 454 B11R0.46 COCCCC(=O)NNC(=O)C 22a_100000189765_100000741012 [0,0,0,0,0,0|4,0,0]=4 455 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [0,0,0,0,0,0|4,0,0]=4 456 B11R0.46 COCCNC(=O)CC=C(C)C 1626a_100000209980_100011220947 [0,0,0,0,0,0|3,0,1]=4 457 B11R0.46 COCCNC(=O)CC=C(C)C 240690a_100000209980_100011220947 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.46 COCCNC(=O)CC=C(C)C 527a_100000209980_100011220947 [0,0,0,0,0,0|3,0,1]=4 459 B11R0.46 COCCNC(=O)CCC(=O)N 240690a_100000209980_100011215257 [0,0,0,0,0,0|3,0,0]=3 460 B11R0.46 COCCNC(=O)CCC(=O)N 527a_100000209980_100011215257 [0,0,0,0,0,0|3,0,0]=3 461 B11R0.46 COCCNC(=O)CCC(C)C 1626a_100000209980_100000181311 [0,0,0,0,0,0|3,0,1]=4 462 B11R0.46 COCCNC(=O)CCC(C)C 240690a_100000209980_100000181311 [0,0,0,0,0,0|3,0,1]=4 463 B11R0.46 COCCNC(=O)CCC(C)C 527a_100000209980_100000181311 [0,0,0,0,0,0|3,0,1]=4 464 B11R0.46 COCCNC(=O)CCC(C)O 1626a_100000209980_100000718519 [0,0,0,0,0,0|2,0,2]=4 465 B11R0.46 COCCNC(=O)CCN(C)C 240690a_100000209980_100000689311 [0,0,0,0,0,0|4,0,0]=4 466 B11R0.46 COCCNC(=O)CCN(C)C 527a_100000209980_100000689311 [0,0,0,0,0,0|4,0,0]=4 467 B11R0.46 COCCNC(=O)CC[N+](=O)[O-] 1626a_100000209980_200000064761 [0,0,0,0,0,0|4,0,0]=4 468 B11R0.46 COCCNC(=O)CC[N+](=O)[O-] 240690a_100000209980_200000064761 [0,0,0,0,0,0|4,0,0]=4 469 B11R0.46 COCCNC(=O)CC[S+](C)C 1626a_100000209980_100009452791 [0,0,0,0,0,0|4,0,0]=4 470 B11R0.46 COCCNC(=O)CC[S+](C)C 240690a_100000209980_100009452791 [0,0,0,0,0,0|4,0,0]=4 471 B11R0.46 COCCNC(=O)CNC(=O)C 1626a_100000209980_100000194580 [0,0,0,0,0,0|3,0,0]=3 472 B11R0.46 COCCNC(=O)CNC(=O)C 1626a_100000754632_100015343762 [0,0,0,0,0,0|3,0,0]=3 473 B11R0.46 COCCNC(=O)CNC(=O)C 240690a_100000209980_100000194580 [0,0,0,0,0,0|3,0,0]=3 474 B11R0.46 COCCNC(=O)CNC(=O)C 240690a_100000754632_100015343762 [0,0,0,0,0,0|3,0,0]=3 475 B11R0.46 COCCNC(=O)CNC(=O)C 527a_100000209980_100000194580 [0,0,0,0,0,0|3,0,0]=3 476 B11R0.46 COCCNC(=O)CNC(=O)C 527a_100000754632_100103153847 [0,0,0,0,0,0|3,0,0]=3 477 B11R0.46 COCCNC(=O)CNC(=O)N 240690a_100000209980_100000184981 [0,0,0,0,0,0|4,0,0]=4 478 B11R0.46 COCCNC(=O)CNC(=O)N 527a_100000209980_100000184981 [0,0,0,0,0,0|4,0,0]=4 479 B11R0.46 COCCNC(=O)COC(=O)C 1626a_100000209980_100000183556 [0,0,0,0,0,0|3,0,0]=3 480 B11R0.46 COCCNC(=O)COC(=O)C 240690a_100000209980_100000183556 [0,0,0,0,0,0|3,0,0]=3 481 B11R0.46 COCCNC(=O)COC(=O)C 527a_100000209980_100000183556 [0,0,0,0,0,0|3,0,0]=3 482 B11R0.46 COCCNC(=O)CSC(=O)C 1626a_100000209980_100000049016 [0,0,0,0,0,0|3,0,0]=3 483 B11R0.46 COCCNC(=O)CSC(=O)C 240690a_100000209980_100000049016 [0,0,0,0,0,0|3,0,0]=3 484 B11R0.46 COCCNC(=O)CSC(=O)N 240690a_100000209980_200015941356 [0,0,0,0,0,0|4,0,0]=4 485 B11R0.46 COCCNC(=O)NCC(=O)N 273464a_100000209980_100000711301 [0,0,0,0,0,0|4,0,0]=4 486 B11R0.46 COCCNC(=O)NCC(=O)N 273464a_100000711301_100000209980 [0,0,0,0,0,0|4,0,0]=4 487 B11R0.46 COCCNC(=O)NNC(=O)C 273464a_100000209980_100000189765 [0,0,0,0,0,0|4,0,0]=4 488 B11R0.46 COCCOC(=O)CNC(C)C 2230a_100138425928_200000040189 [0,0,0,0,0,0|3,0,1]=4 489 B11R0.46 COCCOC(=O)CNC(C)C 34a_100138425928_200000040189 [0,0,0,0,0,0|3,0,1]=4 490 B11R0.46 COCCOC(=O)COC(C)C 34a_100000212225_200000040189 [0,0,0,0,0,0|3,0,1]=4 491 B11R0.46 COCCOC(=O)CSC(C)C 62a_100000210206_200000040189 [0,0,0,0,0,0|3,0,1]=4 492 B11R0.46 COCCOC(=O)CSC(C)C 62a_200000040189_100000210206 [0,0,0,0,0,0|3,0,1]=4 493 B11R0.46 COCSCC(=O)COC(=O)C 62a_100000036994_100000766300 [0,0,0,0,0,0|4,0,0]=4 494 B11R0.46 COCSCC(=O)COC(=O)C 62a_100000766300_100000036994 [0,0,0,0,0,0|4,0,0]=4 495 B11R0.46 CSCCCC(=O)CC=C(C)C 1458a_100000173376_100000761012 [0,0,0,0,0,0|3,0,1]=4 496 B11R0.46 CSCCCC(=O)CCC(C)C 1458a_100000173376_100000210312 [0,0,0,0,0,0|3,0,1]=4 497 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,0,0,0,0,0|2,0,2]=4 498 B11R0.46 CSCCCC(=O)NCC(=O)N 11a_100000711301_100000173376 [0,0,0,0,0,0|4,0,0]=4 499 B11R0.46 CSCCCC(=O)NCC(=O)N 240690a_100000711301_100000173376 [0,0,0,0,0,0|4,0,0]=4 500 B11R0.46 CSCCCC(=O)NCC(=O)N 527a_100000711301_100000173376 [0,0,0,0,0,0|4,0,0]=4 501 B11R0.46 CSCCCC(=O)NNC(=O)C 22a_100000189765_100000173376 [0,0,0,0,0,0|4,0,0]=4 502 B11R0.46 CSCCNC(=O)CC=C(C)C 11a_100020590264_100011220947 [0,0,0,0,0,0|3,0,1]=4 503 B11R0.46 CSCCNC(=O)CC=C(C)C 1626a_100020590264_100011220947 [0,0,0,0,0,0|3,0,1]=4 504 B11R0.46 CSCCNC(=O)CC=C(C)C 240690a_100020590264_100011220947 [0,0,0,0,0,0|3,0,1]=4 505 B11R0.46 CSCCNC(=O)CC=C(C)C 527a_100020590264_100011220947 [0,0,0,0,0,0|3,0,1]=4 506 B11R0.46 CSCCNC(=O)CCC(=O)N 240690a_100020590264_100011215257 [0,0,0,0,0,0|3,0,0]=3 507 B11R0.46 CSCCNC(=O)CCC(=O)N 527a_100020590264_100011215257 [0,0,0,0,0,0|3,0,0]=3 508 B11R0.46 CSCCNC(=O)CCC(C)C 11a_100020590264_100000181311 [0,0,0,0,0,0|3,0,1]=4 509 B11R0.46 CSCCNC(=O)CCC(C)C 1626a_100020590264_100000181311 [0,0,0,0,0,0|3,0,1]=4 510 B11R0.46 CSCCNC(=O)CCC(C)C 240690a_100020590264_100000181311 [0,0,0,0,0,0|3,0,1]=4 511 B11R0.46 CSCCNC(=O)CCC(C)C 527a_100020590264_100000181311 [0,0,0,0,0,0|3,0,1]=4 512 B11R0.46 CSCCNC(=O)CCC(C)O 1626a_100020590264_100000718519 [0,0,0,0,0,0|2,0,2]=4 513 B11R0.46 CSCCNC(=O)CCN(C)C 11a_100020590264_100000689311 [0,0,0,0,0,0|4,0,0]=4 514 B11R0.46 CSCCNC(=O)CCN(C)C 240690a_100020590264_100000689311 [0,0,0,0,0,0|4,0,0]=4 515 B11R0.46 CSCCNC(=O)CCN(C)C 527a_100020590264_100000689311 [0,0,0,0,0,0|4,0,0]=4 516 B11R0.46 CSCCNC(=O)CC[N+](=O)[O-] 11a_100020590264_200000064761 [0,0,0,0,0,0|4,0,0]=4 517 B11R0.46 CSCCNC(=O)CC[N+](=O)[O-] 1626a_100020590264_200000064761 [0,0,0,0,0,0|4,0,0]=4 518 B11R0.46 CSCCNC(=O)CC[N+](=O)[O-] 240690a_100020590264_200000064761 [0,0,0,0,0,0|4,0,0]=4 519 B11R0.46 CSCCNC(=O)CC[S+](C)C 11a_100020590264_100009452791 [0,0,0,0,0,0|4,0,0]=4 520 B11R0.46 CSCCNC(=O)CC[S+](C)C 1626a_100020590264_100009452791 [0,0,0,0,0,0|4,0,0]=4 521 B11R0.46 CSCCNC(=O)CC[S+](C)C 240690a_100020590264_100009452791 [0,0,0,0,0,0|4,0,0]=4 522 B11R0.46 CSCCNC(=O)CNC(=O)C 11a_100020590264_100000194580 [0,0,0,0,0,0|3,0,0]=3 523 B11R0.46 CSCCNC(=O)CNC(=O)C 1626a_100020590264_100000194580 [0,0,0,0,0,0|3,0,0]=3 524 B11R0.46 CSCCNC(=O)CNC(=O)C 240690a_100020590264_100000194580 [0,0,0,0,0,0|3,0,0]=3 525 B11R0.46 CSCCNC(=O)CNC(=O)C 527a_100020590264_100000194580 [0,0,0,0,0,0|3,0,0]=3 526 B11R0.46 CSCCNC(=O)CNC(=O)N 240690a_100020590264_100000184981 [0,0,0,0,0,0|4,0,0]=4 527 B11R0.46 CSCCNC(=O)CNC(=O)N 527a_100020590264_100000184981 [0,0,0,0,0,0|4,0,0]=4 528 B11R0.46 CSCCNC(=O)COC(=O)C 1626a_100020590264_100000183556 [0,0,0,0,0,0|3,0,0]=3 529 B11R0.46 CSCCNC(=O)COC(=O)C 240690a_100020590264_100000183556 [0,0,0,0,0,0|3,0,0]=3 530 B11R0.46 CSCCNC(=O)COC(=O)C 527a_100020590264_100000183556 [0,0,0,0,0,0|3,0,0]=3 531 B11R0.46 CSCCNC(=O)CSC(=O)C 11a_100020590264_100000049016 [0,0,0,0,0,0|3,0,0]=3 532 B11R0.46 CSCCNC(=O)CSC(=O)C 1626a_100020590264_100000049016 [0,0,0,0,0,0|3,0,0]=3 533 B11R0.46 CSCCNC(=O)CSC(=O)C 240690a_100020590264_100000049016 [0,0,0,0,0,0|3,0,0]=3 534 B11R0.46 CSCCNC(=O)CSC(=O)N 240690a_100020590264_200015941356 [0,0,0,0,0,0|4,0,0]=4 535 B11R0.46 CSCCNC(=O)NCC(=O)N 2708a_100020590264_100000711301 [0,0,0,0,0,0|4,0,0]=4 536 B11R0.46 CSCCNC(=O)NCC(=O)N 273464a_100000711301_100020590264 [0,0,0,0,0,0|4,0,0]=4 537 B11R0.46 CSCCNC(=O)NCC(=O)N 273464a_100020590264_100000711301 [0,0,0,0,0,0|4,0,0]=4 538 B11R0.46 CSCCNC(=O)NCC(=O)N 512a_100020590264_100000711301 [0,0,0,0,0,0|4,0,0]=4 539 B11R0.46 CSCCNC(=O)NNC(=O)C 273464a_100020590264_100000189765 [0,0,0,0,0,0|4,0,0]=4 540 B11R0.46 CSCCNC(=O)NNC(=O)C 512a_100000189765_100020590264 [0,0,0,0,0,0|4,0,0]=4 541 B11R0.46 CSCSCC(=O)COC(=O)C 62a_100000036994_100011218213 [0,0,0,0,0,0|4,0,0]=4 542 B11R0.46 CSCSCC(=O)COC(=O)C 62a_100011218213_100000036994 [0,0,0,0,0,0|4,0,0]=4 543 B11R0.46 C[S+](C)CCC(=O)CCCCF 1458a_100009452791_100000729493 [0,0,0,0,0,0|4,0,0]=4 544 B11R0.46 C[S+](C)CCC(=O)CCCCO 1458a_100009452791_100000210776 [0,0,0,0,0,0|4,0,0]=4 545 B11R0.46 C[S+](C)CCC(=O)NCCCF 11a_100015189416_100009452791 [0,0,0,0,0,0|4,0,0]=4 546 B11R0.46 C[S+](C)CCC(=O)NCCCF 1626a_100015189416_100009452791 [0,0,0,0,0,0|4,0,0]=4 547 B11R0.46 C[S+](C)CCC(=O)NCCCF 240690a_100015189416_100009452791 [0,0,0,0,0,0|4,0,0]=4 548 B11R0.46 C[S+](C)CCC(=O)NCCCO 240690a_100000182051_100009452791 [0,0,0,0,0,0|4,0,0]=4 549 B11R0.46 N#CCCCC(=O)CCC(=O)N 1458a_100011215257_100000211468 [0,0,0,0,0,0|3,0,1]=4 550 B11R0.46 N#CCCNC(=O)CCC(=O)N 240690a_100000720768_100011215257 [0,0,0,0,0,0|3,0,1]=4 551 B11R0.46 N#CCCNC(=O)CCC(=O)N 527a_100000720768_100011215257 [0,0,0,0,0,0|3,0,1]=4 552 B11R0.46 NC(=O)CCC(=O)CCCCF 1458a_100011215257_100000729493 [0,0,0,0,0,0|3,0,0]=3 553 B11R0.46 NC(=O)CCC(=O)CCCCO 1458a_100011215257_100000210776 [0,0,0,0,0,0|3,0,0]=3 554 B11R0.46 NC(=O)CCC(=O)NCCCF 240690a_100015189416_100011215257 [0,0,0,0,0,0|3,0,0]=3 555 B11R0.46 NC(=O)CCC(=O)NCCCF 527a_100015189416_100011215257 [0,0,0,0,0,0|3,0,0]=3 556 B11R0.46 NC(=O)CCC(=O)NCCCO 240690a_100000182051_100011215257 [0,0,0,0,0,0|3,0,0]=3 557 B11R0.46 NC(=O)CCC(=O)NCCCO 527a_100000182051_100011215257 [0,0,0,0,0,0|3,0,0]=3 558 B11R0.46 NC(=O)CCC(=O)NNCCO 22a_100000210001_100011215257 [0,0,0,0,0,0|4,0,0]=4 559 B11R0.46 NC(=O)CNC(=O)NCCCF 2708a_100015189416_100000711301 [0,0,0,0,0,0|4,0,0]=4 560 B11R0.46 NC(=O)CNC(=O)NCCCF 273464a_100000711301_100015189416 [0,0,0,0,0,0|4,0,0]=4 561 B11R0.46 NC(=O)CNC(=O)NCCCF 273464a_100015189416_100000711301 [0,0,0,0,0,0|4,0,0]=4 562 B11R0.46 NC(=O)CNC(=O)NCCCF 512a_100015189416_100000711301 [0,0,0,0,0,0|4,0,0]=4 563 B11R0.46 NC(=O)CNC(=O)NCCCO 273464a_100000182051_100000711301 [0,0,0,0,0,0|4,0,0]=4 564 B11R0.46 NC(=O)CNC(=O)NCCCO 273464a_100000711301_100000182051 [0,0,0,0,0,0|4,0,0]=4 565 B11R0.46 NC(=O)NCC(=O)CCCCF 1458a_100000184981_100000729493 [0,0,0,0,0,0|4,0,0]=4 566 B11R0.46 NC(=O)NCC(=O)CCCCO 1458a_100000184981_100000210776 [0,0,0,0,0,0|4,0,0]=4 567 B11R0.46 NC(=O)NCC(=O)NCCCF 240690a_100015189416_100000184981 [0,0,0,0,0,0|4,0,0]=4 568 B11R0.46 NC(=O)NCC(=O)NCCCF 527a_100015189416_100000184981 [0,0,0,0,0,0|4,0,0]=4 569 B11R0.46 NC(=O)NCC(=O)NCCCO 240690a_100000182051_100000184981 [0,0,0,0,0,0|4,0,0]=4 570 B11R0.46 NC(=O)NCC(=O)NCCCO 527a_100000182051_100000184981 [0,0,0,0,0,0|4,0,0]=4 571 B11R0.46 NC(=O)SCC(=O)NCCCF 240690a_100015189416_200015941356 [0,0,0,0,0,0|4,0,0]=4 572 B11R0.46 NC(=O)SCC(=O)NCCCO 240690a_100000182051_200015941356 [0,0,0,0,0,0|4,0,0]=4 573 B11R0.46 O=C(CCCCF)CC[N+](=O)[O-] 1458a_200000064761_100000729493 [0,0,0,0,0,0|4,0,0]=4 574 B11R0.46 O=C(CCCCO)CC[N+](=O)[O-] 1458a_200000064761_100000210776 [0,0,0,0,0,0|4,0,0]=4 575 B11R0.46 O=C(CC[N+](=O)[O-])NCCCF 11a_100015189416_200000064761 [0,0,0,0,0,0|4,0,0]=4 576 B11R0.46 O=C(CC[N+](=O)[O-])NCCCF 1626a_100015189416_200000064761 [0,0,0,0,0,0|4,0,0]=4 577 B11R0.46 O=C(CC[N+](=O)[O-])NCCCF 240690a_100015189416_200000064761 [0,0,0,0,0,0|4,0,0]=4 578 B11R0.46 O=C(CC[N+](=O)[O-])NCCCO 240690a_100000182051_200000064761 [0,0,0,0,0,0|4,0,0]=4 579 B11R0.46 [13CH3]C(=O)CCC(=O)OCCC#N 1458a_200009922858_200025704644 [0,0,0,0,0,0|1,0,1]=2 580 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [1,0,0,0,0,0|0,0,3]=4 581 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [1,0,0,0,0,0|0,0,3]=4 582 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [1,0,0,0,0,0|0,0,3]=4 583 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [1,0,0,0,0,0|0,0,3]=4 584 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [1,0,0,0,0,0|0,0,3]=4 585 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [1,0,0,0,0,0|0,0,3]=4 586 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,0,0,0,0,0|3,0,0]=4 587 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,0,0,0,0,0|3,0,0]=4 588 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,0,0,0,0,0|3,0,0]=4 589 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,0,0,0,0,0|3,0,0]=4 590 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,0,0,0,0,0|3,0,0]=4 591 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,0,0,0,0,0|3,0,0]=4 592 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [1,0,0,0,0,0|2,0,1]=4 593 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [1,0,0,0,0,0|2,0,1]=4 594 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [1,0,0,0,0,0|2,0,1]=4 595 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [1,0,0,0,0,0|0,0,3]=4 596 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [1,0,0,0,0,0|0,0,3]=4 597 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [1,0,0,0,0,0|0,0,3]=4 598 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [1,0,0,0,0,0|0,0,3]=4 599 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [1,0,0,0,0,0|0,0,3]=4 600 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [1,0,0,0,0,0|0,0,3]=4 601 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|2,0,1]=4 602 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|2,0,1]=4 603 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,0,0,0,0,0|2,0,1]=4 604 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [1,0,0,0,0,0|1,0,2]=4 605 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,0,0,0,0,0|1,0,1]=3 606 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,0,0,0,0,0|1,0,1]=3 607 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,0,0,0,0,0|1,0,1]=3 608 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,0,0,0,0,0|1,0,1]=3 609 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,0,0,0,0,0|1,0,1]=3 610 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,0,0,0,0,0|1,0,1]=3 611 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,0,0,0,0,0|1,0,1]=3 612 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,0,0,0,0,0|1,0,1]=3 613 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [1,0,0,0,0,0|2,0,1]=4 614 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,0,0,0,0,0|1,1,1]=4 615 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,0,0,0,0,0|1,1,1]=4 616 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,0,0,0,0,0|1,1,1]=4 617 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,0,0,0,0,0|1,1,1]=4 618 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 619 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 620 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,0,0,0,0,0|3,0,0]=4 621 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,0,0,0,0,0|3,0,0]=4 622 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,0,0,0,0,0|3,0,0]=4 623 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,0,0,0,0,0|3,0,0]=4 624 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,0,0,0,0,0|3,0,0]=4 625 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,0,0,0,0,0|3,0,0]=4 626 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,0,0,0,0,0|3,0,0]=4 627 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,0,0,0,0,0|3,0,0]=4 628 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [1,0,0,0,0,0|2,0,1]=4 629 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [1,0,0,0,0,0|2,0,1]=4 630 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [1,0,0,0,0,0|2,0,1]=4 631 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [1,0,0,0,0,0|2,0,1]=4 632 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [1,0,0,0,0,0|2,0,1]=4 633 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [1,0,0,0,0,0|2,0,1]=4 634 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [1,0,0,0,0,0|2,0,1]=4 635 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [1,0,0,0,0,0|2,0,1]=4 636 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [1,0,0,0,0,0|0,0,3]=4 637 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [1,0,0,0,0,0|0,0,3]=4 638 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,0,0,0,0,0|1,0,1]=3 639 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,0,0,0,0,0|1,0,1]=3 640 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,0,0,0,0,0|1,0,2]=4 641 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,0,0,0,0,0|3,0,0]=4 642 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|1,0,1]=3 643 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|1,0,1]=3 644 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|1,0,1]=3 645 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 646 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 647 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|2,0,1]=4 648 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|2,0,1]=4 649 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|2,0,1]=4 650 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|3,0,0]=4 651 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|2,0,0]=3 652 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|2,0,0]=3 653 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|2,0,0]=3 654 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|3,0,0]=4 655 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|3,0,0]=4 656 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|3,0,0]=4 657 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|3,0,0]=4 658 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,0,0,0,0,0|3,0,0]=4 659 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|2,0,0]=3 660 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|2,0,0]=3 661 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|3,0,0]=4 662 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|3,0,0]=4 663 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,0,0,0,0,0|3,0,0]=4 664 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,0,0,0,0,0|3,0,0]=4 665 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|1,0,1]=3 666 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|2,0,1]=4 667 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|2,0,1]=4 668 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,0,0,0,0,0|2,0,1]=4 669 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,0,0,0,0,0|2,0,1]=4 670 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,0,0,0,0,0|2,0,1]=4 671 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,0,0,0,0,0|2,0,1]=4 672 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,0,0,0,0,0|2,0,1]=4 673 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,0,0,0,0,0|1,0,2]=4 674 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,0,0,0,0,0|1,0,2]=4 675 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|0,0,1]=2 676 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|0,0,1]=2 677 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|0,0,1]=2 678 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|0,0,1]=2 679 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|1,0,1]=3 680 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|1,0,1]=3 681 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,0,0,0,0,0|1,0,2]=4 682 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,0,0,0,0,0|1,0,2]=4 683 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,0,0,0,0,0|1,0,2]=4 684 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,0,0,0,0,0|1,0,2]=4 685 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,0,0,0,0,0|0,0,3]=4 686 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,0,0,0,0,0|0,0,3]=4 687 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,0,0,0,0,0|2,0,1]=4 688 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,0,0,0,0,0|2,0,1]=4 689 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,0,0,0,0,0|1,0,1]=3 690 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,0,0,0,0,0|1,0,1]=3 691 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,0,0,0,0,0|2,0,1]=4 692 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,0,0,0,0,0|2,0,1]=4 693 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,0,0,0,0,0|1,0,1]=3 694 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,0,0,0,0,0|1,0,1]=3 695 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,0,0,0,0,0|2,0,1]=4 696 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,0,0,0,0,0|2,0,1]=4 697 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,0,0,0,0,0|2,0,1]=4 698 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,0,0,0,0,0|2,0,1]=4 699 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|2,0,1]=4 700 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,0,0,0,0,0|1,0,1]=3 701 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,0,0,0,0,0|2,0,1]=4 702 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,0,0,0,0,0|2,0,1]=4 703 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,0,0,0,0,0|2,0,1]=4 704 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,0,0,0,0,0|2,0,1]=4 705 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|0,1,1]=3 706 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|0,1,1]=3 707 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|1,1,1]=4 708 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|1,1,1]=4 709 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,0,0,0,0,0|1,1,1]=4 710 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,0,0,0,0,0|1,1,1]=4 711 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,0,0,0,0,0|1,1,1]=4 712 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,0,0,0,0,0|1,1,1]=4 713 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,0,0,0,0,0|1,1,1]=4 714 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,0,0,0,0,0|1,1,1]=4 715 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,0,0,0,0,0|1,1,1]=4 716 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,0,0,0,0,0|1,1,1]=4 717 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|2,0,1]=4 718 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|2,0,1]=4 719 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|2,0,1]=4 720 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,0,0,0,0,0|3,0,0]=4 721 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,0,0,0,0,0|3,0,0]=4 722 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,0,0,0,0,0|3,0,0]=4 723 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,0,0,0,0,0|3,0,0]=4 724 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,0,0,0,0,0|3,0,0]=4 725 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,0,0,0,0,0|3,0,0]=4 726 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [1,0,0,0,0,0|2,0,1]=4 727 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,0,0,0,0,0|1,1,1]=4 728 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,0,0,0,0,0|1,1,1]=4 729 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,0,0,0,0,0|3,0,0]=4 730 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,0,0,0,0,0|3,0,0]=4 731 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,0,0,0,0,0|3,0,0]=4 732 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,0,0,0,0,0|3,0,0]=4 733 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,0,0,0,0,0|3,0,0]=4 734 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [1,0,0,0,0,0|2,0,1]=4 735 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [1,0,0,0,0,0|2,0,1]=4 736 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,0,0,0,0,0|2,0,1]=4 737 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,0,0,0,0,0|2,0,1]=4 738 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,0,0,0,0,0|2,0,1]=4 739 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|2,0,1]=4 740 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,0,0,0,0,0|3,0,0]=4 741 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,0,0,0,0,0|3,0,0]=4 742 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,0,0,0,0,0|3,0,0]=4 743 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,0,0,0,0,0|3,0,0]=4 744 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,0,0,0,0,0|1,0,1]=3 745 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,0,0,0,0,0|1,0,1]=3 746 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,0,0,0,0,0|1,0,1]=3 747 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,0,0,0,0,0|1,0,1]=3 748 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,0,0,0,0,0|2,0,1]=4 749 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [1,0,0,0,0,0|2,0,1]=4 750 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [1,0,0,0,0,0|2,0,1]=4 751 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [1,0,0,0,0,0|2,0,1]=4 752 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [1,0,0,0,0,0|2,0,1]=4 753 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [1,0,0,0,0,0|2,0,1]=4 754 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [1,0,0,0,0,0|2,0,1]=4 755 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [1,0,0,0,0,0|2,0,1]=4 756 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,0,0,0,0,0|1,1,1]=4 757 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,0,0,0,0,0|1,1,1]=4 758 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,0,0,0,0,0|3,0,0]=4 759 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,0,0,0,0,0|1,0,1]=3 760 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,0,0,0,0,0|1,0,1]=3 761 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,0,0,0,0,0|1,0,1]=3 762 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,0,0,0,0,0|1,0,1]=3 763 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,0,0,0,0,0|2,0,1]=4 764 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,0,0,0,0,0|2,0,1]=4 765 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [1,0,0,0,0,0|2,0,1]=4 766 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [1,0,0,0,0,0|2,0,1]=4 767 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [1,0,0,0,0,0|2,0,1]=4 768 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [1,0,0,0,0,0|2,0,1]=4 769 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [1,0,0,0,0,0|2,0,1]=4 770 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [1,0,0,0,0,0|2,0,1]=4 771 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,0,0,0,0,0|1,1,1]=4 772 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,0,0,0,0,0|1,1,1]=4 773 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,0,0,0,0,0|2,0,1]=4 774 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,0,0,0,0,0|2,0,1]=4 775 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,0,0,0,0,0|2,0,1]=4 776 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,0,0,0,0,0|2,0,1]=4 777 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|2,0,1]=4 778 B10R0.78 C#CCCC(=O)CCC(=C)C 1458a_100000692101_100000730704 [1,0,0,0,0,0|1,0,2]=4 779 B10R0.78 C#CCCC(=O)CCC(=C)C 1458a_200000688413_100000753159 [1,0,0,0,0,0|1,0,2]=4 780 B10R0.78 C#CCCC(=O)CCC(=O)N 1458a_100011215257_100000753159 [1,0,0,0,0,0|1,0,2]=4 781 B10R0.78 C#CCCC(=O)CNC(=O)C 1458a_100000194580_100000753159 [1,0,0,0,0,0|1,0,2]=4 782 B10R0.78 C#CCCC(=O)COC(=O)C 1458a_100000183556_100000753159 [1,0,0,0,0,0|1,0,2]=4 783 B10R0.78 C#CCCC(=O)CSC(=O)C 1458a_100000049016_100000753159 [1,0,0,0,0,0|1,0,2]=4 784 B10R0.78 C/C=C/CC(=O)CCC(=O)N 1458a_100011215257_100102629194 [1,0,0,0,0,0|1,0,2]=4 785 B10R0.78 C/C=C/CC(=O)CNC(=O)C 1458a_100000194580_100102629194 [1,0,0,0,0,0|1,0,2]=4 786 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [1,0,0,0,0,0|1,0,2]=4 787 B10R0.78 C/C=C/CC(=O)CSC(=O)C 1458a_100000049016_100102629194 [1,0,0,0,0,0|1,0,2]=4 788 B10R0.78 C=C(C)CCC(=O)C#CCC 1458a_100011827653_100000730704 [1,0,0,0,0,0|1,0,2]=4 789 B10R0.78 C=C(C)CCC(=O)C/C=C/C 1458a_200000688413_100102629194 [1,0,0,0,0,0|1,0,2]=4 790 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [1,0,0,0,0,0|1,0,2]=4 791 B10R0.78 C=C(C)CCC(=O)CC#CC 1458a_200000688413_100000748600 [1,0,0,0,0,0|1,0,2]=4 792 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_100121576822_100000730704 [1,0,0,0,0,0|1,0,2]=4 793 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_200000688413_100000070051 [1,0,0,0,0,0|1,0,2]=4 794 B10R0.78 C=C(C)CCC(=O)CCC#N 1458a_100011934036_100000730704 [1,0,0,0,0,0|2,0,1]=4 795 B10R0.78 C=C(C)CCC(=O)CCC#N 1458a_200000688413_100011215226 [1,0,0,0,0,0|2,0,1]=4 796 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [1,0,0,0,0,0|1,0,0]=2 797 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [1,0,0,0,0,0|1,0,0]=2 798 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [1,0,0,0,0,0|2,0,0]=3 799 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [1,0,0,0,0,0|2,0,0]=3 800 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [1,0,0,0,0,0|2,0,0]=3 801 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [1,0,0,0,0,0|2,0,0]=3 802 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [1,0,0,0,0,0|2,0,0]=3 803 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [1,0,0,0,0,0|2,0,0]=3 804 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [1,0,0,0,0,0|2,0,0]=3 805 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [1,0,0,0,0,0|2,0,0]=3 806 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [1,0,0,0,0,0|2,0,0]=3 807 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [1,0,0,0,0,0|2,0,0]=3 808 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [1,0,0,0,0,0|2,0,0]=3 809 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [1,0,0,0,0,0|2,0,0]=3 810 B10R0.78 C=C(C)CCC(=O)NCCF 11a_100000724931_200000688413 [1,0,0,0,0,0|3,0,0]=4 811 B10R0.78 C=C(C)CCC(=O)NCCF 1626a_100000724931_200000688413 [1,0,0,0,0,0|3,0,0]=4 812 B10R0.78 C=C(C)CCC(=O)NCCF 240690a_100000724931_200000688413 [1,0,0,0,0,0|3,0,0]=4 813 B10R0.78 C=C(C)CCC(=O)NCCF 527a_100000724931_200000688413 [1,0,0,0,0,0|3,0,0]=4 814 B10R0.78 C=C(C)CCC(=O)NCCO 240690a_100000210304_200000688413 [1,0,0,0,0,0|3,0,0]=4 815 B10R0.78 C=C(C)CCC(=O)NCCO 527a_100000210304_200000688413 [1,0,0,0,0,0|3,0,0]=4 816 B10R0.78 C=C(C)CCC(=O)NNCC 22a_100000756455_200000688413 [1,0,0,0,0,0|3,0,0]=4 817 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [1,0,0,0,0,0|3,0,0]=4 818 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [1,0,0,0,0,0|3,0,0]=4 819 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [1,0,0,0,0,0|2,0,0]=3 820 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [1,0,0,0,0,0|2,0,0]=3 821 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [1,0,0,0,0,0|2,0,0]=3 822 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [1,0,0,0,0,0|2,0,0]=3 823 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [1,0,0,0,0,0|3,0,0]=4 824 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [1,0,0,0,0,0|3,0,0]=4 825 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [1,0,0,0,0,0|3,0,0]=4 826 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [1,0,0,0,0,0|3,0,0]=4 827 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [1,0,0,0,0,0|3,0,0]=4 828 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [1,0,0,0,0,0|3,0,0]=4 829 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [1,0,0,0,0,0|3,0,0]=4 830 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [1,0,0,0,0,0|3,0,0]=4 831 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [1,0,0,0,0,0|3,0,0]=4 832 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [1,0,0,0,0,0|3,0,0]=4 833 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [1,0,0,0,0,0|3,0,0]=4 834 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [1,0,0,0,0,0|3,0,0]=4 835 B10R0.78 C=C(C)CNC(=O)CSCC 11a_100000765925_100000230394 [1,0,0,0,0,0|3,0,0]=4 836 B10R0.78 C=C(C)CNC(=O)CSCC 1626a_100000765925_100000230394 [1,0,0,0,0,0|3,0,0]=4 837 B10R0.78 C=C(C)CNC(=O)CSCC 240690a_100000765925_100000230394 [1,0,0,0,0,0|3,0,0]=4 838 B10R0.78 C=C(C)CNC(=O)CSCC 527a_100000765925_100000230394 [1,0,0,0,0,0|3,0,0]=4 839 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100000765925_100020643023 [1,0,0,0,0,0|3,0,0]=4 840 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100020643023_100000765925 [1,0,0,0,0,0|3,0,0]=4 841 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100000765925_100020643023 [1,0,0,0,0,0|3,0,0]=4 842 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100020643023_100000765925 [1,0,0,0,0,0|3,0,0]=4 843 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100000765925_100020643023 [1,0,0,0,0,0|3,0,0]=4 844 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100020643023_100000765925 [1,0,0,0,0,0|3,0,0]=4 845 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_100000749702_100000730704 [1,0,0,0,0,0|1,0,2]=4 846 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_200000688413_100000754431 [1,0,0,0,0,0|1,0,2]=4 847 B10R0.78 C=CCCC(=O)CCC(=O)N 1458a_100011215257_100000754431 [1,0,0,0,0,0|1,0,2]=4 848 B10R0.78 C=CCCC(=O)CNC(=O)C 1458a_100000194580_100000754431 [1,0,0,0,0,0|1,0,2]=4 849 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [1,0,0,0,0,0|1,0,2]=4 850 B10R0.78 C=CCCC(=O)CSC(=O)C 1458a_100000049016_100000754431 [1,0,0,0,0,0|1,0,2]=4 851 B10R0.78 C=CCOC(=O)NCC(=O)C 1458a_100000216761_200000210301 [1,0,0,0,0,0|1,0,2]=4 852 B10R0.78 C=CCOC(=O)NCC(=O)[13CH3] 1458a_100000216761_200025704644 [1,0,0,0,0,0|1,0,2]=4 853 B10R0.78 CC#CCC(=O)CCC(=O)N 1458a_100011215257_100000748600 [1,0,0,0,0,0|1,0,2]=4 854 B10R0.78 CC#CCC(=O)CNC(=O)C 1458a_100000194580_100000748600 [1,0,0,0,0,0|1,0,2]=4 855 B10R0.78 CC#CCC(=O)COC(=O)C 1458a_100000183556_100000748600 [1,0,0,0,0,0|1,0,2]=4 856 B10R0.78 CC#CCC(=O)CSC(=O)C 1458a_100000049016_100000748600 [1,0,0,0,0,0|1,0,2]=4 857 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [1,0,0,0,0,0|2,0,1]=4 858 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [1,0,0,0,0,0|2,0,1]=4 859 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [1,0,0,0,0,0|3,0,0]=4 860 B10R0.78 CC(=O)NCC(=O)CCC#N 1458a_100000194580_100011215226 [1,0,0,0,0,0|2,0,1]=4 861 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [1,0,0,0,0,0|2,0,0]=3 862 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [1,0,0,0,0,0|2,0,0]=3 863 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000724931_100000194580 [1,0,0,0,0,0|3,0,0]=4 864 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000725713_100015343762 [1,0,0,0,0,0|3,0,0]=4 865 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000724931_100000194580 [1,0,0,0,0,0|3,0,0]=4 866 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000725713_100015343762 [1,0,0,0,0,0|3,0,0]=4 867 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000724931_100000194580 [1,0,0,0,0,0|3,0,0]=4 868 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000725713_100015343762 [1,0,0,0,0,0|3,0,0]=4 869 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000724931_100000194580 [1,0,0,0,0,0|3,0,0]=4 870 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000725713_100103153847 [1,0,0,0,0,0|3,0,0]=4 871 B10R0.78 CC(=O)NCC(=O)NCCO 240690a_100000210304_100000194580 [1,0,0,0,0,0|3,0,0]=4 872 B10R0.78 CC(=O)NCC(=O)NCCO 527a_100000210304_100000194580 [1,0,0,0,0,0|3,0,0]=4 873 B10R0.78 CC(=O)OCC(=O)CCC#N 1458a_100000183556_100011215226 [1,0,0,0,0,0|2,0,1]=4 874 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [1,0,0,0,0,0|2,0,0]=3 875 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [1,0,0,0,0,0|2,0,0]=3 876 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100000036994_100015361967 [1,0,0,0,0,0|3,0,0]=4 877 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100015361967_100000036994 [1,0,0,0,0,0|3,0,0]=4 878 B10R0.78 CC(=O)OCC(=O)NCCF 1626a_100000724931_100000183556 [1,0,0,0,0,0|3,0,0]=4 879 B10R0.78 CC(=O)OCC(=O)NCCF 240690a_100000724931_100000183556 [1,0,0,0,0,0|3,0,0]=4 880 B10R0.78 CC(=O)OCC(=O)NCCF 527a_100000724931_100000183556 [1,0,0,0,0,0|3,0,0]=4 881 B10R0.78 CC(=O)OCC(=O)NCCO 240690a_100000210304_100000183556 [1,0,0,0,0,0|3,0,0]=4 882 B10R0.78 CC(=O)OCC(=O)NCCO 527a_100000210304_100000183556 [1,0,0,0,0,0|3,0,0]=4 883 B10R0.78 CC(=O)SCC(=O)CCC#N 1458a_100000049016_100011215226 [1,0,0,0,0,0|2,0,1]=4 884 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [1,0,0,0,0,0|2,0,0]=3 885 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [1,0,0,0,0,0|2,0,0]=3 886 B10R0.78 CC(=O)SCC(=O)NCCF 11a_100000724931_100000049016 [1,0,0,0,0,0|3,0,0]=4 887 B10R0.78 CC(=O)SCC(=O)NCCF 1626a_100000724931_100000049016 [1,0,0,0,0,0|3,0,0]=4 888 B10R0.78 CC(=O)SCC(=O)NCCF 240690a_100000724931_100000049016 [1,0,0,0,0,0|3,0,0]=4 889 B10R0.78 CC(=O)SCC(=O)NCCO 240690a_100000210304_100000049016 [1,0,0,0,0,0|3,0,0]=4 890 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [1,0,0,0,0,0|2,0,1]=4 891 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [1,0,0,0,0,0|2,0,1]=4 892 B10R0.78 CC=CCC(=O)CCC(=O)N 1458a_100011215257_100000070051 [1,0,0,0,0,0|1,0,2]=4 893 B10R0.78 CC=CCC(=O)CNC(=O)C 1458a_100000194580_100000070051 [1,0,0,0,0,0|1,0,2]=4 894 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [1,0,0,0,0,0|1,0,2]=4 895 B10R0.78 CC=CCC(=O)CSC(=O)C 1458a_100000049016_100000070051 [1,0,0,0,0,0|1,0,2]=4 896 B10R0.78 CCCCC(=NNC(=O)C)C 4a_100000189765_100000210087 [1,0,0,0,0,0|3,0,0]=4 897 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [1,0,0,0,0,0|1,0,1]=3 898 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [1,0,0,0,0,0|1,0,1]=3 899 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,0,0,0,0,0|1,0,0]=2 900 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [1,0,0,0,0,0|1,0,1]=3 901 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [1,0,0,0,0,0|1,0,1]=3 902 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [1,0,0,0,0,0|0,0,2]=3 903 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [1,0,0,0,0,0|2,0,0]=3 904 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [1,0,0,0,0,0|2,0,0]=3 905 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [1,0,0,0,0,0|1,0,0]=2 906 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [1,0,0,0,0,0|2,0,0]=3 907 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [1,0,0,0,0,0|1,0,0]=2 908 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [1,0,0,0,0,0|2,0,1]=4 909 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [1,0,0,0,0,0|1,0,0]=2 910 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [1,0,0,0,0,0|2,0,1]=4 911 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [1,0,0,0,0,0|2,0,0]=3 912 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [1,0,0,0,0,0|2,0,0]=3 913 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [1,0,0,0,0,0|2,0,0]=3 914 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [1,0,0,0,0,0|2,0,1]=4 915 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [1,0,0,0,0,0|2,0,1]=4 916 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [1,0,0,0,0,0|2,0,1]=4 917 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [1,0,0,0,0,0|2,0,1]=4 918 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [1,0,0,0,0,0|1,0,2]=4 919 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [1,0,0,0,0,0|1,0,2]=4 920 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [1,0,0,0,0,0|1,0,2]=4 921 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [1,0,0,0,0,0|2,0,0]=3 922 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [1,0,0,0,0,0|2,0,0]=3 923 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,0,0,0,0,0|1,0,1]=3 924 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,0,0,0,0,0|1,0,1]=3 925 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,0,0,0,0,0|2,0,1]=4 926 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,0,0,0,0,0|2,0,0]=3 927 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [1,0,0,0,0,0|3,0,0]=4 928 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [1,0,0,0,0,0|3,0,0]=4 929 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [1,0,0,0,0,0|3,0,0]=4 930 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [1,0,0,0,0,0|3,0,0]=4 931 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [1,0,0,0,0,0|2,0,1]=4 932 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [1,0,0,0,0,0|2,0,1]=4 933 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [1,0,0,0,0,0|2,0,1]=4 934 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [1,0,0,0,0,0|2,0,1]=4 935 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [1,0,0,0,0,0|1,0,0]=2 936 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [1,0,0,0,0,0|2,0,0]=3 937 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [1,0,0,0,0,0|2,0,0]=3 938 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [1,0,0,0,0,0|1,0,0]=2 939 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [1,0,0,0,0,0|2,0,1]=4 940 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [1,0,0,0,0,0|2,0,1]=4 941 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [1,0,0,0,0,0|2,0,1]=4 942 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [1,0,0,0,0,0|2,0,1]=4 943 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [1,0,0,0,0,0|1,0,2]=4 944 B10R0.78 CCCNC(=O)CCN(C)C 11a_100020643023_100000689311 [1,0,0,0,0,0|3,0,0]=4 945 B10R0.78 CCCNC(=O)CCN(C)C 240690a_100020643023_100000689311 [1,0,0,0,0,0|3,0,0]=4 946 B10R0.78 CCCNC(=O)CCN(C)C 527a_100020643023_100000689311 [1,0,0,0,0,0|3,0,0]=4 947 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 11a_100020643023_200000064761 [1,0,0,0,0,0|3,0,0]=4 948 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 1626a_100020643023_200000064761 [1,0,0,0,0,0|3,0,0]=4 949 B10R0.78 CCCNC(=O)CC[N+](=O)[O-] 240690a_100020643023_200000064761 [1,0,0,0,0,0|3,0,0]=4 950 B10R0.78 CCCNC(=O)CC[S+](C)C 11a_100020643023_100009452791 [1,0,0,0,0,0|3,0,0]=4 951 B10R0.78 CCCNC(=O)CC[S+](C)C 1626a_100020643023_100009452791 [1,0,0,0,0,0|3,0,0]=4 952 B10R0.78 CCCNC(=O)CC[S+](C)C 240690a_100020643023_100009452791 [1,0,0,0,0,0|3,0,0]=4 953 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [1,0,0,0,0,0|2,0,0]=3 954 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [1,0,0,0,0,0|2,0,0]=3 955 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [1,0,0,0,0,0|2,0,0]=3 956 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [1,0,0,0,0,0|2,0,0]=3 957 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [1,0,0,0,0,0|2,0,0]=3 958 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [1,0,0,0,0,0|2,0,0]=3 959 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [1,0,0,0,0,0|2,0,0]=3 960 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [1,0,0,0,0,0|2,0,0]=3 961 B10R0.78 CCCNC(=O)CNC(=O)N 240690a_100020643023_100000184981 [1,0,0,0,0,0|3,0,0]=4 962 B10R0.78 CCCNC(=O)CNC(=O)N 527a_100020643023_100000184981 [1,0,0,0,0,0|3,0,0]=4 963 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [1,0,0,0,0,0|2,0,0]=3 964 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [1,0,0,0,0,0|2,0,0]=3 965 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [1,0,0,0,0,0|2,0,0]=3 966 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [1,0,0,0,0,0|2,0,0]=3 967 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [1,0,0,0,0,0|2,0,0]=3 968 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [1,0,0,0,0,0|2,0,0]=3 969 B10R0.78 CCCNC(=O)CSC(=O)N 240690a_100020643023_200015941356 [1,0,0,0,0,0|3,0,0]=4 970 B10R0.78 CCCNC(=O)NCC(=O)N 2708a_100020643023_100000711301 [1,0,0,0,0,0|3,0,0]=4 971 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100000711301_100020643023 [1,0,0,0,0,0|3,0,0]=4 972 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100020643023_100000711301 [1,0,0,0,0,0|3,0,0]=4 973 B10R0.78 CCCNC(=O)NCC(=O)N 512a_100020643023_100000711301 [1,0,0,0,0,0|3,0,0]=4 974 B10R0.78 CCCNC(=O)NNC(=O)C 273464a_100020643023_100000189765 [1,0,0,0,0,0|3,0,0]=4 975 B10R0.78 CCCNC(=O)NNC(=O)C 512a_100000189765_100020643023 [1,0,0,0,0,0|3,0,0]=4 976 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [1,0,0,0,0,0|2,0,1]=4 977 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [1,0,0,0,0,0|2,0,1]=4 978 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [1,0,0,0,0,0|2,0,1]=4 979 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [1,0,0,0,0,0|2,0,1]=4 980 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [1,0,0,0,0,0|2,0,1]=4 981 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [1,0,0,0,0,0|1,0,0]=2 982 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [1,0,0,0,0,0|3,0,0]=4 983 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [1,0,0,0,0,0|2,0,1]=4 984 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [1,0,0,0,0,0|2,0,1]=4 985 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [1,0,0,0,0,0|2,0,1]=4 986 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [1,0,0,0,0,0|2,0,1]=4 987 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [1,0,0,0,0,0|3,0,0]=4 988 B10R0.78 CCNCC(=O)NNC(=O)C 2230a_100015525214_100000181415 [1,0,0,0,0,0|3,0,0]=4 989 B10R0.78 CCNNC(=O)CCC(=O)N 22a_100000756455_100011215257 [1,0,0,0,0,0|3,0,0]=4 990 B10R0.78 CCNNC(=O)CNC(=O)C 22a_100000756455_100000194580 [1,0,0,0,0,0|3,0,0]=4 991 B10R0.78 CCNNC(=O)COC(=O)C 22a_100000756455_100000183556 [1,0,0,0,0,0|3,0,0]=4 992 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [1,0,0,0,0,0|2,0,1]=4 993 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [1,0,0,0,0,0|2,0,1]=4 994 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [1,0,0,0,0,0|1,0,2]=4 995 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [1,0,0,0,0,0|2,0,0]=3 996 B10R0.78 CCOCC(=O)NCC(=O)N 11a_100000711301_100000211967 [1,0,0,0,0,0|3,0,0]=4 997 B10R0.78 CCOCC(=O)NCC(=O)N 240690a_100000711301_100000211967 [1,0,0,0,0,0|3,0,0]=4 998 B10R0.78 CCOCC(=O)NCC(=O)N 527a_100000711301_100000211967 [1,0,0,0,0,0|3,0,0]=4 999 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000189765_100000211967 [1,0,0,0,0,0|3,0,0]=4 1000 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000216846_100000070787 [1,0,0,0,0,0|3,0,0]=4 1001 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [1,0,0,0,0,0|2,0,1]=4 1002 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [1,0,0,0,0,0|2,0,1]=4 1003 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [1,0,0,0,0,0|1,0,2]=4 1004 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [1,0,0,0,0,0|2,0,0]=3 1005 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [1,0,0,0,0,0|2,0,0]=3 1006 B10R0.78 CCSCC(=O)NCC(=O)N 11a_100000711301_100000230394 [1,0,0,0,0,0|3,0,0]=4 1007 B10R0.78 CCSCC(=O)NCC(=O)N 240690a_100000711301_100000230394 [1,0,0,0,0,0|3,0,0]=4 1008 B10R0.78 CCSCC(=O)NCC(=O)N 527a_100000711301_100000230394 [1,0,0,0,0,0|3,0,0]=4 1009 B10R0.78 CCSCC(=O)NNC(=O)C 22a_100000189765_100000230394 [1,0,0,0,0,0|3,0,0]=4 1010 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000181415_100000210202 [1,0,0,0,0,0|3,0,0]=4 1011 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000210202_100000181415 [1,0,0,0,0,0|3,0,0]=4 1012 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [1,0,0,0,0,0|3,0,0]=4 1013 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [1,0,0,0,0,0|2,0,1]=4 1014 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [1,0,0,0,0,0|2,0,1]=4 1015 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [1,0,0,0,0,0|2,0,0]=3 1016 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [1,0,0,0,0,0|2,0,1]=4 1017 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [1,0,0,0,0,0|2,0,1]=4 1018 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [1,0,0,0,0,0|1,0,2]=4 1019 B10R0.78 COCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000233755 [1,0,0,0,0,0|3,0,0]=4 1020 B10R0.78 COCCC(=O)CC[S+](C)C 1458a_100009452791_100000233755 [1,0,0,0,0,0|3,0,0]=4 1021 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [1,0,0,0,0,0|2,0,0]=3 1022 B10R0.78 COCCC(=O)CNC(=O)N 1458a_100000184981_100000233755 [1,0,0,0,0,0|3,0,0]=4 1023 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [1,0,0,0,0,0|2,0,0]=3 1024 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [1,0,0,0,0,0|2,0,0]=3 1025 B10R0.78 COCCC(=O)NCC(=O)N 11a_100000711301_100000749529 [1,0,0,0,0,0|3,0,0]=4 1026 B10R0.78 COCCC(=O)NCC(=O)N 240690a_100000711301_100000749529 [1,0,0,0,0,0|3,0,0]=4 1027 B10R0.78 COCCC(=O)NCC(=O)N 527a_100000711301_100000749529 [1,0,0,0,0,0|3,0,0]=4 1028 B10R0.78 COCCC(=O)NNC(=O)C 22a_100000189765_100000749529 [1,0,0,0,0,0|3,0,0]=4 1029 B10R0.78 COCCC(=O)NNC(=O)C 22a_100011260505_100000070787 [1,0,0,0,0,0|3,0,0]=4 1030 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [1,0,0,0,0,0|3,0,0]=4 1031 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [1,0,0,0,0,0|3,0,0]=4 1032 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [1,0,0,0,0,0|3,0,0]=4 1033 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [1,0,0,0,0,0|2,0,1]=4 1034 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [1,0,0,0,0,0|2,0,1]=4 1035 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [1,0,0,0,0,0|2,0,0]=3 1036 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [1,0,0,0,0,0|2,0,1]=4 1037 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [1,0,0,0,0,0|2,0,1]=4 1038 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [1,0,0,0,0,0|1,0,2]=4 1039 B10R0.78 CSCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000751147 [1,0,0,0,0,0|3,0,0]=4 1040 B10R0.78 CSCCC(=O)CC[S+](C)C 1458a_100009452791_100000751147 [1,0,0,0,0,0|3,0,0]=4 1041 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [1,0,0,0,0,0|2,0,0]=3 1042 B10R0.78 CSCCC(=O)CNC(=O)N 1458a_100000184981_100000751147 [1,0,0,0,0,0|3,0,0]=4 1043 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [1,0,0,0,0,0|2,0,0]=3 1044 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [1,0,0,0,0,0|2,0,0]=3 1045 B10R0.78 CSCCC(=O)NCC(=O)N 11a_100000711301_100000174002 [1,0,0,0,0,0|3,0,0]=4 1046 B10R0.78 CSCCC(=O)NCC(=O)N 240690a_100000711301_100000174002 [1,0,0,0,0,0|3,0,0]=4 1047 B10R0.78 CSCCC(=O)NCC(=O)N 527a_100000711301_100000174002 [1,0,0,0,0,0|3,0,0]=4 1048 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [1,0,0,0,0,0|3,0,0]=4 1049 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [1,0,0,0,0,0|3,0,0]=4 1050 B10R0.78 C[S+](C)CCC(=O)CCCF 1458a_100009452791_100011934791 [1,0,0,0,0,0|3,0,0]=4 1051 B10R0.78 C[S+](C)CCC(=O)CCCO 1458a_100009452791_100011215043 [1,0,0,0,0,0|3,0,0]=4 1052 B10R0.78 N#CCCC(=O)CCC(=O)N 1458a_100011215257_100011215226 [1,0,0,0,0,0|2,0,1]=4 1053 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [1,0,0,0,0,0|2,0,0]=3 1054 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [1,0,0,0,0,0|2,0,0]=3 1055 B10R0.78 NC(=O)CCC(=O)NCCF 240690a_100000724931_100011215257 [1,0,0,0,0,0|3,0,0]=4 1056 B10R0.78 NC(=O)CCC(=O)NCCF 527a_100000724931_100011215257 [1,0,0,0,0,0|3,0,0]=4 1057 B10R0.78 NC(=O)CCC(=O)NCCO 240690a_100000210304_100011215257 [1,0,0,0,0,0|3,0,0]=4 1058 B10R0.78 NC(=O)CCC(=O)NCCO 527a_100000210304_100011215257 [1,0,0,0,0,0|3,0,0]=4 1059 B10R0.78 NC(=O)NCC(=O)CCCF 1458a_100000184981_100011934791 [1,0,0,0,0,0|3,0,0]=4 1060 B10R0.78 NC(=O)NCC(=O)CCCO 1458a_100000184981_100011215043 [1,0,0,0,0,0|3,0,0]=4 1061 B10R0.78 O=C(CCCF)CC[N+](=O)[O-] 1458a_200000064761_100011934791 [1,0,0,0,0,0|3,0,0]=4 1062 B10R0.78 O=C(CCCO)CC[N+](=O)[O-] 1458a_200000064761_100011215043 [1,0,0,0,0,0|3,0,0]=4 1063 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [1,0,0,0,0,0|3,0,0]=4 1064 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,0,0,0,0,0|1,0,2]=4 1065 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,0,0,0,0,0|1,0,2]=4 1066 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [1,0,0,0,0,0|1,0,2]=4 1067 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [1,0,0,0,0,0|1,0,2]=4 1068 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [1,0,0,0,0,0|1,0,2]=4 1069 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [1,0,0,0,0,0|1,0,2]=4 1070 B10R0.91 C/C=C/CC(=O)C#CCCC 1458a_200011218047_100102629194 [1,0,0,0,0,0|1,0,2]=4 1071 B10R0.91 C/C=C/CC(=O)C=CCCC 1458a_100000212230_100102629194 [1,0,0,0,0,0|1,0,2]=4 1072 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,0,0,0,0,0|1,0,1]=3 1073 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [1,0,0,0,0,0|2,0,1]=4 1074 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [1,0,0,0,0,0|2,0,1]=4 1075 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [1,0,0,0,0,0|2,0,1]=4 1076 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [1,0,0,0,0,0|2,0,1]=4 1077 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [1,0,0,0,0,0|2,0,1]=4 1078 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [1,0,0,0,0,0|2,0,1]=4 1079 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [1,0,0,0,0,0|2,0,1]=4 1080 B10R0.91 C=CCCC(=O)C#CCCC 1458a_200011218047_100000754431 [1,0,0,0,0,0|1,0,2]=4 1081 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [1,0,0,0,0,0|1,0,2]=4 1082 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,0,0,0,0,0|1,0,1]=3 1083 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,0,0,0,0,0|1,0,1]=3 1084 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [1,0,0,0,0,0|2,0,1]=4 1085 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [1,0,0,0,0,0|2,0,1]=4 1086 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [1,0,0,0,0,0|2,0,1]=4 1087 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [1,0,0,0,0,0|2,0,1]=4 1088 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [1,0,0,0,0,0|2,0,1]=4 1089 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [1,0,0,0,0,0|2,0,1]=4 1090 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [1,0,0,0,0,0|2,0,1]=4 1091 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [1,0,0,0,0,0|2,0,1]=4 1092 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [1,0,0,0,0,0|2,0,1]=4 1093 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [1,0,0,0,0,0|2,0,1]=4 1094 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [1,0,0,0,0,0|2,0,1]=4 1095 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [1,0,0,0,0,0|2,0,1]=4 1096 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,0,0,0,0,0|1,0,1]=3 1097 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,0,0,0,0,0|1,0,1]=3 1098 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,0,0,0,0,0|1,0,1]=3 1099 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,0,0,0,0,0|1,0,1]=3 1100 B10R0.91 C=CCCC(=O)NCCCF 11a_100015189416_100000749702 [1,0,0,0,0,0|2,0,1]=4 1101 B10R0.91 C=CCCC(=O)NCCCF 1626a_100015189416_100000749702 [1,0,0,0,0,0|2,0,1]=4 1102 B10R0.91 C=CCCC(=O)NCCCF 240690a_100015189416_100000749702 [1,0,0,0,0,0|2,0,1]=4 1103 B10R0.91 C=CCCC(=O)NCCCF 527a_100015189416_100000749702 [1,0,0,0,0,0|2,0,1]=4 1104 B10R0.91 C=CCCC(=O)NCCCO 240690a_100000182051_100000749702 [1,0,0,0,0,0|2,0,1]=4 1105 B10R0.91 C=CCCC(=O)NCCCO 527a_100000182051_100000749702 [1,0,0,0,0,0|2,0,1]=4 1106 B10R0.91 C=CCCC(=O)NCCOC 1626a_100000209980_100000749702 [1,0,0,0,0,0|2,0,1]=4 1107 B10R0.91 C=CCCC(=O)NCCOC 240690a_100000209980_100000749702 [1,0,0,0,0,0|2,0,1]=4 1108 B10R0.91 C=CCCC(=O)NCCOC 527a_100000209980_100000749702 [1,0,0,0,0,0|2,0,1]=4 1109 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [1,0,0,0,0,0|2,0,1]=4 1110 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [1,0,0,0,0,0|2,0,1]=4 1111 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [1,0,0,0,0,0|2,0,1]=4 1112 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [1,0,0,0,0,0|2,0,1]=4 1113 B10R0.91 C=CCCC(=O)NNCCC 22a_100000740057_100000749702 [1,0,0,0,0,0|2,0,1]=4 1114 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [1,0,0,0,0,0|1,0,2]=4 1115 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [1,0,0,0,0,0|1,0,2]=4 1116 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,0,0,0,0,0|2,0,1]=4 1117 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,0,0,0,0,0|2,0,1]=4 1118 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,0,0,0,0,0|2,0,1]=4 1119 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [1,0,0,0,0,0|2,0,1]=4 1120 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [1,0,0,0,0,0|2,0,1]=4 1121 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [1,0,0,0,0,0|2,0,1]=4 1122 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [1,0,0,0,0,0|2,0,1]=4 1123 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [1,0,0,0,0,0|2,0,1]=4 1124 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,0,0,0,0,0|1,0,2]=4 1125 B10R0.91 CC=CCC(=O)C#CCCC 1458a_200011218047_100000070051 [1,0,0,0,0,0|1,0,2]=4 1126 B10R0.91 CC=CCC(=O)C=CCCC 1458a_100000212230_100000070051 [1,0,0,0,0,0|1,0,2]=4 1127 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,0,0,0,0,0|1,0,1]=3 1128 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,0,0,0,0,0|1,0,1]=3 1129 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [1,0,0,0,0,0|2,0,1]=4 1130 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [1,0,0,0,0,0|2,0,1]=4 1131 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [1,0,0,0,0,0|2,0,1]=4 1132 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [1,0,0,0,0,0|2,0,1]=4 1133 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [1,0,0,0,0,0|2,0,1]=4 1134 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [1,0,0,0,0,0|2,0,1]=4 1135 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [1,0,0,0,0,0|2,0,1]=4 1136 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [1,0,0,0,0,0|2,0,1]=4 1137 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [1,0,0,0,0,0|2,0,1]=4 1138 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [1,0,0,0,0,0|2,0,1]=4 1139 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [1,0,0,0,0,0|2,0,1]=4 1140 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [1,0,0,0,0,0|2,0,1]=4 1141 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [1,0,0,0,0,0|1,0,1]=3 1142 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [1,0,0,0,0,0|1,0,1]=3 1143 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [1,0,0,0,0,0|1,0,1]=3 1144 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [1,0,0,0,0,0|1,0,1]=3 1145 B10R0.91 CC=CCC(=O)NCCCF 11a_100015189416_100121576822 [1,0,0,0,0,0|2,0,1]=4 1146 B10R0.91 CC=CCC(=O)NCCCF 1626a_100015189416_100121576822 [1,0,0,0,0,0|2,0,1]=4 1147 B10R0.91 CC=CCC(=O)NCCCF 240690a_100015189416_100121576822 [1,0,0,0,0,0|2,0,1]=4 1148 B10R0.91 CC=CCC(=O)NCCCF 527a_100015189416_100121576822 [1,0,0,0,0,0|2,0,1]=4 1149 B10R0.91 CC=CCC(=O)NCCCO 240690a_100000182051_100121576822 [1,0,0,0,0,0|2,0,1]=4 1150 B10R0.91 CC=CCC(=O)NCCCO 527a_100000182051_100121576822 [1,0,0,0,0,0|2,0,1]=4 1151 B10R0.91 CC=CCC(=O)NCCOC 1626a_100000209980_100121576822 [1,0,0,0,0,0|2,0,1]=4 1152 B10R0.91 CC=CCC(=O)NCCOC 240690a_100000209980_100121576822 [1,0,0,0,0,0|2,0,1]=4 1153 B10R0.91 CC=CCC(=O)NCCOC 527a_100000209980_100121576822 [1,0,0,0,0,0|2,0,1]=4 1154 B10R0.91 CC=CCC(=O)NCCSC 11a_100020590264_100121576822 [1,0,0,0,0,0|2,0,1]=4 1155 B10R0.91 CC=CCC(=O)NCCSC 1626a_100020590264_100121576822 [1,0,0,0,0,0|2,0,1]=4 1156 B10R0.91 CC=CCC(=O)NCCSC 240690a_100020590264_100121576822 [1,0,0,0,0,0|2,0,1]=4 1157 B10R0.91 CC=CCC(=O)NCCSC 527a_100020590264_100121576822 [1,0,0,0,0,0|2,0,1]=4 1158 B10R0.91 CC=CCC(=O)NNCCC 22a_100000740057_100121576822 [1,0,0,0,0,0|2,0,1]=4 1159 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [1,0,0,0,0,0|3,0,0]=4 1160 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [1,0,0,0,0,0|1,0,2]=4 1161 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [1,0,0,0,0,0|2,0,1]=4 1162 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [1,0,0,0,0,0|2,0,1]=4 1163 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,0,0,0,0,0|1,0,2]=4 1164 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [1,0,0,0,0,0|2,0,1]=4 1165 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [1,0,0,0,0,0|2,0,1]=4 1166 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,0,0,0,0,0|2,0,1]=4 1167 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,0,0,0,0,0|2,0,1]=4 1168 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,0,0,0,0,0|2,0,1]=4 1169 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,0,0,0,0,0|2,0,1]=4 1170 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,0,0,0,0,0|2,0,1]=4 1171 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,0,0,0,0,0|2,0,1]=4 1172 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,0,0,0,0,0|2,0,1]=4 1173 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,0,0,0,0,0|2,0,1]=4 1174 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,0,0,0,0,0|2,0,1]=4 1175 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,0,0,0,0,0|2,0,1]=4 1176 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,0,0,0,0,0|2,0,1]=4 1177 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,0,0,0,0,0|2,0,1]=4 1178 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [1,0,0,0,0,0|2,0,1]=4 1179 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [1,0,0,0,0,0|2,0,1]=4 1180 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [1,0,0,0,0,0|2,0,1]=4 1181 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [1,0,0,0,0,0|2,0,1]=4 1182 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [1,0,0,0,0,0|2,0,1]=4 1183 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [1,0,0,0,0,0|2,0,1]=4 1184 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [1,0,0,0,0,0|2,0,1]=4 1185 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [1,0,0,0,0,0|2,0,1]=4 1186 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [1,0,0,0,0,0|2,0,1]=4 1187 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [1,0,0,0,0,0|2,0,1]=4 1188 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [1,0,0,0,0,0|2,0,1]=4 1189 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [1,0,0,0,0,0|2,0,1]=4 1190 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [1,0,0,0,0,0|2,0,1]=4 1191 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [1,0,0,0,0,0|2,0,1]=4 1192 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,0,0,0,0,0|2,0,1]=4 1193 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,0,0,0,0,0|2,0,1]=4 1194 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,0,0,0,0,0|1,0,1]=3 1195 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,0,0,0,0,0|1,0,1]=3 1196 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,0,0,0,0,0|2,0,1]=4 1197 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,0,0,0,0,0|1,0,2]=4 1198 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,0,0,0,0,0|2,0,0]=3 1199 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,0,0,0,0,0|2,0,0]=3 1200 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,0,0,0,0,0|2,0,0]=3 1201 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,0,0,0,0,0|2,0,0]=3 1202 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,0,0,0,0,0|2,0,1]=4 1203 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,0,0,0,0,0|2,0,1]=4 1204 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,0,0,0,0,0|2,0,1]=4 1205 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,0,0,0,0,0|2,0,1]=4 1206 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,0,0,0,0,0|2,0,1]=4 1207 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,0,0,0,0,0|2,0,1]=4 1208 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,0,0,0,0,0|2,0,1]=4 1209 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,0,0,0,0,0|2,0,1]=4 1210 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,0,0,0,0,0|2,0,1]=4 1211 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,0,0,0,0,0|2,0,1]=4 1212 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [1,0,0,0,0,0|2,0,1]=4 1213 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [1,0,0,0,0,0|2,0,1]=4 1214 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [1,0,0,0,0,0|2,0,1]=4 1215 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [1,0,0,0,0,0|2,0,1]=4 1216 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,0,0,0,0,0|1,0,1]=3 1217 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,0,0,0,0,0|1,0,1]=3 1218 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,0,0,0,0,0|1,0,1]=3 1219 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,0,0,0,0,0|1,0,1]=3 1220 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,0,0,0,0,0|2,0,0]=3 1221 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,0,0,0,0,0|2,0,0]=3 1222 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,0,0,0,0,0|2,0,0]=3 1223 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,0,0,0,0,0|2,0,0]=3 1224 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,0,0,0,0,0|2,0,0]=3 1225 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,0,0,0,0,0|2,0,0]=3 1226 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,0,0,0,0,0|2,0,0]=3 1227 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,0,0,0,0,0|2,0,0]=3 1228 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [1,0,0,0,0,0|2,0,1]=4 1229 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,0,0,0,0,0|2,0,1]=4 1230 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,0,0,0,0,0|2,0,1]=4 1231 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,0,0,0,0,0|2,0,1]=4 1232 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,0,0,0,0,0|2,0,1]=4 1233 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,0,0,0,0,0|2,0,1]=4 1234 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [1,0,0,0,0,0|2,0,1]=4 1235 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [1,0,0,0,0,0|2,0,1]=4 1236 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [1,0,0,0,0,0|2,0,1]=4 1237 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [1,0,0,0,0,0|2,0,1]=4 1238 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [1,0,0,0,0,0|2,0,1]=4 1239 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [1,0,0,0,0,0|2,0,1]=4 1240 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [1,0,0,0,0,0|2,0,1]=4 1241 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [1,0,0,0,0,0|2,0,1]=4 1242 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [1,0,0,0,0,0|2,0,1]=4 1243 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [1,0,0,0,0,0|2,0,1]=4 1244 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [1,0,0,0,0,0|2,0,1]=4 1245 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [1,0,0,0,0,0|2,0,1]=4 1246 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [1,0,0,0,0,0|1,0,1]=3 1247 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [1,0,0,0,0,0|1,0,1]=3 1248 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [1,0,0,0,0,0|1,0,1]=3 1249 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [1,0,0,0,0,0|1,0,1]=3 1250 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [1,0,0,0,0,0|2,0,1]=4 1251 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [1,0,0,0,0,0|2,0,1]=4 1252 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,0,0,0,0,0|1,0,2]=4 1253 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,0,0,0,0,0|1,0,2]=4 1254 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,0,0,0,0,0|1,0,2]=4 1255 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,0,0,0,0,0|1,0,2]=4 1256 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [1,0,0,0,0,0|3,0,0]=4 1257 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [1,0,0,0,0,0|3,0,0]=4 1258 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,0,0,0,0,0|2,0,1]=4 1259 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [1,0,0,0,0,0|2,0,1]=4 1260 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,0,0,0,0,0|3,0,0]=4 1261 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,0,0,0,0,0|3,0,0]=4 1262 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,0,0,0,0,0|3,0,0]=4 1263 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,0,0,0,0,0|3,0,0]=4 1264 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [1,0,0,0,0,0|2,0,1]=4 1265 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [1,0,0,0,0,0|2,0,1]=4 1266 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,0,0,0,0,0|3,0,0]=4 1267 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,0,0,0,0,0|3,0,0]=4 1268 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,0,0,0,0,0|3,0,0]=4 1269 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,0,0,0,0,0|3,0,0]=4 1270 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [1,0,0,0,0,0|2,0,1]=4 1271 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [1,0,0,0,0,0|2,0,1]=4 1272 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,0,0,0,0,0|3,0,0]=4 1273 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,0,0,0,0,0|3,0,0]=4 1274 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,0,0,0,0,0|3,0,0]=4 1275 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,0,0,0,0,0|3,0,0]=4 1276 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,0,0,0,0,0|3,0,0]=4 1277 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,0,0,0,0,0|3,0,0]=4 1278 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,0,0,0,0,0|3,0,0]=4 1279 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,0,0,0,0,0|3,0,0]=4 1280 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [1,0,0,0,0,0|3,0,0]=4 1281 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [1,0,0,0,0,0|3,0,0]=4 1282 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [1,0,0,0,0,0|3,0,0]=4 1283 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [1,0,0,0,0,0|3,0,0]=4 1284 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [1,0,0,0,0,0|3,0,0]=4 1285 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [1,0,0,0,0,0|3,0,0]=4 1286 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [1,0,0,0,0,0|3,0,0]=4 1287 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [1,0,0,0,0,0|3,0,0]=4 1288 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [1,0,0,0,0,0|3,0,0]=4 1289 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [1,0,0,0,0,0|3,0,0]=4 1290 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,0,0,0,0,0|3,0,0]=4 1291 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,0,0,0,0,0|3,0,0]=4 1292 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,0,0,0,0,0|3,0,0]=4 1293 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,0,0,0,0,0|3,0,0]=4 1294 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [1,0,0,0,0,0|3,0,0]=4 1295 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [1,0,0,0,0,0|3,0,0]=4 1296 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [1,0,0,0,0,0|3,0,0]=4 1297 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [1,0,0,0,0,0|3,0,0]=4 1298 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [1,0,0,0,0,0|3,0,0]=4 1299 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [1,0,0,0,0,0|3,0,0]=4 1300 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,0,0,0,0,0|3,0,0]=4 1301 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,0,0,0,0,0|3,0,0]=4 1302 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,0,0,0,0,0|3,0,0]=4 1303 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [1,0,0,0,0,0|3,0,0]=4 1304 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [1,0,0,0,0,0|3,0,0]=4 1305 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [1,0,0,0,0,0|3,0,0]=4 1306 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [1,0,0,0,0,0|3,0,0]=4 1307 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [1,0,0,0,0,0|3,0,0]=4 1308 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [1,0,0,0,0,0|3,0,0]=4 1309 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,0,0,0,0,0|3,0,0]=4 1310 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [1,0,0,0,0,0|3,0,0]=4 1311 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [1,0,0,0,0,0|3,0,0]=4 1312 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [1,0,0,0,0,0|3,0,0]=4 1313 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [1,0,0,0,0,0|3,0,0]=4 1314 B12R0.44 C=C(C)CCC(=O)CCCC(=O)C 1458a_200000688413_100011215641 [0,1,0,0,0,0|2,0,1]=4 1315 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_100011216857_100000730704 [0,1,0,0,0,0|2,0,0]=3 1316 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_200000688413_100011214892 [0,1,0,0,0,0|2,0,0]=3 1317 B12R0.44 C=C(C)CCC(=O)CCCC(C)O 1458a_200000688413_200000718107 [0,1,0,0,0,0|2,0,0]=3 1318 B12R0.44 C=C(C)CCC(=O)CCCN(C)C 1458a_200000688413_100000695564 [0,1,0,0,0,0|3,0,0]=4 1319 B12R0.44 C=C(C)CCC(=O)CCOC(C)C 1458a_200000688413_100000211751 [0,1,0,0,0,0|3,0,0]=4 1320 B12R0.44 C=C(C)CCC(=O)CCSC(C)C 1458a_200000688413_100000730970 [0,1,0,0,0,0|3,0,0]=4 1321 B12R0.44 C=C(C)CCC(=O)COCC(C)C 1458a_100011223364_100000730704 [0,1,0,0,0,0|3,0,0]=4 1322 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 11a_100000210545_200000688413 [0,1,0,0,0,0|2,0,0]=3 1323 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 1626a_100000210545_200000688413 [0,1,0,0,0,0|2,0,0]=3 1324 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 240690a_100000210545_200000688413 [0,1,0,0,0,0|2,0,0]=3 1325 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 527a_100000210545_200000688413 [0,1,0,0,0,0|2,0,0]=3 1326 B12R0.44 C=C(C)CCC(=O)NCCC(C)O 240690a_200000755665_200000688413 [0,1,0,0,0,0|2,0,0]=3 1327 B12R0.44 C=C(C)CCC(=O)NCCC(C)O 527a_200000755665_200000688413 [0,1,0,0,0,0|2,0,0]=3 1328 B12R0.44 C=C(C)CCC(=O)NCCN(C)C 240690a_100000210585_200000688413 [0,1,0,0,0,0|3,0,0]=4 1329 B12R0.44 C=C(C)CCC(=O)NCCN(C)C 527a_100000210585_200000688413 [0,1,0,0,0,0|3,0,0]=4 1330 B12R0.44 C=C(C)CCC(=O)NNCC(C)C 22a_100000696102_200000688413 [0,1,0,0,0,0|3,0,0]=4 1331 B12R0.44 C=C(C)CCC(=O)NNCC(C)O 22a_200000730056_200000688413 [0,1,0,0,0,0|3,0,0]=4 1332 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 11a_100000765925_100011216857 [0,1,0,0,0,0|3,0,0]=4 1333 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 1626a_100000765925_100011216857 [0,1,0,0,0,0|3,0,0]=4 1334 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 240690a_100000765925_100011216857 [0,1,0,0,0,0|3,0,0]=4 1335 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 527a_100000765925_100011216857 [0,1,0,0,0,0|3,0,0]=4 1336 B12R0.44 C=C(C)CNC(=O)CCCC(C)O 1626a_100000765925_100000761597 [0,1,0,0,0,0|3,0,0]=4 1337 B12R0.44 C=C(C)CNC(=O)CCCC(C)O 527a_100000765925_100000761597 [0,1,0,0,0,0|3,0,0]=4 1338 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000210545_100000765925 [0,1,0,0,0,0|3,0,0]=4 1339 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000765925_100000210545 [0,1,0,0,0,0|3,0,0]=4 1340 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000210545_100000765925 [0,1,0,0,0,0|3,0,0]=4 1341 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000765925_100000210545 [0,1,0,0,0,0|3,0,0]=4 1342 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000210545_100000765925 [0,1,0,0,0,0|3,0,0]=4 1343 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000765925_100000210545 [0,1,0,0,0,0|3,0,0]=4 1344 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 2708a_100000765925_200000755665 [0,1,0,0,0,0|3,0,0]=4 1345 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 273464a_200000755665_100000765925 [0,1,0,0,0,0|3,0,0]=4 1346 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 512a_100000765925_200000755665 [0,1,0,0,0,0|3,0,0]=4 1347 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 512a_200000755665_100000765925 [0,1,0,0,0,0|3,0,0]=4 1348 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011216857_100000761012 [0,1,0,0,0,0|2,0,1]=4 1349 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011220947_100011214892 [0,1,0,0,0,0|2,0,1]=4 1350 B12R0.44 CC(=CCC(=O)CCCC(C)O)C 1458a_100011220947_200000718107 [0,1,0,0,0,0|2,0,1]=4 1351 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 11a_100000210545_100011220947 [0,1,0,0,0,0|2,0,1]=4 1352 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 1626a_100000210545_100011220947 [0,1,0,0,0,0|2,0,1]=4 1353 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 240690a_100000210545_100011220947 [0,1,0,0,0,0|2,0,1]=4 1354 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 527a_100000210545_100011220947 [0,1,0,0,0,0|2,0,1]=4 1355 B12R0.44 CC(=CCC(=O)NCCC(C)O)C 240690a_200000755665_100011220947 [0,1,0,0,0,0|2,0,1]=4 1356 B12R0.44 CC(=CCC(=O)NCCC(C)O)C 527a_200000755665_100011220947 [0,1,0,0,0,0|2,0,1]=4 1357 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,1,0,0,0,0|2,0,1]=4 1358 B12R0.44 CC(=O)CCCC(=O)CCC(=O)N 1458a_100011215257_100011215641 [0,1,0,0,0,0|2,0,1]=4 1359 B12R0.44 CC(=O)CCCC(=O)CNC(=O)C 1458a_100000194580_100011215641 [0,1,0,0,0,0|2,0,1]=4 1360 B12R0.44 CC(=O)CCCC(=O)COC(=O)C 1458a_100000183556_100011215641 [0,1,0,0,0,0|2,0,1]=4 1361 B12R0.44 CC(=O)CCCC(=O)CSC(=O)C 1458a_100000049016_100011215641 [0,1,0,0,0,0|2,0,1]=4 1362 B12R0.44 CC(=O)NCC(=O)CCCC(C)C 1458a_100000194580_100011214892 [0,1,0,0,0,0|2,0,0]=3 1363 B12R0.44 CC(=O)NCC(=O)CCCC(C)O 1458a_100000194580_200000718107 [0,1,0,0,0,0|2,0,0]=3 1364 B12R0.44 CC(=O)NCC(=O)CCCN(C)C 1458a_100000194580_100000695564 [0,1,0,0,0,0|3,0,0]=4 1365 B12R0.44 CC(=O)NCC(=O)CCOC(C)C 1458a_100000194580_100000211751 [0,1,0,0,0,0|3,0,0]=4 1366 B12R0.44 CC(=O)NCC(=O)CCSC(C)C 1458a_100000194580_100000730970 [0,1,0,0,0,0|3,0,0]=4 1367 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 11a_100000210545_100000194580 [0,1,0,0,0,0|2,0,0]=3 1368 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 1626a_100000210545_100000194580 [0,1,0,0,0,0|2,0,0]=3 1369 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 240690a_100000210545_100000194580 [0,1,0,0,0,0|2,0,0]=3 1370 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 527a_100000210545_100000194580 [0,1,0,0,0,0|2,0,0]=3 1371 B12R0.44 CC(=O)NCC(=O)NCCC(C)O 240690a_200000755665_100000194580 [0,1,0,0,0,0|2,0,0]=3 1372 B12R0.44 CC(=O)NCC(=O)NCCC(C)O 527a_200000755665_100000194580 [0,1,0,0,0,0|2,0,0]=3 1373 B12R0.44 CC(=O)NCC(=O)NCCN(C)C 240690a_100000210585_100000194580 [0,1,0,0,0,0|3,0,0]=4 1374 B12R0.44 CC(=O)NCC(=O)NCCN(C)C 527a_100000210585_100000194580 [0,1,0,0,0,0|3,0,0]=4 1375 B12R0.44 CC(=O)NCC(=O)NNCC(C)C 22a_100000696102_100000194580 [0,1,0,0,0,0|3,0,0]=4 1376 B12R0.44 CC(=O)NCC(=O)NNCC(C)O 22a_200000730056_100000194580 [0,1,0,0,0,0|3,0,0]=4 1377 B12R0.44 CC(=O)NNC(=O)CCCC(C)C 22a_100000189765_100011216857 [0,1,0,0,0,0|3,0,0]=4 1378 B12R0.44 CC(=O)NNC(=O)CCCC(C)O 22a_100000189765_100000761597 [0,1,0,0,0,0|3,0,0]=4 1379 B12R0.44 CC(=O)NNC(=O)NCCC(C)C 273464a_100000210545_100000189765 [0,1,0,0,0,0|3,0,0]=4 1380 B12R0.44 CC(=O)NNC(=O)NCCC(C)C 512a_100000189765_100000210545 [0,1,0,0,0,0|3,0,0]=4 1381 B12R0.44 CC(=O)NNC(=O)NCCC(C)O 273464a_200000755665_100000189765 [0,1,0,0,0,0|3,0,0]=4 1382 B12R0.44 CC(=O)NNC(=O)NCCC(C)O 512a_100000189765_200000755665 [0,1,0,0,0,0|3,0,0]=4 1383 B12R0.44 CC(=O)OCC(=O)CCCC(C)C 1458a_100000183556_100011214892 [0,1,0,0,0,0|2,0,0]=3 1384 B12R0.44 CC(=O)OCC(=O)CCCC(C)O 1458a_100000183556_200000718107 [0,1,0,0,0,0|2,0,0]=3 1385 B12R0.44 CC(=O)OCC(=O)CCCN(C)C 1458a_100000183556_100000695564 [0,1,0,0,0,0|3,0,0]=4 1386 B12R0.44 CC(=O)OCC(=O)CCOC(C)C 1458a_100000183556_100000211751 [0,1,0,0,0,0|3,0,0]=4 1387 B12R0.44 CC(=O)OCC(=O)CCSC(C)C 1458a_100000183556_100000730970 [0,1,0,0,0,0|3,0,0]=4 1388 B12R0.44 CC(=O)OCC(=O)CNCC(C)C 34a_100000210953_100000036994 [0,1,0,0,0,0|3,0,0]=4 1389 B12R0.44 CC(=O)OCC(=O)CNCC(C)O 34a_100000210904_100000036994 [0,1,0,0,0,0|3,0,0]=4 1390 B12R0.44 CC(=O)OCC(=O)COCC(C)Br 34a_100012180447_100000036994 [0,1,0,0,0,0|3,0,0]=4 1391 B12R0.44 CC(=O)OCC(=O)COCC(C)C 34a_100000210257_100000036994 [0,1,0,0,0,0|3,0,0]=4 1392 B12R0.44 CC(=O)OCC(=O)COCC(C)F 34a_100015925927_100000036994 [0,1,0,0,0,0|3,0,0]=4 1393 B12R0.44 CC(=O)OCC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036994 [0,1,0,0,0,0|3,0,0]=4 1394 B12R0.44 CC(=O)OCC(=O)COC[C@@H](C)N 34a_100000737577_100000036994 [0,1,0,0,0,0|3,0,0]=4 1395 B12R0.44 CC(=O)OCC(=O)CSCC(C)C 62a_100000036994_100000210760 [0,1,0,0,0,0|3,0,0]=4 1396 B12R0.44 CC(=O)OCC(=O)CSCC(C)C 62a_100000210624_100000036994 [0,1,0,0,0,0|3,0,0]=4 1397 B12R0.44 CC(=O)OCC(=O)CSCC(C)O 62a_100000036994_100011218427 [0,1,0,0,0,0|3,0,0]=4 1398 B12R0.44 CC(=O)OCC(=O)CSCC(C)O 62a_100011218427_100000036994 [0,1,0,0,0,0|3,0,0]=4 1399 B12R0.44 CC(=O)OCC(=O)CSC[C@@H](C)O 62a_100000036994_100009817552 [0,1,0,0,0,0|3,0,0]=4 1400 B12R0.44 CC(=O)OCC(=O)CSC[C@@H](C)O 62a_100009817552_100000036994 [0,1,0,0,0,0|3,0,0]=4 1401 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 1626a_100000210545_100000183556 [0,1,0,0,0,0|2,0,0]=3 1402 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 240690a_100000210545_100000183556 [0,1,0,0,0,0|2,0,0]=3 1403 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 527a_100000210545_100000183556 [0,1,0,0,0,0|2,0,0]=3 1404 B12R0.44 CC(=O)OCC(=O)NCCC(C)O 240690a_200000755665_100000183556 [0,1,0,0,0,0|2,0,0]=3 1405 B12R0.44 CC(=O)OCC(=O)NCCC(C)O 527a_200000755665_100000183556 [0,1,0,0,0,0|2,0,0]=3 1406 B12R0.44 CC(=O)OCC(=O)NCCN(C)C 240690a_100000210585_100000183556 [0,1,0,0,0,0|3,0,0]=4 1407 B12R0.44 CC(=O)OCC(=O)NCCN(C)C 527a_100000210585_100000183556 [0,1,0,0,0,0|3,0,0]=4 1408 B12R0.44 CC(=O)OCC(=O)NNCC(C)C 22a_100000696102_100000183556 [0,1,0,0,0,0|3,0,0]=4 1409 B12R0.44 CC(=O)OCC(=O)NNCC(C)O 22a_200000730056_100000183556 [0,1,0,0,0,0|3,0,0]=4 1410 B12R0.44 CC(=O)SCC(=O)CCCC(C)C 1458a_100000049016_100011214892 [0,1,0,0,0,0|2,0,0]=3 1411 B12R0.44 CC(=O)SCC(=O)CCCC(C)O 1458a_100000049016_200000718107 [0,1,0,0,0,0|2,0,0]=3 1412 B12R0.44 CC(=O)SCC(=O)CCCN(C)C 1458a_100000049016_100000695564 [0,1,0,0,0,0|3,0,0]=4 1413 B12R0.44 CC(=O)SCC(=O)CCOC(C)C 1458a_100000049016_100000211751 [0,1,0,0,0,0|3,0,0]=4 1414 B12R0.44 CC(=O)SCC(=O)CCSC(C)C 1458a_100000049016_100000730970 [0,1,0,0,0,0|3,0,0]=4 1415 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 11a_100000210545_100000049016 [0,1,0,0,0,0|2,0,0]=3 1416 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 1626a_100000210545_100000049016 [0,1,0,0,0,0|2,0,0]=3 1417 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 240690a_100000210545_100000049016 [0,1,0,0,0,0|2,0,0]=3 1418 B12R0.44 CC(=O)SCC(=O)NCCC(C)O 240690a_200000755665_100000049016 [0,1,0,0,0,0|2,0,0]=3 1419 B12R0.44 CC(=O)SCC(=O)NCCN(C)C 240690a_100000210585_100000049016 [0,1,0,0,0,0|3,0,0]=4 1420 B12R0.44 CC(C)CCC(=O)CCCC(C)O 1458a_100000181311_200000718107 [0,1,0,0,0,0|2,0,1]=4 1421 B12R0.44 CC(C)CCC(=O)NCCC(C)O 240690a_200000755665_100000181311 [0,1,0,0,0,0|2,0,1]=4 1422 B12R0.44 CC(C)CCC(=O)NCCC(C)O 527a_200000755665_100000181311 [0,1,0,0,0,0|2,0,1]=4 1423 B12R0.44 CC(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100011214892 [0,1,0,0,0,0|2,0,0]=3 1424 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100000181311_100011214892 [0,1,0,0,0,0|2,0,1]=4 1425 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100011216857_100000210312 [0,1,0,0,0,0|2,0,1]=4 1426 B12R0.44 CC(C)CCCC(=O)CCC(C)O 1458a_100011216857_100012276601 [0,1,0,0,0,0|1,0,2]=4 1427 B12R0.44 CC(C)CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011214892 [0,1,0,0,0,0|3,0,0]=4 1428 B12R0.44 CC(C)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011214892 [0,1,0,0,0,0|3,0,0]=4 1429 B12R0.44 CC(C)CCCC(=O)CNC(=O)N 1458a_100000184981_100011214892 [0,1,0,0,0,0|3,0,0]=4 1430 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 11a_100000711301_100011216857 [0,1,0,0,0,0|3,0,0]=4 1431 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 240690a_100000711301_100011216857 [0,1,0,0,0,0|3,0,0]=4 1432 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 527a_100000711301_100011216857 [0,1,0,0,0,0|3,0,0]=4 1433 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 240690a_100000210545_100011215257 [0,1,0,0,0,0|2,0,0]=3 1434 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 527a_100000210545_100011215257 [0,1,0,0,0,0|2,0,0]=3 1435 B12R0.44 CC(C)CCNC(=O)CCC(C)C 11a_100000210545_100000181311 [0,1,0,0,0,0|2,0,1]=4 1436 B12R0.44 CC(C)CCNC(=O)CCC(C)C 1626a_100000210545_100000181311 [0,1,0,0,0,0|2,0,1]=4 1437 B12R0.44 CC(C)CCNC(=O)CCC(C)C 240690a_100000210545_100000181311 [0,1,0,0,0,0|2,0,1]=4 1438 B12R0.44 CC(C)CCNC(=O)CCC(C)C 527a_100000210545_100000181311 [0,1,0,0,0,0|2,0,1]=4 1439 B12R0.44 CC(C)CCNC(=O)CCC(C)O 1626a_100000210545_100000718519 [0,1,0,0,0,0|1,0,2]=4 1440 B12R0.44 CC(C)CCNC(=O)CCN(C)C 11a_100000210545_100000689311 [0,1,0,0,0,0|3,0,0]=4 1441 B12R0.44 CC(C)CCNC(=O)CCN(C)C 240690a_100000210545_100000689311 [0,1,0,0,0,0|3,0,0]=4 1442 B12R0.44 CC(C)CCNC(=O)CCN(C)C 527a_100000210545_100000689311 [0,1,0,0,0,0|3,0,0]=4 1443 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 11a_100000210545_200000064761 [0,1,0,0,0,0|3,0,0]=4 1444 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 1626a_100000210545_200000064761 [0,1,0,0,0,0|3,0,0]=4 1445 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 240690a_100000210545_200000064761 [0,1,0,0,0,0|3,0,0]=4 1446 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 11a_100000210545_100009452791 [0,1,0,0,0,0|3,0,0]=4 1447 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 1626a_100000210545_100009452791 [0,1,0,0,0,0|3,0,0]=4 1448 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 240690a_100000210545_100009452791 [0,1,0,0,0,0|3,0,0]=4 1449 B12R0.44 CC(C)CCNC(=O)CNC(=O)N 240690a_100000210545_100000184981 [0,1,0,0,0,0|3,0,0]=4 1450 B12R0.44 CC(C)CCNC(=O)CNC(=O)N 527a_100000210545_100000184981 [0,1,0,0,0,0|3,0,0]=4 1451 B12R0.44 CC(C)CCNC(=O)CSC(=O)N 240690a_100000210545_200015941356 [0,1,0,0,0,0|3,0,0]=4 1452 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 2708a_100000210545_100000711301 [0,1,0,0,0,0|3,0,0]=4 1453 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 273464a_100000210545_100000711301 [0,1,0,0,0,0|3,0,0]=4 1454 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 273464a_100000711301_100000210545 [0,1,0,0,0,0|3,0,0]=4 1455 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 512a_100000210545_100000711301 [0,1,0,0,0,0|3,0,0]=4 1456 B12R0.44 CC(C)CNNC(=O)CCC(=O)N 22a_100000696102_100011215257 [0,1,0,0,0,0|3,0,0]=4 1457 B12R0.44 CC(C)OCCC(=O)CCC(=O)N 1458a_100011215257_100000211751 [0,1,0,0,0,0|3,0,0]=4 1458 B12R0.44 CC(C)SCCC(=O)CCC(=O)N 1458a_100011215257_100000730970 [0,1,0,0,0,0|3,0,0]=4 1459 B12R0.44 CC(O)CCCC(=O)CCC(=O)N 1458a_100011215257_200000718107 [0,1,0,0,0,0|2,0,0]=3 1460 B12R0.44 CC(O)CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000718107 [0,1,0,0,0,0|3,0,0]=4 1461 B12R0.44 CC(O)CCCC(=O)CC[S+](C)C 1458a_100009452791_200000718107 [0,1,0,0,0,0|3,0,0]=4 1462 B12R0.44 CC(O)CCCC(=O)CNC(=O)N 1458a_100000184981_200000718107 [0,1,0,0,0,0|3,0,0]=4 1463 B12R0.44 CC(O)CCCC(=O)NCC(=O)N 527a_100000711301_100000761597 [0,1,0,0,0,0|3,0,0]=4 1464 B12R0.44 CC(O)CCNC(=O)CCC(=O)N 240690a_200000755665_100011215257 [0,1,0,0,0,0|2,0,0]=3 1465 B12R0.44 CC(O)CCNC(=O)CCC(=O)N 527a_200000755665_100011215257 [0,1,0,0,0,0|2,0,0]=3 1466 B12R0.44 CC(O)CCNC(=O)CCN(C)C 240690a_200000755665_100000689311 [0,1,0,0,0,0|3,0,0]=4 1467 B12R0.44 CC(O)CCNC(=O)CCN(C)C 527a_200000755665_100000689311 [0,1,0,0,0,0|3,0,0]=4 1468 B12R0.44 CC(O)CCNC(=O)CC[N+](=O)[O-] 240690a_200000755665_200000064761 [0,1,0,0,0,0|3,0,0]=4 1469 B12R0.44 CC(O)CCNC(=O)CC[S+](C)C 240690a_200000755665_100009452791 [0,1,0,0,0,0|3,0,0]=4 1470 B12R0.44 CC(O)CCNC(=O)CNC(=O)N 240690a_200000755665_100000184981 [0,1,0,0,0,0|3,0,0]=4 1471 B12R0.44 CC(O)CCNC(=O)CNC(=O)N 527a_200000755665_100000184981 [0,1,0,0,0,0|3,0,0]=4 1472 B12R0.44 CC(O)CCNC(=O)CSC(=O)N 240690a_200000755665_200015941356 [0,1,0,0,0,0|3,0,0]=4 1473 B12R0.44 CC(O)CCNC(=O)NCC(=O)N 273464a_200000755665_100000711301 [0,1,0,0,0,0|3,0,0]=4 1474 B12R0.44 CC(O)CCNC(=O)NCC(=O)N 512a_200000755665_100000711301 [0,1,0,0,0,0|3,0,0]=4 1475 B12R0.44 CC(O)CNNC(=O)CCC(=O)N 22a_200000730056_100011215257 [0,1,0,0,0,0|3,0,0]=4 1476 B12R0.44 CN(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100000695564 [0,1,0,0,0,0|3,0,0]=4 1477 B12R0.44 CN(C)CCNC(=O)CCC(=O)N 240690a_100000210585_100011215257 [0,1,0,0,0,0|3,0,0]=4 1478 B12R0.44 CN(C)CCNC(=O)CCC(=O)N 527a_100000210585_100011215257 [0,1,0,0,0,0|3,0,0]=4 1479 B12R0.98 C=C(C)CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000730704 [0,1,0,0,0,0|2,0,1]=4 1480 B12R0.98 C=C(C)CCC(=O)C(=O)NCCC 1458a_200011297150_100000730704 [0,1,0,0,0,0|3,0,0]=4 1481 B12R0.98 C=C(C)CCC(=O)C(C)CCCC 1458a_100000725509_100000730704 [0,1,0,0,0,0|2,0,0]=3 1482 B12R0.98 C=C(C)CCC(=O)C(C)CCCC 1458a_200000688413_200011215066 [0,1,0,0,0,0|2,0,0]=3 1483 B12R0.98 C=C(C)CCC(=O)C(O)CCCC 1458a_100000720857_100000730704 [0,1,0,0,0,0|2,0,0]=3 1484 B12R0.98 C=C(C)CCC(=O)C(O)CCSC 1458a_100000685904_100000730704 [0,1,0,0,0,0|3,0,0]=4 1485 B12R0.98 C=C(C)CCC(=O)N(C)CCCC 11a_100000207549_200000688413 [0,1,0,0,0,0|2,0,0]=3 1486 B12R0.98 C=C(C)CCC(=O)N(C)CCCC 1626a_100000207549_200000688413 [0,1,0,0,0,0|2,0,0]=3 1487 B12R0.98 C=C(C)CCC(=O)N(C)CCCC 240690a_100000207549_200000688413 [0,1,0,0,0,0|2,0,0]=3 1488 B12R0.98 C=C(C)CCC(=O)N(C)CCCC 527a_100000207549_200000688413 [0,1,0,0,0,0|2,0,0]=3 1489 B12R0.98 C=C(C)CCC(=O)N(C)CCCO 240690a_100000213112_200000688413 [0,1,0,0,0,0|3,0,0]=4 1490 B12R0.98 C=C(C)CCC(=O)N(C)CCCO 527a_100000213112_200000688413 [0,1,0,0,0,0|3,0,0]=4 1491 B12R0.98 C=C(C)CCC(=O)N(C)CCOC 11a_100000743101_200000688413 [0,1,0,0,0,0|3,0,0]=4 1492 B12R0.98 C=C(C)CCC(=O)N(C)CCOC 1626a_100000743101_200000688413 [0,1,0,0,0,0|3,0,0]=4 1493 B12R0.98 C=C(C)CCC(=O)N(C)CCOC 240690a_100000743101_200000688413 [0,1,0,0,0,0|3,0,0]=4 1494 B12R0.98 C=C(C)CCC(=O)N(C)CCOC 527a_100000743101_200000688413 [0,1,0,0,0,0|3,0,0]=4 1495 B12R0.98 C=C(C)CCC(=O)N(C)CCSC 11a_100000686725_200000688413 [0,1,0,0,0,0|3,0,0]=4 1496 B12R0.98 C=C(C)CCC(=O)N(C)CCSC 1626a_100000686725_200000688413 [0,1,0,0,0,0|3,0,0]=4 1497 B12R0.98 C=C(C)CCC(=O)N(C)CCSC 240690a_100000686725_200000688413 [0,1,0,0,0,0|3,0,0]=4 1498 B12R0.98 C=C(C)CCC(=O)N(C)CCSC 527a_100000686725_200000688413 [0,1,0,0,0,0|3,0,0]=4 1499 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 11a_100000765925_100000725509 [0,1,0,0,0,0|3,0,0]=4 1500 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 1626a_100000765925_100000725509 [0,1,0,0,0,0|3,0,0]=4 1501 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 240690a_100000765925_100000725509 [0,1,0,0,0,0|3,0,0]=4 1502 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 527a_100000765925_100000725509 [0,1,0,0,0,0|3,0,0]=4 1503 B12R0.98 C=C(C)CNC(=O)C(O)CCCC 240690a_100000765925_100000720857 [0,1,0,0,0,0|3,0,0]=4 1504 B12R0.98 C=C(C)CNC(=O)C(O)CCCC 527a_100000765925_100000720857 [0,1,0,0,0,0|3,0,0]=4 1505 B12R0.98 C=C(C)CNC(=O)N(C)CCCC 2708a_100000765925_100000207549 [0,1,0,0,0,0|3,0,0]=4 1506 B12R0.98 C=C(C)CNC(=O)N(C)CCCC 273464a_100000765925_100000207549 [0,1,0,0,0,0|3,0,0]=4 1507 B12R0.98 CC(=O)NCC(=O)N(C)CCCO 240690a_100000213112_100000194580 [0,1,0,0,0,0|3,0,0]=4 1508 B12R0.98 CC(=O)NCC(=O)N(C)CCCO 527a_100000213112_100000194580 [0,1,0,0,0,0|3,0,0]=4 1509 B12R0.98 CC(=O)OCC(=O)N(C)CCCO 240690a_100000213112_100000183556 [0,1,0,0,0,0|3,0,0]=4 1510 B12R0.98 CC(=O)OCC(=O)N(C)CCCO 527a_100000213112_100000183556 [0,1,0,0,0,0|3,0,0]=4 1511 B12R0.98 CC(=O)SCC(=O)N(C)CCCO 240690a_100000213112_100000049016 [0,1,0,0,0,0|3,0,0]=4 1512 B12R0.98 CCCCC(C)C(=O)CC=C(C)C 1458a_100000725509_100000761012 [0,1,0,0,0,0|2,0,1]=4 1513 B12R0.98 CCCCC(C)C(=O)CC=C(C)C 1458a_100011220947_200011215066 [0,1,0,0,0,0|2,0,1]=4 1514 B12R0.98 CCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011215066 [0,1,0,0,0,0|2,0,0]=3 1515 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000181311_200011215066 [0,1,0,0,0,0|2,0,1]=4 1516 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000725509_100000210312 [0,1,0,0,0,0|2,0,1]=4 1517 B12R0.98 CCCCC(C)C(=O)CCC(C)O 1458a_100000725509_100012276601 [0,1,0,0,0,0|1,0,2]=4 1518 B12R0.98 CCCCC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_200011215066 [0,1,0,0,0,0|3,0,0]=4 1519 B12R0.98 CCCCC(C)C(=O)CC[S+](C)C 1458a_100009452791_200011215066 [0,1,0,0,0,0|3,0,0]=4 1520 B12R0.98 CCCCC(C)C(=O)CNC(=O)C 1458a_100000194580_200011215066 [0,1,0,0,0,0|2,0,0]=3 1521 B12R0.98 CCCCC(C)C(=O)CNC(=O)N 1458a_100000184981_200011215066 [0,1,0,0,0,0|3,0,0]=4 1522 B12R0.98 CCCCC(C)C(=O)COC(=O)C 1458a_100000183556_200011215066 [0,1,0,0,0,0|2,0,0]=3 1523 B12R0.98 CCCCC(C)C(=O)CSC(=O)C 1458a_100000049016_200011215066 [0,1,0,0,0,0|2,0,0]=3 1524 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 11a_100000711301_100000725509 [0,1,0,0,0,0|3,0,0]=4 1525 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 240690a_100000711301_100000725509 [0,1,0,0,0,0|3,0,0]=4 1526 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 527a_100000711301_100000725509 [0,1,0,0,0,0|3,0,0]=4 1527 B12R0.98 CCCCC(C)C(=O)NNC(=O)C 22a_100000189765_100000725509 [0,1,0,0,0,0|3,0,0]=4 1528 B12R0.98 CCCCC(O)C(=O)CC=C(C)C 1458a_100000720857_100000761012 [0,1,0,0,0,0|2,0,1]=4 1529 B12R0.98 CCCCC(O)C(=O)CCC(C)C 1458a_100000720857_100000210312 [0,1,0,0,0,0|2,0,1]=4 1530 B12R0.98 CCCCC(O)C(=O)CCC(C)O 1458a_100000720857_100012276601 [0,1,0,0,0,0|1,0,2]=4 1531 B12R0.98 CCCCC(O)C(=O)NCC(=O)N 240690a_100000711301_100000720857 [0,1,0,0,0,0|3,0,0]=4 1532 B12R0.98 CCCCC(O)C(=O)NCC(=O)N 527a_100000711301_100000720857 [0,1,0,0,0,0|3,0,0]=4 1533 B12R0.98 CCCCC(O)C(=O)NNC(=O)C 22a_100000189765_100000720857 [0,1,0,0,0,0|3,0,0]=4 1534 B12R0.98 CCCCN(C)C(=O)CC=C(C)C 11a_100000207549_100011220947 [0,1,0,0,0,0|2,0,1]=4 1535 B12R0.98 CCCCN(C)C(=O)CC=C(C)C 1626a_100000207549_100011220947 [0,1,0,0,0,0|2,0,1]=4 1536 B12R0.98 CCCCN(C)C(=O)CC=C(C)C 240690a_100000207549_100011220947 [0,1,0,0,0,0|2,0,1]=4 1537 B12R0.98 CCCCN(C)C(=O)CC=C(C)C 527a_100000207549_100011220947 [0,1,0,0,0,0|2,0,1]=4 1538 B12R0.98 CCCCN(C)C(=O)CCC(=O)N 240690a_100000207549_100011215257 [0,1,0,0,0,0|2,0,0]=3 1539 B12R0.98 CCCCN(C)C(=O)CCC(=O)N 527a_100000207549_100011215257 [0,1,0,0,0,0|2,0,0]=3 1540 B12R0.98 CCCCN(C)C(=O)CCC(C)C 11a_100000207549_100000181311 [0,1,0,0,0,0|2,0,1]=4 1541 B12R0.98 CCCCN(C)C(=O)CCC(C)C 1626a_100000207549_100000181311 [0,1,0,0,0,0|2,0,1]=4 1542 B12R0.98 CCCCN(C)C(=O)CCC(C)C 240690a_100000207549_100000181311 [0,1,0,0,0,0|2,0,1]=4 1543 B12R0.98 CCCCN(C)C(=O)CCC(C)C 527a_100000207549_100000181311 [0,1,0,0,0,0|2,0,1]=4 1544 B12R0.98 CCCCN(C)C(=O)CCC(C)O 1626a_100000207549_100000718519 [0,1,0,0,0,0|1,0,2]=4 1545 B12R0.98 CCCCN(C)C(=O)CCN(C)C 11a_100000207549_100000689311 [0,1,0,0,0,0|3,0,0]=4 1546 B12R0.98 CCCCN(C)C(=O)CCN(C)C 240690a_100000207549_100000689311 [0,1,0,0,0,0|3,0,0]=4 1547 B12R0.98 CCCCN(C)C(=O)CCN(C)C 527a_100000207549_100000689311 [0,1,0,0,0,0|3,0,0]=4 1548 B12R0.98 CCCCN(C)C(=O)CC[N+](=O)[O-] 11a_100000207549_200000064761 [0,1,0,0,0,0|3,0,0]=4 1549 B12R0.98 CCCCN(C)C(=O)CC[N+](=O)[O-] 1626a_100000207549_200000064761 [0,1,0,0,0,0|3,0,0]=4 1550 B12R0.98 CCCCN(C)C(=O)CC[N+](=O)[O-] 240690a_100000207549_200000064761 [0,1,0,0,0,0|3,0,0]=4 1551 B12R0.98 CCCCN(C)C(=O)CC[S+](C)C 11a_100000207549_100009452791 [0,1,0,0,0,0|3,0,0]=4 1552 B12R0.98 CCCCN(C)C(=O)CC[S+](C)C 1626a_100000207549_100009452791 [0,1,0,0,0,0|3,0,0]=4 1553 B12R0.98 CCCCN(C)C(=O)CC[S+](C)C 240690a_100000207549_100009452791 [0,1,0,0,0,0|3,0,0]=4 1554 B12R0.98 CCCCN(C)C(=O)CNC(=O)C 11a_100000207549_100000194580 [0,1,0,0,0,0|2,0,0]=3 1555 B12R0.98 CCCCN(C)C(=O)CNC(=O)C 1626a_100000207549_100000194580 [0,1,0,0,0,0|2,0,0]=3 1556 B12R0.98 CCCCN(C)C(=O)CNC(=O)C 240690a_100000207549_100000194580 [0,1,0,0,0,0|2,0,0]=3 1557 B12R0.98 CCCCN(C)C(=O)CNC(=O)C 527a_100000207549_100000194580 [0,1,0,0,0,0|2,0,0]=3 1558 B12R0.98 CCCCN(C)C(=O)CNC(=O)N 240690a_100000207549_100000184981 [0,1,0,0,0,0|3,0,0]=4 1559 B12R0.98 CCCCN(C)C(=O)CNC(=O)N 527a_100000207549_100000184981 [0,1,0,0,0,0|3,0,0]=4 1560 B12R0.98 CCCCN(C)C(=O)COC(=O)C 1626a_100000207549_100000183556 [0,1,0,0,0,0|2,0,0]=3 1561 B12R0.98 CCCCN(C)C(=O)COC(=O)C 240690a_100000207549_100000183556 [0,1,0,0,0,0|2,0,0]=3 1562 B12R0.98 CCCCN(C)C(=O)COC(=O)C 527a_100000207549_100000183556 [0,1,0,0,0,0|2,0,0]=3 1563 B12R0.98 CCCCN(C)C(=O)CSC(=O)C 11a_100000207549_100000049016 [0,1,0,0,0,0|2,0,0]=3 1564 B12R0.98 CCCCN(C)C(=O)CSC(=O)C 1626a_100000207549_100000049016 [0,1,0,0,0,0|2,0,0]=3 1565 B12R0.98 CCCCN(C)C(=O)CSC(=O)C 240690a_100000207549_100000049016 [0,1,0,0,0,0|2,0,0]=3 1566 B12R0.98 CCCCN(C)C(=O)CSC(=O)N 240690a_100000207549_200015941356 [0,1,0,0,0,0|3,0,0]=4 1567 B12R0.98 CCCCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000207549 [0,1,0,0,0,0|3,0,0]=4 1568 B12R0.98 CN(CCCO)C(=O)CCC(=O)N 240690a_100000213112_100011215257 [0,1,0,0,0,0|3,0,0]=4 1569 B12R0.98 CN(CCCO)C(=O)CCC(=O)N 527a_100000213112_100011215257 [0,1,0,0,0,0|3,0,0]=4 1570 B12R0.98 COCCN(C)C(=O)CCC(=O)N 240690a_100000743101_100011215257 [0,1,0,0,0,0|3,0,0]=4 1571 B12R0.98 COCCN(C)C(=O)CCC(=O)N 527a_100000743101_100011215257 [0,1,0,0,0,0|3,0,0]=4 1572 B12R0.98 COCCN(C)C(=O)CNC(=O)C 11a_100000743101_100000194580 [0,1,0,0,0,0|3,0,0]=4 1573 B12R0.98 COCCN(C)C(=O)CNC(=O)C 1626a_100000743101_100000194580 [0,1,0,0,0,0|3,0,0]=4 1574 B12R0.98 COCCN(C)C(=O)CNC(=O)C 240690a_100000743101_100000194580 [0,1,0,0,0,0|3,0,0]=4 1575 B12R0.98 COCCN(C)C(=O)CNC(=O)C 527a_100000743101_100000194580 [0,1,0,0,0,0|3,0,0]=4 1576 B12R0.98 COCCN(C)C(=O)COC(=O)C 1626a_100000743101_100000183556 [0,1,0,0,0,0|3,0,0]=4 1577 B12R0.98 COCCN(C)C(=O)COC(=O)C 240690a_100000743101_100000183556 [0,1,0,0,0,0|3,0,0]=4 1578 B12R0.98 COCCN(C)C(=O)COC(=O)C 527a_100000743101_100000183556 [0,1,0,0,0,0|3,0,0]=4 1579 B12R0.98 COCCN(C)C(=O)CSC(=O)C 11a_100000743101_100000049016 [0,1,0,0,0,0|3,0,0]=4 1580 B12R0.98 COCCN(C)C(=O)CSC(=O)C 1626a_100000743101_100000049016 [0,1,0,0,0,0|3,0,0]=4 1581 B12R0.98 COCCN(C)C(=O)CSC(=O)C 240690a_100000743101_100000049016 [0,1,0,0,0,0|3,0,0]=4 1582 B12R0.98 CSCCN(C)C(=O)CCC(=O)N 240690a_100000686725_100011215257 [0,1,0,0,0,0|3,0,0]=4 1583 B12R0.98 CSCCN(C)C(=O)CCC(=O)N 527a_100000686725_100011215257 [0,1,0,0,0,0|3,0,0]=4 1584 B12R0.98 CSCCN(C)C(=O)CNC(=O)C 11a_100000686725_100000194580 [0,1,0,0,0,0|3,0,0]=4 1585 B12R0.98 CSCCN(C)C(=O)CNC(=O)C 1626a_100000686725_100000194580 [0,1,0,0,0,0|3,0,0]=4 1586 B12R0.98 CSCCN(C)C(=O)CNC(=O)C 240690a_100000686725_100000194580 [0,1,0,0,0,0|3,0,0]=4 1587 B12R0.98 CSCCN(C)C(=O)CNC(=O)C 527a_100000686725_100000194580 [0,1,0,0,0,0|3,0,0]=4 1588 B12R0.98 CSCCN(C)C(=O)COC(=O)C 1626a_100000686725_100000183556 [0,1,0,0,0,0|3,0,0]=4 1589 B12R0.98 CSCCN(C)C(=O)COC(=O)C 240690a_100000686725_100000183556 [0,1,0,0,0,0|3,0,0]=4 1590 B12R0.98 CSCCN(C)C(=O)COC(=O)C 527a_100000686725_100000183556 [0,1,0,0,0,0|3,0,0]=4 1591 B12R0.98 CSCCN(C)C(=O)CSC(=O)C 11a_100000686725_100000049016 [0,1,0,0,0,0|3,0,0]=4 1592 B12R0.98 CSCCN(C)C(=O)CSC(=O)C 1626a_100000686725_100000049016 [0,1,0,0,0,0|3,0,0]=4 1593 B12R0.98 CSCCN(C)C(=O)CSC(=O)C 240690a_100000686725_100000049016 [0,1,0,0,0,0|3,0,0]=4 1594 B12R0.123 C=C(C)C(=O)CC(=O)CCCCC 1458a_100000185857_200012276598 [0,1,0,0,0,0|2,0,1]=4 1595 B12R0.123 C=C(C)C(=O)CC(=O)NCCCC 1458a_100000185857_100000182744 [0,1,0,0,0,0|2,0,1]=4 1596 B12R0.123 C=C(C)C(=O)CC(=O)OCCCC 1458a_100000185857_100000211628 [0,1,0,0,0,0|1,0,1]=3 1597 B12R0.123 C=C(C)C(=O)CC(=O)OCCOC 1458a_100000185857_200000040189 [0,1,0,0,0,0|2,0,1]=4 1598 B12R0.123 CC(=O)C(=O)CC(=O)CCCCO 1458a_100000695505_100011261029 [0,1,0,0,0,0|2,0,1]=4 1599 B12R0.123 CC(=O)N(C)CC(=O)CCCCF 1458a_100000194957_100000729493 [0,1,0,0,0,0|3,0,0]=4 1600 B12R0.123 CC(=O)N(C)CC(=O)CCCCO 1458a_100000194957_100000210776 [0,1,0,0,0,0|3,0,0]=4 1601 B12R0.123 CC(=O)N(C)CC(=O)NCCCF 11a_100015189416_100000194957 [0,1,0,0,0,0|3,0,0]=4 1602 B12R0.123 CC(=O)N(C)CC(=O)NCCCF 1626a_100015189416_100000194957 [0,1,0,0,0,0|3,0,0]=4 1603 B12R0.123 CC(=O)N(C)CC(=O)NCCCF 240690a_100015189416_100000194957 [0,1,0,0,0,0|3,0,0]=4 1604 B12R0.123 CC(=O)N(C)CC(=O)NCCCF 527a_100015189416_100000194957 [0,1,0,0,0,0|3,0,0]=4 1605 B12R0.123 CC(=O)N(C)CC(=O)NCCCO 240690a_100000182051_100000194957 [0,1,0,0,0,0|3,0,0]=4 1606 B12R0.123 CC(=O)N(C)CC(=O)NCCCO 527a_100000182051_100000194957 [0,1,0,0,0,0|3,0,0]=4 1607 B12R0.123 CCCC#CC(=O)CC(=O)C(=O)C 1458a_200011218047_100011261029 [0,1,0,0,0,0|1,0,2]=4 1608 B12R0.123 CCCC=CC(=O)CC(=O)C(=O)C 1458a_100000212230_100011261029 [0,1,0,0,0,0|1,0,2]=4 1609 B12R0.123 CCCCCC(=O)CC(=O)C(=O)C 1458a_100000212188_100011261029 [0,1,0,0,0,0|1,0,1]=3 1610 B12R0.123 CCCCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210326 [0,1,0,0,0,0|3,0,0]=4 1611 B12R0.123 CCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210326 [0,1,0,0,0,0|2,0,0]=3 1612 B12R0.123 CCCCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210326 [0,1,0,0,0,0|3,0,0]=4 1613 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000212188 [0,1,0,0,0,0|3,0,0]=4 1614 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000212188 [0,1,0,0,0,0|3,0,0]=4 1615 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000212188 [0,1,0,0,0,0|3,0,0]=4 1616 B12R0.123 CCCCNC(=O)CC(C)N(C)C 1626a_100000102301_100011311895 [0,1,0,0,0,0|3,0,0]=4 1617 B12R0.123 CCCCNC(=O)CC(C)N(C)C 240690a_100000102301_100011311895 [0,1,0,0,0,0|3,0,0]=4 1618 B12R0.123 CCCCNC(=O)CN(C)C(=O)C 11a_100000102301_100000194957 [0,1,0,0,0,0|2,0,0]=3 1619 B12R0.123 CCCCNC(=O)CN(C)C(=O)C 1626a_100000102301_100000194957 [0,1,0,0,0,0|2,0,0]=3 1620 B12R0.123 CCCCNC(=O)CN(C)C(=O)C 1626a_200000213093_100015343762 [0,1,0,0,0,0|2,0,0]=3 1621 B12R0.123 CCCCNC(=O)CN(C)C(=O)C 240690a_100000102301_100000194957 [0,1,0,0,0,0|2,0,0]=3 1622 B12R0.123 CCCCNC(=O)CN(C)C(=O)C 240690a_200000213093_100015343762 [0,1,0,0,0,0|2,0,0]=3 1623 B12R0.123 CCCCNC(=O)CN(C)C(=O)C 527a_100000102301_100000194957 [0,1,0,0,0,0|2,0,0]=3 1624 B12R0.123 CCCCNC(=O)CN(C)C(=O)C 527a_200000213093_100103153847 [0,1,0,0,0,0|2,0,0]=3 1625 B12R0.123 CCCCNC(=O)CN(C)C(=O)N 240690a_100000102301_100000218718 [0,1,0,0,0,0|3,0,0]=4 1626 B12R0.123 CCCCNC(=O)N[C@H](C)C(=O)N 273464a_100000102301_100000119354 [0,1,0,0,0,0|3,0,0]=4 1627 B12R0.123 CCCCNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100000102301 [0,1,0,0,0,0|3,0,0]=4 1628 B12R0.123 CCCCNC(=O)N[C@H](C)C(=O)N 512a_100000102301_100000119354 [0,1,0,0,0,0|3,0,0]=4 1629 B12R0.123 CCCCNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100000102301 [0,1,0,0,0,0|3,0,0]=4 1630 B12R0.123 CCCCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000211628 [0,1,0,0,0,0|1,0,2]=4 1631 B12R0.123 CCCCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000211628 [0,1,0,0,0,0|1,0,2]=4 1632 B12R0.123 CCCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000211628 [0,1,0,0,0,0|0,0,3]=4 1633 B12R0.123 CCCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000211628 [0,1,0,0,0,0|0,0,3]=4 1634 B12R0.123 CCCCOC(=O)CN(C)C(C)C 269982a_200000211004_100000211628 [0,1,0,0,0,0|2,0,1]=4 1635 B12R0.123 CCCNNC(=O)CN(C)C(=O)C 22a_100000740057_100000194957 [0,1,0,0,0,0|3,0,0]=4 1636 B12R0.123 CCCOCC(=O)CC(=O)C(=O)C 1458a_100000745993_100011261029 [0,1,0,0,0,0|2,0,1]=4 1637 B12R0.123 CCCSCC(=O)CC(=O)C(=O)C 1458a_100000217233_100011261029 [0,1,0,0,0,0|2,0,1]=4 1638 B12R0.123 CCOCCC(=O)CC(=O)C(=O)C 1458a_100000749530_100011261029 [0,1,0,0,0,0|2,0,1]=4 1639 B12R0.123 CCOCCC(=O)CN(C)C(=O)C 1458a_100000194957_100011215890 [0,1,0,0,0,0|3,0,0]=4 1640 B12R0.123 CCSCCC(=O)CC(=O)C(=O)C 1458a_100000230768_100011261029 [0,1,0,0,0,0|2,0,1]=4 1641 B12R0.123 CCSCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000757381 [0,1,0,0,0,0|3,0,0]=4 1642 B12R0.123 COCCCC(=O)CC(=O)C(=O)C 1458a_100000741012_100011261029 [0,1,0,0,0,0|2,0,1]=4 1643 B12R0.123 COCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000740836 [0,1,0,0,0,0|3,0,0]=4 1644 B12R0.123 COCCNC(=O)CN(C)C(=O)C 1626a_100000209980_100000194957 [0,1,0,0,0,0|3,0,0]=4 1645 B12R0.123 COCCNC(=O)CN(C)C(=O)C 1626a_100020672463_100015343762 [0,1,0,0,0,0|3,0,0]=4 1646 B12R0.123 COCCNC(=O)CN(C)C(=O)C 240690a_100000209980_100000194957 [0,1,0,0,0,0|3,0,0]=4 1647 B12R0.123 COCCNC(=O)CN(C)C(=O)C 240690a_100020672463_100015343762 [0,1,0,0,0,0|3,0,0]=4 1648 B12R0.123 COCCNC(=O)CN(C)C(=O)C 527a_100000209980_100000194957 [0,1,0,0,0,0|3,0,0]=4 1649 B12R0.123 COCCNC(=O)CN(C)C(=O)C 527a_100020672463_100103153847 [0,1,0,0,0,0|3,0,0]=4 1650 B12R0.123 CSCCCC(=O)CC(=O)C(=O)C 1458a_100000173376_100011261029 [0,1,0,0,0,0|2,0,1]=4 1651 B12R0.123 CSCCNC(=O)CN(C)C(=O)C 11a_100020590264_100000194957 [0,1,0,0,0,0|3,0,0]=4 1652 B12R0.123 CSCCNC(=O)CN(C)C(=O)C 1626a_100020590264_100000194957 [0,1,0,0,0,0|3,0,0]=4 1653 B12R0.123 CSCCNC(=O)CN(C)C(=O)C 240690a_100020590264_100000194957 [0,1,0,0,0,0|3,0,0]=4 1654 B12R0.123 CSCCNC(=O)CN(C)C(=O)C 527a_100020590264_100000194957 [0,1,0,0,0,0|3,0,0]=4 1655 B12R0.124 CCCCOC(CCl)COC(=O)C 7a_200000139349_100000210211 [0,1,0,0,0,0|2,0,1]=4 1656 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 11a_100000225649_100000212188 [0,1,0,0,0,0|3,0,0]=4 1657 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 1626a_100000225649_100000212188 [0,1,0,0,0,0|3,0,0]=4 1658 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 527a_100000225649_100000212188 [0,1,0,0,0,0|3,0,0]=4 1659 B12R0.141 C=C(C)CN(C)C(=O)NCCCC 2708a_100000102301_100000225649 [0,1,0,0,0,0|3,0,0]=4 1660 B12R0.141 C=C(C)CN(C)C(=O)NCCCC 273464a_100000102301_100000225649 [0,1,0,0,0,0|3,0,0]=4 1661 B12R0.141 C=C(NC(=O)C)C(=O)NCCCC 240690a_100000102301_100000758921 [0,1,0,0,0,0|2,0,1]=4 1662 B12R0.141 CC(=O)N[C@H](C)C(=O)CCCCF 1458a_100011504603_100000729493 [0,1,0,0,0,0|3,0,0]=4 1663 B12R0.141 CC(=O)N[C@H](C)C(=O)CCCCO 1458a_100011504603_100000210776 [0,1,0,0,0,0|3,0,0]=4 1664 B12R0.141 CC(=O)N[C@H](C)C(=O)NCCCF 11a_100015189416_100011504603 [0,1,0,0,0,0|3,0,0]=4 1665 B12R0.141 CC(=O)N[C@H](C)C(=O)NCCCF 1626a_100015189416_100011504603 [0,1,0,0,0,0|3,0,0]=4 1666 B12R0.141 CC(=O)N[C@H](C)C(=O)NCCCF 240690a_100015189416_100011504603 [0,1,0,0,0,0|3,0,0]=4 1667 B12R0.141 CC(=O)N[C@H](C)C(=O)NCCCF 527a_100015189416_100011504603 [0,1,0,0,0,0|3,0,0]=4 1668 B12R0.141 CC(=O)N[C@H](C)C(=O)NCCCO 240690a_100000182051_100011504603 [0,1,0,0,0,0|3,0,0]=4 1669 B12R0.141 CC(=O)N[C@H](C)C(=O)NCCCO 527a_100000182051_100011504603 [0,1,0,0,0,0|3,0,0]=4 1670 B12R0.141 CC(=O)OC(C)C(=O)CCCCO 1458a_100000695505_100009818208 [0,1,0,0,0,0|3,0,0]=4 1671 B12R0.141 CC(=O)O[C@@H](C)C(=O)CCCCF 1458a_100009816467_100000729493 [0,1,0,0,0,0|3,0,0]=4 1672 B12R0.141 CC(=O)O[C@@H](C)C(=O)CCCCO 1458a_100009816467_100000210776 [0,1,0,0,0,0|3,0,0]=4 1673 B12R0.141 CC(=O)O[C@@H](C)C(=O)NCCCF 11a_100015189416_100009816467 [0,1,0,0,0,0|3,0,0]=4 1674 B12R0.141 CC(=O)O[C@@H](C)C(=O)NCCCF 1626a_100015189416_100009816467 [0,1,0,0,0,0|3,0,0]=4 1675 B12R0.141 CC(=O)O[C@@H](C)C(=O)NCCCF 240690a_100015189416_100009816467 [0,1,0,0,0,0|3,0,0]=4 1676 B12R0.141 CC(=O)O[C@@H](C)C(=O)NCCCF 527a_100015189416_100009816467 [0,1,0,0,0,0|3,0,0]=4 1677 B12R0.141 CC(=O)O[C@@H](C)C(=O)NCCCO 240690a_100000182051_100009816467 [0,1,0,0,0,0|3,0,0]=4 1678 B12R0.141 CC(=O)O[C@@H](C)C(=O)NCCCO 527a_100000182051_100009816467 [0,1,0,0,0,0|3,0,0]=4 1679 B12R0.141 CCCC#CC(=O)C(C)OC(=O)C 1458a_200011218047_100009818208 [0,1,0,0,0,0|2,0,1]=4 1680 B12R0.141 CCCC=CC(=O)C(C)OC(=O)C 1458a_100000212230_100009818208 [0,1,0,0,0,0|2,0,1]=4 1681 B12R0.141 CCCCCC(=O)C(C)CC(C)C 1458a_100000212188_100000731052 [0,1,0,0,0,0|2,0,1]=4 1682 B12R0.141 CCCCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210326 [0,1,0,0,0,0|3,0,0]=4 1683 B12R0.141 CCCCCC(=O)C(C)OC(=O)C 1458a_100000212188_100009818208 [0,1,0,0,0,0|2,0,0]=3 1684 B12R0.141 CCCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000212188 [0,1,0,0,0,0|3,0,0]=4 1685 B12R0.141 CCCCCC(=O)N(C)CC(=O)N 527a_100000739694_100000212188 [0,1,0,0,0,0|3,0,0]=4 1686 B12R0.141 CCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210326 [0,1,0,0,0,0|2,0,0]=3 1687 B12R0.141 CCCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210326 [0,1,0,0,0,0|2,0,1]=4 1688 B12R0.141 CCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210326 [0,1,0,0,0,0|2,0,0]=3 1689 B12R0.141 CCCCNC(=O)C(C)CN(C)C 1626a_100000102301_200015186601 [0,1,0,0,0,0|3,0,0]=4 1690 B12R0.141 CCCCNC(=O)C(C)CN(C)C 240690a_100000102301_200015186601 [0,1,0,0,0,0|3,0,0]=4 1691 B12R0.141 CCCCNC(=O)N(C)CC(=O)N 2708a_100000102301_100000739694 [0,1,0,0,0,0|3,0,0]=4 1692 B12R0.141 CCCCNC(=O)N(C)CC(=O)N 273464a_100000102301_100000739694 [0,1,0,0,0,0|3,0,0]=4 1693 B12R0.141 CCCCNC(=O)[C@@H](C)NC(=O)C 11a_100000102301_100011504603 [0,1,0,0,0,0|2,0,0]=3 1694 B12R0.141 CCCCNC(=O)[C@@H](C)NC(=O)C 1626a_100000102301_100011504603 [0,1,0,0,0,0|2,0,0]=3 1695 B12R0.141 CCCCNC(=O)[C@@H](C)NC(=O)C 240690a_100000102301_100011504603 [0,1,0,0,0,0|2,0,0]=3 1696 B12R0.141 CCCCNC(=O)[C@@H](C)NC(=O)C 527a_100000102301_100011504603 [0,1,0,0,0,0|2,0,0]=3 1697 B12R0.141 CCCCNC(=O)[C@@H](O)CC(C)C 1626a_100000102301_100012027011 [0,1,0,0,0,0|2,0,1]=4 1698 B12R0.141 CCCCNC(=O)[C@@H](O)CC(C)C 240690a_100000102301_100012027011 [0,1,0,0,0,0|2,0,1]=4 1699 B12R0.141 CCCCNC(=O)[C@H](C)OC(=O)C 11a_100000102301_100009816467 [0,1,0,0,0,0|2,0,0]=3 1700 B12R0.141 CCCCNC(=O)[C@H](C)OC(=O)C 1626a_100000102301_100009816467 [0,1,0,0,0,0|2,0,0]=3 1701 B12R0.141 CCCCNC(=O)[C@H](C)OC(=O)C 240690a_100000102301_100009816467 [0,1,0,0,0,0|2,0,0]=3 1702 B12R0.141 CCCCNC(=O)[C@H](C)OC(=O)C 527a_100000102301_100009816467 [0,1,0,0,0,0|2,0,0]=3 1703 B12R0.141 CCCCOC(=O)C(C)NC(C)C 2230a_100138425928_100000759602 [0,1,0,0,0,0|2,0,1]=4 1704 B12R0.141 CCCCOC(=O)C(C)NC(C)C 34a_100138425928_100000759602 [0,1,0,0,0,0|2,0,1]=4 1705 B12R0.141 CCCCOC(=O)C(C)OC(C)C 34a_100000038973_100000210206 [0,1,0,0,0,0|2,0,1]=4 1706 B12R0.141 CCCCOC(=O)C(C)OC(C)C 34a_100000212225_100000759602 [0,1,0,0,0,0|2,0,1]=4 1707 B12R0.141 CCCCOC(=O)C(C)OC(C)C 7a_100000038973_100000210206 [0,1,0,0,0,0|2,0,1]=4 1708 B12R0.141 CCCCOC(=O)C(C)SC(C)C 62a_100000210206_100000759602 [0,1,0,0,0,0|2,0,1]=4 1709 B12R0.141 CCCCOC(=O)C(C)SC(C)C 62a_100000759602_100000210206 [0,1,0,0,0,0|2,0,1]=4 1710 B12R0.141 CCCNNC(=O)[C@@H](C)NC(=O)C 22a_100000740057_100011504603 [0,1,0,0,0,0|3,0,0]=4 1711 B12R0.141 CCCOCC(=O)C(C)OC(=O)C 1458a_100000745993_100009818208 [0,1,0,0,0,0|3,0,0]=4 1712 B12R0.141 CCCSCC(=O)C(C)OC(=O)C 1458a_100000217233_100009818208 [0,1,0,0,0,0|3,0,0]=4 1713 B12R0.141 CCOCCC(=O)C(C)OC(=O)C 1458a_100000749530_100009818208 [0,1,0,0,0,0|3,0,0]=4 1714 B12R0.141 CCOCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100011215890 [0,1,0,0,0,0|3,0,0]=4 1715 B12R0.141 CCOCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011215890 [0,1,0,0,0,0|3,0,0]=4 1716 B12R0.141 CCSCCC(=O)C(C)OC(=O)C 1458a_100000230768_100009818208 [0,1,0,0,0,0|3,0,0]=4 1717 B12R0.141 CCSCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000757381 [0,1,0,0,0,0|3,0,0]=4 1718 B12R0.141 CCSCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000757381 [0,1,0,0,0,0|3,0,0]=4 1719 B12R0.141 COCCCC(=O)C(C)OC(=O)C 1458a_100000741012_100009818208 [0,1,0,0,0,0|3,0,0]=4 1720 B12R0.141 COCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000740836 [0,1,0,0,0,0|3,0,0]=4 1721 B12R0.141 COCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000740836 [0,1,0,0,0,0|3,0,0]=4 1722 B12R0.141 COCCNC(=O)[C@@H](C)NC(=O)C 1626a_100000209980_100011504603 [0,1,0,0,0,0|3,0,0]=4 1723 B12R0.141 COCCNC(=O)[C@@H](C)NC(=O)C 240690a_100000209980_100011504603 [0,1,0,0,0,0|3,0,0]=4 1724 B12R0.141 COCCNC(=O)[C@@H](C)NC(=O)C 527a_100000209980_100011504603 [0,1,0,0,0,0|3,0,0]=4 1725 B12R0.141 COCCNC(=O)[C@H](C)OC(=O)C 1626a_100000209980_100009816467 [0,1,0,0,0,0|3,0,0]=4 1726 B12R0.141 COCCNC(=O)[C@H](C)OC(=O)C 240690a_100000209980_100009816467 [0,1,0,0,0,0|3,0,0]=4 1727 B12R0.141 COCCNC(=O)[C@H](C)OC(=O)C 527a_100000209980_100009816467 [0,1,0,0,0,0|3,0,0]=4 1728 B12R0.141 CSCCCC(=O)C(C)OC(=O)C 1458a_100000173376_100009818208 [0,1,0,0,0,0|3,0,0]=4 1729 B12R0.141 CSCCNC(=O)[C@@H](C)NC(=O)C 11a_100020590264_100011504603 [0,1,0,0,0,0|3,0,0]=4 1730 B12R0.141 CSCCNC(=O)[C@@H](C)NC(=O)C 1626a_100020590264_100011504603 [0,1,0,0,0,0|3,0,0]=4 1731 B12R0.141 CSCCNC(=O)[C@@H](C)NC(=O)C 240690a_100020590264_100011504603 [0,1,0,0,0,0|3,0,0]=4 1732 B12R0.141 CSCCNC(=O)[C@@H](C)NC(=O)C 527a_100020590264_100011504603 [0,1,0,0,0,0|3,0,0]=4 1733 B12R0.141 CSCCNC(=O)[C@H](C)OC(=O)C 11a_100020590264_100009816467 [0,1,0,0,0,0|3,0,0]=4 1734 B12R0.141 CSCCNC(=O)[C@H](C)OC(=O)C 1626a_100020590264_100009816467 [0,1,0,0,0,0|3,0,0]=4 1735 B12R0.141 CSCCNC(=O)[C@H](C)OC(=O)C 240690a_100020590264_100009816467 [0,1,0,0,0,0|3,0,0]=4 1736 B12R0.141 CSCCNC(=O)[C@H](C)OC(=O)C 527a_100020590264_100009816467 [0,1,0,0,0,0|3,0,0]=4 1737 B12R0.142 C#CC(C)NCC(=O)OCCCC 2230a_100000707721_100000211628 [0,1,0,0,0,0|2,0,1]=4 1738 B12R0.142 C#CC(C)NCC(=O)OCCCC 34a_100000707721_100000211628 [0,1,0,0,0,0|2,0,1]=4 1739 B12R0.142 C#CC(C)SCC(=O)OCCCC 62a_200000035995_100000211628 [0,1,0,0,0,0|2,0,1]=4 1740 B12R0.142 C#CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000731252 [0,1,0,0,0,0|1,0,2]=4 1741 B12R0.142 C#CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000731252 [0,1,0,0,0,0|1,0,2]=4 1742 B12R0.142 C#CCCNC(=O)CCC(=O)NC 11a_100000755551_100011309844 [0,1,0,0,0,0|1,0,2]=4 1743 B12R0.142 C#CCCNC(=O)CCC(=O)NC 1626a_100000755551_100011309844 [0,1,0,0,0,0|1,0,2]=4 1744 B12R0.142 C#CCCNC(=O)CCC(=O)NC 240690a_100000755551_100011309844 [0,1,0,0,0,0|1,0,2]=4 1745 B12R0.142 C#CCCNC(=O)CCC(=O)NC 527a_100000755551_100011309844 [0,1,0,0,0,0|1,0,2]=4 1746 B12R0.142 C#CCCNC(=O)CCC(=O)OC 11a_100000755551_100000187943 [0,1,0,0,0,0|1,0,2]=4 1747 B12R0.142 C#CCCNC(=O)CCC(=O)OC 1626a_100000755551_100000187943 [0,1,0,0,0,0|1,0,2]=4 1748 B12R0.142 C#CCCNC(=O)CCC(=O)OC 240690a_100000755551_100000187943 [0,1,0,0,0,0|1,0,2]=4 1749 B12R0.142 C#CCCNC(=O)CCC(=O)OC 527a_100000755551_100000187943 [0,1,0,0,0,0|1,0,2]=4 1750 B12R0.142 C#C[C@@H](C)OCC(=O)OCCCC 34a_100009815206_100000211628 [0,1,0,0,0,0|2,0,1]=4 1751 B12R0.142 C#C[C@@H](C)OCC(=O)OCCCC 7a_100009815206_100000211628 [0,1,0,0,0,0|2,0,1]=4 1752 B12R0.142 C=CC(=O)NCC(=O)CCCCC 1458a_200011222540_100000210326 [0,1,0,0,0,0|2,0,1]=4 1753 B12R0.142 C=CC(=O)NCC(=O)NCCCC 11a_100000102301_200011222540 [0,1,0,0,0,0|2,0,1]=4 1754 B12R0.142 C=CC(=O)NCC(=O)NCCCC 240690a_100000102301_200011222540 [0,1,0,0,0,0|2,0,1]=4 1755 B12R0.142 C=CC(=O)NCC(=O)NCCCC 527a_100000102301_200011222540 [0,1,0,0,0,0|2,0,1]=4 1756 B12R0.142 C=CC(C)OCC(=O)OCCCC 34a_100000695699_100000211628 [0,1,0,0,0,0|2,0,1]=4 1757 B12R0.142 C=CC(C)SCC(=O)OCCCC 62a_100011215867_100000211628 [0,1,0,0,0,0|2,0,1]=4 1758 B12R0.142 C=CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000757094 [0,1,0,0,0,0|1,0,2]=4 1759 B12R0.142 C=CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000757094 [0,1,0,0,0,0|1,0,2]=4 1760 B12R0.142 C=CCCNC(=O)CCC(=O)NC 11a_100015191253_100011309844 [0,1,0,0,0,0|1,0,2]=4 1761 B12R0.142 C=CCCNC(=O)CCC(=O)NC 1626a_100015191253_100011309844 [0,1,0,0,0,0|1,0,2]=4 1762 B12R0.142 C=CCCNC(=O)CCC(=O)NC 240690a_100015191253_100011309844 [0,1,0,0,0,0|1,0,2]=4 1763 B12R0.142 C=CCCNC(=O)CCC(=O)NC 527a_100015191253_100011309844 [0,1,0,0,0,0|1,0,2]=4 1764 B12R0.142 C=CCCNC(=O)CCC(=O)OC 11a_100015191253_100000187943 [0,1,0,0,0,0|1,0,2]=4 1765 B12R0.142 C=CCCNC(=O)CCC(=O)OC 1626a_100015191253_100000187943 [0,1,0,0,0,0|1,0,2]=4 1766 B12R0.142 C=CCCNC(=O)CCC(=O)OC 240690a_100015191253_100000187943 [0,1,0,0,0,0|1,0,2]=4 1767 B12R0.142 C=CCCNC(=O)CCC(=O)OC 527a_100015191253_100000187943 [0,1,0,0,0,0|1,0,2]=4 1768 B12R0.142 CC#CCNC(=O)CCC(=O)NC 11a_100000685387_100011309844 [0,1,0,0,0,0|1,0,2]=4 1769 B12R0.142 CC#CCNC(=O)CCC(=O)NC 1626a_100000685387_100011309844 [0,1,0,0,0,0|1,0,2]=4 1770 B12R0.142 CC#CCNC(=O)CCC(=O)NC 527a_100000685387_100011309844 [0,1,0,0,0,0|1,0,2]=4 1771 B12R0.142 CC#CCNC(=O)CCC(=O)OC 11a_100000685387_100000187943 [0,1,0,0,0,0|1,0,2]=4 1772 B12R0.142 CC#CCNC(=O)CCC(=O)OC 1626a_100000685387_100000187943 [0,1,0,0,0,0|1,0,2]=4 1773 B12R0.142 CC#CCNC(=O)CCC(=O)OC 527a_100000685387_100000187943 [0,1,0,0,0,0|1,0,2]=4 1774 B12R0.142 CC/C=C\CC(=O)CCC(=O)NC 1458a_100011309844_100103147603 [0,1,0,0,0,0|1,0,2]=4 1775 B12R0.142 CC/C=C\CC(=O)CCC(=O)OC 1458a_100000187943_100103147603 [0,1,0,0,0,0|1,0,2]=4 1776 B12R0.142 CCC#CCC(=O)CCC(=O)NC 1458a_100011309844_100009813939 [0,1,0,0,0,0|1,0,2]=4 1777 B12R0.142 CCC#CCC(=O)CCC(=O)OC 1458a_100000187943_100009813939 [0,1,0,0,0,0|1,0,2]=4 1778 B12R0.142 CCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210202 [0,1,0,0,0,0|1,0,1]=3 1779 B12R0.142 CCC(=O)NCC(=O)CCCCF 1458a_100000194589_100000729493 [0,1,0,0,0,0|3,0,0]=4 1780 B12R0.142 CCC(=O)NCC(=O)CCCCO 1458a_100000194589_100000210776 [0,1,0,0,0,0|3,0,0]=4 1781 B12R0.142 CCC(=O)NCC(=O)CCCOC 1458a_100000194589_100000740836 [0,1,0,0,0,0|3,0,0]=4 1782 B12R0.142 CCC(=O)NCC(=O)NCCCF 11a_100015189416_100000194589 [0,1,0,0,0,0|3,0,0]=4 1783 B12R0.142 CCC(=O)NCC(=O)NCCCF 1626a_100015189416_100000194589 [0,1,0,0,0,0|3,0,0]=4 1784 B12R0.142 CCC(=O)NCC(=O)NCCCF 240690a_100015189416_100000194589 [0,1,0,0,0,0|3,0,0]=4 1785 B12R0.142 CCC(=O)NCC(=O)NCCCF 527a_100015189416_100000194589 [0,1,0,0,0,0|3,0,0]=4 1786 B12R0.142 CCC(=O)NCC(=O)NCCCO 240690a_100000182051_100000194589 [0,1,0,0,0,0|3,0,0]=4 1787 B12R0.142 CCC(=O)NCC(=O)NCCCO 527a_100000182051_100000194589 [0,1,0,0,0,0|3,0,0]=4 1788 B12R0.142 CCC(=O)NCC(=O)NCCOC 1626a_100000209980_100000194589 [0,1,0,0,0,0|3,0,0]=4 1789 B12R0.142 CCC(=O)NCC(=O)NCCOC 1626a_100000754632_100000210414 [0,1,0,0,0,0|3,0,0]=4 1790 B12R0.142 CCC(=O)NCC(=O)NCCOC 240690a_100000209980_100000194589 [0,1,0,0,0,0|3,0,0]=4 1791 B12R0.142 CCC(=O)NCC(=O)NCCOC 240690a_100000754632_100000210414 [0,1,0,0,0,0|3,0,0]=4 1792 B12R0.142 CCC(=O)NCC(=O)NCCOC 527a_100000209980_100000194589 [0,1,0,0,0,0|3,0,0]=4 1793 B12R0.142 CCC(=O)NCC(=O)NCCOC 527a_100000754632_100000210414 [0,1,0,0,0,0|3,0,0]=4 1794 B12R0.142 CCC(=O)NCC(=O)NCCSC 11a_100020590264_100000194589 [0,1,0,0,0,0|3,0,0]=4 1795 B12R0.142 CCC(=O)NCC(=O)NCCSC 1626a_100020590264_100000194589 [0,1,0,0,0,0|3,0,0]=4 1796 B12R0.142 CCC(=O)NCC(=O)NCCSC 240690a_100020590264_100000194589 [0,1,0,0,0,0|3,0,0]=4 1797 B12R0.142 CCC(=O)NCC(=O)NCCSC 527a_100020590264_100000194589 [0,1,0,0,0,0|3,0,0]=4 1798 B12R0.142 CCCC#CC(=O)NCC(=O)NC 240690a_100000693194_200011218047 [0,1,0,0,0,0|2,0,1]=4 1799 B12R0.142 CCCC=CC(=O)NCC(=O)NC 11a_100000693194_100000212230 [0,1,0,0,0,0|2,0,1]=4 1800 B12R0.142 CCCC=CC(=O)NCC(=O)NC 240690a_100000693194_100000212230 [0,1,0,0,0,0|2,0,1]=4 1801 B12R0.142 CCCC=CC(=O)NCC(=O)OC 188690a_100000185156_100000212230 [0,1,0,0,0,0|2,0,1]=4 1802 B12R0.142 CCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210326 [0,1,0,0,0,0|1,0,2]=4 1803 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,1,0,0,0,0|1,0,0]=2 1804 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,1,0,0,0,0|1,0,0]=2 1805 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [0,1,0,0,0,0|2,0,1]=4 1806 B12R0.142 CCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210326 [0,1,0,0,0,0|3,0,0]=4 1807 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [0,1,0,0,0,0|2,0,0]=3 1808 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [0,1,0,0,0,0|2,0,0]=3 1809 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [0,1,0,0,0,0|2,0,0]=3 1810 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,1,0,0,0,0|2,0,0]=3 1811 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,1,0,0,0,0|2,0,0]=3 1812 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,1,0,0,0,0|2,0,0]=3 1813 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,1,0,0,0,0|2,0,0]=3 1814 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000183195_100000212188 [0,1,0,0,0,0|3,0,0]=4 1815 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000189784_100000210414 [0,1,0,0,0,0|3,0,0]=4 1816 B12R0.142 CCCCCC(=O)NNC(=O)CO 22a_100000189784_100000210174 [0,1,0,0,0,0|3,0,0]=4 1817 B12R0.142 CCCCCC(=O)NNC(=O)NC 273464a_100102657272_100000189784 [0,1,0,0,0,0|3,0,0]=4 1818 B12R0.142 CCCCCC(=O)NNC(=O)NC 512a_100000189784_100102657272 [0,1,0,0,0,0|3,0,0]=4 1819 B12R0.142 CCCCCC(=O)NNC(=O)NC 512a_106832991638_100000189784 [0,1,0,0,0,0|3,0,0]=4 1820 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,1,0,0,0,0|2,0,1]=4 1821 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,1,0,0,0,0|2,0,1]=4 1822 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,1,0,0,0,0|2,0,1]=4 1823 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,1,0,0,0,0|2,0,1]=4 1824 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,1,0,0,0,0|2,0,1]=4 1825 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,1,0,0,0,0|2,0,1]=4 1826 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,1,0,0,0,0|3,0,0]=4 1827 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [0,1,0,0,0,0|3,0,0]=4 1828 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [0,1,0,0,0,0|3,0,0]=4 1829 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [0,1,0,0,0,0|3,0,0]=4 1830 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [0,1,0,0,0,0|3,0,0]=4 1831 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [0,1,0,0,0,0|3,0,0]=4 1832 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [0,1,0,0,0,0|3,0,0]=4 1833 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,1,0,0,0,0|3,0,0]=4 1834 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,1,0,0,0,0|3,0,0]=4 1835 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,1,0,0,0,0|3,0,0]=4 1836 B12R0.142 CCCCNC(=O)C=CC(=O)NC 1626a_100000102301_100016259477 [0,1,0,0,0,0|1,0,2]=4 1837 B12R0.142 CCCCNC(=O)C=CC(=O)OC 1626a_100000102301_100016283253 [0,1,0,0,0,0|1,0,2]=4 1838 B12R0.142 CCCCNC(=O)CCC(=O)NC 11a_100000102301_100011309844 [0,1,0,0,0,0|1,0,0]=2 1839 B12R0.142 CCCCNC(=O)CCC(=O)NC 1626a_100000102301_100011309844 [0,1,0,0,0,0|1,0,0]=2 1840 B12R0.142 CCCCNC(=O)CCC(=O)NC 240690a_100000102301_100011309844 [0,1,0,0,0,0|1,0,0]=2 1841 B12R0.142 CCCCNC(=O)CCC(=O)NC 527a_100000102301_100011309844 [0,1,0,0,0,0|1,0,0]=2 1842 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [0,1,0,0,0,0|1,0,0]=2 1843 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [0,1,0,0,0,0|1,0,0]=2 1844 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [0,1,0,0,0,0|1,0,0]=2 1845 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [0,1,0,0,0,0|1,0,0]=2 1846 B12R0.142 CCCCNC(=O)CCC(C)CC 11a_100000102301_100000701222 [0,1,0,0,0,0|2,0,1]=4 1847 B12R0.142 CCCCNC(=O)CCC(C)CC 1626a_100000102301_100000701222 [0,1,0,0,0,0|2,0,1]=4 1848 B12R0.142 CCCCNC(=O)CCC(C)CC 240690a_100000102301_100000701222 [0,1,0,0,0,0|2,0,1]=4 1849 B12R0.142 CCCCNC(=O)CCC(C)CC 527a_100000102301_100000701222 [0,1,0,0,0,0|2,0,1]=4 1850 B12R0.142 CCCCNC(=O)CCC(O)CC 1626a_100000102301_203496584001 [0,1,0,0,0,0|1,0,2]=4 1851 B12R0.142 CCCCNC(=O)CCC(O)CC 240690a_100000102301_203496584001 [0,1,0,0,0,0|1,0,2]=4 1852 B12R0.142 CCCCNC(=O)CCN(C)CC 240690a_100000102301_100000755305 [0,1,0,0,0,0|3,0,0]=4 1853 B12R0.142 CCCCNC(=O)CCS(=O)CC 11a_100000102301_100011387550 [0,1,0,0,0,0|2,0,0]=3 1854 B12R0.142 CCCCNC(=O)CCS(=O)CC 1626a_100000102301_100011387550 [0,1,0,0,0,0|2,0,0]=3 1855 B12R0.142 CCCCNC(=O)CCS(=O)CC 240690a_100000102301_100011387550 [0,1,0,0,0,0|2,0,0]=3 1856 B12R0.142 CCCCNC(=O)CCS(=O)CC 527a_100000102301_100011387550 [0,1,0,0,0,0|2,0,0]=3 1857 B12R0.142 CCCCNC(=O)CNC(=O)CC 11a_100000102301_100000194589 [0,1,0,0,0,0|2,0,0]=3 1858 B12R0.142 CCCCNC(=O)CNC(=O)CC 1626a_100000102301_100000194589 [0,1,0,0,0,0|2,0,0]=3 1859 B12R0.142 CCCCNC(=O)CNC(=O)CC 240690a_100000102301_100000194589 [0,1,0,0,0,0|2,0,0]=3 1860 B12R0.142 CCCCNC(=O)CNC(=O)CC 527a_100000102301_100000194589 [0,1,0,0,0,0|2,0,0]=3 1861 B12R0.142 CCCCNC(=O)CNC(=O)OC 11a_100000102301_100000215747 [0,1,0,0,0,0|2,0,0]=3 1862 B12R0.142 CCCCNC(=O)CNC(=O)OC 1626a_100000102301_100000215747 [0,1,0,0,0,0|2,0,0]=3 1863 B12R0.142 CCCCNC(=O)CNC(=O)OC 240690a_100000102301_100000215747 [0,1,0,0,0,0|2,0,0]=3 1864 B12R0.142 CCCCNC(=O)CNC(=O)OC 527a_100000102301_100000215747 [0,1,0,0,0,0|2,0,0]=3 1865 B12R0.142 CCCCNC(=O)NCC(=O)NC 2708a_100000102301_100000693194 [0,1,0,0,0,0|2,0,0]=3 1866 B12R0.142 CCCCNC(=O)NCC(=O)NC 273464a_100000102301_100000693194 [0,1,0,0,0,0|2,0,0]=3 1867 B12R0.142 CCCCNC(=O)NCC(=O)NC 273464a_100000693194_100000102301 [0,1,0,0,0,0|2,0,0]=3 1868 B12R0.142 CCCCNC(=O)NCC(=O)NC 512a_100000102301_100000693194 [0,1,0,0,0,0|2,0,0]=3 1869 B12R0.142 CCCCNC(=O)NNC(=O)CC 273464a_100000102301_100000183195 [0,1,0,0,0,0|3,0,0]=4 1870 B12R0.142 CCCCNC(=O)NNC(=O)CC 512a_100000102301_100000183195 [0,1,0,0,0,0|3,0,0]=4 1871 B12R0.142 CCCCOC(=O)C=CC(=O)NC 1626a_100102657272_100015195251 [0,1,0,0,0,0|0,0,2]=3 1872 B12R0.142 CCCCOC(=O)C=CC(=O)NC 240690a_100102657272_100015195251 [0,1,0,0,0,0|0,0,2]=3 1873 B12R0.142 CCCCOC(=O)CNC(C)C#N 2230a_100000737613_100000211628 [0,1,0,0,0,0|2,0,1]=4 1874 B12R0.142 CCCCOC(=O)CNC(C)CC 2230a_100000209981_100000211628 [0,1,0,0,0,0|2,0,1]=4 1875 B12R0.142 CCCCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000211628 [0,1,0,0,0,0|1,0,2]=4 1876 B12R0.142 CCCCOC(=O)COC(C)C#N 34a_100011218135_100000211628 [0,1,0,0,0,0|2,0,1]=4 1877 B12R0.142 CCCCOC(=O)COC(C)CC 7a_100000210228_100000211628 [0,1,0,0,0,0|2,0,1]=4 1878 B12R0.142 CCCCOC(=O)COC(C)CF 34a_100016041109_100000211628 [0,1,0,0,0,0|2,0,1]=4 1879 B12R0.142 CCCCOC(=O)COC(C)CF 7a_100016041109_100000211628 [0,1,0,0,0,0|2,0,1]=4 1880 B12R0.142 CCCCOC(=O)COC(C)CN 34a_100000210904_100000211628 [0,1,0,0,0,0|2,0,1]=4 1881 B12R0.142 CCCCOC(=O)CSC(C)C#N 62a_100000211628_100000703298 [0,1,0,0,0,0|2,0,1]=4 1882 B12R0.142 CCCCOC(=O)CSC(C)C#N 62a_100000703298_100000211628 [0,1,0,0,0,0|2,0,1]=4 1883 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000211628_100000758301 [0,1,0,0,0,0|2,0,1]=4 1884 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000758301_100000211628 [0,1,0,0,0,0|2,0,1]=4 1885 B12R0.142 CCCCOC(=O)CSC(C)CO 62a_100012180447_100000211628 [0,1,0,0,0,0|1,0,2]=4 1886 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100000211628_100009879195 [0,1,0,0,0,0|1,0,2]=4 1887 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100009879195_100000211628 [0,1,0,0,0,0|1,0,2]=4 1888 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100000211628_100016084084 [0,1,0,0,0,0|1,0,2]=4 1889 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100016084084_100000211628 [0,1,0,0,0,0|1,0,2]=4 1890 B12R0.142 CCCNN=C(C)CCC(=O)OC 4a_100000740057_100000756497 [0,1,0,0,0,0|3,0,0]=4 1891 B12R0.142 CCCNNC(=O)CCC(=O)NC 22a_100000740057_100011309844 [0,1,0,0,0,0|2,0,0]=3 1892 B12R0.142 CCCNNC(=O)CNC(=O)CC 22a_100000740057_100000194589 [0,1,0,0,0,0|3,0,0]=4 1893 B12R0.142 CCCNNC(=O)CNC(=O)OC 22a_100000740057_100000215747 [0,1,0,0,0,0|3,0,0]=4 1894 B12R0.142 CCCNNC(=O)NCC(=O)NC 273464a_100000693194_100000740057 [0,1,0,0,0,0|3,0,0]=4 1895 B12R0.142 CCCNNC(=O)NCC(=O)NC 512a_100000740057_100000693194 [0,1,0,0,0,0|3,0,0]=4 1896 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [0,1,0,0,0,0|2,0,0]=3 1897 B12R0.142 CCCOCC(=O)NCC(=O)NC 11a_100000693194_100000745993 [0,1,0,0,0,0|3,0,0]=4 1898 B12R0.142 CCCOCC(=O)NCC(=O)NC 240690a_100000693194_100000745993 [0,1,0,0,0,0|3,0,0]=4 1899 B12R0.142 CCCOCC(=O)NCC(=O)NC 527a_100000693194_100000745993 [0,1,0,0,0,0|3,0,0]=4 1900 B12R0.142 CCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000745993 [0,1,0,0,0,0|3,0,0]=4 1901 B12R0.142 CCCOCC(=O)NCC(=O)OC 34a_100000210258_100000182966 [0,1,0,0,0,0|3,0,0]=4 1902 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000210303_100000691467 [0,1,0,0,0,0|2,0,0]=3 1903 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210303 [0,1,0,0,0,0|2,0,0]=3 1904 B12R0.142 CCCSCC(=O)NCC(=O)NC 11a_100000693194_100000217233 [0,1,0,0,0,0|3,0,0]=4 1905 B12R0.142 CCCSCC(=O)NCC(=O)NC 240690a_100000693194_100000217233 [0,1,0,0,0,0|3,0,0]=4 1906 B12R0.142 CCCSCC(=O)NCC(=O)NC 527a_100000693194_100000217233 [0,1,0,0,0,0|3,0,0]=4 1907 B12R0.142 CCCSCC(=O)NCC(=O)OC 188690a_100000185156_100000217233 [0,1,0,0,0,0|3,0,0]=4 1908 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000182966_100000210303 [0,1,0,0,0,0|3,0,0]=4 1909 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000210303_100000182966 [0,1,0,0,0,0|3,0,0]=4 1910 B12R0.142 CCOCCC(=O)CCC(=O)NC 1458a_100011309844_100011215890 [0,1,0,0,0,0|2,0,0]=3 1911 B12R0.142 CCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215890 [0,1,0,0,0,0|2,0,0]=3 1912 B12R0.142 CCOCCC(=O)CCS(=O)CC 1458a_100011387550_100011215890 [0,1,0,0,0,0|3,0,0]=4 1913 B12R0.142 CCOCCC(=O)CNC(=O)CC 1458a_100000194589_100011215890 [0,1,0,0,0,0|3,0,0]=4 1914 B12R0.142 CCOCCC(=O)CNC(=O)OC 1458a_100000215747_100011215890 [0,1,0,0,0,0|3,0,0]=4 1915 B12R0.142 CCOCCC(=O)NCC(=O)NC 11a_100000693194_100000749530 [0,1,0,0,0,0|3,0,0]=4 1916 B12R0.142 CCOCCC(=O)NCC(=O)NC 240690a_100000693194_100000749530 [0,1,0,0,0,0|3,0,0]=4 1917 B12R0.142 CCOCCC(=O)NCC(=O)NC 527a_100000693194_100000749530 [0,1,0,0,0,0|3,0,0]=4 1918 B12R0.142 CCOCCC(=O)NCC(=O)OC 188690a_100000185156_100000749530 [0,1,0,0,0,0|3,0,0]=4 1919 B12R0.142 CCS(=O)CCC(=O)CCCCF 1458a_100011387550_100000729493 [0,1,0,0,0,0|3,0,0]=4 1920 B12R0.142 CCS(=O)CCC(=O)CCCCO 1458a_100011387550_100000210776 [0,1,0,0,0,0|3,0,0]=4 1921 B12R0.142 CCS(=O)CCC(=O)CCCOC 1458a_100011387550_100000740836 [0,1,0,0,0,0|3,0,0]=4 1922 B12R0.142 CCS(=O)CCC(=O)NCCCF 11a_100015189416_100011387550 [0,1,0,0,0,0|3,0,0]=4 1923 B12R0.142 CCS(=O)CCC(=O)NCCCF 1626a_100015189416_100011387550 [0,1,0,0,0,0|3,0,0]=4 1924 B12R0.142 CCS(=O)CCC(=O)NCCCF 240690a_100015189416_100011387550 [0,1,0,0,0,0|3,0,0]=4 1925 B12R0.142 CCS(=O)CCC(=O)NCCCF 527a_100015189416_100011387550 [0,1,0,0,0,0|3,0,0]=4 1926 B12R0.142 CCS(=O)CCC(=O)NCCCO 240690a_100000182051_100011387550 [0,1,0,0,0,0|3,0,0]=4 1927 B12R0.142 CCS(=O)CCC(=O)NCCCO 527a_100000182051_100011387550 [0,1,0,0,0,0|3,0,0]=4 1928 B12R0.142 CCS(=O)CCC(=O)NCCOC 1626a_100000209980_100011387550 [0,1,0,0,0,0|3,0,0]=4 1929 B12R0.142 CCS(=O)CCC(=O)NCCOC 240690a_100000209980_100011387550 [0,1,0,0,0,0|3,0,0]=4 1930 B12R0.142 CCS(=O)CCC(=O)NCCOC 527a_100000209980_100011387550 [0,1,0,0,0,0|3,0,0]=4 1931 B12R0.142 CCS(=O)CCC(=O)NCCSC 11a_100020590264_100011387550 [0,1,0,0,0,0|3,0,0]=4 1932 B12R0.142 CCS(=O)CCC(=O)NCCSC 1626a_100020590264_100011387550 [0,1,0,0,0,0|3,0,0]=4 1933 B12R0.142 CCS(=O)CCC(=O)NCCSC 240690a_100020590264_100011387550 [0,1,0,0,0,0|3,0,0]=4 1934 B12R0.142 CCS(=O)CCC(=O)NCCSC 527a_100020590264_100011387550 [0,1,0,0,0,0|3,0,0]=4 1935 B12R0.142 CCSCCC(=O)CCC(=O)NC 1458a_100011309844_100000757381 [0,1,0,0,0,0|2,0,0]=3 1936 B12R0.142 CCSCCC(=O)CCC(=O)OC 1458a_100000187943_100000757381 [0,1,0,0,0,0|2,0,0]=3 1937 B12R0.142 CCSCCC(=O)CCS(=O)CC 1458a_100011387550_100000757381 [0,1,0,0,0,0|3,0,0]=4 1938 B12R0.142 CCSCCC(=O)CNC(=O)CC 1458a_100000194589_100000757381 [0,1,0,0,0,0|3,0,0]=4 1939 B12R0.142 CCSCCC(=O)CNC(=O)OC 1458a_100000215747_100000757381 [0,1,0,0,0,0|3,0,0]=4 1940 B12R0.142 CCSCCC(=O)NCC(=O)NC 11a_100000693194_100000230768 [0,1,0,0,0,0|3,0,0]=4 1941 B12R0.142 CCSCCC(=O)NCC(=O)NC 240690a_100000693194_100000230768 [0,1,0,0,0,0|3,0,0]=4 1942 B12R0.142 CCSCCC(=O)NCC(=O)NC 527a_100000693194_100000230768 [0,1,0,0,0,0|3,0,0]=4 1943 B12R0.142 CCSCCC(=O)NCC(=O)OC 188690a_100000185156_100000230768 [0,1,0,0,0,0|3,0,0]=4 1944 B12R0.142 CNC(=O)CCC(=O)CCCC#N 1458a_100011309844_100000211468 [0,1,0,0,0,0|2,0,1]=4 1945 B12R0.142 CNC(=O)CCC(=O)CCCCF 1458a_100011309844_100000729493 [0,1,0,0,0,0|2,0,0]=3 1946 B12R0.142 CNC(=O)CCC(=O)CCCCO 1458a_100011309844_100000210776 [0,1,0,0,0,0|2,0,0]=3 1947 B12R0.142 CNC(=O)CCC(=O)CCCOC 1458a_100011309844_100000740836 [0,1,0,0,0,0|2,0,0]=3 1948 B12R0.142 CNC(=O)CCC(=O)NCCC#N 11a_100000720768_100011309844 [0,1,0,0,0,0|2,0,1]=4 1949 B12R0.142 CNC(=O)CCC(=O)NCCC#N 1626a_100000720768_100011309844 [0,1,0,0,0,0|2,0,1]=4 1950 B12R0.142 CNC(=O)CCC(=O)NCCC#N 240690a_100000720768_100011309844 [0,1,0,0,0,0|2,0,1]=4 1951 B12R0.142 CNC(=O)CCC(=O)NCCC#N 527a_100000720768_100011309844 [0,1,0,0,0,0|2,0,1]=4 1952 B12R0.142 CNC(=O)CCC(=O)NCCCF 11a_100015189416_100011309844 [0,1,0,0,0,0|2,0,0]=3 1953 B12R0.142 CNC(=O)CCC(=O)NCCCF 1626a_100015189416_100011309844 [0,1,0,0,0,0|2,0,0]=3 1954 B12R0.142 CNC(=O)CCC(=O)NCCCF 240690a_100015189416_100011309844 [0,1,0,0,0,0|2,0,0]=3 1955 B12R0.142 CNC(=O)CCC(=O)NCCCF 527a_100015189416_100011309844 [0,1,0,0,0,0|2,0,0]=3 1956 B12R0.142 CNC(=O)CCC(=O)NCCCO 240690a_100000182051_100011309844 [0,1,0,0,0,0|2,0,0]=3 1957 B12R0.142 CNC(=O)CCC(=O)NCCCO 527a_100000182051_100011309844 [0,1,0,0,0,0|2,0,0]=3 1958 B12R0.142 CNC(=O)CCC(=O)NCCOC 1626a_100000209980_100011309844 [0,1,0,0,0,0|2,0,0]=3 1959 B12R0.142 CNC(=O)CCC(=O)NCCOC 240690a_100000209980_100011309844 [0,1,0,0,0,0|2,0,0]=3 1960 B12R0.142 CNC(=O)CCC(=O)NCCOC 527a_100000209980_100011309844 [0,1,0,0,0,0|2,0,0]=3 1961 B12R0.142 CNC(=O)CCC(=O)NCCSC 11a_100020590264_100011309844 [0,1,0,0,0,0|2,0,0]=3 1962 B12R0.142 CNC(=O)CCC(=O)NCCSC 1626a_100020590264_100011309844 [0,1,0,0,0,0|2,0,0]=3 1963 B12R0.142 CNC(=O)CCC(=O)NCCSC 240690a_100020590264_100011309844 [0,1,0,0,0,0|2,0,0]=3 1964 B12R0.142 CNC(=O)CCC(=O)NCCSC 527a_100020590264_100011309844 [0,1,0,0,0,0|2,0,0]=3 1965 B12R0.142 CNC(=O)CCC(=O)NNCCO 22a_100000210001_100011309844 [0,1,0,0,0,0|3,0,0]=4 1966 B12R0.142 CNC(=O)CCC(=O)OCCC#N 1626a_100102657272_200009922858 [0,1,0,0,0,0|1,0,1]=3 1967 B12R0.142 CNC(=O)CCC(=O)OCCC#N 240690a_100102657272_200009922858 [0,1,0,0,0,0|1,0,1]=3 1968 B12R0.142 CNC(=O)CNC(=O)CCCOC 11a_100000693194_100000741012 [0,1,0,0,0,0|3,0,0]=4 1969 B12R0.142 CNC(=O)CNC(=O)CCCOC 240690a_100000693194_100000741012 [0,1,0,0,0,0|3,0,0]=4 1970 B12R0.142 CNC(=O)CNC(=O)CCCOC 527a_100000693194_100000741012 [0,1,0,0,0,0|3,0,0]=4 1971 B12R0.142 CNC(=O)CNC(=O)CCCSC 11a_100000693194_100000173376 [0,1,0,0,0,0|3,0,0]=4 1972 B12R0.142 CNC(=O)CNC(=O)CCCSC 240690a_100000693194_100000173376 [0,1,0,0,0,0|3,0,0]=4 1973 B12R0.142 CNC(=O)CNC(=O)CCCSC 527a_100000693194_100000173376 [0,1,0,0,0,0|3,0,0]=4 1974 B12R0.142 CNC(=O)CNC(=O)NCCCF 2708a_100015189416_100000693194 [0,1,0,0,0,0|3,0,0]=4 1975 B12R0.142 CNC(=O)CNC(=O)NCCCF 273464a_100000693194_100015189416 [0,1,0,0,0,0|3,0,0]=4 1976 B12R0.142 CNC(=O)CNC(=O)NCCCF 273464a_100015189416_100000693194 [0,1,0,0,0,0|3,0,0]=4 1977 B12R0.142 CNC(=O)CNC(=O)NCCCF 512a_100015189416_100000693194 [0,1,0,0,0,0|3,0,0]=4 1978 B12R0.142 CNC(=O)CNC(=O)NCCCO 273464a_100000182051_100000693194 [0,1,0,0,0,0|3,0,0]=4 1979 B12R0.142 CNC(=O)CNC(=O)NCCCO 273464a_100000693194_100000182051 [0,1,0,0,0,0|3,0,0]=4 1980 B12R0.142 CNC(=O)CNC(=O)NCCOC 273464a_100000209980_100000693194 [0,1,0,0,0,0|3,0,0]=4 1981 B12R0.142 CNC(=O)CNC(=O)NCCOC 273464a_100000693194_100000209980 [0,1,0,0,0,0|3,0,0]=4 1982 B12R0.142 CNC(=O)CNC(=O)NCCSC 2708a_100020590264_100000693194 [0,1,0,0,0,0|3,0,0]=4 1983 B12R0.142 CNC(=O)CNC(=O)NCCSC 273464a_100000693194_100020590264 [0,1,0,0,0,0|3,0,0]=4 1984 B12R0.142 CNC(=O)CNC(=O)NCCSC 273464a_100020590264_100000693194 [0,1,0,0,0,0|3,0,0]=4 1985 B12R0.142 CNC(=O)CNC(=O)NCCSC 512a_100020590264_100000693194 [0,1,0,0,0,0|3,0,0]=4 1986 B12R0.142 CNC(=O)NCC(=O)NCCOC 2708a_100102657272_100000754632 [0,1,0,0,0,0|3,0,0]=4 1987 B12R0.142 CNC(=O)NCC(=O)NCCOC 273464a_100000754632_100102657272 [0,1,0,0,0,0|3,0,0]=4 1988 B12R0.142 CNC(=O)NCC(=O)NCCOC 273464a_100102657272_100000754632 [0,1,0,0,0,0|3,0,0]=4 1989 B12R0.142 CNC(=O)NCC(=O)NCCOC 512a_106832991638_100000754632 [0,1,0,0,0,0|3,0,0]=4 1990 B12R0.142 COC(=O)CCC(=O)CCCC#N 1458a_100000187943_100000211468 [0,1,0,0,0,0|2,0,1]=4 1991 B12R0.142 COC(=O)CCC(=O)CCCCF 1458a_100000187943_100000729493 [0,1,0,0,0,0|2,0,0]=3 1992 B12R0.142 COC(=O)CCC(=O)CCCCO 1458a_100000187943_100000210776 [0,1,0,0,0,0|2,0,0]=3 1993 B12R0.142 COC(=O)CCC(=O)CNCCF 34a_100000724931_100000691467 [0,1,0,0,0,0|3,0,0]=4 1994 B12R0.142 COC(=O)CCC(=O)CNCCO 2230a_100016997473_100000691467 [0,1,0,0,0,0|3,0,0]=4 1995 B12R0.142 COC(=O)CCC(=O)CNCCO 34a_100016990907_100000691467 [0,1,0,0,0,0|3,0,0]=4 1996 B12R0.142 COC(=O)CCC(=O)COCCBr 34a_100000211926_100000691467 [0,1,0,0,0,0|3,0,0]=4 1997 B12R0.142 COC(=O)CCC(=O)COCCN 34a_100000210304_100000691467 [0,1,0,0,0,0|3,0,0]=4 1998 B12R0.142 COC(=O)CCC(=O)CSCCF 62a_100000691467_100011217306 [0,1,0,0,0,0|3,0,0]=4 1999 B12R0.142 COC(=O)CCC(=O)CSCCF 62a_100011217306_100000691467 [0,1,0,0,0,0|3,0,0]=4 2000 B12R0.142 COC(=O)CCC(=O)CSCCO 62a_100000211926_100000691467 [0,1,0,0,0,0|3,0,0]=4 2001 B12R0.142 COC(=O)CCC(=O)CSCCO 62a_100000691467_100000211926 [0,1,0,0,0,0|3,0,0]=4 2002 B12R0.142 COC(=O)CCC(=O)CSCSC 62a_100000691467_100011218213 [0,1,0,0,0,0|3,0,0]=4 2003 B12R0.142 COC(=O)CCC(=O)CSCSC 62a_100011218213_100000691467 [0,1,0,0,0,0|3,0,0]=4 2004 B12R0.142 COC(=O)CCC(=O)NCCC#N 11a_100000720768_100000187943 [0,1,0,0,0,0|2,0,1]=4 2005 B12R0.142 COC(=O)CCC(=O)NCCC#N 1626a_100000720768_100000187943 [0,1,0,0,0,0|2,0,1]=4 2006 B12R0.142 COC(=O)CCC(=O)NCCC#N 240690a_100000720768_100000187943 [0,1,0,0,0,0|2,0,1]=4 2007 B12R0.142 COC(=O)CCC(=O)NCCC#N 527a_100000720768_100000187943 [0,1,0,0,0,0|2,0,1]=4 2008 B12R0.142 COC(=O)CCC(=O)NCCCF 11a_100015189416_100000187943 [0,1,0,0,0,0|2,0,0]=3 2009 B12R0.142 COC(=O)CCC(=O)NCCCF 1626a_100015189416_100000187943 [0,1,0,0,0,0|2,0,0]=3 2010 B12R0.142 COC(=O)CCC(=O)NCCCF 240690a_100015189416_100000187943 [0,1,0,0,0,0|2,0,0]=3 2011 B12R0.142 COC(=O)CCC(=O)NCCCF 527a_100015189416_100000187943 [0,1,0,0,0,0|2,0,0]=3 2012 B12R0.142 COC(=O)CCC(=O)NCCCO 240690a_100000182051_100000187943 [0,1,0,0,0,0|2,0,0]=3 2013 B12R0.142 COC(=O)CCC(=O)NCCCO 527a_100000182051_100000187943 [0,1,0,0,0,0|2,0,0]=3 2014 B12R0.142 COC(=O)CCC(=O)NCCSC 11a_100020590264_100000187943 [0,1,0,0,0,0|2,0,0]=3 2015 B12R0.142 COC(=O)CCC(=O)NCCSC 1626a_100020590264_100000187943 [0,1,0,0,0,0|2,0,0]=3 2016 B12R0.142 COC(=O)CCC(=O)NCCSC 240690a_100020590264_100000187943 [0,1,0,0,0,0|2,0,0]=3 2017 B12R0.142 COC(=O)CCC(=O)NCCSC 527a_100020590264_100000187943 [0,1,0,0,0,0|2,0,0]=3 2018 B12R0.142 COC(=O)CNC(=O)CCCCO 188690a_100000185156_100000695505 [0,1,0,0,0,0|3,0,0]=4 2019 B12R0.142 COC(=O)CNC(=O)CCCSC 188690a_100000185156_100000173376 [0,1,0,0,0,0|3,0,0]=4 2020 B12R0.142 COC(=O)NCC(=O)CCCCF 1458a_100000215747_100000729493 [0,1,0,0,0,0|3,0,0]=4 2021 B12R0.142 COC(=O)NCC(=O)CCCCO 1458a_100000215747_100000210776 [0,1,0,0,0,0|3,0,0]=4 2022 B12R0.142 COC(=O)NCC(=O)NCCCF 11a_100015189416_100000215747 [0,1,0,0,0,0|3,0,0]=4 2023 B12R0.142 COC(=O)NCC(=O)NCCCF 1626a_100015189416_100000215747 [0,1,0,0,0,0|3,0,0]=4 2024 B12R0.142 COC(=O)NCC(=O)NCCCF 240690a_100015189416_100000215747 [0,1,0,0,0,0|3,0,0]=4 2025 B12R0.142 COC(=O)NCC(=O)NCCCF 527a_100015189416_100000215747 [0,1,0,0,0,0|3,0,0]=4 2026 B12R0.142 COC(=O)NCC(=O)NCCCO 240690a_100000182051_100000215747 [0,1,0,0,0,0|3,0,0]=4 2027 B12R0.142 COC(=O)NCC(=O)NCCCO 527a_100000182051_100000215747 [0,1,0,0,0,0|3,0,0]=4 2028 B12R0.142 COC(=O)NCC(=O)NCCSC 11a_100020590264_100000215747 [0,1,0,0,0,0|3,0,0]=4 2029 B12R0.142 COC(=O)NCC(=O)NCCSC 1626a_100020590264_100000215747 [0,1,0,0,0,0|3,0,0]=4 2030 B12R0.142 COC(=O)NCC(=O)NCCSC 240690a_100020590264_100000215747 [0,1,0,0,0,0|3,0,0]=4 2031 B12R0.142 COC(=O)NCC(=O)NCCSC 527a_100020590264_100000215747 [0,1,0,0,0,0|3,0,0]=4 2032 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [0,1,0,0,0,0|2,0,0]=3 2033 B12R0.142 COCCCC(=O)CNC(=O)OC 1458a_100000215747_100000740836 [0,1,0,0,0,0|3,0,0]=4 2034 B12R0.142 COCCCC(=O)NCC(=O)OC 188690a_100000185156_100000741012 [0,1,0,0,0,0|3,0,0]=4 2035 B12R0.142 COCCNC(=O)CCC(=O)OC 1626a_100000209980_100000187943 [0,1,0,0,0,0|2,0,0]=3 2036 B12R0.142 COCCNC(=O)CCC(=O)OC 240690a_100000209980_100000187943 [0,1,0,0,0,0|2,0,0]=3 2037 B12R0.142 COCCNC(=O)CCC(=O)OC 527a_100000209980_100000187943 [0,1,0,0,0,0|2,0,0]=3 2038 B12R0.142 COCCNC(=O)CNC(=O)CO 240690a_100000754632_100000210174 [0,1,0,0,0,0|3,0,0]=4 2039 B12R0.142 COCCNC(=O)CNC(=O)CO 527a_100000754632_100000210174 [0,1,0,0,0,0|3,0,0]=4 2040 B12R0.142 COCCNC(=O)CNC(=O)OC 1626a_100000209980_100000215747 [0,1,0,0,0,0|3,0,0]=4 2041 B12R0.142 COCCNC(=O)CNC(=O)OC 240690a_100000209980_100000215747 [0,1,0,0,0,0|3,0,0]=4 2042 B12R0.142 COCCNC(=O)CNC(=O)OC 527a_100000209980_100000215747 [0,1,0,0,0,0|3,0,0]=4 2043 B12R0.142 COCSCC(=O)CCC(=O)OC 62a_100000691467_100000766300 [0,1,0,0,0,0|3,0,0]=4 2044 B12R0.142 COCSCC(=O)CCC(=O)OC 62a_100000766300_100000691467 [0,1,0,0,0,0|3,0,0]=4 2045 B12R0.142 N#CCCOC(=O)CCC(=O)CF 1458a_200009922858_100015361967 [0,1,0,0,0,0|1,0,1]=3 2046 B12R0.189 C=C(C)CCC(=O)CCC(C)CC 1458a_100000701222_100000730704 [0,1,0,0,0,0|2,0,0]=3 2047 B12R0.189 C=C(C)CCC(=O)CCN(C)CC 1458a_100000755305_100000730704 [0,1,0,0,0,0|3,0,0]=4 2048 B12R0.189 C=C(C)CCC(=O)CCS(=O)CC 1458a_100011387550_100000730704 [0,1,0,0,0,0|3,0,0]=4 2049 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 11a_100020588543_200000688413 [0,1,0,0,0,0|2,0,0]=3 2050 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 1626a_100020588543_200000688413 [0,1,0,0,0,0|2,0,0]=3 2051 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 240690a_100020588543_200000688413 [0,1,0,0,0,0|2,0,0]=3 2052 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 527a_100020588543_200000688413 [0,1,0,0,0,0|2,0,0]=3 2053 B12R0.189 C=C(C)CCC(=O)NCC(C)CO 240690a_100000744482_200000688413 [0,1,0,0,0,0|3,0,0]=4 2054 B12R0.189 C=C(C)CCC(=O)NCC(C)CO 527a_100000744482_200000688413 [0,1,0,0,0,0|3,0,0]=4 2055 B12R0.189 C=C(C)CCC(=O)NCC(O)CC 11a_100011218483_200000688413 [0,1,0,0,0,0|2,0,0]=3 2056 B12R0.189 C=C(C)CCC(=O)NCC(O)CC 240690a_100011218483_200000688413 [0,1,0,0,0,0|2,0,0]=3 2057 B12R0.189 C=C(C)CCC(=O)NCC(O)CC 527a_100011218483_200000688413 [0,1,0,0,0,0|2,0,0]=3 2058 B12R0.189 C=C(C)CCC(=O)NC[C@@H](C)OC 11a_100020591295_200000688413 [0,1,0,0,0,0|3,0,0]=4 2059 B12R0.189 C=C(C)CCC(=O)NC[C@@H](C)OC 1626a_100020591295_200000688413 [0,1,0,0,0,0|3,0,0]=4 2060 B12R0.189 C=C(C)CCC(=O)NC[C@@H](C)OC 240690a_100020591295_200000688413 [0,1,0,0,0,0|3,0,0]=4 2061 B12R0.189 C=C(C)CCC(=O)NC[C@@H](C)OC 527a_100020591295_200000688413 [0,1,0,0,0,0|3,0,0]=4 2062 B12R0.189 C=C(C)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_200000688413 [0,1,0,0,0,0|3,0,0]=4 2063 B12R0.189 C=C(C)CCC(=O)NC[C@@H](F)CO 527a_100015665980_200000688413 [0,1,0,0,0,0|3,0,0]=4 2064 B12R0.189 C=C(C)CCC(=O)NC[C@H](O)CO 240690a_100020644852_200000688413 [0,1,0,0,0,0|3,0,0]=4 2065 B12R0.189 C=C(C)CCC(=O)NC[C@H](O)CO 527a_100020644852_200000688413 [0,1,0,0,0,0|3,0,0]=4 2066 B12R0.189 C=C(C)CCC(=O)NNC(C)CC 22a_100000718999_200000688413 [0,1,0,0,0,0|3,0,0]=4 2067 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 11a_100000765925_100000701222 [0,1,0,0,0,0|3,0,0]=4 2068 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 1626a_100000765925_100000701222 [0,1,0,0,0,0|3,0,0]=4 2069 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 240690a_100000765925_100000701222 [0,1,0,0,0,0|3,0,0]=4 2070 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 527a_100000765925_100000701222 [0,1,0,0,0,0|3,0,0]=4 2071 B12R0.189 C=C(C)CNC(=O)CCC(O)CC 1626a_100000765925_203496584001 [0,1,0,0,0,0|3,0,0]=4 2072 B12R0.189 C=C(C)CNC(=O)CCC(O)CC 240690a_100000765925_203496584001 [0,1,0,0,0,0|3,0,0]=4 2073 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 2708a_100000765925_100020588543 [0,1,0,0,0,0|3,0,0]=4 2074 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 2708a_100020588543_100000765925 [0,1,0,0,0,0|3,0,0]=4 2075 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 273464a_100000765925_100020588543 [0,1,0,0,0,0|3,0,0]=4 2076 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 273464a_100020588543_100000765925 [0,1,0,0,0,0|3,0,0]=4 2077 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 512a_100000765925_100020588543 [0,1,0,0,0,0|3,0,0]=4 2078 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 512a_100020588543_100000765925 [0,1,0,0,0,0|3,0,0]=4 2079 B12R0.189 C=C(C)CNC(=O)NCC(O)CC 2708a_100000765925_100011218483 [0,1,0,0,0,0|3,0,0]=4 2080 B12R0.189 C=C(C)CNC(=O)NCC(O)CC 273464a_100000765925_100011218483 [0,1,0,0,0,0|3,0,0]=4 2081 B12R0.189 C=C(C)CNC(=O)NCC(O)CC 273464a_100011218483_100000765925 [0,1,0,0,0,0|3,0,0]=4 2082 B12R0.189 C=C(C)CNC(=O)NCC(O)CC 512a_100011218483_100000765925 [0,1,0,0,0,0|3,0,0]=4 2083 B12R0.189 CC(=O)NCC(=O)NCC(C)CO 240690a_100000744482_100000194580 [0,1,0,0,0,0|3,0,0]=4 2084 B12R0.189 CC(=O)NCC(=O)NCC(C)CO 527a_100000744482_100000194580 [0,1,0,0,0,0|3,0,0]=4 2085 B12R0.189 CC(=O)NCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000194580 [0,1,0,0,0,0|3,0,0]=4 2086 B12R0.189 CC(=O)NCC(=O)NC[C@@H](F)CO 527a_100015665980_100000194580 [0,1,0,0,0,0|3,0,0]=4 2087 B12R0.189 CC(=O)NCC(=O)NC[C@H](O)CO 240690a_100020644852_100000194580 [0,1,0,0,0,0|3,0,0]=4 2088 B12R0.189 CC(=O)NCC(=O)NC[C@H](O)CO 527a_100020644852_100000194580 [0,1,0,0,0,0|3,0,0]=4 2089 B12R0.189 CC(=O)OCC(=O)NCC(C)CO 240690a_100000744482_100000183556 [0,1,0,0,0,0|3,0,0]=4 2090 B12R0.189 CC(=O)OCC(=O)NCC(C)CO 527a_100000744482_100000183556 [0,1,0,0,0,0|3,0,0]=4 2091 B12R0.189 CC(=O)OCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000183556 [0,1,0,0,0,0|3,0,0]=4 2092 B12R0.189 CC(=O)OCC(=O)NC[C@@H](F)CO 527a_100015665980_100000183556 [0,1,0,0,0,0|3,0,0]=4 2093 B12R0.189 CC(=O)OCC(=O)NC[C@H](O)CO 240690a_100020644852_100000183556 [0,1,0,0,0,0|3,0,0]=4 2094 B12R0.189 CC(=O)OCC(=O)NC[C@H](O)CO 527a_100020644852_100000183556 [0,1,0,0,0,0|3,0,0]=4 2095 B12R0.189 CC(=O)SCC(=O)NCC(C)CO 240690a_100000744482_100000049016 [0,1,0,0,0,0|3,0,0]=4 2096 B12R0.189 CC(=O)SCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000049016 [0,1,0,0,0,0|3,0,0]=4 2097 B12R0.189 CC(=O)SCC(=O)NC[C@H](O)CO 240690a_100020644852_100000049016 [0,1,0,0,0,0|3,0,0]=4 2098 B12R0.189 CC(CO)CNC(=O)CCC(=O)N 240690a_100000744482_100011215257 [0,1,0,0,0,0|3,0,0]=4 2099 B12R0.189 CC(CO)CNC(=O)CCC(=O)N 527a_100000744482_100011215257 [0,1,0,0,0,0|3,0,0]=4 2100 B12R0.189 CCC(=O)CNC(=O)CNC(=O)C 1458a_100000195220_100000210202 [0,1,0,0,0,0|2,0,1]=4 2101 B12R0.189 CCC(C)CCC(=O)CC=C(C)C 1458a_100000701222_100000761012 [0,1,0,0,0,0|2,0,1]=4 2102 B12R0.189 CCC(C)CCC(=O)CCC(C)C 1458a_100000701222_100000210312 [0,1,0,0,0,0|2,0,1]=4 2103 B12R0.189 CCC(C)CCC(=O)CCC(C)O 1458a_100000701222_100012276601 [0,1,0,0,0,0|1,0,2]=4 2104 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000701222 [0,1,0,0,0,0|3,0,0]=4 2105 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000701222 [0,1,0,0,0,0|3,0,0]=4 2106 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000701222 [0,1,0,0,0,0|3,0,0]=4 2107 B12R0.189 CCC(C)CCC(=O)NNC(=O)C 22a_100000189765_100000701222 [0,1,0,0,0,0|3,0,0]=4 2108 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 11a_100020588543_100011220947 [0,1,0,0,0,0|2,0,1]=4 2109 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 1626a_100020588543_100011220947 [0,1,0,0,0,0|2,0,1]=4 2110 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 240690a_100020588543_100011220947 [0,1,0,0,0,0|2,0,1]=4 2111 B12R0.189 CCC(C)CNC(=O)CC=C(C)C 527a_100020588543_100011220947 [0,1,0,0,0,0|2,0,1]=4 2112 B12R0.189 CCC(C)CNC(=O)CCC(=O)N 240690a_100020588543_100011215257 [0,1,0,0,0,0|2,0,0]=3 2113 B12R0.189 CCC(C)CNC(=O)CCC(=O)N 527a_100020588543_100011215257 [0,1,0,0,0,0|2,0,0]=3 2114 B12R0.189 CCC(C)CNC(=O)CCC(C)C 11a_100020588543_100000181311 [0,1,0,0,0,0|2,0,1]=4 2115 B12R0.189 CCC(C)CNC(=O)CCC(C)C 1626a_100020588543_100000181311 [0,1,0,0,0,0|2,0,1]=4 2116 B12R0.189 CCC(C)CNC(=O)CCC(C)C 240690a_100020588543_100000181311 [0,1,0,0,0,0|2,0,1]=4 2117 B12R0.189 CCC(C)CNC(=O)CCC(C)C 527a_100020588543_100000181311 [0,1,0,0,0,0|2,0,1]=4 2118 B12R0.189 CCC(C)CNC(=O)CCC(C)O 1626a_100020588543_100000718519 [0,1,0,0,0,0|1,0,2]=4 2119 B12R0.189 CCC(C)CNC(=O)CCN(C)C 11a_100020588543_100000689311 [0,1,0,0,0,0|3,0,0]=4 2120 B12R0.189 CCC(C)CNC(=O)CCN(C)C 240690a_100020588543_100000689311 [0,1,0,0,0,0|3,0,0]=4 2121 B12R0.189 CCC(C)CNC(=O)CCN(C)C 527a_100020588543_100000689311 [0,1,0,0,0,0|3,0,0]=4 2122 B12R0.189 CCC(C)CNC(=O)CC[N+](=O)[O-] 11a_100020588543_200000064761 [0,1,0,0,0,0|3,0,0]=4 2123 B12R0.189 CCC(C)CNC(=O)CC[N+](=O)[O-] 1626a_100020588543_200000064761 [0,1,0,0,0,0|3,0,0]=4 2124 B12R0.189 CCC(C)CNC(=O)CC[N+](=O)[O-] 240690a_100020588543_200000064761 [0,1,0,0,0,0|3,0,0]=4 2125 B12R0.189 CCC(C)CNC(=O)CC[S+](C)C 11a_100020588543_100009452791 [0,1,0,0,0,0|3,0,0]=4 2126 B12R0.189 CCC(C)CNC(=O)CC[S+](C)C 1626a_100020588543_100009452791 [0,1,0,0,0,0|3,0,0]=4 2127 B12R0.189 CCC(C)CNC(=O)CC[S+](C)C 240690a_100020588543_100009452791 [0,1,0,0,0,0|3,0,0]=4 2128 B12R0.189 CCC(C)CNC(=O)CNC(=O)C 11a_100020588543_100000194580 [0,1,0,0,0,0|2,0,0]=3 2129 B12R0.189 CCC(C)CNC(=O)CNC(=O)C 1626a_100020588543_100000194580 [0,1,0,0,0,0|2,0,0]=3 2130 B12R0.189 CCC(C)CNC(=O)CNC(=O)C 240690a_100020588543_100000194580 [0,1,0,0,0,0|2,0,0]=3 2131 B12R0.189 CCC(C)CNC(=O)CNC(=O)C 527a_100020588543_100000194580 [0,1,0,0,0,0|2,0,0]=3 2132 B12R0.189 CCC(C)CNC(=O)CNC(=O)N 240690a_100020588543_100000184981 [0,1,0,0,0,0|3,0,0]=4 2133 B12R0.189 CCC(C)CNC(=O)CNC(=O)N 527a_100020588543_100000184981 [0,1,0,0,0,0|3,0,0]=4 2134 B12R0.189 CCC(C)CNC(=O)COC(=O)C 1626a_100020588543_100000183556 [0,1,0,0,0,0|2,0,0]=3 2135 B12R0.189 CCC(C)CNC(=O)COC(=O)C 240690a_100020588543_100000183556 [0,1,0,0,0,0|2,0,0]=3 2136 B12R0.189 CCC(C)CNC(=O)COC(=O)C 527a_100020588543_100000183556 [0,1,0,0,0,0|2,0,0]=3 2137 B12R0.189 CCC(C)CNC(=O)CSC(=O)C 11a_100020588543_100000049016 [0,1,0,0,0,0|2,0,0]=3 2138 B12R0.189 CCC(C)CNC(=O)CSC(=O)C 1626a_100020588543_100000049016 [0,1,0,0,0,0|2,0,0]=3 2139 B12R0.189 CCC(C)CNC(=O)CSC(=O)C 240690a_100020588543_100000049016 [0,1,0,0,0,0|2,0,0]=3 2140 B12R0.189 CCC(C)CNC(=O)CSC(=O)N 240690a_100020588543_200015941356 [0,1,0,0,0,0|3,0,0]=4 2141 B12R0.189 CCC(C)CNC(=O)NCC(=O)N 2708a_100020588543_100000711301 [0,1,0,0,0,0|3,0,0]=4 2142 B12R0.189 CCC(C)CNC(=O)NCC(=O)N 273464a_100000711301_100020588543 [0,1,0,0,0,0|3,0,0]=4 2143 B12R0.189 CCC(C)CNC(=O)NCC(=O)N 273464a_100020588543_100000711301 [0,1,0,0,0,0|3,0,0]=4 2144 B12R0.189 CCC(C)CNC(=O)NCC(=O)N 512a_100020588543_100000711301 [0,1,0,0,0,0|3,0,0]=4 2145 B12R0.189 CCC(C)CNC(=O)NNC(=O)C 273464a_100020588543_100000189765 [0,1,0,0,0,0|3,0,0]=4 2146 B12R0.189 CCC(C)CNC(=O)NNC(=O)C 512a_100000189765_100020588543 [0,1,0,0,0,0|3,0,0]=4 2147 B12R0.189 CCC(C)NNC(=O)CCC(=O)N 22a_100000718999_100011215257 [0,1,0,0,0,0|3,0,0]=4 2148 B12R0.189 CCC(C)NNC(=O)CNC(=O)C 22a_100000718999_100000194580 [0,1,0,0,0,0|3,0,0]=4 2149 B12R0.189 CCC(C)NNC(=O)COC(=O)C 22a_100000718999_100000183556 [0,1,0,0,0,0|3,0,0]=4 2150 B12R0.189 CCC(C)SCC(=O)COC(=O)C 62a_100000036994_100000758301 [0,1,0,0,0,0|3,0,0]=4 2151 B12R0.189 CCC(C)SCC(=O)COC(=O)C 62a_100000758301_100000036994 [0,1,0,0,0,0|3,0,0]=4 2152 B12R0.189 CCC(O)CCC(=O)NCC(=O)N 240690a_100000711301_203496584001 [0,1,0,0,0,0|3,0,0]=4 2153 B12R0.189 CCC(O)CCC(=O)NNC(=O)C 22a_100000189765_203496584001 [0,1,0,0,0,0|3,0,0]=4 2154 B12R0.189 CCC(O)CNC(=O)CC=C(C)C 11a_100011218483_100011220947 [0,1,0,0,0,0|2,0,1]=4 2155 B12R0.189 CCC(O)CNC(=O)CC=C(C)C 240690a_100011218483_100011220947 [0,1,0,0,0,0|2,0,1]=4 2156 B12R0.189 CCC(O)CNC(=O)CC=C(C)C 527a_100011218483_100011220947 [0,1,0,0,0,0|2,0,1]=4 2157 B12R0.189 CCC(O)CNC(=O)CCC(=O)N 240690a_100011218483_100011215257 [0,1,0,0,0,0|2,0,0]=3 2158 B12R0.189 CCC(O)CNC(=O)CCC(=O)N 527a_100011218483_100011215257 [0,1,0,0,0,0|2,0,0]=3 2159 B12R0.189 CCC(O)CNC(=O)CCC(C)C 11a_100011218483_100000181311 [0,1,0,0,0,0|2,0,1]=4 2160 B12R0.189 CCC(O)CNC(=O)CCC(C)C 240690a_100011218483_100000181311 [0,1,0,0,0,0|2,0,1]=4 2161 B12R0.189 CCC(O)CNC(=O)CCC(C)C 527a_100011218483_100000181311 [0,1,0,0,0,0|2,0,1]=4 2162 B12R0.189 CCC(O)CNC(=O)CCN(C)C 11a_100011218483_100000689311 [0,1,0,0,0,0|3,0,0]=4 2163 B12R0.189 CCC(O)CNC(=O)CCN(C)C 240690a_100011218483_100000689311 [0,1,0,0,0,0|3,0,0]=4 2164 B12R0.189 CCC(O)CNC(=O)CCN(C)C 527a_100011218483_100000689311 [0,1,0,0,0,0|3,0,0]=4 2165 B12R0.189 CCC(O)CNC(=O)CC[N+](=O)[O-] 11a_100011218483_200000064761 [0,1,0,0,0,0|3,0,0]=4 2166 B12R0.189 CCC(O)CNC(=O)CC[N+](=O)[O-] 240690a_100011218483_200000064761 [0,1,0,0,0,0|3,0,0]=4 2167 B12R0.189 CCC(O)CNC(=O)CC[S+](C)C 11a_100011218483_100009452791 [0,1,0,0,0,0|3,0,0]=4 2168 B12R0.189 CCC(O)CNC(=O)CC[S+](C)C 240690a_100011218483_100009452791 [0,1,0,0,0,0|3,0,0]=4 2169 B12R0.189 CCC(O)CNC(=O)CNC(=O)C 11a_100011218483_100000194580 [0,1,0,0,0,0|2,0,0]=3 2170 B12R0.189 CCC(O)CNC(=O)CNC(=O)C 240690a_100011218483_100000194580 [0,1,0,0,0,0|2,0,0]=3 2171 B12R0.189 CCC(O)CNC(=O)CNC(=O)C 527a_100011218483_100000194580 [0,1,0,0,0,0|2,0,0]=3 2172 B12R0.189 CCC(O)CNC(=O)CNC(=O)N 240690a_100011218483_100000184981 [0,1,0,0,0,0|3,0,0]=4 2173 B12R0.189 CCC(O)CNC(=O)CNC(=O)N 527a_100011218483_100000184981 [0,1,0,0,0,0|3,0,0]=4 2174 B12R0.189 CCC(O)CNC(=O)COC(=O)C 240690a_100011218483_100000183556 [0,1,0,0,0,0|2,0,0]=3 2175 B12R0.189 CCC(O)CNC(=O)COC(=O)C 527a_100011218483_100000183556 [0,1,0,0,0,0|2,0,0]=3 2176 B12R0.189 CCC(O)CNC(=O)CSC(=O)C 11a_100011218483_100000049016 [0,1,0,0,0,0|2,0,0]=3 2177 B12R0.189 CCC(O)CNC(=O)CSC(=O)C 240690a_100011218483_100000049016 [0,1,0,0,0,0|2,0,0]=3 2178 B12R0.189 CCC(O)CNC(=O)CSC(=O)N 240690a_100011218483_200015941356 [0,1,0,0,0,0|3,0,0]=4 2179 B12R0.189 CCC(O)CNC(=O)NCC(=O)N 273464a_100000711301_100011218483 [0,1,0,0,0,0|3,0,0]=4 2180 B12R0.189 CCC(O)CNC(=O)NCC(=O)N 273464a_100011218483_100000711301 [0,1,0,0,0,0|3,0,0]=4 2181 B12R0.189 CCC(O)CNC(=O)NCC(=O)N 512a_100011218483_100000711301 [0,1,0,0,0,0|3,0,0]=4 2182 B12R0.189 CCC(O)CNC(=O)NNC(=O)C 273464a_100011218483_100000189765 [0,1,0,0,0,0|3,0,0]=4 2183 B12R0.189 CO[C@H](C)CNC(=O)CCC(=O)N 240690a_100020591295_100011215257 [0,1,0,0,0,0|3,0,0]=4 2184 B12R0.189 CO[C@H](C)CNC(=O)CCC(=O)N 527a_100020591295_100011215257 [0,1,0,0,0,0|3,0,0]=4 2185 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)C 11a_100020591295_100000194580 [0,1,0,0,0,0|3,0,0]=4 2186 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)C 1626a_100020591295_100000194580 [0,1,0,0,0,0|3,0,0]=4 2187 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)C 240690a_100020591295_100000194580 [0,1,0,0,0,0|3,0,0]=4 2188 B12R0.189 CO[C@H](C)CNC(=O)CNC(=O)C 527a_100020591295_100000194580 [0,1,0,0,0,0|3,0,0]=4 2189 B12R0.189 CO[C@H](C)CNC(=O)COC(=O)C 1626a_100020591295_100000183556 [0,1,0,0,0,0|3,0,0]=4 2190 B12R0.189 CO[C@H](C)CNC(=O)COC(=O)C 240690a_100020591295_100000183556 [0,1,0,0,0,0|3,0,0]=4 2191 B12R0.189 CO[C@H](C)CNC(=O)COC(=O)C 527a_100020591295_100000183556 [0,1,0,0,0,0|3,0,0]=4 2192 B12R0.189 CO[C@H](C)CNC(=O)CSC(=O)C 11a_100020591295_100000049016 [0,1,0,0,0,0|3,0,0]=4 2193 B12R0.189 CO[C@H](C)CNC(=O)CSC(=O)C 1626a_100020591295_100000049016 [0,1,0,0,0,0|3,0,0]=4 2194 B12R0.189 CO[C@H](C)CNC(=O)CSC(=O)C 240690a_100020591295_100000049016 [0,1,0,0,0,0|3,0,0]=4 2195 B12R0.189 NC(=O)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100011215257 [0,1,0,0,0,0|3,0,0]=4 2196 B12R0.189 NC(=O)CCC(=O)NC[C@@H](F)CO 527a_100015665980_100011215257 [0,1,0,0,0,0|3,0,0]=4 2197 B12R0.189 NC(=O)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100011215257 [0,1,0,0,0,0|3,0,0]=4 2198 B12R0.189 NC(=O)CCC(=O)NC[C@H](O)CO 527a_100020644852_100011215257 [0,1,0,0,0,0|3,0,0]=4 2199 B12R0.255 C#CCCCCC(=O)CCC(=C)C 1458a_100000696528_100000730704 [0,1,0,0,0,0|2,0,1]=4 2200 B12R0.255 C#CCCCCC(=O)CCC(=C)C 1458a_200000688413_100010269958 [0,1,0,0,0,0|2,0,1]=4 2201 B12R0.255 C#CCCCCC(=O)CCC(=O)N 1458a_100011215257_100010269958 [0,1,0,0,0,0|2,0,1]=4 2202 B12R0.255 C#CCCCCC(=O)CNC(=O)C 1458a_100000194580_100010269958 [0,1,0,0,0,0|2,0,1]=4 2203 B12R0.255 C#CCCCCC(=O)COC(=O)C 1458a_100000183556_100010269958 [0,1,0,0,0,0|2,0,1]=4 2204 B12R0.255 C#CCCCCC(=O)CSC(=O)C 1458a_100000049016_100010269958 [0,1,0,0,0,0|2,0,1]=4 2205 B12R0.255 C#CCCCNC(=O)CCC(=C)C 11a_100000718082_200000688413 [0,1,0,0,0,0|2,0,1]=4 2206 B12R0.255 C#CCCCNC(=O)CCC(=C)C 1626a_100000718082_200000688413 [0,1,0,0,0,0|2,0,1]=4 2207 B12R0.255 C#CCCCNC(=O)CCC(=C)C 240690a_100000718082_200000688413 [0,1,0,0,0,0|2,0,1]=4 2208 B12R0.255 C#CCCCNC(=O)CCC(=C)C 527a_100000718082_200000688413 [0,1,0,0,0,0|2,0,1]=4 2209 B12R0.255 C#CCCCNC(=O)CCC(=O)N 240690a_100000718082_100011215257 [0,1,0,0,0,0|2,0,1]=4 2210 B12R0.255 C#CCCCNC(=O)CCC(=O)N 527a_100000718082_100011215257 [0,1,0,0,0,0|2,0,1]=4 2211 B12R0.255 C#CCCCNC(=O)CNC(=O)C 11a_100000718082_100000194580 [0,1,0,0,0,0|2,0,1]=4 2212 B12R0.255 C#CCCCNC(=O)CNC(=O)C 1626a_100000718082_100000194580 [0,1,0,0,0,0|2,0,1]=4 2213 B12R0.255 C#CCCCNC(=O)CNC(=O)C 240690a_100000718082_100000194580 [0,1,0,0,0,0|2,0,1]=4 2214 B12R0.255 C#CCCCNC(=O)CNC(=O)C 527a_100000718082_100000194580 [0,1,0,0,0,0|2,0,1]=4 2215 B12R0.255 C#CCCCNC(=O)COC(=O)C 1626a_100000718082_100000183556 [0,1,0,0,0,0|2,0,1]=4 2216 B12R0.255 C#CCCCNC(=O)COC(=O)C 240690a_100000718082_100000183556 [0,1,0,0,0,0|2,0,1]=4 2217 B12R0.255 C#CCCCNC(=O)COC(=O)C 527a_100000718082_100000183556 [0,1,0,0,0,0|2,0,1]=4 2218 B12R0.255 C#CCCCNC(=O)CSC(=O)C 11a_100000718082_100000049016 [0,1,0,0,0,0|2,0,1]=4 2219 B12R0.255 C#CCCCNC(=O)CSC(=O)C 1626a_100000718082_100000049016 [0,1,0,0,0,0|2,0,1]=4 2220 B12R0.255 C#CCCCNC(=O)CSC(=O)C 240690a_100000718082_100000049016 [0,1,0,0,0,0|2,0,1]=4 2221 B12R0.255 C#CCCOCC(=O)COC(=O)C 34a_100011215631_100000036994 [0,1,0,0,0,0|1,0,2]=4 2222 B12R0.255 C/C=C/COCC(=O)COC(=O)C 34a_100016270725_100000036994 [0,1,0,0,0,0|1,0,2]=4 2223 B12R0.255 C=C(C)CCC(=O)C/C=C/CCC 1458a_200016266809_100000730704 [0,1,0,0,0,0|2,0,1]=4 2224 B12R0.255 C=C(C)CCC(=O)C=CCCCC 1458a_100016266645_100000730704 [0,1,0,0,0,0|2,0,0]=3 2225 B12R0.255 C=C(C)CCC(=O)CC/C=C\CC 1458a_200000688413_100015370543 [0,1,0,0,0,0|2,0,1]=4 2226 B12R0.255 C=C(C)CCC(=O)CCCCC#N 1458a_200000688413_100000211819 [0,1,0,0,0,0|2,0,1]=4 2227 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,1,0,0,0,0|2,0,0]=3 2228 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,1,0,0,0,0|2,0,0]=3 2229 B12R0.255 C=C(C)CCC(=O)CCCCCF 1458a_200000688413_100000729378 [0,1,0,0,0,0|2,0,0]=3 2230 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,1,0,0,0,0|2,0,0]=3 2231 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,1,0,0,0,0|2,0,0]=3 2232 B12R0.255 C=C(C)CCC(=O)CCCCOC 1458a_200000688413_100000755781 [0,1,0,0,0,0|2,0,0]=3 2233 B12R0.255 C=C(C)CCC(=O)CCCOCC 1458a_200000688413_100012232248 [0,1,0,0,0,0|2,0,0]=3 2234 B12R0.255 C=C(C)CCC(=O)CCOCCC 1458a_200000688413_100011215938 [0,1,0,0,0,0|2,0,0]=3 2235 B12R0.255 C=C(C)CCC(=O)CCOCCO 1458a_100011229844_100000730704 [0,1,0,0,0,0|3,0,0]=4 2236 B12R0.255 C=C(C)CCC(=O)CCOCCO 1458a_200000688413_100011215305 [0,1,0,0,0,0|3,0,0]=4 2237 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,1,0,0,0,0|1,0,0]=2 2238 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,1,0,0,0,0|1,0,0]=2 2239 B12R0.255 C=C(C)CCC(=O)COCCOC 1458a_100000211095_100000730704 [0,1,0,0,0,0|2,0,0]=3 2240 B12R0.255 C=C(C)CCC(=O)CSCCCC 1458a_100000191162_100000730704 [0,1,0,0,0,0|1,1,0]=3 2241 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,1,0,0,0,0|2,0,0]=3 2242 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,1,0,0,0,0|2,0,0]=3 2243 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,1,0,0,0,0|2,0,0]=3 2244 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,1,0,0,0,0|2,0,0]=3 2245 B12R0.255 C=C(C)CCC(=O)NCCCCO 240690a_100000750430_200000688413 [0,1,0,0,0,0|2,0,0]=3 2246 B12R0.255 C=C(C)CCC(=O)NCCCCO 527a_100000750430_200000688413 [0,1,0,0,0,0|2,0,0]=3 2247 B12R0.255 C=C(C)CCC(=O)NCCCOC 1626a_100150723488_200000688413 [0,1,0,0,0,0|2,0,0]=3 2248 B12R0.255 C=C(C)CCC(=O)NCCCOC 240690a_100150723488_200000688413 [0,1,0,0,0,0|2,0,0]=3 2249 B12R0.255 C=C(C)CCC(=O)NCCCOC 527a_100150723488_200000688413 [0,1,0,0,0,0|2,0,0]=3 2250 B12R0.255 C=C(C)CCC(=O)NCCCSC 11a_100000749238_200000688413 [0,1,0,0,0,0|2,0,0]=3 2251 B12R0.255 C=C(C)CCC(=O)NCCCSC 1626a_100000749238_200000688413 [0,1,0,0,0,0|2,0,0]=3 2252 B12R0.255 C=C(C)CCC(=O)NCCCSC 240690a_100000749238_200000688413 [0,1,0,0,0,0|2,0,0]=3 2253 B12R0.255 C=C(C)CCC(=O)NCCCSC 527a_100000749238_200000688413 [0,1,0,0,0,0|2,0,0]=3 2254 B12R0.255 C=C(C)CCC(=O)NCCOCC 11a_100011200944_200000688413 [0,1,0,0,0,0|2,0,0]=3 2255 B12R0.255 C=C(C)CCC(=O)NCCOCC 1626a_102516460346_200000688413 [0,1,0,0,0,0|2,0,0]=3 2256 B12R0.255 C=C(C)CCC(=O)NCCOCC 240690a_100011200944_200000688413 [0,1,0,0,0,0|2,0,0]=3 2257 B12R0.255 C=C(C)CCC(=O)NCCOCC 527a_100011200944_200000688413 [0,1,0,0,0,0|2,0,0]=3 2258 B12R0.255 C=C(C)CCC(=O)NCCSCC 11a_100000106463_200000688413 [0,1,0,0,0,0|2,0,0]=3 2259 B12R0.255 C=C(C)CCC(=O)NCCSCC 1626a_100000106463_200000688413 [0,1,0,0,0,0|2,0,0]=3 2260 B12R0.255 C=C(C)CCC(=O)NCCSCC 240690a_100000106463_200000688413 [0,1,0,0,0,0|2,0,0]=3 2261 B12R0.255 C=C(C)CCC(=O)NCCSCC 527a_100000106463_200000688413 [0,1,0,0,0,0|2,0,0]=3 2262 B12R0.255 C=C(C)CCC(=O)NNCCCC 22a_100025702795_200000688413 [0,1,0,0,0,0|2,0,0]=3 2263 B12R0.255 C=C(C)CCC(=O)NNCCOC 22a_100000741390_200000688413 [0,1,0,0,0,0|3,0,0]=4 2264 B12R0.255 C=C(C)CNC(=O)C=CCCCC 11a_100000765925_100016266645 [0,1,0,0,0,0|3,0,0]=4 2265 B12R0.255 C=C(C)CNC(=O)C=CCCCC 1626a_100000765925_100016266645 [0,1,0,0,0,0|3,0,0]=4 2266 B12R0.255 C=C(C)CNC(=O)C=CCCCC 240690a_100000765925_100016266645 [0,1,0,0,0,0|3,0,0]=4 2267 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,1,0,0,0,0|3,0,0]=4 2268 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,1,0,0,0,0|3,0,0]=4 2269 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,1,0,0,0,0|3,0,0]=4 2270 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,1,0,0,0,0|3,0,0]=4 2271 B12R0.255 C=C(C)CNC(=O)CCCCCO 240690a_100000765925_100102619762 [0,1,0,0,0,0|3,0,0]=4 2272 B12R0.255 C=C(C)CNC(=O)COCCCC 11a_100000765925_100000757543 [0,1,0,0,0,0|2,0,0]=3 2273 B12R0.255 C=C(C)CNC(=O)COCCCC 1626a_100000765925_100000757543 [0,1,0,0,0,0|2,0,0]=3 2274 B12R0.255 C=C(C)CNC(=O)COCCCC 240690a_100000765925_100000757543 [0,1,0,0,0,0|2,0,0]=3 2275 B12R0.255 C=C(C)CNC(=O)COCCCC 527a_100000765925_100000757543 [0,1,0,0,0,0|2,0,0]=3 2276 B12R0.255 C=C(C)CNC(=O)COCCOC 11a_100000765925_100000211095 [0,1,0,0,0,0|3,0,0]=4 2277 B12R0.255 C=C(C)CNC(=O)COCCOC 1626a_100000765925_100000211095 [0,1,0,0,0,0|3,0,0]=4 2278 B12R0.255 C=C(C)CNC(=O)COCCOC 240690a_100000765925_100000211095 [0,1,0,0,0,0|3,0,0]=4 2279 B12R0.255 C=C(C)CNC(=O)COCCOC 527a_100000765925_100000211095 [0,1,0,0,0,0|3,0,0]=4 2280 B12R0.255 C=C(C)CNC(=O)CSCCCC 11a_100000765925_100000191162 [0,1,0,0,0,0|2,1,0]=4 2281 B12R0.255 C=C(C)CNC(=O)CSCCCC 1626a_100000765925_100000191162 [0,1,0,0,0,0|2,1,0]=4 2282 B12R0.255 C=C(C)CNC(=O)CSCCCC 240690a_100000765925_100000191162 [0,1,0,0,0,0|2,1,0]=4 2283 B12R0.255 C=C(C)CNC(=O)CSCCCC 527a_100000765925_100000191162 [0,1,0,0,0,0|2,1,0]=4 2284 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000209983_100000765925 [0,1,0,0,0,0|3,0,0]=4 2285 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000765925_100000209983 [0,1,0,0,0,0|3,0,0]=4 2286 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000209983_100000765925 [0,1,0,0,0,0|3,0,0]=4 2287 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000765925_100000209983 [0,1,0,0,0,0|3,0,0]=4 2288 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000209983_100000765925 [0,1,0,0,0,0|3,0,0]=4 2289 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000765925_100000209983 [0,1,0,0,0,0|3,0,0]=4 2290 B12R0.255 C=C(C)CNC(=O)NCCCCO 2708a_100000750430_100000765925 [0,1,0,0,0,0|3,0,0]=4 2291 B12R0.255 C=C(C)CNC(=O)NCCCCO 2708a_100000765925_100000750430 [0,1,0,0,0,0|3,0,0]=4 2292 B12R0.255 C=C(C)CNC(=O)NCCCCO 273464a_100000750430_100000765925 [0,1,0,0,0,0|3,0,0]=4 2293 B12R0.255 C=C(C)CNC(=O)NCCCCO 273464a_100000765925_100000750430 [0,1,0,0,0,0|3,0,0]=4 2294 B12R0.255 C=C(C)CNC(=O)NCCCCO 512a_100000750430_100000765925 [0,1,0,0,0,0|3,0,0]=4 2295 B12R0.255 C=C(C)CNC(=O)NCCCCO 512a_100000765925_100000750430 [0,1,0,0,0,0|3,0,0]=4 2296 B12R0.255 C=C(C)CNC(=O)NCCCOC 2708a_100000765925_100150723488 [0,1,0,0,0,0|3,0,0]=4 2297 B12R0.255 C=C(C)CNC(=O)NCCCOC 2708a_100150723488_100000765925 [0,1,0,0,0,0|3,0,0]=4 2298 B12R0.255 C=C(C)CNC(=O)NCCCOC 273464a_100000765925_100150723488 [0,1,0,0,0,0|3,0,0]=4 2299 B12R0.255 C=C(C)CNC(=O)NCCCOC 273464a_100150723488_100000765925 [0,1,0,0,0,0|3,0,0]=4 2300 B12R0.255 C=C(C)CNC(=O)NCCCOC 512a_100000765925_100150723488 [0,1,0,0,0,0|3,0,0]=4 2301 B12R0.255 C=C(C)CNC(=O)NCCCSC 2708a_100000749238_100000765925 [0,1,0,0,0,0|3,0,0]=4 2302 B12R0.255 C=C(C)CNC(=O)NCCCSC 2708a_100000765925_100000749238 [0,1,0,0,0,0|3,0,0]=4 2303 B12R0.255 C=C(C)CNC(=O)NCCCSC 273464a_100000749238_100000765925 [0,1,0,0,0,0|3,0,0]=4 2304 B12R0.255 C=C(C)CNC(=O)NCCCSC 273464a_100000765925_100000749238 [0,1,0,0,0,0|3,0,0]=4 2305 B12R0.255 C=C(C)CNC(=O)NCCCSC 512a_100000749238_100000765925 [0,1,0,0,0,0|3,0,0]=4 2306 B12R0.255 C=C(C)CNC(=O)NCCCSC 512a_100000765925_100000749238 [0,1,0,0,0,0|3,0,0]=4 2307 B12R0.255 C=C(C)CNC(=O)NCCOCC 2708a_100000765925_100011200944 [0,1,0,0,0,0|3,0,0]=4 2308 B12R0.255 C=C(C)CNC(=O)NCCOCC 2708a_100011200944_100000765925 [0,1,0,0,0,0|3,0,0]=4 2309 B12R0.255 C=C(C)CNC(=O)NCCOCC 273464a_100000765925_102516460346 [0,1,0,0,0,0|3,0,0]=4 2310 B12R0.255 C=C(C)CNC(=O)NCCOCC 273464a_102516460346_100000765925 [0,1,0,0,0,0|3,0,0]=4 2311 B12R0.255 C=C(C)CNC(=O)NCCOCC 512a_100000765925_100011200944 [0,1,0,0,0,0|3,0,0]=4 2312 B12R0.255 C=C(C)CNC(=O)NCCOCC 512a_100011200944_100000765925 [0,1,0,0,0,0|3,0,0]=4 2313 B12R0.255 C=C(C)CNC(=O)NCCSCC 2708a_100000106463_100000765925 [0,1,0,0,0,0|3,0,0]=4 2314 B12R0.255 C=C(C)CNC(=O)NCCSCC 2708a_100000765925_100000106463 [0,1,0,0,0,0|3,0,0]=4 2315 B12R0.255 C=C(C)CNC(=O)NCCSCC 273464a_100000106463_100000765925 [0,1,0,0,0,0|3,0,0]=4 2316 B12R0.255 C=C(C)CNC(=O)NCCSCC 273464a_100000765925_100000106463 [0,1,0,0,0,0|3,0,0]=4 2317 B12R0.255 C=C(C)CNC(=O)NCCSCC 512a_100000106463_100000765925 [0,1,0,0,0,0|3,0,0]=4 2318 B12R0.255 C=C(C)CNC(=O)NCCSCC 512a_100000765925_100000106463 [0,1,0,0,0,0|3,0,0]=4 2319 B12R0.255 C=C(C)CNC(=O)NNCCCC 273464a_100000765925_100025702795 [0,1,0,0,0,0|3,0,0]=4 2320 B12R0.255 C=C(C)CNC(=O)NNCCCC 512a_100000765925_100025702795 [0,1,0,0,0,0|3,0,0]=4 2321 B12R0.255 C=C(C)CNC(=O)NNCCCC 512a_100025702795_100000765925 [0,1,0,0,0,0|3,0,0]=4 2322 B12R0.255 C=CCCCCC(=O)CCC(=C)C 1458a_100011215552_100000730704 [0,1,0,0,0,0|2,0,1]=4 2323 B12R0.255 C=CCCCCC(=O)CCC(=C)C 1458a_200000688413_100011215482 [0,1,0,0,0,0|2,0,1]=4 2324 B12R0.255 C=CCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215482 [0,1,0,0,0,0|2,0,1]=4 2325 B12R0.255 C=CCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215482 [0,1,0,0,0,0|2,0,1]=4 2326 B12R0.255 C=CCCCCC(=O)COC(=O)C 1458a_100000183556_100011215482 [0,1,0,0,0,0|2,0,1]=4 2327 B12R0.255 C=CCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215482 [0,1,0,0,0,0|2,0,1]=4 2328 B12R0.255 C=CCCCNC(=O)CCC(=C)C 11a_100000700776_200000688413 [0,1,0,0,0,0|2,0,1]=4 2329 B12R0.255 C=CCCCNC(=O)CCC(=C)C 1626a_100000700776_200000688413 [0,1,0,0,0,0|2,0,1]=4 2330 B12R0.255 C=CCCCNC(=O)CCC(=C)C 240690a_100000700776_200000688413 [0,1,0,0,0,0|2,0,1]=4 2331 B12R0.255 C=CCCCNC(=O)CCC(=C)C 527a_100000700776_200000688413 [0,1,0,0,0,0|2,0,1]=4 2332 B12R0.255 C=CCCCNC(=O)CCC(=O)N 240690a_100000700776_100011215257 [0,1,0,0,0,0|2,0,1]=4 2333 B12R0.255 C=CCCCNC(=O)CCC(=O)N 527a_100000700776_100011215257 [0,1,0,0,0,0|2,0,1]=4 2334 B12R0.255 C=CCCCNC(=O)CNC(=O)C 11a_100000700776_100000194580 [0,1,0,0,0,0|2,0,1]=4 2335 B12R0.255 C=CCCCNC(=O)CNC(=O)C 1626a_100000700776_100000194580 [0,1,0,0,0,0|2,0,1]=4 2336 B12R0.255 C=CCCCNC(=O)CNC(=O)C 240690a_100000700776_100000194580 [0,1,0,0,0,0|2,0,1]=4 2337 B12R0.255 C=CCCCNC(=O)CNC(=O)C 527a_100000700776_100000194580 [0,1,0,0,0,0|2,0,1]=4 2338 B12R0.255 C=CCCCNC(=O)COC(=O)C 1626a_100000700776_100000183556 [0,1,0,0,0,0|2,0,1]=4 2339 B12R0.255 C=CCCCNC(=O)COC(=O)C 240690a_100000700776_100000183556 [0,1,0,0,0,0|2,0,1]=4 2340 B12R0.255 C=CCCCNC(=O)COC(=O)C 527a_100000700776_100000183556 [0,1,0,0,0,0|2,0,1]=4 2341 B12R0.255 C=CCCCNC(=O)CSC(=O)C 11a_100000700776_100000049016 [0,1,0,0,0,0|2,0,1]=4 2342 B12R0.255 C=CCCCNC(=O)CSC(=O)C 1626a_100000700776_100000049016 [0,1,0,0,0,0|2,0,1]=4 2343 B12R0.255 C=CCCCNC(=O)CSC(=O)C 240690a_100000700776_100000049016 [0,1,0,0,0,0|2,0,1]=4 2344 B12R0.255 C=CCCOCC(=O)COC(=O)C 34a_100011205117_100000036994 [0,1,0,0,0,0|1,0,2]=4 2345 B12R0.255 CC#CCOCC(=O)COC(=O)C 34a_100000761923_100000036994 [0,1,0,0,0,0|1,0,2]=4 2346 B12R0.255 CC(=CCC(=O)CCCCCF)C 1458a_100011220947_100000729378 [0,1,0,0,0,0|2,0,1]=4 2347 B12R0.255 CC(=CCC(=O)CCCCCO)C 1458a_100011220947_100000746330 [0,1,0,0,0,0|2,0,1]=4 2348 B12R0.255 CC(=CCC(=O)CCCCCO)C 1458a_100102619762_100000761012 [0,1,0,0,0,0|2,0,1]=4 2349 B12R0.255 CC(=CCC(=O)NCCCCO)C 240690a_100000750430_100011220947 [0,1,0,0,0,0|2,0,1]=4 2350 B12R0.255 CC(=CCC(=O)NCCCCO)C 527a_100000750430_100011220947 [0,1,0,0,0,0|2,0,1]=4 2351 B12R0.255 CC(=O)CCC(=O)OCCCCO 1458a_200009914559_200000210301 [0,1,0,0,0,0|0,0,0]=1 2352 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [0,1,0,0,0,0|3,0,0]=4 2353 B12R0.255 CC(=O)NCC(=O)CCCCC#N 1458a_100000194580_100000211819 [0,1,0,0,0,0|2,0,1]=4 2354 B12R0.255 CC(=O)NCC(=O)CCCCCF 1458a_100000194580_100000729378 [0,1,0,0,0,0|2,0,0]=3 2355 B12R0.255 CC(=O)NCC(=O)CCCCCO 1458a_100000194580_100000746330 [0,1,0,0,0,0|2,0,0]=3 2356 B12R0.255 CC(=O)NCC(=O)CCOCCO 1458a_100000194580_100011215305 [0,1,0,0,0,0|3,0,0]=4 2357 B12R0.255 CC(=O)NCC(=O)NCCCCO 240690a_100000750430_100000194580 [0,1,0,0,0,0|2,0,0]=3 2358 B12R0.255 CC(=O)NCC(=O)NCCCCO 527a_100000750430_100000194580 [0,1,0,0,0,0|2,0,0]=3 2359 B12R0.255 CC(=O)NNC(=O)CCCCCO 22a_100000189765_100102619762 [0,1,0,0,0,0|3,0,0]=4 2360 B12R0.255 CC(=O)NNC(=O)NCCCCO 273464a_100000750430_100000189765 [0,1,0,0,0,0|3,0,0]=4 2361 B12R0.255 CC(=O)NNC(=O)NCCCCO 512a_100000189765_100000750430 [0,1,0,0,0,0|3,0,0]=4 2362 B12R0.255 CC(=O)OCC(=O)CCCCC#N 1458a_100000183556_100000211819 [0,1,0,0,0,0|2,0,1]=4 2363 B12R0.255 CC(=O)OCC(=O)CCCCCF 1458a_100000183556_100000729378 [0,1,0,0,0,0|2,0,0]=3 2364 B12R0.255 CC(=O)OCC(=O)CCCCCO 1458a_100000183556_100000746330 [0,1,0,0,0,0|2,0,0]=3 2365 B12R0.255 CC(=O)OCC(=O)CCOCCO 1458a_100000183556_100011215305 [0,1,0,0,0,0|3,0,0]=4 2366 B12R0.255 CC(=O)OCC(=O)CNCCCF 34a_100015189416_100000036994 [0,1,0,0,0,0|3,0,0]=4 2367 B12R0.255 CC(=O)OCC(=O)COCCCBr 34a_100011217188_100000036994 [0,1,0,0,0,0|2,0,0]=3 2368 B12R0.255 CC(=O)OCC(=O)COCCCCl 34a_100000230001_100000036994 [0,1,0,0,0,0|2,0,0]=3 2369 B12R0.255 CC(=O)OCC(=O)COCCCF 34a_100000759539_100000036994 [0,1,0,0,0,0|2,0,0]=3 2370 B12R0.255 CC(=O)OCC(=O)COCCCN 34a_100000182051_100000036994 [0,1,0,0,0,0|2,0,0]=3 2371 B12R0.255 CC(=O)OCC(=O)COCCON 34a_100000700252_100000036994 [0,1,0,0,0,0|3,0,0]=4 2372 B12R0.255 CC(=O)OCC(=O)CSCCCF 62a_100000036994_100011934791 [0,1,0,0,0,0|2,1,0]=4 2373 B12R0.255 CC(=O)OCC(=O)CSCCCF 62a_100011934791_100000036994 [0,1,0,0,0,0|2,1,0]=4 2374 B12R0.255 CC(=O)OCC(=O)CSCCCO 62a_100000036994_100011215043 [0,1,0,0,0,0|2,1,0]=4 2375 B12R0.255 CC(=O)OCC(=O)CSCCCO 62a_100011215043_100000036994 [0,1,0,0,0,0|2,1,0]=4 2376 B12R0.255 CC(=O)OCC(=O)NCCCCO 240690a_100000750430_100000183556 [0,1,0,0,0,0|2,0,0]=3 2377 B12R0.255 CC(=O)OCC(=O)NCCCCO 527a_100000750430_100000183556 [0,1,0,0,0,0|2,0,0]=3 2378 B12R0.255 CC(=O)SCC(=O)CCCCC#N 1458a_100000049016_100000211819 [0,1,0,0,0,0|2,0,1]=4 2379 B12R0.255 CC(=O)SCC(=O)CCCCCF 1458a_100000049016_100000729378 [0,1,0,0,0,0|2,0,0]=3 2380 B12R0.255 CC(=O)SCC(=O)CCCCCO 1458a_100000049016_100000746330 [0,1,0,0,0,0|2,0,0]=3 2381 B12R0.255 CC(=O)SCC(=O)CCOCCO 1458a_100000049016_100011215305 [0,1,0,0,0,0|3,0,0]=4 2382 B12R0.255 CC(=O)SCC(=O)NCCCCO 240690a_100000750430_100000049016 [0,1,0,0,0,0|2,0,0]=3 2383 B12R0.255 CC(C)CCC(=O)CCCCCF 1458a_100000181311_100000729378 [0,1,0,0,0,0|2,0,1]=4 2384 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100000181311_100000746330 [0,1,0,0,0,0|2,0,1]=4 2385 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100102619762_100000210312 [0,1,0,0,0,0|2,0,1]=4 2386 B12R0.255 CC(C)CCC(=O)NCCCCO 240690a_100000750430_100000181311 [0,1,0,0,0,0|2,0,1]=4 2387 B12R0.255 CC(C)CCC(=O)NCCCCO 527a_100000750430_100000181311 [0,1,0,0,0,0|2,0,1]=4 2388 B12R0.255 CC(O)CCC(=O)CCCCCO 1458a_100102619762_100012276601 [0,1,0,0,0,0|1,0,2]=4 2389 B12R0.255 CC/C=C\CCC(=O)CCC(=O)N 1458a_100011215257_100015370543 [0,1,0,0,0,0|2,0,1]=4 2390 B12R0.255 CC/C=C\CCC(=O)CNC(=O)C 1458a_100000194580_100015370543 [0,1,0,0,0,0|2,0,1]=4 2391 B12R0.255 CC/C=C\CCC(=O)COC(=O)C 1458a_100000183556_100015370543 [0,1,0,0,0,0|2,0,1]=4 2392 B12R0.255 CC/C=C\CCC(=O)CSC(=O)C 1458a_100000049016_100015370543 [0,1,0,0,0,0|2,0,1]=4 2393 B12R0.255 CCCCC=CC(=O)CC=C(C)C 1458a_100016266645_100000761012 [0,1,0,0,0,0|2,0,1]=4 2394 B12R0.255 CCCCC=CC(=O)CCC(C)C 1458a_100016266645_100000210312 [0,1,0,0,0,0|2,0,1]=4 2395 B12R0.255 CCCCC=CC(=O)CCC(C)O 1458a_100016266645_100012276601 [0,1,0,0,0,0|1,0,2]=4 2396 B12R0.255 CCCCC=CC(=O)NCC(=O)N 11a_100000711301_100016266645 [0,1,0,0,0,0|3,0,0]=4 2397 B12R0.255 CCCCC=CC(=O)NCC(=O)N 240690a_100000711301_100016266645 [0,1,0,0,0,0|3,0,0]=4 2398 B12R0.255 CCCCC=CC(=O)NNC(=O)C 22a_100000189765_100016266645 [0,1,0,0,0,0|3,0,0]=4 2399 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,1,0,0,0,0|2,0,1]=4 2400 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,1,0,0,0,0|2,0,1]=4 2401 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,1,0,0,0,0|2,0,0]=3 2402 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,1,0,0,0,0|2,0,1]=4 2403 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,1,0,0,0,0|2,0,1]=4 2404 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,1,0,0,0,0|1,0,2]=4 2405 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,1,0,0,0,0|3,0,0]=4 2406 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,1,0,0,0,0|3,0,0]=4 2407 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,1,0,0,0,0|2,0,0]=3 2408 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,1,0,0,0,0|3,0,0]=4 2409 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,1,0,0,0,0|2,0,0]=3 2410 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,1,0,0,0,0|2,0,0]=3 2411 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,1,0,0,0,0|3,0,0]=4 2412 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,1,0,0,0,0|3,0,0]=4 2413 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,1,0,0,0,0|3,0,0]=4 2414 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100000189765_100102632555 [0,1,0,0,0,0|3,0,0]=4 2415 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100011221127_100000070787 [0,1,0,0,0,0|3,0,0]=4 2416 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,1,0,0,0,0|3,0,0]=4 2417 B12R0.255 CCCCCNC(=O)CC=C(C)C 11a_100000209983_100011220947 [0,1,0,0,0,0|2,0,1]=4 2418 B12R0.255 CCCCCNC(=O)CC=C(C)C 1626a_100000209983_100011220947 [0,1,0,0,0,0|2,0,1]=4 2419 B12R0.255 CCCCCNC(=O)CC=C(C)C 240690a_100000209983_100011220947 [0,1,0,0,0,0|2,0,1]=4 2420 B12R0.255 CCCCCNC(=O)CC=C(C)C 527a_100000209983_100011220947 [0,1,0,0,0,0|2,0,1]=4 2421 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,1,0,0,0,0|2,0,0]=3 2422 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,1,0,0,0,0|2,0,0]=3 2423 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [0,1,0,0,0,0|2,0,1]=4 2424 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [0,1,0,0,0,0|2,0,1]=4 2425 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [0,1,0,0,0,0|2,0,1]=4 2426 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [0,1,0,0,0,0|2,0,1]=4 2427 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,1,0,0,0,0|1,0,2]=4 2428 B12R0.255 CCCCCNC(=O)CCN(C)C 11a_100000209983_100000689311 [0,1,0,0,0,0|3,0,0]=4 2429 B12R0.255 CCCCCNC(=O)CCN(C)C 240690a_100000209983_100000689311 [0,1,0,0,0,0|3,0,0]=4 2430 B12R0.255 CCCCCNC(=O)CCN(C)C 527a_100000209983_100000689311 [0,1,0,0,0,0|3,0,0]=4 2431 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 11a_100000209983_200000064761 [0,1,0,0,0,0|3,0,0]=4 2432 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 1626a_100000209983_200000064761 [0,1,0,0,0,0|3,0,0]=4 2433 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 240690a_100000209983_200000064761 [0,1,0,0,0,0|3,0,0]=4 2434 B12R0.255 CCCCCNC(=O)CC[S+](C)C 11a_100000209983_100009452791 [0,1,0,0,0,0|3,0,0]=4 2435 B12R0.255 CCCCCNC(=O)CC[S+](C)C 1626a_100000209983_100009452791 [0,1,0,0,0,0|3,0,0]=4 2436 B12R0.255 CCCCCNC(=O)CC[S+](C)C 240690a_100000209983_100009452791 [0,1,0,0,0,0|3,0,0]=4 2437 B12R0.255 CCCCCNC(=O)CNC(=O)C 11a_100000209983_100000194580 [0,1,0,0,0,0|2,0,0]=3 2438 B12R0.255 CCCCCNC(=O)CNC(=O)C 1626a_100000209983_100000194580 [0,1,0,0,0,0|2,0,0]=3 2439 B12R0.255 CCCCCNC(=O)CNC(=O)C 240690a_100000209983_100000194580 [0,1,0,0,0,0|2,0,0]=3 2440 B12R0.255 CCCCCNC(=O)CNC(=O)C 527a_100000209983_100000194580 [0,1,0,0,0,0|2,0,0]=3 2441 B12R0.255 CCCCCNC(=O)CNC(=O)N 240690a_100000209983_100000184981 [0,1,0,0,0,0|3,0,0]=4 2442 B12R0.255 CCCCCNC(=O)CNC(=O)N 527a_100000209983_100000184981 [0,1,0,0,0,0|3,0,0]=4 2443 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,1,0,0,0,0|2,0,0]=3 2444 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,1,0,0,0,0|2,0,0]=3 2445 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,1,0,0,0,0|2,0,0]=3 2446 B12R0.255 CCCCCNC(=O)CSC(=O)C 11a_100000209983_100000049016 [0,1,0,0,0,0|2,0,0]=3 2447 B12R0.255 CCCCCNC(=O)CSC(=O)C 1626a_100000209983_100000049016 [0,1,0,0,0,0|2,0,0]=3 2448 B12R0.255 CCCCCNC(=O)CSC(=O)C 240690a_100000209983_100000049016 [0,1,0,0,0,0|2,0,0]=3 2449 B12R0.255 CCCCCNC(=O)CSC(=O)N 240690a_100000209983_200015941356 [0,1,0,0,0,0|3,0,0]=4 2450 B12R0.255 CCCCCNC(=O)NCC(=O)N 2708a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 2451 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 2452 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000209983 [0,1,0,0,0,0|3,0,0]=4 2453 B12R0.255 CCCCCNC(=O)NCC(=O)N 512a_100000209983_100000711301 [0,1,0,0,0,0|3,0,0]=4 2454 B12R0.255 CCCCCNC(=O)NNC(=O)C 273464a_100000209983_100000189765 [0,1,0,0,0,0|3,0,0]=4 2455 B12R0.255 CCCCCNC(=O)NNC(=O)C 512a_100000189765_100000209983 [0,1,0,0,0,0|3,0,0]=4 2456 B12R0.255 CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210211 [0,1,0,0,0,0|3,0,0]=4 2457 B12R0.255 CCCCNCC(=O)NNC(=O)C 2230a_100000102301_100000181415 [0,1,0,0,0,0|3,0,0]=4 2458 B12R0.255 CCCCNCC(=O)NNC(=O)C 7a_106832991798_100000181415 [0,1,0,0,0,0|3,0,0]=4 2459 B12R0.255 CCCCNN=C(C)COC(=O)C 4a_100025702795_100000000629 [0,1,0,0,0,0|3,0,0]=4 2460 B12R0.255 CCCCNNC(=O)CC=C(C)C 22a_100025702795_100011220947 [0,1,0,0,0,0|2,0,1]=4 2461 B12R0.255 CCCCNNC(=O)CCC(=O)N 22a_100025702795_100011215257 [0,1,0,0,0,0|2,0,0]=3 2462 B12R0.255 CCCCNNC(=O)CCC(C)C 22a_100025702795_100000181311 [0,1,0,0,0,0|2,0,1]=4 2463 B12R0.255 CCCCNNC(=O)CCN(C)C 22a_100025702795_100000689311 [0,1,0,0,0,0|3,0,0]=4 2464 B12R0.255 CCCCNNC(=O)CC[S+](C)C 22a_100025702795_100009452791 [0,1,0,0,0,0|3,0,0]=4 2465 B12R0.255 CCCCNNC(=O)CNC(=O)C 22a_100025702795_100000194580 [0,1,0,0,0,0|2,0,0]=3 2466 B12R0.255 CCCCNNC(=O)CNC(=O)N 22a_100025702795_100000184981 [0,1,0,0,0,0|3,0,0]=4 2467 B12R0.255 CCCCNNC(=O)COC(=O)C 22a_100025702795_100000183556 [0,1,0,0,0,0|2,0,0]=3 2468 B12R0.255 CCCCNNC(=O)NCC(=O)N 273464a_100000711301_100025702795 [0,1,0,0,0,0|3,0,0]=4 2469 B12R0.255 CCCCNNC(=O)NCC(=O)N 512a_100025702795_100000711301 [0,1,0,0,0,0|3,0,0]=4 2470 B12R0.255 CCCCNNC(=O)NNC(=O)C 512a_100000189765_100025702795 [0,1,0,0,0,0|3,0,0]=4 2471 B12R0.255 CCCCOCC(=O)CC=C(C)C 1458a_100000757543_100000761012 [0,1,0,0,0,0|1,0,1]=3 2472 B12R0.255 CCCCOCC(=O)CC=C(C)C 1458a_100011220947_100011995733 [0,1,0,0,0,0|1,0,1]=3 2473 B12R0.255 CCCCOCC(=O)CCC(=O)N 1458a_100011215257_100011995733 [0,1,0,0,0,0|1,0,0]=2 2474 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000181311_100011995733 [0,1,0,0,0,0|1,0,1]=3 2475 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000757543_100000210312 [0,1,0,0,0,0|1,0,1]=3 2476 B12R0.255 CCCCOCC(=O)CCC(C)O 1458a_100000757543_100012276601 [0,1,0,0,0,0|0,0,2]=3 2477 B12R0.255 CCCCOCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011995733 [0,1,0,0,0,0|2,0,0]=3 2478 B12R0.255 CCCCOCC(=O)CC[S+](C)C 1458a_100009452791_100011995733 [0,1,0,0,0,0|2,0,0]=3 2479 B12R0.255 CCCCOCC(=O)CNC(=O)C 1458a_100000194580_100011995733 [0,1,0,0,0,0|1,0,0]=2 2480 B12R0.255 CCCCOCC(=O)CNC(=O)N 1458a_100000184981_100011995733 [0,1,0,0,0,0|2,0,0]=3 2481 B12R0.255 CCCCOCC(=O)COC(=O)C 1458a_100000183556_100011995733 [0,1,0,0,0,0|1,0,0]=2 2482 B12R0.255 CCCCOCC(=O)COC(=O)C 34a_100000210227_100000036994 [0,1,0,0,0,0|1,0,0]=2 2483 B12R0.255 CCCCOCC(=O)COC(C)C 1458a_100000745533_100011995733 [0,1,0,0,0,0|2,0,1]=4 2484 B12R0.255 CCCCOCC(=O)CSC(=O)C 1458a_100000049016_100011995733 [0,1,0,0,0,0|1,0,0]=2 2485 B12R0.255 CCCCOCC(=O)CSC(C)C 1458a_100000241585_100011995733 [0,1,0,0,0,0|2,0,1]=4 2486 B12R0.255 CCCCOCC(=O)NCC(=O)N 11a_100000711301_100000757543 [0,1,0,0,0,0|2,0,0]=3 2487 B12R0.255 CCCCOCC(=O)NCC(=O)N 240690a_100000711301_100000757543 [0,1,0,0,0,0|2,0,0]=3 2488 B12R0.255 CCCCOCC(=O)NCC(=O)N 527a_100000711301_100000757543 [0,1,0,0,0,0|2,0,0]=3 2489 B12R0.255 CCCCOCC(=O)NCC(C)C 11a_100000210953_100000757543 [0,1,0,0,0,0|2,0,1]=4 2490 B12R0.255 CCCCOCC(=O)NCC(C)C 1626a_100000210953_100000757543 [0,1,0,0,0,0|2,0,1]=4 2491 B12R0.255 CCCCOCC(=O)NCC(C)C 240690a_100000210953_100000757543 [0,1,0,0,0,0|2,0,1]=4 2492 B12R0.255 CCCCOCC(=O)NCC(C)C 34a_100000210227_100000183291 [0,1,0,0,0,0|2,0,1]=4 2493 B12R0.255 CCCCOCC(=O)NCC(C)C 527a_100000210953_100000757543 [0,1,0,0,0,0|2,0,1]=4 2494 B12R0.255 CCCCOCC(=O)NCC(C)C 7a_100000210227_100000183291 [0,1,0,0,0,0|2,0,1]=4 2495 B12R0.255 CCCCOCC(=O)NCC(C)O 11a_100000210904_100000757543 [0,1,0,0,0,0|1,0,2]=4 2496 B12R0.255 CCCCOCC(=O)NCC(C)O 240690a_100000210904_100000757543 [0,1,0,0,0,0|1,0,2]=4 2497 B12R0.255 CCCCOCC(=O)NCC(C)O 527a_100000210904_100000757543 [0,1,0,0,0,0|1,0,2]=4 2498 B12R0.255 CCCCOCC(=O)NNC(=O)C 22a_100000189765_100000757543 [0,1,0,0,0,0|2,0,0]=3 2499 B12R0.255 CCCCOCC(=O)NNC(=O)C 7a_100000210227_100000181415 [0,1,0,0,0,0|2,0,0]=3 2500 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,1,0,0,0,0|2,0,1]=4 2501 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,1,0,0,0,0|2,0,1]=4 2502 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,1,0,0,0,0|1,0,2]=4 2503 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,1,0,0,0,0|1,0,2]=4 2504 B12R0.255 CCCCOCN(C)CCC(=O)N 2230a_100000730477_100011995733 [0,1,0,0,0,0|3,0,0]=4 2505 B12R0.255 CCCCSCC(=O)CC=C(C)C 1458a_100000191162_100000761012 [0,1,0,0,0,0|1,1,1]=4 2506 B12R0.255 CCCCSCC(=O)CCC(C)C 1458a_100000191162_100000210312 [0,1,0,0,0,0|1,1,1]=4 2507 B12R0.255 CCCCSCC(=O)CCC(C)O 1458a_100000191162_100012276601 [0,1,0,0,0,0|0,1,2]=4 2508 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000036994_100000210210 [0,1,0,0,0,0|1,1,0]=3 2509 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000210211_100000036994 [0,1,0,0,0,0|1,1,0]=3 2510 B12R0.255 CCCCSCC(=O)NCC(=O)N 11a_100000711301_100000191162 [0,1,0,0,0,0|2,1,0]=4 2511 B12R0.255 CCCCSCC(=O)NCC(=O)N 240690a_100000711301_100000191162 [0,1,0,0,0,0|2,1,0]=4 2512 B12R0.255 CCCCSCC(=O)NCC(=O)N 527a_100000711301_100000191162 [0,1,0,0,0,0|2,1,0]=4 2513 B12R0.255 CCCCSCC(=O)NNC(=O)C 22a_100000189765_100000191162 [0,1,0,0,0,0|2,1,0]=4 2514 B12R0.255 CCCCSCC(=O)NNC(=O)C 62a_100000181415_100000210210 [0,1,0,0,0,0|2,1,0]=4 2515 B12R0.255 CCCCSCC(=O)NNC(=O)C 62a_100000210211_100000181415 [0,1,0,0,0,0|2,1,0]=4 2516 B12R0.255 CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210207 [0,1,0,0,0,0|3,0,0]=4 2517 B12R0.255 CCCOCCC(=O)CC=C(C)C 1458a_100011220947_100011215938 [0,1,0,0,0,0|2,0,1]=4 2518 B12R0.255 CCCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215938 [0,1,0,0,0,0|2,0,0]=3 2519 B12R0.255 CCCOCCC(=O)CCC(C)C 1458a_100000181311_100011215938 [0,1,0,0,0,0|2,0,1]=4 2520 B12R0.255 CCCOCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215938 [0,1,0,0,0,0|3,0,0]=4 2521 B12R0.255 CCCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215938 [0,1,0,0,0,0|3,0,0]=4 2522 B12R0.255 CCCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215938 [0,1,0,0,0,0|2,0,0]=3 2523 B12R0.255 CCCOCCC(=O)CNC(=O)N 1458a_100000184981_100011215938 [0,1,0,0,0,0|3,0,0]=4 2524 B12R0.255 CCCOCCC(=O)COC(=O)C 1458a_100000183556_100011215938 [0,1,0,0,0,0|2,0,0]=3 2525 B12R0.255 CCCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215938 [0,1,0,0,0,0|2,0,0]=3 2526 B12R0.255 CCOCCCC(=O)CC=C(C)C 1458a_100011220947_100012232248 [0,1,0,0,0,0|2,0,1]=4 2527 B12R0.255 CCOCCCC(=O)CCC(=O)N 1458a_100011215257_100012232248 [0,1,0,0,0,0|2,0,0]=3 2528 B12R0.255 CCOCCCC(=O)CCC(C)C 1458a_100000181311_100012232248 [0,1,0,0,0,0|2,0,1]=4 2529 B12R0.255 CCOCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100012232248 [0,1,0,0,0,0|3,0,0]=4 2530 B12R0.255 CCOCCCC(=O)CC[S+](C)C 1458a_100009452791_100012232248 [0,1,0,0,0,0|3,0,0]=4 2531 B12R0.255 CCOCCCC(=O)CNC(=O)C 1458a_100000194580_100012232248 [0,1,0,0,0,0|2,0,0]=3 2532 B12R0.255 CCOCCCC(=O)CNC(=O)N 1458a_100000184981_100012232248 [0,1,0,0,0,0|3,0,0]=4 2533 B12R0.255 CCOCCCC(=O)COC(=O)C 1458a_100000183556_100012232248 [0,1,0,0,0,0|2,0,0]=3 2534 B12R0.255 CCOCCCC(=O)CSC(=O)C 1458a_100000049016_100012232248 [0,1,0,0,0,0|2,0,0]=3 2535 B12R0.255 CCOCCNC(=O)CC=C(C)C 11a_100011200944_100011220947 [0,1,0,0,0,0|2,0,1]=4 2536 B12R0.255 CCOCCNC(=O)CC=C(C)C 1626a_102516460346_100011220947 [0,1,0,0,0,0|2,0,1]=4 2537 B12R0.255 CCOCCNC(=O)CC=C(C)C 240690a_100011200944_100011220947 [0,1,0,0,0,0|2,0,1]=4 2538 B12R0.255 CCOCCNC(=O)CC=C(C)C 527a_100011200944_100011220947 [0,1,0,0,0,0|2,0,1]=4 2539 B12R0.255 CCOCCNC(=O)CCC(=O)N 240690a_100011200944_100011215257 [0,1,0,0,0,0|2,0,0]=3 2540 B12R0.255 CCOCCNC(=O)CCC(=O)N 527a_100011200944_100011215257 [0,1,0,0,0,0|2,0,0]=3 2541 B12R0.255 CCOCCNC(=O)CCC(C)C 11a_100011200944_100000181311 [0,1,0,0,0,0|2,0,1]=4 2542 B12R0.255 CCOCCNC(=O)CCC(C)C 1626a_102516460346_100000181311 [0,1,0,0,0,0|2,0,1]=4 2543 B12R0.255 CCOCCNC(=O)CCC(C)C 240690a_100011200944_100000181311 [0,1,0,0,0,0|2,0,1]=4 2544 B12R0.255 CCOCCNC(=O)CCC(C)C 527a_100011200944_100000181311 [0,1,0,0,0,0|2,0,1]=4 2545 B12R0.255 CCOCCNC(=O)CCC(C)O 1626a_102516460346_100000718519 [0,1,0,0,0,0|1,0,2]=4 2546 B12R0.255 CCOCCNC(=O)CCN(C)C 11a_100011200944_100000689311 [0,1,0,0,0,0|3,0,0]=4 2547 B12R0.255 CCOCCNC(=O)CCN(C)C 240690a_100011200944_100000689311 [0,1,0,0,0,0|3,0,0]=4 2548 B12R0.255 CCOCCNC(=O)CCN(C)C 527a_100011200944_100000689311 [0,1,0,0,0,0|3,0,0]=4 2549 B12R0.255 CCOCCNC(=O)CC[N+](=O)[O-] 11a_100011200944_200000064761 [0,1,0,0,0,0|3,0,0]=4 2550 B12R0.255 CCOCCNC(=O)CC[N+](=O)[O-] 1626a_102516460346_200000064761 [0,1,0,0,0,0|3,0,0]=4 2551 B12R0.255 CCOCCNC(=O)CC[N+](=O)[O-] 240690a_100011200944_200000064761 [0,1,0,0,0,0|3,0,0]=4 2552 B12R0.255 CCOCCNC(=O)CC[S+](C)C 11a_100011200944_100009452791 [0,1,0,0,0,0|3,0,0]=4 2553 B12R0.255 CCOCCNC(=O)CC[S+](C)C 1626a_102516460346_100009452791 [0,1,0,0,0,0|3,0,0]=4 2554 B12R0.255 CCOCCNC(=O)CC[S+](C)C 240690a_100011200944_100009452791 [0,1,0,0,0,0|3,0,0]=4 2555 B12R0.255 CCOCCNC(=O)CNC(=O)C 11a_100011200944_100000194580 [0,1,0,0,0,0|2,0,0]=3 2556 B12R0.255 CCOCCNC(=O)CNC(=O)C 1626a_102516460346_100000194580 [0,1,0,0,0,0|2,0,0]=3 2557 B12R0.255 CCOCCNC(=O)CNC(=O)C 240690a_100011200944_100000194580 [0,1,0,0,0,0|2,0,0]=3 2558 B12R0.255 CCOCCNC(=O)CNC(=O)C 527a_100011200944_100000194580 [0,1,0,0,0,0|2,0,0]=3 2559 B12R0.255 CCOCCNC(=O)CNC(=O)N 240690a_100011200944_100000184981 [0,1,0,0,0,0|3,0,0]=4 2560 B12R0.255 CCOCCNC(=O)CNC(=O)N 527a_100011200944_100000184981 [0,1,0,0,0,0|3,0,0]=4 2561 B12R0.255 CCOCCNC(=O)COC(=O)C 1626a_102516460346_100000183556 [0,1,0,0,0,0|2,0,0]=3 2562 B12R0.255 CCOCCNC(=O)COC(=O)C 240690a_100011200944_100000183556 [0,1,0,0,0,0|2,0,0]=3 2563 B12R0.255 CCOCCNC(=O)COC(=O)C 527a_100011200944_100000183556 [0,1,0,0,0,0|2,0,0]=3 2564 B12R0.255 CCOCCNC(=O)CSC(=O)C 11a_100011200944_100000049016 [0,1,0,0,0,0|2,0,0]=3 2565 B12R0.255 CCOCCNC(=O)CSC(=O)C 1626a_102516460346_100000049016 [0,1,0,0,0,0|2,0,0]=3 2566 B12R0.255 CCOCCNC(=O)CSC(=O)C 240690a_100011200944_100000049016 [0,1,0,0,0,0|2,0,0]=3 2567 B12R0.255 CCOCCNC(=O)CSC(=O)N 240690a_100011200944_200015941356 [0,1,0,0,0,0|3,0,0]=4 2568 B12R0.255 CCOCCNC(=O)NCC(=O)N 2708a_100011200944_100000711301 [0,1,0,0,0,0|3,0,0]=4 2569 B12R0.255 CCOCCNC(=O)NCC(=O)N 273464a_100000711301_102516460346 [0,1,0,0,0,0|3,0,0]=4 2570 B12R0.255 CCOCCNC(=O)NCC(=O)N 273464a_102516460346_100000711301 [0,1,0,0,0,0|3,0,0]=4 2571 B12R0.255 CCOCCNC(=O)NCC(=O)N 512a_100011200944_100000711301 [0,1,0,0,0,0|3,0,0]=4 2572 B12R0.255 CCOCCNC(=O)NNC(=O)C 273464a_102516460346_100000189765 [0,1,0,0,0,0|3,0,0]=4 2573 B12R0.255 CCOCCNC(=O)NNC(=O)C 512a_100000189765_100011200944 [0,1,0,0,0,0|3,0,0]=4 2574 B12R0.255 CCOCCOC(=O)CNC(C)C 2230a_100138425928_200000101388 [0,1,0,0,0,0|2,0,1]=4 2575 B12R0.255 CCOCCOC(=O)CNC(C)C 34a_100138425928_200000101388 [0,1,0,0,0,0|2,0,1]=4 2576 B12R0.255 CCOCCOC(=O)COC(C)C 34a_100000212225_200000101388 [0,1,0,0,0,0|2,0,1]=4 2577 B12R0.255 CCOCCOC(=O)CSC(C)C 62a_100000210206_200000101388 [0,1,0,0,0,0|2,0,1]=4 2578 B12R0.255 CCOCCOC(=O)CSC(C)C 62a_200000101388_100000210206 [0,1,0,0,0,0|2,0,1]=4 2579 B12R0.255 CCOCSCC(=O)COC(=O)C 62a_100000036994_100000739092 [0,1,0,0,0,0|2,1,0]=4 2580 B12R0.255 CCOCSCC(=O)COC(=O)C 62a_100000739092_100000036994 [0,1,0,0,0,0|2,1,0]=4 2581 B12R0.255 CCSCCNC(=O)CC=C(C)C 11a_100000106463_100011220947 [0,1,0,0,0,0|2,0,1]=4 2582 B12R0.255 CCSCCNC(=O)CC=C(C)C 1626a_100000106463_100011220947 [0,1,0,0,0,0|2,0,1]=4 2583 B12R0.255 CCSCCNC(=O)CC=C(C)C 240690a_100000106463_100011220947 [0,1,0,0,0,0|2,0,1]=4 2584 B12R0.255 CCSCCNC(=O)CC=C(C)C 527a_100000106463_100011220947 [0,1,0,0,0,0|2,0,1]=4 2585 B12R0.255 CCSCCNC(=O)CCC(=O)N 240690a_100000106463_100011215257 [0,1,0,0,0,0|2,0,0]=3 2586 B12R0.255 CCSCCNC(=O)CCC(=O)N 527a_100000106463_100011215257 [0,1,0,0,0,0|2,0,0]=3 2587 B12R0.255 CCSCCNC(=O)CCC(C)C 11a_100000106463_100000181311 [0,1,0,0,0,0|2,0,1]=4 2588 B12R0.255 CCSCCNC(=O)CCC(C)C 1626a_100000106463_100000181311 [0,1,0,0,0,0|2,0,1]=4 2589 B12R0.255 CCSCCNC(=O)CCC(C)C 240690a_100000106463_100000181311 [0,1,0,0,0,0|2,0,1]=4 2590 B12R0.255 CCSCCNC(=O)CCC(C)C 527a_100000106463_100000181311 [0,1,0,0,0,0|2,0,1]=4 2591 B12R0.255 CCSCCNC(=O)CCC(C)O 1626a_100000106463_100000718519 [0,1,0,0,0,0|1,0,2]=4 2592 B12R0.255 CCSCCNC(=O)CCN(C)C 11a_100000106463_100000689311 [0,1,0,0,0,0|3,0,0]=4 2593 B12R0.255 CCSCCNC(=O)CCN(C)C 240690a_100000106463_100000689311 [0,1,0,0,0,0|3,0,0]=4 2594 B12R0.255 CCSCCNC(=O)CCN(C)C 527a_100000106463_100000689311 [0,1,0,0,0,0|3,0,0]=4 2595 B12R0.255 CCSCCNC(=O)CC[N+](=O)[O-] 11a_100000106463_200000064761 [0,1,0,0,0,0|3,0,0]=4 2596 B12R0.255 CCSCCNC(=O)CC[N+](=O)[O-] 1626a_100000106463_200000064761 [0,1,0,0,0,0|3,0,0]=4 2597 B12R0.255 CCSCCNC(=O)CC[N+](=O)[O-] 240690a_100000106463_200000064761 [0,1,0,0,0,0|3,0,0]=4 2598 B12R0.255 CCSCCNC(=O)CC[S+](C)C 11a_100000106463_100009452791 [0,1,0,0,0,0|3,0,0]=4 2599 B12R0.255 CCSCCNC(=O)CC[S+](C)C 1626a_100000106463_100009452791 [0,1,0,0,0,0|3,0,0]=4 2600 B12R0.255 CCSCCNC(=O)CC[S+](C)C 240690a_100000106463_100009452791 [0,1,0,0,0,0|3,0,0]=4 2601 B12R0.255 CCSCCNC(=O)CNC(=O)C 11a_100000106463_100000194580 [0,1,0,0,0,0|2,0,0]=3 2602 B12R0.255 CCSCCNC(=O)CNC(=O)C 1626a_100000106463_100000194580 [0,1,0,0,0,0|2,0,0]=3 2603 B12R0.255 CCSCCNC(=O)CNC(=O)C 240690a_100000106463_100000194580 [0,1,0,0,0,0|2,0,0]=3 2604 B12R0.255 CCSCCNC(=O)CNC(=O)C 527a_100000106463_100000194580 [0,1,0,0,0,0|2,0,0]=3 2605 B12R0.255 CCSCCNC(=O)CNC(=O)N 240690a_100000106463_100000184981 [0,1,0,0,0,0|3,0,0]=4 2606 B12R0.255 CCSCCNC(=O)CNC(=O)N 527a_100000106463_100000184981 [0,1,0,0,0,0|3,0,0]=4 2607 B12R0.255 CCSCCNC(=O)COC(=O)C 1626a_100000106463_100000183556 [0,1,0,0,0,0|2,0,0]=3 2608 B12R0.255 CCSCCNC(=O)COC(=O)C 240690a_100000106463_100000183556 [0,1,0,0,0,0|2,0,0]=3 2609 B12R0.255 CCSCCNC(=O)COC(=O)C 527a_100000106463_100000183556 [0,1,0,0,0,0|2,0,0]=3 2610 B12R0.255 CCSCCNC(=O)CSC(=O)C 11a_100000106463_100000049016 [0,1,0,0,0,0|2,0,0]=3 2611 B12R0.255 CCSCCNC(=O)CSC(=O)C 1626a_100000106463_100000049016 [0,1,0,0,0,0|2,0,0]=3 2612 B12R0.255 CCSCCNC(=O)CSC(=O)C 240690a_100000106463_100000049016 [0,1,0,0,0,0|2,0,0]=3 2613 B12R0.255 CCSCCNC(=O)CSC(=O)N 240690a_100000106463_200015941356 [0,1,0,0,0,0|3,0,0]=4 2614 B12R0.255 CCSCCNC(=O)NCC(=O)N 2708a_100000106463_100000711301 [0,1,0,0,0,0|3,0,0]=4 2615 B12R0.255 CCSCCNC(=O)NCC(=O)N 273464a_100000106463_100000711301 [0,1,0,0,0,0|3,0,0]=4 2616 B12R0.255 CCSCCNC(=O)NCC(=O)N 273464a_100000711301_100000106463 [0,1,0,0,0,0|3,0,0]=4 2617 B12R0.255 CCSCCNC(=O)NCC(=O)N 512a_100000106463_100000711301 [0,1,0,0,0,0|3,0,0]=4 2618 B12R0.255 CCSCCNC(=O)NNC(=O)C 273464a_100000106463_100000189765 [0,1,0,0,0,0|3,0,0]=4 2619 B12R0.255 CCSCCNC(=O)NNC(=O)C 512a_100000189765_100000106463 [0,1,0,0,0,0|3,0,0]=4 2620 B12R0.255 CN(C)CCC(=O)NCCCCO 240690a_100000750430_100000689311 [0,1,0,0,0,0|3,0,0]=4 2621 B12R0.255 CN(C)CCC(=O)NCCCCO 527a_100000750430_100000689311 [0,1,0,0,0,0|3,0,0]=4 2622 B12R0.255 COCCCCC(=O)CC=C(C)C 1458a_100011220947_100000755781 [0,1,0,0,0,0|2,0,1]=4 2623 B12R0.255 COCCCCC(=O)CCC(=O)N 1458a_100011215257_100000755781 [0,1,0,0,0,0|2,0,0]=3 2624 B12R0.255 COCCCCC(=O)CCC(C)C 1458a_100000181311_100000755781 [0,1,0,0,0,0|2,0,1]=4 2625 B12R0.255 COCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000755781 [0,1,0,0,0,0|3,0,0]=4 2626 B12R0.255 COCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000755781 [0,1,0,0,0,0|3,0,0]=4 2627 B12R0.255 COCCCCC(=O)CNC(=O)C 1458a_100000194580_100000755781 [0,1,0,0,0,0|2,0,0]=3 2628 B12R0.255 COCCCCC(=O)CNC(=O)N 1458a_100000184981_100000755781 [0,1,0,0,0,0|3,0,0]=4 2629 B12R0.255 COCCCCC(=O)COC(=O)C 1458a_100000183556_100000755781 [0,1,0,0,0,0|2,0,0]=3 2630 B12R0.255 COCCCCC(=O)CSC(=O)C 1458a_100000049016_100000755781 [0,1,0,0,0,0|2,0,0]=3 2631 B12R0.255 COCCCNC(=O)CC=C(C)C 1626a_100150723488_100011220947 [0,1,0,0,0,0|2,0,1]=4 2632 B12R0.255 COCCCNC(=O)CC=C(C)C 240690a_100150723488_100011220947 [0,1,0,0,0,0|2,0,1]=4 2633 B12R0.255 COCCCNC(=O)CC=C(C)C 527a_100150723488_100011220947 [0,1,0,0,0,0|2,0,1]=4 2634 B12R0.255 COCCCNC(=O)CCC(=O)N 240690a_100150723488_100011215257 [0,1,0,0,0,0|2,0,0]=3 2635 B12R0.255 COCCCNC(=O)CCC(=O)N 527a_100150723488_100011215257 [0,1,0,0,0,0|2,0,0]=3 2636 B12R0.255 COCCCNC(=O)CCC(C)C 1626a_100150723488_100000181311 [0,1,0,0,0,0|2,0,1]=4 2637 B12R0.255 COCCCNC(=O)CCC(C)C 240690a_100150723488_100000181311 [0,1,0,0,0,0|2,0,1]=4 2638 B12R0.255 COCCCNC(=O)CCC(C)C 527a_100150723488_100000181311 [0,1,0,0,0,0|2,0,1]=4 2639 B12R0.255 COCCCNC(=O)CCC(C)O 1626a_100150723488_100000718519 [0,1,0,0,0,0|1,0,2]=4 2640 B12R0.255 COCCCNC(=O)CCN(C)C 240690a_100150723488_100000689311 [0,1,0,0,0,0|3,0,0]=4 2641 B12R0.255 COCCCNC(=O)CCN(C)C 527a_100150723488_100000689311 [0,1,0,0,0,0|3,0,0]=4 2642 B12R0.255 COCCCNC(=O)CC[N+](=O)[O-] 1626a_100150723488_200000064761 [0,1,0,0,0,0|3,0,0]=4 2643 B12R0.255 COCCCNC(=O)CC[N+](=O)[O-] 240690a_100150723488_200000064761 [0,1,0,0,0,0|3,0,0]=4 2644 B12R0.255 COCCCNC(=O)CC[S+](C)C 1626a_100150723488_100009452791 [0,1,0,0,0,0|3,0,0]=4 2645 B12R0.255 COCCCNC(=O)CC[S+](C)C 240690a_100150723488_100009452791 [0,1,0,0,0,0|3,0,0]=4 2646 B12R0.255 COCCCNC(=O)CNC(=O)C 1626a_100150723488_100000194580 [0,1,0,0,0,0|2,0,0]=3 2647 B12R0.255 COCCCNC(=O)CNC(=O)C 240690a_100150723488_100000194580 [0,1,0,0,0,0|2,0,0]=3 2648 B12R0.255 COCCCNC(=O)CNC(=O)C 527a_100150723488_100000194580 [0,1,0,0,0,0|2,0,0]=3 2649 B12R0.255 COCCCNC(=O)CNC(=O)N 240690a_100150723488_100000184981 [0,1,0,0,0,0|3,0,0]=4 2650 B12R0.255 COCCCNC(=O)CNC(=O)N 527a_100150723488_100000184981 [0,1,0,0,0,0|3,0,0]=4 2651 B12R0.255 COCCCNC(=O)COC(=O)C 1626a_100150723488_100000183556 [0,1,0,0,0,0|2,0,0]=3 2652 B12R0.255 COCCCNC(=O)COC(=O)C 240690a_100150723488_100000183556 [0,1,0,0,0,0|2,0,0]=3 2653 B12R0.255 COCCCNC(=O)COC(=O)C 527a_100150723488_100000183556 [0,1,0,0,0,0|2,0,0]=3 2654 B12R0.255 COCCCNC(=O)CSC(=O)C 1626a_100150723488_100000049016 [0,1,0,0,0,0|2,0,0]=3 2655 B12R0.255 COCCCNC(=O)CSC(=O)C 240690a_100150723488_100000049016 [0,1,0,0,0,0|2,0,0]=3 2656 B12R0.255 COCCCNC(=O)CSC(=O)N 240690a_100150723488_200015941356 [0,1,0,0,0,0|3,0,0]=4 2657 B12R0.255 COCCCNC(=O)NCC(=O)N 2708a_100150723488_100000711301 [0,1,0,0,0,0|3,0,0]=4 2658 B12R0.255 COCCCNC(=O)NCC(=O)N 273464a_100000711301_100150723488 [0,1,0,0,0,0|3,0,0]=4 2659 B12R0.255 COCCCNC(=O)NCC(=O)N 273464a_100150723488_100000711301 [0,1,0,0,0,0|3,0,0]=4 2660 B12R0.255 COCCCNC(=O)NNC(=O)C 273464a_100150723488_100000189765 [0,1,0,0,0,0|3,0,0]=4 2661 B12R0.255 COCCCNC(=O)NNC(=O)C 512a_100000189765_100150723488 [0,1,0,0,0,0|3,0,0]=4 2662 B12R0.255 COCCNNC(=O)CCC(=O)N 22a_100000741390_100011215257 [0,1,0,0,0,0|3,0,0]=4 2663 B12R0.255 COCCNNC(=O)CNC(=O)C 22a_100000741390_100000194580 [0,1,0,0,0,0|3,0,0]=4 2664 B12R0.255 COCCNNC(=O)COC(=O)C 22a_100000741390_100000183556 [0,1,0,0,0,0|3,0,0]=4 2665 B12R0.255 COCCOCC(=O)CC=C(C)C 1458a_100000211095_100000761012 [0,1,0,0,0,0|2,0,1]=4 2666 B12R0.255 COCCOCC(=O)CCC(C)C 1458a_100000211095_100000210312 [0,1,0,0,0,0|2,0,1]=4 2667 B12R0.255 COCCOCC(=O)CCC(C)O 1458a_100000211095_100012276601 [0,1,0,0,0,0|1,0,2]=4 2668 B12R0.255 COCCOCC(=O)COC(=O)C 34a_100000210237_100000036994 [0,1,0,0,0,0|2,0,0]=3 2669 B12R0.255 COCCOCC(=O)NCC(=O)N 11a_100000711301_100000211095 [0,1,0,0,0,0|3,0,0]=4 2670 B12R0.255 COCCOCC(=O)NCC(=O)N 240690a_100000711301_100000211095 [0,1,0,0,0,0|3,0,0]=4 2671 B12R0.255 COCCOCC(=O)NCC(=O)N 527a_100000711301_100000211095 [0,1,0,0,0,0|3,0,0]=4 2672 B12R0.255 COCCOCC(=O)NNC(=O)C 22a_100000189765_100000211095 [0,1,0,0,0,0|3,0,0]=4 2673 B12R0.255 COCCSCC(=O)COC(=O)C 62a_100000036994_100000233755 [0,1,0,0,0,0|2,1,0]=4 2674 B12R0.255 COCCSCC(=O)COC(=O)C 62a_100000233755_100000036994 [0,1,0,0,0,0|2,1,0]=4 2675 B12R0.255 CSCCCNC(=O)CC=C(C)C 11a_100000749238_100011220947 [0,1,0,0,0,0|2,0,1]=4 2676 B12R0.255 CSCCCNC(=O)CC=C(C)C 1626a_100000749238_100011220947 [0,1,0,0,0,0|2,0,1]=4 2677 B12R0.255 CSCCCNC(=O)CC=C(C)C 240690a_100000749238_100011220947 [0,1,0,0,0,0|2,0,1]=4 2678 B12R0.255 CSCCCNC(=O)CC=C(C)C 527a_100000749238_100011220947 [0,1,0,0,0,0|2,0,1]=4 2679 B12R0.255 CSCCCNC(=O)CCC(=O)N 240690a_100000749238_100011215257 [0,1,0,0,0,0|2,0,0]=3 2680 B12R0.255 CSCCCNC(=O)CCC(=O)N 527a_100000749238_100011215257 [0,1,0,0,0,0|2,0,0]=3 2681 B12R0.255 CSCCCNC(=O)CCC(C)C 11a_100000749238_100000181311 [0,1,0,0,0,0|2,0,1]=4 2682 B12R0.255 CSCCCNC(=O)CCC(C)C 1626a_100000749238_100000181311 [0,1,0,0,0,0|2,0,1]=4 2683 B12R0.255 CSCCCNC(=O)CCC(C)C 240690a_100000749238_100000181311 [0,1,0,0,0,0|2,0,1]=4 2684 B12R0.255 CSCCCNC(=O)CCC(C)C 527a_100000749238_100000181311 [0,1,0,0,0,0|2,0,1]=4 2685 B12R0.255 CSCCCNC(=O)CCC(C)O 1626a_100000749238_100000718519 [0,1,0,0,0,0|1,0,2]=4 2686 B12R0.255 CSCCCNC(=O)CCN(C)C 11a_100000749238_100000689311 [0,1,0,0,0,0|3,0,0]=4 2687 B12R0.255 CSCCCNC(=O)CCN(C)C 240690a_100000749238_100000689311 [0,1,0,0,0,0|3,0,0]=4 2688 B12R0.255 CSCCCNC(=O)CCN(C)C 527a_100000749238_100000689311 [0,1,0,0,0,0|3,0,0]=4 2689 B12R0.255 CSCCCNC(=O)CC[N+](=O)[O-] 11a_100000749238_200000064761 [0,1,0,0,0,0|3,0,0]=4 2690 B12R0.255 CSCCCNC(=O)CC[N+](=O)[O-] 1626a_100000749238_200000064761 [0,1,0,0,0,0|3,0,0]=4 2691 B12R0.255 CSCCCNC(=O)CC[N+](=O)[O-] 240690a_100000749238_200000064761 [0,1,0,0,0,0|3,0,0]=4 2692 B12R0.255 CSCCCNC(=O)CC[S+](C)C 11a_100000749238_100009452791 [0,1,0,0,0,0|3,0,0]=4 2693 B12R0.255 CSCCCNC(=O)CC[S+](C)C 1626a_100000749238_100009452791 [0,1,0,0,0,0|3,0,0]=4 2694 B12R0.255 CSCCCNC(=O)CC[S+](C)C 240690a_100000749238_100009452791 [0,1,0,0,0,0|3,0,0]=4 2695 B12R0.255 CSCCCNC(=O)CNC(=O)C 11a_100000749238_100000194580 [0,1,0,0,0,0|2,0,0]=3 2696 B12R0.255 CSCCCNC(=O)CNC(=O)C 1626a_100000749238_100000194580 [0,1,0,0,0,0|2,0,0]=3 2697 B12R0.255 CSCCCNC(=O)CNC(=O)C 240690a_100000749238_100000194580 [0,1,0,0,0,0|2,0,0]=3 2698 B12R0.255 CSCCCNC(=O)CNC(=O)C 527a_100000749238_100000194580 [0,1,0,0,0,0|2,0,0]=3 2699 B12R0.255 CSCCCNC(=O)CNC(=O)N 240690a_100000749238_100000184981 [0,1,0,0,0,0|3,0,0]=4 2700 B12R0.255 CSCCCNC(=O)CNC(=O)N 527a_100000749238_100000184981 [0,1,0,0,0,0|3,0,0]=4 2701 B12R0.255 CSCCCNC(=O)COC(=O)C 1626a_100000749238_100000183556 [0,1,0,0,0,0|2,0,0]=3 2702 B12R0.255 CSCCCNC(=O)COC(=O)C 240690a_100000749238_100000183556 [0,1,0,0,0,0|2,0,0]=3 2703 B12R0.255 CSCCCNC(=O)COC(=O)C 527a_100000749238_100000183556 [0,1,0,0,0,0|2,0,0]=3 2704 B12R0.255 CSCCCNC(=O)CSC(=O)C 11a_100000749238_100000049016 [0,1,0,0,0,0|2,0,0]=3 2705 B12R0.255 CSCCCNC(=O)CSC(=O)C 1626a_100000749238_100000049016 [0,1,0,0,0,0|2,0,0]=3 2706 B12R0.255 CSCCCNC(=O)CSC(=O)C 240690a_100000749238_100000049016 [0,1,0,0,0,0|2,0,0]=3 2707 B12R0.255 CSCCCNC(=O)CSC(=O)N 240690a_100000749238_200015941356 [0,1,0,0,0,0|3,0,0]=4 2708 B12R0.255 CSCCCNC(=O)NCC(=O)N 2708a_100000749238_100000711301 [0,1,0,0,0,0|3,0,0]=4 2709 B12R0.255 CSCCCNC(=O)NCC(=O)N 273464a_100000711301_100000749238 [0,1,0,0,0,0|3,0,0]=4 2710 B12R0.255 CSCCCNC(=O)NCC(=O)N 273464a_100000749238_100000711301 [0,1,0,0,0,0|3,0,0]=4 2711 B12R0.255 CSCCCNC(=O)NCC(=O)N 512a_100000749238_100000711301 [0,1,0,0,0,0|3,0,0]=4 2712 B12R0.255 CSCCCNC(=O)NNC(=O)C 273464a_100000749238_100000189765 [0,1,0,0,0,0|3,0,0]=4 2713 B12R0.255 CSCCCNC(=O)NNC(=O)C 512a_100000189765_100000749238 [0,1,0,0,0,0|3,0,0]=4 2714 B12R0.255 CSCCOCC(=O)COC(=O)C 34a_100000230434_100000036994 [0,1,0,0,0,0|2,0,0]=3 2715 B12R0.255 CSCCOCC(=O)NNC(=O)C 7a_100000230434_100000181415 [0,1,0,0,0,0|3,0,0]=4 2716 B12R0.255 CSCCSCC(=O)COC(=O)C 62a_100000036994_100000751147 [0,1,0,0,0,0|2,1,0]=4 2717 B12R0.255 CSCCSCC(=O)COC(=O)C 62a_100000212216_100000036994 [0,1,0,0,0,0|2,1,0]=4 2718 B12R0.255 C[S+](C)CCC(=O)CCCCCF 1458a_100009452791_100000729378 [0,1,0,0,0,0|3,0,0]=4 2719 B12R0.255 C[S+](C)CCC(=O)CCCCCO 1458a_100009452791_100000746330 [0,1,0,0,0,0|3,0,0]=4 2720 B12R0.255 C[S+](C)CCC(=O)NCCCCO 240690a_100000750430_100009452791 [0,1,0,0,0,0|3,0,0]=4 2721 B12R0.255 N#CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000211819 [0,1,0,0,0,0|2,0,1]=4 2722 B12R0.255 NC(=O)CCC(=O)CCCCCF 1458a_100011215257_100000729378 [0,1,0,0,0,0|2,0,0]=3 2723 B12R0.255 NC(=O)CCC(=O)CCCCCO 1458a_100011215257_100000746330 [0,1,0,0,0,0|2,0,0]=3 2724 B12R0.255 NC(=O)CCC(=O)CCOCCO 1458a_100011215257_100011215305 [0,1,0,0,0,0|3,0,0]=4 2725 B12R0.255 NC(=O)CCC(=O)NCCCCO 240690a_100000750430_100011215257 [0,1,0,0,0,0|2,0,0]=3 2726 B12R0.255 NC(=O)CCC(=O)NCCCCO 527a_100000750430_100011215257 [0,1,0,0,0,0|2,0,0]=3 2727 B12R0.255 NC(=O)CNC(=O)CCCCCO 240690a_100000711301_100102619762 [0,1,0,0,0,0|3,0,0]=4 2728 B12R0.255 NC(=O)CNC(=O)NCCCCO 2708a_100000750430_100000711301 [0,1,0,0,0,0|3,0,0]=4 2729 B12R0.255 NC(=O)CNC(=O)NCCCCO 273464a_100000711301_100000750430 [0,1,0,0,0,0|3,0,0]=4 2730 B12R0.255 NC(=O)CNC(=O)NCCCCO 273464a_100000750430_100000711301 [0,1,0,0,0,0|3,0,0]=4 2731 B12R0.255 NC(=O)CNC(=O)NCCCCO 512a_100000750430_100000711301 [0,1,0,0,0,0|3,0,0]=4 2732 B12R0.255 NC(=O)NCC(=O)CCCCCF 1458a_100000184981_100000729378 [0,1,0,0,0,0|3,0,0]=4 2733 B12R0.255 NC(=O)NCC(=O)CCCCCO 1458a_100000184981_100000746330 [0,1,0,0,0,0|3,0,0]=4 2734 B12R0.255 NC(=O)NCC(=O)NCCCCO 240690a_100000750430_100000184981 [0,1,0,0,0,0|3,0,0]=4 2735 B12R0.255 NC(=O)NCC(=O)NCCCCO 527a_100000750430_100000184981 [0,1,0,0,0,0|3,0,0]=4 2736 B12R0.255 NC(=O)SCC(=O)NCCCCO 240690a_100000750430_200015941356 [0,1,0,0,0,0|3,0,0]=4 2737 B12R0.255 O=C(CCCCCF)CC[N+](=O)[O-] 1458a_200000064761_100000729378 [0,1,0,0,0,0|3,0,0]=4 2738 B12R0.255 O=C(CCCCCO)CC[N+](=O)[O-] 1458a_200000064761_100000746330 [0,1,0,0,0,0|3,0,0]=4 2739 B12R0.255 O=C(CC[N+](=O)[O-])NCCCCO 240690a_100000750430_200000064761 [0,1,0,0,0,0|3,0,0]=4 2740 B12R0.255 [13CH3]C(=O)CCC(=O)OCCCCO 1458a_200009914559_200025704644 [0,1,0,0,0,0|0,0,0]=1 2741 B12R0.283 C=C(C)CCC(=O)C=C(C)CCC 1458a_100020676950_100000730704 [0,1,0,0,0,0|2,0,1]=4 2742 B12R0.283 C=C(C)CCC(=O)CC(=C)CCC 1458a_100000138376_100000730704 [0,1,0,0,0,0|2,0,1]=4 2743 B12R0.283 C=C(C)CCC(=O)CC(=O)CCC 1458a_200000688413_100000747444 [0,1,0,0,0,0|2,0,1]=4 2744 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_100000748435_100000730704 [0,1,0,0,0,0|2,0,0]=3 2745 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_200000688413_100011216630 [0,1,0,0,0,0|2,0,0]=3 2746 B12R0.283 C=C(C)CCC(=O)CC(C)SCC 1458a_200011311441_100000730704 [0,1,0,0,0,0|3,0,0]=4 2747 B12R0.283 C=C(C)CCC(=O)CS(=O)CCC 1458a_100011387404_100000730704 [0,1,0,0,0,0|3,0,0]=4 2748 B12R0.283 C=C(C)CCC(=O)NC(C)CCC 11a_100000741246_200000688413 [0,1,0,0,0,0|2,0,0]=3 2749 B12R0.283 C=C(C)CCC(=O)NC(C)CCC 1626a_100000741246_200000688413 [0,1,0,0,0,0|2,0,0]=3 2750 B12R0.283 C=C(C)CCC(=O)NC(C)CCC 240690a_100000741246_200000688413 [0,1,0,0,0,0|2,0,0]=3 2751 B12R0.283 C=C(C)CCC(=O)NC(C)CCC 527a_100000741246_200000688413 [0,1,0,0,0,0|2,0,0]=3 2752 B12R0.283 C=C(C)CCC(=O)N[C@H](C)CCO 240690a_100000706166_200000688413 [0,1,0,0,0,0|3,0,0]=4 2753 B12R0.283 C=C(C)CCC(=O)N[C@H](C)CCO 527a_100000706166_200000688413 [0,1,0,0,0,0|3,0,0]=4 2754 B12R0.283 C=C(C)CCC(=O)N[C@H](C)COC 11a_100000764878_200000688413 [0,1,0,0,0,0|3,0,0]=4 2755 B12R0.283 C=C(C)CCC(=O)N[C@H](C)COC 1626a_100000764878_200000688413 [0,1,0,0,0,0|3,0,0]=4 2756 B12R0.283 C=C(C)CCC(=O)N[C@H](C)COC 240690a_100000764878_200000688413 [0,1,0,0,0,0|3,0,0]=4 2757 B12R0.283 C=C(C)CCC(=O)N[C@H](C)COC 527a_100000764878_200000688413 [0,1,0,0,0,0|3,0,0]=4 2758 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 11a_100000765925_100000748435 [0,1,0,0,0,0|3,0,0]=4 2759 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 1626a_100000765925_100000748435 [0,1,0,0,0,0|3,0,0]=4 2760 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 240690a_100000765925_100000748435 [0,1,0,0,0,0|3,0,0]=4 2761 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 527a_100000765925_100000748435 [0,1,0,0,0,0|3,0,0]=4 2762 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 2708a_100000741246_100000765925 [0,1,0,0,0,0|3,0,0]=4 2763 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 2708a_100000765925_100000741246 [0,1,0,0,0,0|3,0,0]=4 2764 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 273464a_100000741246_100000765925 [0,1,0,0,0,0|3,0,0]=4 2765 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 512a_100000741246_100000765925 [0,1,0,0,0,0|3,0,0]=4 2766 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 512a_100000765925_100000741246 [0,1,0,0,0,0|3,0,0]=4 2767 B12R0.283 CC(=O)NCC(=O)N[C@H](C)CCO 240690a_100000706166_100000194580 [0,1,0,0,0,0|3,0,0]=4 2768 B12R0.283 CC(=O)NCC(=O)N[C@H](C)CCO 527a_100000706166_100000194580 [0,1,0,0,0,0|3,0,0]=4 2769 B12R0.283 CC(=O)OCC(=O)N[C@H](C)CCO 240690a_100000706166_100000183556 [0,1,0,0,0,0|3,0,0]=4 2770 B12R0.283 CC(=O)OCC(=O)N[C@H](C)CCO 527a_100000706166_100000183556 [0,1,0,0,0,0|3,0,0]=4 2771 B12R0.283 CC(=O)SCC(=O)N[C@H](C)CCO 240690a_100000706166_100000049016 [0,1,0,0,0,0|3,0,0]=4 2772 B12R0.283 CCCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747444 [0,1,0,0,0,0|2,0,1]=4 2773 B12R0.283 CCCC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747444 [0,1,0,0,0,0|2,0,1]=4 2774 B12R0.283 CCCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747444 [0,1,0,0,0,0|2,0,1]=4 2775 B12R0.283 CCCC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747444 [0,1,0,0,0,0|2,0,1]=4 2776 B12R0.283 CCCC(C)CC(=O)CC=C(C)C 1458a_100000748435_100000761012 [0,1,0,0,0,0|2,0,1]=4 2777 B12R0.283 CCCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100011216630 [0,1,0,0,0,0|2,0,1]=4 2778 B12R0.283 CCCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100011216630 [0,1,0,0,0,0|2,0,0]=3 2779 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000181311_100011216630 [0,1,0,0,0,0|2,0,1]=4 2780 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000748435_100000210312 [0,1,0,0,0,0|2,0,1]=4 2781 B12R0.283 CCCC(C)CC(=O)CCC(C)O 1458a_100000748435_100012276601 [0,1,0,0,0,0|1,0,2]=4 2782 B12R0.283 CCCC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011216630 [0,1,0,0,0,0|3,0,0]=4 2783 B12R0.283 CCCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100011216630 [0,1,0,0,0,0|3,0,0]=4 2784 B12R0.283 CCCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100011216630 [0,1,0,0,0,0|2,0,0]=3 2785 B12R0.283 CCCC(C)CC(=O)CNC(=O)N 1458a_100000184981_100011216630 [0,1,0,0,0,0|3,0,0]=4 2786 B12R0.283 CCCC(C)CC(=O)COC(=O)C 1458a_100000183556_100011216630 [0,1,0,0,0,0|2,0,0]=3 2787 B12R0.283 CCCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100011216630 [0,1,0,0,0,0|2,0,0]=3 2788 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 11a_100000711301_100000748435 [0,1,0,0,0,0|3,0,0]=4 2789 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000748435 [0,1,0,0,0,0|3,0,0]=4 2790 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 527a_100000711301_100000748435 [0,1,0,0,0,0|3,0,0]=4 2791 B12R0.283 CCCC(C)CC(=O)NNC(=O)C 22a_100000189765_100000748435 [0,1,0,0,0,0|3,0,0]=4 2792 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 11a_100000741246_100011220947 [0,1,0,0,0,0|2,0,1]=4 2793 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 1626a_100000741246_100011220947 [0,1,0,0,0,0|2,0,1]=4 2794 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 240690a_100000741246_100011220947 [0,1,0,0,0,0|2,0,1]=4 2795 B12R0.283 CCCC(C)NC(=O)CC=C(C)C 527a_100000741246_100011220947 [0,1,0,0,0,0|2,0,1]=4 2796 B12R0.283 CCCC(C)NC(=O)CCC(=O)N 240690a_100000741246_100011215257 [0,1,0,0,0,0|2,0,0]=3 2797 B12R0.283 CCCC(C)NC(=O)CCC(=O)N 527a_100000741246_100011215257 [0,1,0,0,0,0|2,0,0]=3 2798 B12R0.283 CCCC(C)NC(=O)CCC(C)C 11a_100000741246_100000181311 [0,1,0,0,0,0|2,0,1]=4 2799 B12R0.283 CCCC(C)NC(=O)CCC(C)C 1626a_100000741246_100000181311 [0,1,0,0,0,0|2,0,1]=4 2800 B12R0.283 CCCC(C)NC(=O)CCC(C)C 240690a_100000741246_100000181311 [0,1,0,0,0,0|2,0,1]=4 2801 B12R0.283 CCCC(C)NC(=O)CCC(C)C 527a_100000741246_100000181311 [0,1,0,0,0,0|2,0,1]=4 2802 B12R0.283 CCCC(C)NC(=O)CCC(C)O 1626a_100000741246_100000718519 [0,1,0,0,0,0|1,0,2]=4 2803 B12R0.283 CCCC(C)NC(=O)CCN(C)C 11a_100000741246_100000689311 [0,1,0,0,0,0|3,0,0]=4 2804 B12R0.283 CCCC(C)NC(=O)CCN(C)C 240690a_100000741246_100000689311 [0,1,0,0,0,0|3,0,0]=4 2805 B12R0.283 CCCC(C)NC(=O)CCN(C)C 527a_100000741246_100000689311 [0,1,0,0,0,0|3,0,0]=4 2806 B12R0.283 CCCC(C)NC(=O)CC[N+](=O)[O-] 11a_100000741246_200000064761 [0,1,0,0,0,0|3,0,0]=4 2807 B12R0.283 CCCC(C)NC(=O)CC[N+](=O)[O-] 1626a_100000741246_200000064761 [0,1,0,0,0,0|3,0,0]=4 2808 B12R0.283 CCCC(C)NC(=O)CC[N+](=O)[O-] 240690a_100000741246_200000064761 [0,1,0,0,0,0|3,0,0]=4 2809 B12R0.283 CCCC(C)NC(=O)CC[S+](C)C 11a_100000741246_100009452791 [0,1,0,0,0,0|3,0,0]=4 2810 B12R0.283 CCCC(C)NC(=O)CC[S+](C)C 1626a_100000741246_100009452791 [0,1,0,0,0,0|3,0,0]=4 2811 B12R0.283 CCCC(C)NC(=O)CC[S+](C)C 240690a_100000741246_100009452791 [0,1,0,0,0,0|3,0,0]=4 2812 B12R0.283 CCCC(C)NC(=O)CNC(=O)C 11a_100000741246_100000194580 [0,1,0,0,0,0|2,0,0]=3 2813 B12R0.283 CCCC(C)NC(=O)CNC(=O)C 1626a_100000741246_100000194580 [0,1,0,0,0,0|2,0,0]=3 2814 B12R0.283 CCCC(C)NC(=O)CNC(=O)C 240690a_100000741246_100000194580 [0,1,0,0,0,0|2,0,0]=3 2815 B12R0.283 CCCC(C)NC(=O)CNC(=O)C 527a_100000741246_100000194580 [0,1,0,0,0,0|2,0,0]=3 2816 B12R0.283 CCCC(C)NC(=O)CNC(=O)N 240690a_100000741246_100000184981 [0,1,0,0,0,0|3,0,0]=4 2817 B12R0.283 CCCC(C)NC(=O)CNC(=O)N 527a_100000741246_100000184981 [0,1,0,0,0,0|3,0,0]=4 2818 B12R0.283 CCCC(C)NC(=O)COC(=O)C 1626a_100000741246_100000183556 [0,1,0,0,0,0|2,0,0]=3 2819 B12R0.283 CCCC(C)NC(=O)COC(=O)C 240690a_100000741246_100000183556 [0,1,0,0,0,0|2,0,0]=3 2820 B12R0.283 CCCC(C)NC(=O)COC(=O)C 527a_100000741246_100000183556 [0,1,0,0,0,0|2,0,0]=3 2821 B12R0.283 CCCC(C)NC(=O)CSC(=O)C 11a_100000741246_100000049016 [0,1,0,0,0,0|2,0,0]=3 2822 B12R0.283 CCCC(C)NC(=O)CSC(=O)C 1626a_100000741246_100000049016 [0,1,0,0,0,0|2,0,0]=3 2823 B12R0.283 CCCC(C)NC(=O)CSC(=O)C 240690a_100000741246_100000049016 [0,1,0,0,0,0|2,0,0]=3 2824 B12R0.283 CCCC(C)NC(=O)CSC(=O)N 240690a_100000741246_200015941356 [0,1,0,0,0,0|3,0,0]=4 2825 B12R0.283 CCCC(C)NC(=O)NCC(=O)N 2708a_100000741246_100000711301 [0,1,0,0,0,0|3,0,0]=4 2826 B12R0.283 CCCC(C)NC(=O)NCC(=O)N 273464a_100000741246_100000711301 [0,1,0,0,0,0|3,0,0]=4 2827 B12R0.283 CCCC(C)NC(=O)NCC(=O)N 512a_100000741246_100000711301 [0,1,0,0,0,0|3,0,0]=4 2828 B12R0.283 CCCC(C)NC(=O)NNC(=O)C 273464a_100000741246_100000189765 [0,1,0,0,0,0|3,0,0]=4 2829 B12R0.283 CCCC(C)NC(=O)NNC(=O)C 512a_100000189765_100000741246 [0,1,0,0,0,0|3,0,0]=4 2830 B12R0.283 CCCN(C)CC(=O)COC(=O)C 269982a_100000747261_100000036994 [0,1,0,0,0,0|3,0,0]=4 2831 B12R0.283 COC[C@@H](C)NC(=O)CCC(=O)N 240690a_100000764878_100011215257 [0,1,0,0,0,0|3,0,0]=4 2832 B12R0.283 COC[C@@H](C)NC(=O)CCC(=O)N 527a_100000764878_100011215257 [0,1,0,0,0,0|3,0,0]=4 2833 B12R0.283 COC[C@@H](C)NC(=O)CNC(=O)C 11a_100000764878_100000194580 [0,1,0,0,0,0|3,0,0]=4 2834 B12R0.283 COC[C@@H](C)NC(=O)CNC(=O)C 1626a_100000764878_100000194580 [0,1,0,0,0,0|3,0,0]=4 2835 B12R0.283 COC[C@@H](C)NC(=O)CNC(=O)C 240690a_100000764878_100000194580 [0,1,0,0,0,0|3,0,0]=4 2836 B12R0.283 COC[C@@H](C)NC(=O)CNC(=O)C 527a_100000764878_100000194580 [0,1,0,0,0,0|3,0,0]=4 2837 B12R0.283 COC[C@@H](C)NC(=O)COC(=O)C 1626a_100000764878_100000183556 [0,1,0,0,0,0|3,0,0]=4 2838 B12R0.283 COC[C@@H](C)NC(=O)COC(=O)C 240690a_100000764878_100000183556 [0,1,0,0,0,0|3,0,0]=4 2839 B12R0.283 COC[C@@H](C)NC(=O)COC(=O)C 527a_100000764878_100000183556 [0,1,0,0,0,0|3,0,0]=4 2840 B12R0.283 COC[C@@H](C)NC(=O)CSC(=O)C 11a_100000764878_100000049016 [0,1,0,0,0,0|3,0,0]=4 2841 B12R0.283 COC[C@@H](C)NC(=O)CSC(=O)C 1626a_100000764878_100000049016 [0,1,0,0,0,0|3,0,0]=4 2842 B12R0.283 COC[C@@H](C)NC(=O)CSC(=O)C 240690a_100000764878_100000049016 [0,1,0,0,0,0|3,0,0]=4 2843 B12R0.283 C[C@H](CCO)NC(=O)CCC(=O)N 240690a_100000706166_100011215257 [0,1,0,0,0,0|3,0,0]=4 2844 B12R0.283 C[C@H](CCO)NC(=O)CCC(=O)N 527a_100000706166_100011215257 [0,1,0,0,0,0|3,0,0]=4 2845 B12R0.649 CCCC#CC(=O)CCS(=O)(=O)C 1458a_200011218047_100000731031 [0,1,0,0,0,0|2,0,1]=4 2846 B12R0.649 CCCC=CC(=O)CCS(=O)(=O)C 1458a_100000212230_100000731031 [0,1,0,0,0,0|2,0,1]=4 2847 B12R0.649 CCCCCC(=O)CCC(C)(C)C 1458a_100000212188_100000755188 [0,1,0,0,0,0|2,0,1]=4 2848 B12R0.649 CCCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210326 [0,1,0,0,0,0|2,0,1]=4 2849 B12R0.649 CCCCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210326 [0,1,0,0,0,0|2,0,1]=4 2850 B12R0.649 CCCCCC(=O)CCS(=O)(=O)C 1458a_100000212188_100000731031 [0,1,0,0,0,0|2,0,0]=3 2851 B12R0.649 CCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210326 [0,1,0,0,0,0|2,0,0]=3 2852 B12R0.649 CCCCCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210326 [0,1,0,0,0,0|3,0,0]=4 2853 B12R0.649 CCCCCC(=O)CCS(=O)(=O)[O-] 1458a_100000212188_100000762736 [0,1,0,0,0,0|3,0,0]=4 2854 B12R0.649 CCCCCC(=O)CC[N+](C)(C)C 1458a_100000212188_100000085578 [0,1,0,0,0,0|3,0,0]=4 2855 B12R0.649 CCCCCC(=O)CC[Si](C)(C)C 1458a_100000212188_200000733723 [0,1,0,0,0,0|2,1,0]=4 2856 B12R0.649 CCCCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210326 [0,1,0,0,0,0|2,1,0]=4 2857 B12R0.649 CCCCCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210326 [0,1,0,0,0,0|3,0,0]=4 2858 B12R0.649 CCCCNC(=O)CCC(C)(C)C 11a_100000102301_100000757465 [0,1,0,0,0,0|2,0,1]=4 2859 B12R0.649 CCCCNC(=O)CCC(C)(C)C 1626a_100000102301_100000757465 [0,1,0,0,0,0|2,0,1]=4 2860 B12R0.649 CCCCNC(=O)CCC(C)(C)C 240690a_100000102301_100000757465 [0,1,0,0,0,0|2,0,1]=4 2861 B12R0.649 CCCCNC(=O)CCC(C)(C)C 527a_100000102301_100000757465 [0,1,0,0,0,0|2,0,1]=4 2862 B12R0.649 CCCCNC(=O)CCC(C)(F)F 11a_100000102301_100000030992 [0,1,0,0,0,0|2,0,1]=4 2863 B12R0.649 CCCCNC(=O)CCC(C)(F)F 1626a_100000102301_100000030992 [0,1,0,0,0,0|2,0,1]=4 2864 B12R0.649 CCCCNC(=O)CCC(C)(F)F 240690a_100000102301_100000030992 [0,1,0,0,0,0|2,0,1]=4 2865 B12R0.649 CCCCNC(=O)CCC(C)(F)F 527a_100000102301_100000030992 [0,1,0,0,0,0|2,0,1]=4 2866 B12R0.649 CCCCNC(=O)CCS(=O)(=O)C 11a_100000102301_100000737124 [0,1,0,0,0,0|2,0,0]=3 2867 B12R0.649 CCCCNC(=O)CCS(=O)(=O)C 1626a_100000102301_100000737124 [0,1,0,0,0,0|2,0,0]=3 2868 B12R0.649 CCCCNC(=O)CCS(=O)(=O)C 240690a_100000102301_100000737124 [0,1,0,0,0,0|2,0,0]=3 2869 B12R0.649 CCCCNC(=O)CCS(=O)(=O)C 527a_100000102301_100000737124 [0,1,0,0,0,0|2,0,0]=3 2870 B12R0.649 CCCCNC(=O)CCS(=O)(=O)N 240690a_100000102301_100000737202 [0,1,0,0,0,0|3,0,0]=4 2871 B12R0.649 CCCCNC(=O)CC[Si](C)(C)C 1626a_100000102301_100011215282 [0,1,0,0,0,0|2,1,0]=4 2872 B12R0.649 CCCCNC(=O)CC[Si](C)(C)C 240690a_100000102301_100011215282 [0,1,0,0,0,0|2,1,0]=4 2873 B12R0.649 CCCCNC(=O)CC[Si](C)(C)C 527a_100000102301_100011215282 [0,1,0,0,0,0|2,1,0]=4 2874 B12R0.649 CCCCNC(=O)CNS(=O)(=O)C 11a_100000102301_100000737300 [0,1,0,0,0,0|3,0,0]=4 2875 B12R0.649 CCCCNC(=O)CNS(=O)(=O)C 1626a_100000102301_100000737300 [0,1,0,0,0,0|3,0,0]=4 2876 B12R0.649 CCCCNC(=O)CNS(=O)(=O)C 240690a_100000102301_100000737300 [0,1,0,0,0,0|3,0,0]=4 2877 B12R0.649 CCCCOC(=O)CNC(C)(C)C 2230a_100000715429_100000211628 [0,1,0,0,0,0|2,0,1]=4 2878 B12R0.649 CCCCOC(=O)COC(C)(C)C 34a_100015890283_100000211628 [0,1,0,0,0,0|2,0,1]=4 2879 B12R0.649 CCCCOC(=O)COC(C)(C)C 7a_100015890283_100000211628 [0,1,0,0,0,0|2,0,1]=4 2880 B12R0.649 CCCCOC(=O)CSC(C)(C)C 62a_100000211628_100000211941 [0,1,0,0,0,0|2,0,1]=4 2881 B12R0.649 CCCCOC(=O)CSC(C)(C)C 62a_100000211941_100000211628 [0,1,0,0,0,0|2,0,1]=4 2882 B12R0.649 CCCNNC(=O)CCS(=O)(=O)C 22a_100000740057_100000737124 [0,1,0,0,0,0|3,0,0]=4 2883 B12R0.649 CCCOCC(=O)CCS(=O)(=O)C 1458a_100000745993_100000731031 [0,1,0,0,0,0|3,0,0]=4 2884 B12R0.649 CCCOCC(=O)CCS(=O)(=O)C 34a_100000210258_100103131435 [0,1,0,0,0,0|3,0,0]=4 2885 B12R0.649 CCCSCC(=O)CCS(=O)(=O)C 1458a_100000217233_100000731031 [0,1,0,0,0,0|3,0,0]=4 2886 B12R0.649 CCCSCC(=O)CCS(=O)(=O)C 62a_100000210303_100103131435 [0,1,0,0,0,0|3,0,0]=4 2887 B12R0.649 CCCSCC(=O)CCS(=O)(=O)C 62a_100103131435_100000210303 [0,1,0,0,0,0|3,0,0]=4 2888 B12R0.649 CCOCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100011215890 [0,1,0,0,0,0|3,0,0]=4 2889 B12R0.649 CCOCCC(=O)CCS(=O)(=O)C 1458a_100000749530_100000731031 [0,1,0,0,0,0|3,0,0]=4 2890 B12R0.649 CCSCCC(=O)CCS(=O)(=O)C 1458a_100000230768_100000731031 [0,1,0,0,0,0|3,0,0]=4 2891 B12R0.649 CCSCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000757381 [0,1,0,0,0,0|3,0,0]=4 2892 B12R0.649 COCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000740836 [0,1,0,0,0,0|3,0,0]=4 2893 B12R0.649 COCCCC(=O)CCS(=O)(=O)C 1458a_100000741012_100000731031 [0,1,0,0,0,0|3,0,0]=4 2894 B12R0.649 COCCNC(=O)CCS(=O)(=O)C 1626a_100000209980_100000737124 [0,1,0,0,0,0|3,0,0]=4 2895 B12R0.649 COCCNC(=O)CCS(=O)(=O)C 240690a_100000209980_100000737124 [0,1,0,0,0,0|3,0,0]=4 2896 B12R0.649 COCCNC(=O)CCS(=O)(=O)C 527a_100000209980_100000737124 [0,1,0,0,0,0|3,0,0]=4 2897 B12R0.649 CS(=O)(=O)CCC(=O)CCCCF 1458a_100000737124_100000729493 [0,1,0,0,0,0|3,0,0]=4 2898 B12R0.649 CS(=O)(=O)CCC(=O)CCCCO 1458a_100000695505_100000731031 [0,1,0,0,0,0|3,0,0]=4 2899 B12R0.649 CS(=O)(=O)CCC(=O)CCCCO 1458a_100000737124_100000210776 [0,1,0,0,0,0|3,0,0]=4 2900 B12R0.649 CS(=O)(=O)CCC(=O)NCCCF 11a_100015189416_100000737124 [0,1,0,0,0,0|3,0,0]=4 2901 B12R0.649 CS(=O)(=O)CCC(=O)NCCCF 1626a_100015189416_100000737124 [0,1,0,0,0,0|3,0,0]=4 2902 B12R0.649 CS(=O)(=O)CCC(=O)NCCCF 240690a_100015189416_100000737124 [0,1,0,0,0,0|3,0,0]=4 2903 B12R0.649 CS(=O)(=O)CCC(=O)NCCCF 527a_100015189416_100000737124 [0,1,0,0,0,0|3,0,0]=4 2904 B12R0.649 CS(=O)(=O)CCC(=O)NCCCO 240690a_100000182051_100000737124 [0,1,0,0,0,0|3,0,0]=4 2905 B12R0.649 CS(=O)(=O)CCC(=O)NCCCO 527a_100000182051_100000737124 [0,1,0,0,0,0|3,0,0]=4 2906 B12R0.649 CSCCCC(=O)CCS(=O)(=O)C 1458a_100000173376_100000731031 [0,1,0,0,0,0|3,0,0]=4 2907 B12R0.649 CSCCNC(=O)CCS(=O)(=O)C 11a_100020590264_100000737124 [0,1,0,0,0,0|3,0,0]=4 2908 B12R0.649 CSCCNC(=O)CCS(=O)(=O)C 1626a_100020590264_100000737124 [0,1,0,0,0,0|3,0,0]=4 2909 B12R0.649 CSCCNC(=O)CCS(=O)(=O)C 240690a_100020590264_100000737124 [0,1,0,0,0,0|3,0,0]=4 2910 B12R0.649 CSCCNC(=O)CCS(=O)(=O)C 527a_100020590264_100000737124 [0,1,0,0,0,0|3,0,0]=4 2911 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,0,0,1,0,0|1,0,1]=3 2912 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,0,0,1,0,0|1,0,1]=3 2913 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,0,0,1,0,0|2,0,1]=4 2914 B12R1.1 COCCOC1CCC(=O)CC1 34a_100000764474_100011201679 [0,0,0,1,0,0|2,0,1]=4 2915 B12R1.1 COCCOC1CCC(=O)CC1 7a_100000764474_100000233755 [0,0,0,1,0,0|2,0,1]=4 2916 B12R1.1 CSCCOC1CCC(=O)CC1 34a_100000764474_100000212216 [0,0,0,1,0,0|2,0,1]=4 2917 B12R1.1 CSCCOC1CCC(=O)CC1 7a_100000764474_100000212216 [0,0,0,1,0,0|2,0,1]=4 2918 B12R1.1 O=C1CCC(CC1)OCCCF 34a_100000764474_100011934791 [0,0,0,1,0,0|2,0,1]=4 2919 B12R1.1 O=C1CCC(CC1)OCCCF 7a_100000764474_100011934791 [0,0,0,1,0,0|2,0,1]=4 2920 B12R1.1 O=C1CCC(CC1)OCCCO 34a_100000764474_100000230001 [0,0,0,1,0,0|2,0,1]=4 2921 B12R1.1 O=C1CCC(CC1)OCCCO 7a_100000764474_100011215043 [0,0,0,1,0,0|2,0,1]=4 2922 B12R1.54 C=C(C)CCC(=O)C1=CCCC1 1458a_100000038896_100000730704 [0,0,0,1,0,0|2,0,1]=4 2923 B12R1.54 C=C(C)CCC(=O)C1CCCC1 1458a_100000210718_100000730704 [0,0,0,1,0,0|2,0,0]=3 2924 B12R1.54 C=C(C)CCC(=O)C1CCCC1 1458a_200000688413_100000179811 [0,0,0,1,0,0|2,0,0]=3 2925 B12R1.54 C=C(C)CCC(=O)C1CCCS1 1458a_100012002731_100000730704 [0,0,0,1,0,0|3,0,0]=4 2926 B12R1.54 C=C(C)CCC(=O)C1CCOC1 1458a_100011219752_100000730704 [0,0,0,1,0,0|3,0,0]=4 2927 B12R1.54 C=C(C)CCC(=O)C1CCOC1 1458a_200000688413_100000690089 [0,0,0,1,0,0|3,0,0]=4 2928 B12R1.54 C=C(C)CCC(=O)N1CCCC1 240690a_100000188435_200000688413 [0,0,0,1,0,0|2,0,0]=3 2929 B12R1.54 C=C(C)CCC(=O)N1CCCC1 527a_100000188435_200000688413 [0,0,0,1,0,0|2,0,0]=3 2930 B12R1.54 C=C(C)CCC(=O)N1CCSC1 11a_100011215254_200000688413 [0,0,0,1,0,0|3,0,0]=4 2931 B12R1.54 C=C(C)CCC(=O)N1CCSC1 240690a_100011215254_200000688413 [0,0,0,1,0,0|3,0,0]=4 2932 B12R1.54 C=C(C)CCC(=O)N1CCSC1 527a_100011215254_200000688413 [0,0,0,1,0,0|3,0,0]=4 2933 B12R1.54 C=C(C)CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000730704 [0,0,0,1,0,0|3,0,0]=4 2934 B12R1.54 C=C(C)CNC(=O)C1CCCC1 11a_100000765925_100000210718 [0,0,0,1,0,0|3,0,0]=4 2935 B12R1.54 C=C(C)CNC(=O)C1CCCC1 1626a_100000765925_100000210718 [0,0,0,1,0,0|3,0,0]=4 2936 B12R1.54 C=C(C)CNC(=O)C1CCCC1 240690a_100000765925_100000210718 [0,0,0,1,0,0|3,0,0]=4 2937 B12R1.54 C=C(C)CNC(=O)C1CCCC1 527a_100000765925_100000210718 [0,0,0,1,0,0|3,0,0]=4 2938 B12R1.54 C=C(C)CNC(=O)N1CCCC1 2708a_100000765925_100000188435 [0,0,0,1,0,0|3,0,0]=4 2939 B12R1.54 C=C(C)CNC(=O)N1CCCC1 273464a_100000765925_100000188435 [0,0,0,1,0,0|3,0,0]=4 2940 B12R1.54 CC(=CCC(=O)C1CCCC1)C 1458a_100000210718_100000761012 [0,0,0,1,0,0|2,0,1]=4 2941 B12R1.54 CC(=CCC(=O)C1CCCC1)C 1458a_100011220947_100000179811 [0,0,0,1,0,0|2,0,1]=4 2942 B12R1.54 CC(=CCC(=O)N1CCCC1)C 240690a_100000188435_100011220947 [0,0,0,1,0,0|2,0,1]=4 2943 B12R1.54 CC(=CCC(=O)N1CCCC1)C 527a_100000188435_100011220947 [0,0,0,1,0,0|2,0,1]=4 2944 B12R1.54 CC(=O)CCC(=O)N1CCCC1 1458a_100000070787_100011194422 [0,0,0,1,0,0|1,0,0]=2 2945 B12R1.54 CC(=O)CCC(=O)N1CCCC1 1458a_200000187315_200000210301 [0,0,0,1,0,0|1,0,0]=2 2946 B12R1.54 CC(=O)CCN(C)C1CCCC1 269982a_100000207505_100000053229 [0,0,0,1,0,0|3,0,0]=4 2947 B12R1.54 CC(=O)CSC(=S)N1CCCC1 1458a_100000008031_200000210301 [0,0,0,1,0,0|2,1,0]=4 2948 B12R1.54 CC(=O)NCC(=O)C1CCCC1 1458a_100000194580_100000179811 [0,0,0,1,0,0|2,0,0]=3 2949 B12R1.54 CC(=O)NCC(=O)C1CCOC1 1458a_100000194580_100000690089 [0,0,0,1,0,0|3,0,0]=4 2950 B12R1.54 CC(=O)NCC(=O)N1CCCC1 11a_100000751844_100015343762 [0,0,0,1,0,0|2,0,0]=3 2951 B12R1.54 CC(=O)NCC(=O)N1CCCC1 1626a_100000751844_100015343762 [0,0,0,1,0,0|2,0,0]=3 2952 B12R1.54 CC(=O)NCC(=O)N1CCCC1 240690a_100000188435_100000194580 [0,0,0,1,0,0|2,0,0]=3 2953 B12R1.54 CC(=O)NCC(=O)N1CCCC1 240690a_100000751844_100015343762 [0,0,0,1,0,0|2,0,0]=3 2954 B12R1.54 CC(=O)NCC(=O)N1CCCC1 527a_100000188435_100000194580 [0,0,0,1,0,0|2,0,0]=3 2955 B12R1.54 CC(=O)NCC(=O)N1CCCC1 527a_100000751844_100103153847 [0,0,0,1,0,0|2,0,0]=3 2956 B12R1.54 CC(=O)NCC(=O)N1CCSC1 11a_100011215254_100000194580 [0,0,0,1,0,0|3,0,0]=4 2957 B12R1.54 CC(=O)NCC(=O)N1CCSC1 240690a_100011215254_100000194580 [0,0,0,1,0,0|3,0,0]=4 2958 B12R1.54 CC(=O)NCC(=O)N1CCSC1 527a_100011215254_100000194580 [0,0,0,1,0,0|3,0,0]=4 2959 B12R1.54 CC(=O)NNC(=O)C1CCCC1 22a_100000189765_100000210718 [0,0,0,1,0,0|3,0,0]=4 2960 B12R1.54 CC(=O)NNC(=O)C1CCCC1 22a_100000189808_100000070787 [0,0,0,1,0,0|3,0,0]=4 2961 B12R1.54 CC(=O)OCC(=O)C1CCCC1 1458a_100000183556_100000179811 [0,0,0,1,0,0|2,0,0]=3 2962 B12R1.54 CC(=O)OCC(=O)C1CCOC1 1458a_100000183556_100000690089 [0,0,0,1,0,0|3,0,0]=4 2963 B12R1.54 CC(=O)OCC(=O)N1CCCC1 240690a_100000188435_100000183556 [0,0,0,1,0,0|2,0,0]=3 2964 B12R1.54 CC(=O)OCC(=O)N1CCCC1 527a_100000188435_100000183556 [0,0,0,1,0,0|2,0,0]=3 2965 B12R1.54 CC(=O)OCC(=O)N1CCSC1 240690a_100011215254_100000183556 [0,0,0,1,0,0|3,0,0]=4 2966 B12R1.54 CC(=O)OCC(=O)N1CCSC1 527a_100011215254_100000183556 [0,0,0,1,0,0|3,0,0]=4 2967 B12R1.54 CC(=O)SCC(=O)C1CCCC1 1458a_100000049016_100000179811 [0,0,0,1,0,0|2,0,0]=3 2968 B12R1.54 CC(=O)SCC(=O)C1CCOC1 1458a_100000049016_100000690089 [0,0,0,1,0,0|3,0,0]=4 2969 B12R1.54 CC(=O)SCC(=O)N1CCCC1 240690a_100000188435_100000049016 [0,0,0,1,0,0|2,0,0]=3 2970 B12R1.54 CC(=O)SCC(=O)N1CCSC1 11a_100011215254_100000049016 [0,0,0,1,0,0|3,0,0]=4 2971 B12R1.54 CC(=O)SCC(=O)N1CCSC1 240690a_100011215254_100000049016 [0,0,0,1,0,0|3,0,0]=4 2972 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000181311_100000179811 [0,0,0,1,0,0|2,0,1]=4 2973 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000210718_100000210312 [0,0,0,1,0,0|2,0,1]=4 2974 B12R1.54 CC(C)CCC(=O)N1CCCC1 240690a_100000188435_100000181311 [0,0,0,1,0,0|2,0,1]=4 2975 B12R1.54 CC(C)CCC(=O)N1CCCC1 527a_100000188435_100000181311 [0,0,0,1,0,0|2,0,1]=4 2976 B12R1.54 CC(O)CCC(=O)C1CCCC1 1458a_100000210718_100012276601 [0,0,0,1,0,0|1,0,2]=4 2977 B12R1.54 CN(C)CCC(=O)N1CCCC1 2230a_100102631434_100011194422 [0,0,0,1,0,0|3,0,0]=4 2978 B12R1.54 CN(C)CCC(=O)N1CCCC1 240690a_100000188435_100000689311 [0,0,0,1,0,0|3,0,0]=4 2979 B12R1.54 CN(C)CCC(=O)N1CCCC1 269982a_100102631434_100011194422 [0,0,0,1,0,0|3,0,0]=4 2980 B12R1.54 CN(C)CCC(=O)N1CCCC1 527a_100000188435_100000689311 [0,0,0,1,0,0|3,0,0]=4 2981 B12R1.54 C[S+](C)CCC(=O)C1CCCC1 1458a_100009452791_100000179811 [0,0,0,1,0,0|3,0,0]=4 2982 B12R1.54 C[S+](C)CCC(=O)N1CCCC1 240690a_100000188435_100009452791 [0,0,0,1,0,0|3,0,0]=4 2983 B12R1.54 NC(=O)CCC(=O)C1CCCC1 1458a_100011215257_100000179811 [0,0,0,1,0,0|2,0,0]=3 2984 B12R1.54 NC(=O)CCC(=O)C1CCOC1 1458a_100011215257_100000690089 [0,0,0,1,0,0|3,0,0]=4 2985 B12R1.54 NC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100011215257 [0,0,0,1,0,0|2,0,0]=3 2986 B12R1.54 NC(=O)CCC(=O)N1CCCC1 527a_100000188435_100011215257 [0,0,0,1,0,0|2,0,0]=3 2987 B12R1.54 NC(=O)CCC(=O)N1CCSC1 240690a_100011215254_100011215257 [0,0,0,1,0,0|3,0,0]=4 2988 B12R1.54 NC(=O)CCC(=O)N1CCSC1 527a_100011215254_100011215257 [0,0,0,1,0,0|3,0,0]=4 2989 B12R1.54 NC(=O)CNC(=O)C1CCCC1 11a_100000711301_100000210718 [0,0,0,1,0,0|3,0,0]=4 2990 B12R1.54 NC(=O)CNC(=O)C1CCCC1 240690a_100000711301_100000210718 [0,0,0,1,0,0|3,0,0]=4 2991 B12R1.54 NC(=O)CNC(=O)C1CCCC1 527a_100000711301_100000210718 [0,0,0,1,0,0|3,0,0]=4 2992 B12R1.54 NC(=O)CNC(=O)N1CCCC1 273464a_100000711301_100000188435 [0,0,0,1,0,0|3,0,0]=4 2993 B12R1.54 NC(=O)NCC(=O)C1CCCC1 1458a_100000184981_100000179811 [0,0,0,1,0,0|3,0,0]=4 2994 B12R1.54 NC(=O)NCC(=O)N1CCCC1 240690a_100000188435_100000184981 [0,0,0,1,0,0|3,0,0]=4 2995 B12R1.54 NC(=O)NCC(=O)N1CCCC1 527a_100000188435_100000184981 [0,0,0,1,0,0|3,0,0]=4 2996 B12R1.54 NC(=O)SCC(=O)N1CCCC1 240690a_100000188435_200015941356 [0,0,0,1,0,0|3,0,0]=4 2997 B12R1.54 O=C(CC[N+](=O)[O-])C1CCCC1 1458a_200000064761_100000179811 [0,0,0,1,0,0|3,0,0]=4 2998 B12R1.54 O=C(CC[N+](=O)[O-])N1CCCC1 240690a_100000188435_200000064761 [0,0,0,1,0,0|3,0,0]=4 2999 B12R1.54 [13CH3]C(=O)CCC(=O)N1CCCC1 1458a_200000187315_200025704644 [0,0,0,1,0,0|1,0,0]=2 3000 B12R1.54 [13CH3]C(=O)CSC(=S)N1CCCC1 1458a_100000008031_200025704644 [0,0,0,1,0,0|2,1,0]=4 3001 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [0,0,0,1,0,0|2,0,1]=4 3002 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [0,0,0,1,0,0|2,0,1]=4 3003 B12R1.147 C=C(C)CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_200000688413 [0,0,0,1,0,0|3,0,0]=4 3004 B12R1.147 C=C(C)CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_200000688413 [0,0,0,1,0,0|3,0,0]=4 3005 B12R1.147 C=C(C)CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_200000688413 [0,0,0,1,0,0|3,0,0]=4 3006 B12R1.147 C=C(C)CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_200000688413 [0,0,0,1,0,0|3,0,0]=4 3007 B12R1.147 C=C(C)CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_200000688413 [0,0,0,1,0,0|3,0,0]=4 3008 B12R1.147 C=C(C)CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_200000688413 [0,0,0,1,0,0|3,0,0]=4 3009 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000194580 [0,0,0,1,0,0|3,0,0]=4 3010 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000194580 [0,0,0,1,0,0|3,0,0]=4 3011 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000194580 [0,0,0,1,0,0|3,0,0]=4 3012 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000194580 [0,0,0,1,0,0|3,0,0]=4 3013 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000194580 [0,0,0,1,0,0|3,0,0]=4 3014 B12R1.147 CC(=O)NCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000194580 [0,0,0,1,0,0|3,0,0]=4 3015 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000183556 [0,0,0,1,0,0|3,0,0]=4 3016 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000183556 [0,0,0,1,0,0|3,0,0]=4 3017 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000183556 [0,0,0,1,0,0|3,0,0]=4 3018 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000183556 [0,0,0,1,0,0|3,0,0]=4 3019 B12R1.147 CC(=O)OCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000183556 [0,0,0,1,0,0|3,0,0]=4 3020 B12R1.147 CC(=O)SCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000049016 [0,0,0,1,0,0|3,0,0]=4 3021 B12R1.147 CC(=O)SCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000049016 [0,0,0,1,0,0|3,0,0]=4 3022 B12R1.147 CC(=O)SCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000049016 [0,0,0,1,0,0|3,0,0]=4 3023 B12R1.147 CC(=O)SCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000049016 [0,0,0,1,0,0|3,0,0]=4 3024 B12R1.147 NC(=O)CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011215257 [0,0,0,1,0,0|3,0,0]=4 3025 B12R1.147 NC(=O)CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100011215257 [0,0,0,1,0,0|3,0,0]=4 3026 B12R1.147 NC(=O)CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011215257 [0,0,0,1,0,0|3,0,0]=4 3027 B12R1.147 NC(=O)CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100011215257 [0,0,0,1,0,0|3,0,0]=4 3028 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [0,0,0,1,0,0|2,0,0]=3 3029 B12R1.210 CC(=O)NC1CCCCNC1=O 11a_100000698827_100015343762 [0,0,0,1,0,0|2,0,0]=3 3030 B12R1.210 CC(=O)NC1CCCCNC1=O 1626a_100000698827_100015343762 [0,0,0,1,0,0|2,0,0]=3 3031 B12R1.210 CC(=O)NC1CCCCNC1=O 240690a_100000698827_100015343762 [0,0,0,1,0,0|2,0,0]=3 3032 B12R1.210 CC(=O)NC1CCCCNC1=O 527a_100000698827_100103153847 [0,0,0,1,0,0|2,0,0]=3 3033 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [0,0,0,1,0,0|2,0,0]=3 3034 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_100000070787_100000766211 [0,0,0,1,0,0|3,0,0]=4 3035 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_200000177587_200000210301 [0,0,0,1,0,0|3,0,0]=4 3036 B12R1.226 CC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000053229 [0,0,0,1,0,0|3,0,0]=4 3037 B12R1.226 CC1CCCN(C1)CCC(=O)[13CH3] 1458a_200000177587_200025704644 [0,0,0,1,0,0|3,0,0]=4 3038 B12R1.230 C=C(C)CCC(=O)N1CCC1C 11a_100000755817_200000688413 [0,0,0,1,0,0|2,0,0]=3 3039 B12R1.230 C=C(C)CCC(=O)N1CCC1C 240690a_100000755817_200000688413 [0,0,0,1,0,0|2,0,0]=3 3040 B12R1.230 C=C(C)CCC(=O)N1CCC1C 527a_100000755817_200000688413 [0,0,0,1,0,0|2,0,0]=3 3041 B12R1.230 C=C(C)CNC(=O)N1CCC1C 2708a_100000765925_100000755817 [0,0,0,1,0,0|3,0,0]=4 3042 B12R1.230 C=C(C)CNC(=O)N1CCC1C 273464a_100000765925_100000755817 [0,0,0,1,0,0|3,0,0]=4 3043 B12R1.230 CC(=CCC(=O)N1CCC1C)C 11a_100000755817_100011220947 [0,0,0,1,0,0|2,0,1]=4 3044 B12R1.230 CC(=CCC(=O)N1CCC1C)C 240690a_100000755817_100011220947 [0,0,0,1,0,0|2,0,1]=4 3045 B12R1.230 CC(=CCC(=O)N1CCC1C)C 527a_100000755817_100011220947 [0,0,0,1,0,0|2,0,1]=4 3046 B12R1.230 CC(=O)NCC(=O)N1CCC1C 11a_100000755817_100000194580 [0,0,0,1,0,0|2,0,0]=3 3047 B12R1.230 CC(=O)NCC(=O)N1CCC1C 240690a_100000755817_100000194580 [0,0,0,1,0,0|2,0,0]=3 3048 B12R1.230 CC(=O)NCC(=O)N1CCC1C 527a_100000755817_100000194580 [0,0,0,1,0,0|2,0,0]=3 3049 B12R1.230 CC(=O)OCC(=O)N1CCC1C 240690a_100000755817_100000183556 [0,0,0,1,0,0|2,0,0]=3 3050 B12R1.230 CC(=O)OCC(=O)N1CCC1C 527a_100000755817_100000183556 [0,0,0,1,0,0|2,0,0]=3 3051 B12R1.230 CC(=O)SCC(=O)N1CCC1C 11a_100000755817_100000049016 [0,0,0,1,0,0|2,0,0]=3 3052 B12R1.230 CC(=O)SCC(=O)N1CCC1C 240690a_100000755817_100000049016 [0,0,0,1,0,0|2,0,0]=3 3053 B12R1.230 CC(C)CCC(=O)N1CCC1C 11a_100000755817_100000181311 [0,0,0,1,0,0|2,0,1]=4 3054 B12R1.230 CC(C)CCC(=O)N1CCC1C 240690a_100000755817_100000181311 [0,0,0,1,0,0|2,0,1]=4 3055 B12R1.230 CC(C)CCC(=O)N1CCC1C 527a_100000755817_100000181311 [0,0,0,1,0,0|2,0,1]=4 3056 B12R1.230 CC1CCN1C(=O)CCC(=O)N 240690a_100000755817_100011215257 [0,0,0,1,0,0|2,0,0]=3 3057 B12R1.230 CC1CCN1C(=O)CCC(=O)N 527a_100000755817_100011215257 [0,0,0,1,0,0|2,0,0]=3 3058 B12R1.230 CC1CCN1C(=O)CCN(C)C 11a_100000755817_100000689311 [0,0,0,1,0,0|3,0,0]=4 3059 B12R1.230 CC1CCN1C(=O)CCN(C)C 240690a_100000755817_100000689311 [0,0,0,1,0,0|3,0,0]=4 3060 B12R1.230 CC1CCN1C(=O)CCN(C)C 527a_100000755817_100000689311 [0,0,0,1,0,0|3,0,0]=4 3061 B12R1.230 CC1CCN1C(=O)CC[N+](=O)[O-] 11a_100000755817_200000064761 [0,0,0,1,0,0|3,0,0]=4 3062 B12R1.230 CC1CCN1C(=O)CC[N+](=O)[O-] 240690a_100000755817_200000064761 [0,0,0,1,0,0|3,0,0]=4 3063 B12R1.230 CC1CCN1C(=O)CC[S+](C)C 11a_100000755817_100009452791 [0,0,0,1,0,0|3,0,0]=4 3064 B12R1.230 CC1CCN1C(=O)CC[S+](C)C 240690a_100000755817_100009452791 [0,0,0,1,0,0|3,0,0]=4 3065 B12R1.230 CC1CCN1C(=O)CNC(=O)N 240690a_100000755817_100000184981 [0,0,0,1,0,0|3,0,0]=4 3066 B12R1.230 CC1CCN1C(=O)CNC(=O)N 527a_100000755817_100000184981 [0,0,0,1,0,0|3,0,0]=4 3067 B12R1.230 CC1CCN1C(=O)CSC(=O)N 240690a_100000755817_200015941356 [0,0,0,1,0,0|3,0,0]=4 3068 B12R1.230 CC1CCN1C(=O)NCC(=O)N 273464a_100000711301_100000755817 [0,0,0,1,0,0|3,0,0]=4 3069 B12R1.397 C=C(C)CCC(=O)C1CC1CC 1458a_200011661523_100000730704 [0,0,0,1,0,0|2,0,0]=3 3070 B12R1.397 C=C(C)CNC(=O)C1CC1CC 11a_100000765925_200011661523 [0,0,0,1,0,0|3,0,0]=4 3071 B12R1.397 C=C(C)CNC(=O)C1CC1CC 1626a_100000765925_200011661523 [0,0,0,1,0,0|3,0,0]=4 3072 B12R1.397 C=C(C)CNC(=O)C1CC1CC 240690a_100000765925_200011661523 [0,0,0,1,0,0|3,0,0]=4 3073 B12R1.397 C=C(C)CNC(=O)C1CC1CC 527a_100000765925_200011661523 [0,0,0,1,0,0|3,0,0]=4 3074 B12R1.397 CCC1CC1C(=O)CC=C(C)C 1458a_200011661523_100000761012 [0,0,0,1,0,0|2,0,1]=4 3075 B12R1.397 CCC1CC1C(=O)CCC(C)C 1458a_200011661523_100000210312 [0,0,0,1,0,0|2,0,1]=4 3076 B12R1.397 CCC1CC1C(=O)CCC(C)O 1458a_200011661523_100012276601 [0,0,0,1,0,0|1,0,2]=4 3077 B12R1.397 CCC1CC1C(=O)NCC(=O)N 11a_100000711301_200011661523 [0,0,0,1,0,0|3,0,0]=4 3078 B12R1.397 CCC1CC1C(=O)NCC(=O)N 240690a_100000711301_200011661523 [0,0,0,1,0,0|3,0,0]=4 3079 B12R1.397 CCC1CC1C(=O)NCC(=O)N 527a_100000711301_200011661523 [0,0,0,1,0,0|3,0,0]=4 3080 B12R1.397 CCC1CC1C(=O)NNC(=O)C 22a_100000189765_200011661523 [0,0,0,1,0,0|3,0,0]=4 3081 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000212188_100000694398 [0,0,0,1,0,0|2,0,1]=4 3082 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000756386_100000210326 [0,0,0,1,0,0|2,0,1]=4 3083 B12R1.484 CCCCCC(=O)CCC1CO1 1458a_100000212188_100000732470 [0,0,0,1,0,0|1,0,2]=4 3084 B12R1.484 CCCCNC(=O)CCC1CC1 11a_100000102301_100000756386 [0,0,0,1,0,0|2,0,1]=4 3085 B12R1.484 CCCCNC(=O)CCC1CC1 1626a_100000102301_100000756386 [0,0,0,1,0,0|2,0,1]=4 3086 B12R1.484 CCCCNC(=O)CCC1CC1 240690a_100000102301_100000756386 [0,0,0,1,0,0|2,0,1]=4 3087 B12R1.484 CCCCNC(=O)CCC1CC1 527a_100000102301_100000756386 [0,0,0,1,0,0|2,0,1]=4 3088 B12R1.484 CCCCOC(=O)CNC1CC1 34a_100000212008_100000211628 [0,0,0,1,0,0|2,0,1]=4 3089 B12R1.484 CCCCOC(=O)CSC1CC1 62a_100000211628_100000211595 [0,0,0,1,0,0|2,0,1]=4 3090 B12R1.486 C=C1CC(C1)C(=O)CCCCC 1458a_100000065620_100000210326 [0,0,0,1,0,0|2,0,0]=3 3091 B12R1.486 C=C1CC(C1)C(=O)CCCCF 1458a_100000065620_100000729493 [0,0,0,1,0,0|3,0,0]=4 3092 B12R1.486 C=C1CC(C1)C(=O)CCCCO 1458a_100000065620_100000210776 [0,0,0,1,0,0|3,0,0]=4 3093 B12R1.486 C=C1CC(C1)C(=O)CCCOC 1458a_100000065620_100000740836 [0,0,0,1,0,0|3,0,0]=4 3094 B12R1.486 C=C1CC(C1)C(=O)CCOCC 1458a_100000065620_100011215890 [0,0,0,1,0,0|3,0,0]=4 3095 B12R1.486 C=C1CC(C1)C(=O)CCSCC 1458a_100000065620_100000757381 [0,0,0,1,0,0|3,0,0]=4 3096 B12R1.486 C=C1CC(C1)C(=O)NCCCC 11a_100000102301_100000065620 [0,0,0,1,0,0|2,0,0]=3 3097 B12R1.486 C=C1CC(C1)C(=O)NCCCC 1626a_100000102301_100000065620 [0,0,0,1,0,0|2,0,0]=3 3098 B12R1.486 C=C1CC(C1)C(=O)NCCCC 240690a_100000102301_100000065620 [0,0,0,1,0,0|2,0,0]=3 3099 B12R1.486 C=C1CC(C1)C(=O)NCCCC 527a_100000102301_100000065620 [0,0,0,1,0,0|2,0,0]=3 3100 B12R1.486 C=C1CC(C1)C(=O)NCCCF 11a_100015189416_100000065620 [0,0,0,1,0,0|3,0,0]=4 3101 B12R1.486 C=C1CC(C1)C(=O)NCCCF 1626a_100015189416_100000065620 [0,0,0,1,0,0|3,0,0]=4 3102 B12R1.486 C=C1CC(C1)C(=O)NCCCF 240690a_100015189416_100000065620 [0,0,0,1,0,0|3,0,0]=4 3103 B12R1.486 C=C1CC(C1)C(=O)NCCCF 527a_100015189416_100000065620 [0,0,0,1,0,0|3,0,0]=4 3104 B12R1.486 C=C1CC(C1)C(=O)NCCCO 240690a_100000182051_100000065620 [0,0,0,1,0,0|3,0,0]=4 3105 B12R1.486 C=C1CC(C1)C(=O)NCCCO 527a_100000182051_100000065620 [0,0,0,1,0,0|3,0,0]=4 3106 B12R1.486 C=C1CC(C1)C(=O)NCCOC 1626a_100000209980_100000065620 [0,0,0,1,0,0|3,0,0]=4 3107 B12R1.486 C=C1CC(C1)C(=O)NCCOC 240690a_100000209980_100000065620 [0,0,0,1,0,0|3,0,0]=4 3108 B12R1.486 C=C1CC(C1)C(=O)NCCOC 527a_100000209980_100000065620 [0,0,0,1,0,0|3,0,0]=4 3109 B12R1.486 C=C1CC(C1)C(=O)NCCSC 11a_100020590264_100000065620 [0,0,0,1,0,0|3,0,0]=4 3110 B12R1.486 C=C1CC(C1)C(=O)NCCSC 1626a_100020590264_100000065620 [0,0,0,1,0,0|3,0,0]=4 3111 B12R1.486 C=C1CC(C1)C(=O)NCCSC 240690a_100020590264_100000065620 [0,0,0,1,0,0|3,0,0]=4 3112 B12R1.486 C=C1CC(C1)C(=O)NCCSC 527a_100020590264_100000065620 [0,0,0,1,0,0|3,0,0]=4 3113 B12R1.486 C=C1CC(C1)C(=O)NNCCC 22a_100000740057_100000065620 [0,0,0,1,0,0|3,0,0]=4 3114 B12R1.486 CCCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210326 [0,0,0,1,0,0|2,0,1]=4 3115 B12R1.486 CCCCCC(=O)C1CC(C1)F 1458a_100000062598_100000210326 [0,0,0,1,0,0|2,0,1]=4 3116 B12R1.486 CCCCCC(=O)C1CN(C1)C 1458a_100012002723_100000210326 [0,0,0,1,0,0|3,0,0]=4 3117 B12R1.486 CCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210326 [0,0,0,1,0,0|2,0,0]=3 3118 B12R1.486 CCCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210326 [0,0,0,1,0,0|1,0,2]=4 3119 B12R1.486 CCCCCN(C)C1CC(=O)C1 269982a_100000223495_100009894365 [0,0,0,1,0,0|3,0,0]=4 3120 B12R1.486 CCCCNC(=O)C1CC(C1)C 11a_100000102301_100000686124 [0,0,0,1,0,0|2,0,1]=4 3121 B12R1.486 CCCCNC(=O)C1CC(C1)C 1626a_100000102301_100000686124 [0,0,0,1,0,0|2,0,1]=4 3122 B12R1.486 CCCCNC(=O)C1CC(C1)C 240690a_100000102301_100000686124 [0,0,0,1,0,0|2,0,1]=4 3123 B12R1.486 CCCCNC(=O)C1CC(C1)C 527a_100000102301_100000686124 [0,0,0,1,0,0|2,0,1]=4 3124 B12R1.486 CCCCNC(=O)C1CC(C1)F 11a_100000102301_100000062598 [0,0,0,1,0,0|2,0,1]=4 3125 B12R1.486 CCCCNC(=O)C1CC(C1)F 1626a_100000102301_100000062598 [0,0,0,1,0,0|2,0,1]=4 3126 B12R1.486 CCCCNC(=O)C1CC(C1)F 240690a_100000102301_100000062598 [0,0,0,1,0,0|2,0,1]=4 3127 B12R1.486 CCCCNC(=O)C1CC(C1)F 527a_100000102301_100000062598 [0,0,0,1,0,0|2,0,1]=4 3128 B12R1.486 CCCCNC(=O)C1CN(C1)C 240690a_100000102301_100012002723 [0,0,0,1,0,0|3,0,0]=4 3129 B12R1.486 CCCCNC(=O)[C@@H]1CC(=O)N1 527a_100000102301_100016090685 [0,0,0,1,0,0|2,0,0]=3 3130 B12R1.486 CCCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100000102301_100015266633 [0,0,0,1,0,0|1,0,2]=4 3131 B12R1.486 CCCCNC(=O)[C@H]1C[C@H](C1)O 527a_100000102301_100015266633 [0,0,0,1,0,0|1,0,2]=4 3132 B12R1.486 CCCNNC(=O)[C@@H]1CC(=O)N1 22a_100000740057_100016090685 [0,0,0,1,0,0|3,0,0]=4 3133 B12R1.486 CCOCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011215890 [0,0,0,1,0,0|3,0,0]=4 3134 B12R1.486 CCSCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000757381 [0,0,0,1,0,0|3,0,0]=4 3135 B12R1.486 COCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000740836 [0,0,0,1,0,0|3,0,0]=4 3136 B12R1.486 COCCNC(=O)[C@@H]1CC(=O)N1 527a_100000209980_100016090685 [0,0,0,1,0,0|3,0,0]=4 3137 B12R1.486 CSCCNC(=O)[C@@H]1CC(=O)N1 527a_100020590264_100016090685 [0,0,0,1,0,0|3,0,0]=4 3138 B12R1.486 O=C1C[C@H](N1)C(=O)CCCCF 1458a_100016090685_100000729493 [0,0,0,1,0,0|3,0,0]=4 3139 B12R1.486 O=C1C[C@H](N1)C(=O)CCCCO 1458a_100016090685_100000210776 [0,0,0,1,0,0|3,0,0]=4 3140 B12R1.486 O=C1C[C@H](N1)C(=O)NCCCF 527a_100015189416_100016090685 [0,0,0,1,0,0|3,0,0]=4 3141 B12R1.486 O=C1C[C@H](N1)C(=O)NCCCO 527a_100000182051_100016090685 [0,0,0,1,0,0|3,0,0]=4 3142 B12R1.551 C=C(C)CCC(=O)C=C1CCC1 1458a_100000686340_100000730704 [0,0,0,1,0,0|2,0,1]=4 3143 B12R1.551 C=C(C)CCC(=O)CC1CCC1 1458a_100000763092_100000730704 [0,0,0,1,0,0|2,0,0]=3 3144 B12R1.551 C=C(C)CCC(=O)CC1CCC1 1458a_200000688413_100000763275 [0,0,0,1,0,0|2,0,0]=3 3145 B12R1.551 C=C(C)CCC(=O)CC1CCO1 1458a_200000688413_100000103362 [0,0,0,1,0,0|3,0,0]=4 3146 B12R1.551 C=C(C)CCC(=O)CC1COC1 1458a_100000687760_100000730704 [0,0,0,1,0,0|3,0,0]=4 3147 B12R1.551 C=C(C)CCC(=O)CC1COC1 1458a_200000688413_100010264016 [0,0,0,1,0,0|3,0,0]=4 3148 B12R1.551 C=C(C)CCC(=O)NC1CCC1 11a_100000749019_200000688413 [0,0,0,1,0,0|2,0,0]=3 3149 B12R1.551 C=C(C)CCC(=O)NC1CCC1 1626a_100000749019_200000688413 [0,0,0,1,0,0|2,0,0]=3 3150 B12R1.551 C=C(C)CCC(=O)NC1CCC1 240690a_100000749019_200000688413 [0,0,0,1,0,0|2,0,0]=3 3151 B12R1.551 C=C(C)CCC(=O)NC1CCC1 527a_100000749019_200000688413 [0,0,0,1,0,0|2,0,0]=3 3152 B12R1.551 C=C(C)CCC(=O)NC1COC1 11a_100016991112_200000688413 [0,0,0,1,0,0|3,0,0]=4 3153 B12R1.551 C=C(C)CCC(=O)NC1COC1 1626a_100016991112_200000688413 [0,0,0,1,0,0|3,0,0]=4 3154 B12R1.551 C=C(C)CCC(=O)NC1COC1 240690a_100016991112_200000688413 [0,0,0,1,0,0|3,0,0]=4 3155 B12R1.551 C=C(C)CCC(=O)NC1COC1 527a_100016991112_200000688413 [0,0,0,1,0,0|3,0,0]=4 3156 B12R1.551 C=C(C)CCC(=O)NC1CSC1 11a_100016994217_200000688413 [0,0,0,1,0,0|3,0,0]=4 3157 B12R1.551 C=C(C)CCC(=O)NC1CSC1 1626a_100016994217_200000688413 [0,0,0,1,0,0|3,0,0]=4 3158 B12R1.551 C=C(C)CCC(=O)NC1CSC1 240690a_100016994217_200000688413 [0,0,0,1,0,0|3,0,0]=4 3159 B12R1.551 C=C(C)CCC(=O)NC1CSC1 527a_100016994217_200000688413 [0,0,0,1,0,0|3,0,0]=4 3160 B12R1.551 C=C(C)CNC(=O)CC1CCC1 11a_100000765925_100000763092 [0,0,0,1,0,0|3,0,0]=4 3161 B12R1.551 C=C(C)CNC(=O)CC1CCC1 1626a_100000765925_100000763092 [0,0,0,1,0,0|3,0,0]=4 3162 B12R1.551 C=C(C)CNC(=O)CC1CCC1 240690a_100000765925_100000763092 [0,0,0,1,0,0|3,0,0]=4 3163 B12R1.551 C=C(C)CNC(=O)CC1CCC1 527a_100000765925_100000763092 [0,0,0,1,0,0|3,0,0]=4 3164 B12R1.551 C=C(C)CNC(=O)NC1CCC1 2708a_100000765925_100000749019 [0,0,0,1,0,0|3,0,0]=4 3165 B12R1.551 C=C(C)CNC(=O)NC1CCC1 273464a_100000749019_100000765925 [0,0,0,1,0,0|3,0,0]=4 3166 B12R1.551 C=C(C)CNC(=O)NC1CCC1 273464a_100000765925_100000749019 [0,0,0,1,0,0|3,0,0]=4 3167 B12R1.551 C=C(C)CNC(=O)NC1CCC1 512a_100000749019_100000765925 [0,0,0,1,0,0|3,0,0]=4 3168 B12R1.551 C=C(C)CNC(=O)NC1CCC1 512a_100000765925_100000749019 [0,0,0,1,0,0|3,0,0]=4 3169 B12R1.551 CC(=CCC(=O)CC1CCC1)C 1458a_100000763092_100000761012 [0,0,0,1,0,0|2,0,1]=4 3170 B12R1.551 CC(=CCC(=O)CC1CCC1)C 1458a_100011220947_100000763275 [0,0,0,1,0,0|2,0,1]=4 3171 B12R1.551 CC(=CCC(=O)NC1CCC1)C 11a_100000749019_100011220947 [0,0,0,1,0,0|2,0,1]=4 3172 B12R1.551 CC(=CCC(=O)NC1CCC1)C 1626a_100000749019_100011220947 [0,0,0,1,0,0|2,0,1]=4 3173 B12R1.551 CC(=CCC(=O)NC1CCC1)C 240690a_100000749019_100011220947 [0,0,0,1,0,0|2,0,1]=4 3174 B12R1.551 CC(=CCC(=O)NC1CCC1)C 527a_100000749019_100011220947 [0,0,0,1,0,0|2,0,1]=4 3175 B12R1.551 CC(=O)CCN(C)CC1CCC1 269982a_200000750244_100000053229 [0,0,0,1,0,0|3,0,0]=4 3176 B12R1.551 CC(=O)NCC(=O)CC1CCC1 1458a_100000194580_100000763275 [0,0,0,1,0,0|2,0,0]=3 3177 B12R1.551 CC(=O)NCC(=O)CC1CCO1 1458a_100000194580_100000103362 [0,0,0,1,0,0|3,0,0]=4 3178 B12R1.551 CC(=O)NCC(=O)CC1COC1 1458a_100000194580_100010264016 [0,0,0,1,0,0|3,0,0]=4 3179 B12R1.551 CC(=O)NCC(=O)NC1CCC1 11a_100000749019_100000194580 [0,0,0,1,0,0|2,0,0]=3 3180 B12R1.551 CC(=O)NCC(=O)NC1CCC1 1626a_100000749019_100000194580 [0,0,0,1,0,0|2,0,0]=3 3181 B12R1.551 CC(=O)NCC(=O)NC1CCC1 240690a_100000749019_100000194580 [0,0,0,1,0,0|2,0,0]=3 3182 B12R1.551 CC(=O)NCC(=O)NC1CCC1 527a_100000749019_100000194580 [0,0,0,1,0,0|2,0,0]=3 3183 B12R1.551 CC(=O)NCC(=O)NC1COC1 11a_100016991112_100000194580 [0,0,0,1,0,0|3,0,0]=4 3184 B12R1.551 CC(=O)NCC(=O)NC1COC1 1626a_100016991112_100000194580 [0,0,0,1,0,0|3,0,0]=4 3185 B12R1.551 CC(=O)NCC(=O)NC1COC1 240690a_100016991112_100000194580 [0,0,0,1,0,0|3,0,0]=4 3186 B12R1.551 CC(=O)NCC(=O)NC1COC1 527a_100016991112_100000194580 [0,0,0,1,0,0|3,0,0]=4 3187 B12R1.551 CC(=O)NCC(=O)NC1CSC1 11a_100016994217_100000194580 [0,0,0,1,0,0|3,0,0]=4 3188 B12R1.551 CC(=O)NCC(=O)NC1CSC1 1626a_100016994217_100000194580 [0,0,0,1,0,0|3,0,0]=4 3189 B12R1.551 CC(=O)NCC(=O)NC1CSC1 240690a_100016994217_100000194580 [0,0,0,1,0,0|3,0,0]=4 3190 B12R1.551 CC(=O)NCC(=O)NC1CSC1 527a_100016994217_100000194580 [0,0,0,1,0,0|3,0,0]=4 3191 B12R1.551 CC(=O)NNC(=O)CC1CCC1 22a_100000189765_100000763092 [0,0,0,1,0,0|3,0,0]=4 3192 B12R1.551 CC(=O)NNC(=O)NC1CCC1 273464a_100000749019_100000189765 [0,0,0,1,0,0|3,0,0]=4 3193 B12R1.551 CC(=O)NNC(=O)NC1CCC1 512a_100000189765_100000749019 [0,0,0,1,0,0|3,0,0]=4 3194 B12R1.551 CC(=O)OCC(=O)CC1CCC1 1458a_100000183556_100000763275 [0,0,0,1,0,0|2,0,0]=3 3195 B12R1.551 CC(=O)OCC(=O)CC1CCO1 1458a_100000183556_100000103362 [0,0,0,1,0,0|3,0,0]=4 3196 B12R1.551 CC(=O)OCC(=O)CC1COC1 1458a_100000183556_100010264016 [0,0,0,1,0,0|3,0,0]=4 3197 B12R1.551 CC(=O)OCC(=O)CN1CCC1 269982a_100000754969_100000036994 [0,0,0,1,0,0|3,0,0]=4 3198 B12R1.551 CC(=O)OCC(=O)NC1CCC1 1626a_100000749019_100000183556 [0,0,0,1,0,0|2,0,0]=3 3199 B12R1.551 CC(=O)OCC(=O)NC1CCC1 240690a_100000749019_100000183556 [0,0,0,1,0,0|2,0,0]=3 3200 B12R1.551 CC(=O)OCC(=O)NC1CCC1 527a_100000749019_100000183556 [0,0,0,1,0,0|2,0,0]=3 3201 B12R1.551 CC(=O)OCC(=O)NC1COC1 1626a_100016991112_100000183556 [0,0,0,1,0,0|3,0,0]=4 3202 B12R1.551 CC(=O)OCC(=O)NC1COC1 240690a_100016991112_100000183556 [0,0,0,1,0,0|3,0,0]=4 3203 B12R1.551 CC(=O)OCC(=O)NC1COC1 527a_100016991112_100000183556 [0,0,0,1,0,0|3,0,0]=4 3204 B12R1.551 CC(=O)OCC(=O)NC1CSC1 1626a_100016994217_100000183556 [0,0,0,1,0,0|3,0,0]=4 3205 B12R1.551 CC(=O)OCC(=O)NC1CSC1 240690a_100016994217_100000183556 [0,0,0,1,0,0|3,0,0]=4 3206 B12R1.551 CC(=O)OCC(=O)NC1CSC1 527a_100016994217_100000183556 [0,0,0,1,0,0|3,0,0]=4 3207 B12R1.551 CC(=O)SCC(=O)CC1CCC1 1458a_100000049016_100000763275 [0,0,0,1,0,0|2,0,0]=3 3208 B12R1.551 CC(=O)SCC(=O)CC1CCO1 1458a_100000049016_100000103362 [0,0,0,1,0,0|3,0,0]=4 3209 B12R1.551 CC(=O)SCC(=O)CC1COC1 1458a_100000049016_100010264016 [0,0,0,1,0,0|3,0,0]=4 3210 B12R1.551 CC(=O)SCC(=O)NC1CCC1 11a_100000749019_100000049016 [0,0,0,1,0,0|2,0,0]=3 3211 B12R1.551 CC(=O)SCC(=O)NC1CCC1 1626a_100000749019_100000049016 [0,0,0,1,0,0|2,0,0]=3 3212 B12R1.551 CC(=O)SCC(=O)NC1CCC1 240690a_100000749019_100000049016 [0,0,0,1,0,0|2,0,0]=3 3213 B12R1.551 CC(=O)SCC(=O)NC1COC1 11a_100016991112_100000049016 [0,0,0,1,0,0|3,0,0]=4 3214 B12R1.551 CC(=O)SCC(=O)NC1COC1 1626a_100016991112_100000049016 [0,0,0,1,0,0|3,0,0]=4 3215 B12R1.551 CC(=O)SCC(=O)NC1COC1 240690a_100016991112_100000049016 [0,0,0,1,0,0|3,0,0]=4 3216 B12R1.551 CC(=O)SCC(=O)NC1CSC1 11a_100016994217_100000049016 [0,0,0,1,0,0|3,0,0]=4 3217 B12R1.551 CC(=O)SCC(=O)NC1CSC1 1626a_100016994217_100000049016 [0,0,0,1,0,0|3,0,0]=4 3218 B12R1.551 CC(=O)SCC(=O)NC1CSC1 240690a_100016994217_100000049016 [0,0,0,1,0,0|3,0,0]=4 3219 B12R1.551 CC(C)CCC(=O)CC1CCC1 1458a_100000181311_100000763275 [0,0,0,1,0,0|2,0,1]=4 3220 B12R1.551 CC(C)CCC(=O)CC1CCC1 1458a_100000763092_100000210312 [0,0,0,1,0,0|2,0,1]=4 3221 B12R1.551 CC(C)CCC(=O)NC1CCC1 11a_100000749019_100000181311 [0,0,0,1,0,0|2,0,1]=4 3222 B12R1.551 CC(C)CCC(=O)NC1CCC1 1626a_100000749019_100000181311 [0,0,0,1,0,0|2,0,1]=4 3223 B12R1.551 CC(C)CCC(=O)NC1CCC1 240690a_100000749019_100000181311 [0,0,0,1,0,0|2,0,1]=4 3224 B12R1.551 CC(C)CCC(=O)NC1CCC1 527a_100000749019_100000181311 [0,0,0,1,0,0|2,0,1]=4 3225 B12R1.551 CC(O)CCC(=O)CC1CCC1 1458a_100000763092_100012276601 [0,0,0,1,0,0|1,0,2]=4 3226 B12R1.551 CC(O)CCC(=O)NC1CCC1 1626a_100000749019_100000718519 [0,0,0,1,0,0|1,0,2]=4 3227 B12R1.551 CN(C)CCC(=O)NC1CCC1 11a_100000749019_100000689311 [0,0,0,1,0,0|3,0,0]=4 3228 B12R1.551 CN(C)CCC(=O)NC1CCC1 240690a_100000749019_100000689311 [0,0,0,1,0,0|3,0,0]=4 3229 B12R1.551 CN(C)CCC(=O)NC1CCC1 527a_100000749019_100000689311 [0,0,0,1,0,0|3,0,0]=4 3230 B12R1.551 C[S+](C)CCC(=O)CC1CCC1 1458a_100009452791_100000763275 [0,0,0,1,0,0|3,0,0]=4 3231 B12R1.551 C[S+](C)CCC(=O)NC1CCC1 11a_100000749019_100009452791 [0,0,0,1,0,0|3,0,0]=4 3232 B12R1.551 C[S+](C)CCC(=O)NC1CCC1 1626a_100000749019_100009452791 [0,0,0,1,0,0|3,0,0]=4 3233 B12R1.551 C[S+](C)CCC(=O)NC1CCC1 240690a_100000749019_100009452791 [0,0,0,1,0,0|3,0,0]=4 3234 B12R1.551 NC(=O)CCC(=O)CC1CCC1 1458a_100011215257_100000763275 [0,0,0,1,0,0|2,0,0]=3 3235 B12R1.551 NC(=O)CCC(=O)CC1CCO1 1458a_100011215257_100000103362 [0,0,0,1,0,0|3,0,0]=4 3236 B12R1.551 NC(=O)CCC(=O)CC1COC1 1458a_100011215257_100010264016 [0,0,0,1,0,0|3,0,0]=4 3237 B12R1.551 NC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100011215257 [0,0,0,1,0,0|2,0,0]=3 3238 B12R1.551 NC(=O)CCC(=O)NC1CCC1 527a_100000749019_100011215257 [0,0,0,1,0,0|2,0,0]=3 3239 B12R1.551 NC(=O)CCC(=O)NC1COC1 240690a_100016991112_100011215257 [0,0,0,1,0,0|3,0,0]=4 3240 B12R1.551 NC(=O)CCC(=O)NC1COC1 527a_100016991112_100011215257 [0,0,0,1,0,0|3,0,0]=4 3241 B12R1.551 NC(=O)CCC(=O)NC1CSC1 240690a_100016994217_100011215257 [0,0,0,1,0,0|3,0,0]=4 3242 B12R1.551 NC(=O)CCC(=O)NC1CSC1 527a_100016994217_100011215257 [0,0,0,1,0,0|3,0,0]=4 3243 B12R1.551 NC(=O)CNC(=O)CC1CCC1 11a_100000711301_100000763092 [0,0,0,1,0,0|3,0,0]=4 3244 B12R1.551 NC(=O)CNC(=O)CC1CCC1 240690a_100000711301_100000763092 [0,0,0,1,0,0|3,0,0]=4 3245 B12R1.551 NC(=O)CNC(=O)CC1CCC1 527a_100000711301_100000763092 [0,0,0,1,0,0|3,0,0]=4 3246 B12R1.551 NC(=O)CNC(=O)NC1CCC1 273464a_100000711301_100000749019 [0,0,0,1,0,0|3,0,0]=4 3247 B12R1.551 NC(=O)CNC(=O)NC1CCC1 273464a_100000749019_100000711301 [0,0,0,1,0,0|3,0,0]=4 3248 B12R1.551 NC(=O)CNC(=O)NC1CCC1 512a_100000749019_100000711301 [0,0,0,1,0,0|3,0,0]=4 3249 B12R1.551 NC(=O)NCC(=O)CC1CCC1 1458a_100000184981_100000763275 [0,0,0,1,0,0|3,0,0]=4 3250 B12R1.551 NC(=O)NCC(=O)NC1CCC1 240690a_100000749019_100000184981 [0,0,0,1,0,0|3,0,0]=4 3251 B12R1.551 NC(=O)NCC(=O)NC1CCC1 527a_100000749019_100000184981 [0,0,0,1,0,0|3,0,0]=4 3252 B12R1.551 NC(=O)SCC(=O)NC1CCC1 240690a_100000749019_200015941356 [0,0,0,1,0,0|3,0,0]=4 3253 B12R1.551 O=C(CC[N+](=O)[O-])CC1CCC1 1458a_200000064761_100000763275 [0,0,0,1,0,0|3,0,0]=4 3254 B12R1.551 O=C(CC[N+](=O)[O-])NC1CCC1 11a_100000749019_200000064761 [0,0,0,1,0,0|3,0,0]=4 3255 B12R1.551 O=C(CC[N+](=O)[O-])NC1CCC1 1626a_100000749019_200000064761 [0,0,0,1,0,0|3,0,0]=4 3256 B12R1.551 O=C(CC[N+](=O)[O-])NC1CCC1 240690a_100000749019_200000064761 [0,0,0,1,0,0|3,0,0]=4 3257 B12R1.552 C=C(C)CCC(=O)C=CC1CC1 1458a_100102529529_100000730704 [0,0,0,1,0,0|2,0,1]=4 3258 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_100000756386_100000730704 [0,0,0,1,0,0|2,0,0]=3 3259 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_200000688413_100000694398 [0,0,0,1,0,0|2,0,0]=3 3260 B12R1.552 C=C(C)CCC(=O)CCC1CO1 1458a_200000688413_100000732470 [0,0,0,1,0,0|3,0,0]=4 3261 B12R1.552 C=C(C)CCC(=O)NCC1CC1 11a_100000735609_200000688413 [0,0,0,1,0,0|2,0,0]=3 3262 B12R1.552 C=C(C)CCC(=O)NCC1CC1 1626a_100000735609_200000688413 [0,0,0,1,0,0|2,0,0]=3 3263 B12R1.552 C=C(C)CCC(=O)NCC1CC1 240690a_100000735609_200000688413 [0,0,0,1,0,0|2,0,0]=3 3264 B12R1.552 C=C(C)CCC(=O)NCC1CC1 527a_100000735609_200000688413 [0,0,0,1,0,0|2,0,0]=3 3265 B12R1.552 C=C(C)CCC(=O)NNC1CC1 22a_100000701032_200000688413 [0,0,0,1,0,0|3,0,0]=4 3266 B12R1.552 C=C(C)CNC(=O)CCC1CC1 11a_100000765925_100000756386 [0,0,0,1,0,0|3,0,0]=4 3267 B12R1.552 C=C(C)CNC(=O)CCC1CC1 1626a_100000765925_100000756386 [0,0,0,1,0,0|3,0,0]=4 3268 B12R1.552 C=C(C)CNC(=O)CCC1CC1 240690a_100000765925_100000756386 [0,0,0,1,0,0|3,0,0]=4 3269 B12R1.552 C=C(C)CNC(=O)CCC1CC1 527a_100000765925_100000756386 [0,0,0,1,0,0|3,0,0]=4 3270 B12R1.552 C=C(C)CNC(=O)NCC1CC1 2708a_100000735609_100000765925 [0,0,0,1,0,0|3,0,0]=4 3271 B12R1.552 C=C(C)CNC(=O)NCC1CC1 2708a_100000765925_100000735609 [0,0,0,1,0,0|3,0,0]=4 3272 B12R1.552 C=C(C)CNC(=O)NCC1CC1 273464a_100000735609_100000765925 [0,0,0,1,0,0|3,0,0]=4 3273 B12R1.552 C=C(C)CNC(=O)NCC1CC1 273464a_100000765925_100000735609 [0,0,0,1,0,0|3,0,0]=4 3274 B12R1.552 C=C(C)CNC(=O)NCC1CC1 512a_100000735609_100000765925 [0,0,0,1,0,0|3,0,0]=4 3275 B12R1.552 C=C(C)CNC(=O)NCC1CC1 512a_100000765925_100000735609 [0,0,0,1,0,0|3,0,0]=4 3276 B12R1.552 CC(=CCC(=O)CCC1CC1)C 1458a_100000756386_100000761012 [0,0,0,1,0,0|2,0,1]=4 3277 B12R1.552 CC(=CCC(=O)CCC1CC1)C 1458a_100011220947_100000694398 [0,0,0,1,0,0|2,0,1]=4 3278 B12R1.552 CC(=CCC(=O)NCC1CC1)C 11a_100000735609_100011220947 [0,0,0,1,0,0|2,0,1]=4 3279 B12R1.552 CC(=CCC(=O)NCC1CC1)C 1626a_100000735609_100011220947 [0,0,0,1,0,0|2,0,1]=4 3280 B12R1.552 CC(=CCC(=O)NCC1CC1)C 240690a_100000735609_100011220947 [0,0,0,1,0,0|2,0,1]=4 3281 B12R1.552 CC(=CCC(=O)NCC1CC1)C 527a_100000735609_100011220947 [0,0,0,1,0,0|2,0,1]=4 3282 B12R1.552 CC(=O)NCC(=O)CCC1CC1 1458a_100000194580_100000694398 [0,0,0,1,0,0|2,0,0]=3 3283 B12R1.552 CC(=O)NCC(=O)CCC1CO1 1458a_100000194580_100000732470 [0,0,0,1,0,0|3,0,0]=4 3284 B12R1.552 CC(=O)NCC(=O)NCC1CC1 11a_100000735609_100000194580 [0,0,0,1,0,0|2,0,0]=3 3285 B12R1.552 CC(=O)NCC(=O)NCC1CC1 1626a_100000735609_100000194580 [0,0,0,1,0,0|2,0,0]=3 3286 B12R1.552 CC(=O)NCC(=O)NCC1CC1 240690a_100000735609_100000194580 [0,0,0,1,0,0|2,0,0]=3 3287 B12R1.552 CC(=O)NCC(=O)NCC1CC1 527a_100000735609_100000194580 [0,0,0,1,0,0|2,0,0]=3 3288 B12R1.552 CC(=O)NCC(=O)NNC1CC1 22a_100000701032_100000194580 [0,0,0,1,0,0|3,0,0]=4 3289 B12R1.552 CC(=O)NNC(=O)CCC1CC1 22a_100000189765_100000756386 [0,0,0,1,0,0|3,0,0]=4 3290 B12R1.552 CC(=O)NNC(=O)NCC1CC1 273464a_100000735609_100000189765 [0,0,0,1,0,0|3,0,0]=4 3291 B12R1.552 CC(=O)NNC(=O)NCC1CC1 512a_100000189765_100000735609 [0,0,0,1,0,0|3,0,0]=4 3292 B12R1.552 CC(=O)OCC(=O)CCC1CC1 1458a_100000183556_100000694398 [0,0,0,1,0,0|2,0,0]=3 3293 B12R1.552 CC(=O)OCC(=O)CCC1CO1 1458a_100000183556_100000732470 [0,0,0,1,0,0|3,0,0]=4 3294 B12R1.552 CC(=O)OCC(=O)CNC1CC1 34a_100000212008_100000036994 [0,0,0,1,0,0|3,0,0]=4 3295 B12R1.552 CC(=O)OCC(=O)CSC1CC1 62a_100000036994_100000211595 [0,0,0,1,0,0|3,0,0]=4 3296 B12R1.552 CC(=O)OCC(=O)NCC1CC1 1626a_100000735609_100000183556 [0,0,0,1,0,0|2,0,0]=3 3297 B12R1.552 CC(=O)OCC(=O)NCC1CC1 240690a_100000735609_100000183556 [0,0,0,1,0,0|2,0,0]=3 3298 B12R1.552 CC(=O)OCC(=O)NCC1CC1 527a_100000735609_100000183556 [0,0,0,1,0,0|2,0,0]=3 3299 B12R1.552 CC(=O)OCC(=O)NNC1CC1 22a_100000701032_100000183556 [0,0,0,1,0,0|3,0,0]=4 3300 B12R1.552 CC(=O)SCC(=O)CCC1CC1 1458a_100000049016_100000694398 [0,0,0,1,0,0|2,0,0]=3 3301 B12R1.552 CC(=O)SCC(=O)CCC1CO1 1458a_100000049016_100000732470 [0,0,0,1,0,0|3,0,0]=4 3302 B12R1.552 CC(=O)SCC(=O)NCC1CC1 11a_100000735609_100000049016 [0,0,0,1,0,0|2,0,0]=3 3303 B12R1.552 CC(=O)SCC(=O)NCC1CC1 1626a_100000735609_100000049016 [0,0,0,1,0,0|2,0,0]=3 3304 B12R1.552 CC(=O)SCC(=O)NCC1CC1 240690a_100000735609_100000049016 [0,0,0,1,0,0|2,0,0]=3 3305 B12R1.552 CC(C)CCC(=O)CCC1CC1 1458a_100000181311_100000694398 [0,0,0,1,0,0|2,0,1]=4 3306 B12R1.552 CC(C)CCC(=O)CCC1CC1 1458a_100000756386_100000210312 [0,0,0,1,0,0|2,0,1]=4 3307 B12R1.552 CC(C)CCC(=O)NCC1CC1 11a_100000735609_100000181311 [0,0,0,1,0,0|2,0,1]=4 3308 B12R1.552 CC(C)CCC(=O)NCC1CC1 1626a_100000735609_100000181311 [0,0,0,1,0,0|2,0,1]=4 3309 B12R1.552 CC(C)CCC(=O)NCC1CC1 240690a_100000735609_100000181311 [0,0,0,1,0,0|2,0,1]=4 3310 B12R1.552 CC(C)CCC(=O)NCC1CC1 527a_100000735609_100000181311 [0,0,0,1,0,0|2,0,1]=4 3311 B12R1.552 CC(O)CCC(=O)CCC1CC1 1458a_100000756386_100012276601 [0,0,0,1,0,0|1,0,2]=4 3312 B12R1.552 CC(O)CCC(=O)NCC1CC1 1626a_100000735609_100000718519 [0,0,0,1,0,0|1,0,2]=4 3313 B12R1.552 CN(C)CCC(=O)NCC1CC1 11a_100000735609_100000689311 [0,0,0,1,0,0|3,0,0]=4 3314 B12R1.552 CN(C)CCC(=O)NCC1CC1 240690a_100000735609_100000689311 [0,0,0,1,0,0|3,0,0]=4 3315 B12R1.552 CN(C)CCC(=O)NCC1CC1 527a_100000735609_100000689311 [0,0,0,1,0,0|3,0,0]=4 3316 B12R1.552 C[S+](C)CCC(=O)CCC1CC1 1458a_100009452791_100000694398 [0,0,0,1,0,0|3,0,0]=4 3317 B12R1.552 C[S+](C)CCC(=O)NCC1CC1 11a_100000735609_100009452791 [0,0,0,1,0,0|3,0,0]=4 3318 B12R1.552 C[S+](C)CCC(=O)NCC1CC1 1626a_100000735609_100009452791 [0,0,0,1,0,0|3,0,0]=4 3319 B12R1.552 C[S+](C)CCC(=O)NCC1CC1 240690a_100000735609_100009452791 [0,0,0,1,0,0|3,0,0]=4 3320 B12R1.552 NC(=O)CCC(=O)CCC1CC1 1458a_100011215257_100000694398 [0,0,0,1,0,0|2,0,0]=3 3321 B12R1.552 NC(=O)CCC(=O)CCC1CO1 1458a_100011215257_100000732470 [0,0,0,1,0,0|3,0,0]=4 3322 B12R1.552 NC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100011215257 [0,0,0,1,0,0|2,0,0]=3 3323 B12R1.552 NC(=O)CCC(=O)NCC1CC1 527a_100000735609_100011215257 [0,0,0,1,0,0|2,0,0]=3 3324 B12R1.552 NC(=O)CCC(=O)NNC1CC1 22a_100000701032_100011215257 [0,0,0,1,0,0|3,0,0]=4 3325 B12R1.552 NC(=O)CNC(=O)CCC1CC1 11a_100000711301_100000756386 [0,0,0,1,0,0|3,0,0]=4 3326 B12R1.552 NC(=O)CNC(=O)CCC1CC1 240690a_100000711301_100000756386 [0,0,0,1,0,0|3,0,0]=4 3327 B12R1.552 NC(=O)CNC(=O)CCC1CC1 527a_100000711301_100000756386 [0,0,0,1,0,0|3,0,0]=4 3328 B12R1.552 NC(=O)CNC(=O)NCC1CC1 2708a_100000735609_100000711301 [0,0,0,1,0,0|3,0,0]=4 3329 B12R1.552 NC(=O)CNC(=O)NCC1CC1 273464a_100000711301_100000735609 [0,0,0,1,0,0|3,0,0]=4 3330 B12R1.552 NC(=O)CNC(=O)NCC1CC1 273464a_100000735609_100000711301 [0,0,0,1,0,0|3,0,0]=4 3331 B12R1.552 NC(=O)CNC(=O)NCC1CC1 512a_100000735609_100000711301 [0,0,0,1,0,0|3,0,0]=4 3332 B12R1.552 NC(=O)NCC(=O)CCC1CC1 1458a_100000184981_100000694398 [0,0,0,1,0,0|3,0,0]=4 3333 B12R1.552 NC(=O)NCC(=O)NCC1CC1 240690a_100000735609_100000184981 [0,0,0,1,0,0|3,0,0]=4 3334 B12R1.552 NC(=O)NCC(=O)NCC1CC1 527a_100000735609_100000184981 [0,0,0,1,0,0|3,0,0]=4 3335 B12R1.552 NC(=O)SCC(=O)NCC1CC1 240690a_100000735609_200015941356 [0,0,0,1,0,0|3,0,0]=4 3336 B12R1.552 O=C(CCC1CC1)CC[N+](=O)[O-] 1458a_200000064761_100000694398 [0,0,0,1,0,0|3,0,0]=4 3337 B12R1.552 O=C(CC[N+](=O)[O-])NCC1CC1 11a_100000735609_200000064761 [0,0,0,1,0,0|3,0,0]=4 3338 B12R1.552 O=C(CC[N+](=O)[O-])NCC1CC1 1626a_100000735609_200000064761 [0,0,0,1,0,0|3,0,0]=4 3339 B12R1.552 O=C(CC[N+](=O)[O-])NCC1CC1 240690a_100000735609_200000064761 [0,0,0,1,0,0|3,0,0]=4 3340 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,0,0,1,0,0|3,0,0]=4 3341 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,0,0,1,0,0|3,0,0]=4 3342 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,0,0,1,0,0|3,0,0]=4 3343 B12R1.1343 CC(=O)CNC1=NCCCCC1 1458a_100000016077_200000210301 [0,0,0,1,0,0|3,0,0]=4 3344 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,0,0,1,0,0|3,0,0]=4 3345 B12R1.1343 [13CH3]C(=O)CNC1=NCCCCC1 1458a_100000016077_200025704644 [0,0,0,1,0,0|3,0,0]=4 3346 B12R1.2132 CCCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210326 [0,0,0,1,0,0|2,0,1]=4 3347 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 11a_100000102301_100000692687 [0,0,0,1,0,0|2,0,1]=4 3348 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 1626a_100000102301_100000692687 [0,0,0,1,0,0|2,0,1]=4 3349 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 240690a_100000102301_100000692687 [0,0,0,1,0,0|2,0,1]=4 3350 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 527a_100000102301_100000692687 [0,0,0,1,0,0|2,0,1]=4 3351 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [0,0,0,0,1,0|2,0,1]=4 3352 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,0,0,0,1,0|2,0,1]=4 3353 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,0,0,0,1,0|2,0,0]=3 3354 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,0,0,0,1,0|3,0,0]=4 3355 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,0,0,0,1,0|3,0,0]=4 3356 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,0,0,0,1,0|3,0,0]=4 3357 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,0,0,0,1,0|3,0,0]=4 3358 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,0,0,0,1,0|3,0,0]=4 3359 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,0,0,0,1,0|3,0,0]=4 3360 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,0,0,0,1,0|3,0,0]=4 3361 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,0,0,0,1,0|2,0,1]=4 3362 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,0,0,0,1,0|1,0,0]=2 3363 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,0,0,0,1,0|1,0,0]=2 3364 B10R0.6 CCCC#CC(=O)CC(=O)N 1458a_200011218047_100000187820 [0,0,0,0,1,0|2,0,1]=4 3365 B10R0.6 CCCC#CC(=O)CC(=O)[O-] 1458a_200011218047_100020667443 [0,0,0,0,1,0|2,0,1]=4 3366 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [0,0,0,0,1,0|2,0,1]=4 3367 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [0,0,0,0,1,0|2,0,1]=4 3368 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,0,0,0,1,0|2,0,1]=4 3369 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,0,0,0,1,0|2,0,1]=4 3370 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,0,0,0,1,0|2,0,1]=4 3371 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,0,0,0,1,0|1,0,0]=2 3372 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,0,0,0,1,0|2,0,0]=3 3373 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,0,0,0,1,0|2,0,0]=3 3374 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,0,0,0,1,0|2,0,0]=3 3375 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,0,0,0,1,0|2,0,1]=4 3376 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,0,0,0,1,0|2,0,1]=4 3377 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,0,0,0,1,0|1,0,2]=4 3378 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,0,0,0,1,0|3,0,0]=4 3379 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,0,0,0,1,0|3,0,0]=4 3380 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,0,0,0,1,0|3,0,0]=4 3381 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,0,0,0,1,0|1,0,2]=4 3382 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,0,0,0,1,0|3,0,0]=4 3383 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,0,0,0,1,0|3,0,0]=4 3384 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,0,0,0,1,0|2,0,1]=4 3385 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,0,0,0,1,0|2,0,1]=4 3386 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,0,0,0,1,0|2,0,1]=4 3387 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,0,0,0,1,0|2,0,1]=4 3388 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,0,0,0,1,0|2,0,1]=4 3389 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,0,0,0,1,0|2,0,1]=4 3390 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,0,0,0,1,0|2,0,1]=4 3391 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,0,0,0,1,0|2,0,1]=4 3392 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,0,0,0,1,0|1,0,0]=2 3393 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,0,0,0,1,0|2,0,0]=3 3394 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,0,0,0,1,0|2,0,0]=3 3395 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,0,0,0,1,0|2,0,1]=4 3396 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,0,0,0,1,0|2,0,1]=4 3397 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,0,0,0,1,0|2,0,1]=4 3398 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,0,0,0,1,0|2,0,1]=4 3399 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,0,0,0,1,0|3,0,0]=4 3400 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,0,0,0,1,0|3,0,0]=4 3401 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,0,0,0,1,0|3,0,0]=4 3402 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,0,0,0,1,0|3,0,0]=4 3403 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,0,0,0,1,0|3,0,0]=4 3404 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,0,0,0,1,0|3,0,0]=4 3405 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,0,0,0,1,0|3,0,0]=4 3406 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,0,0,0,1,0|3,0,0]=4 3407 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,0,0,0,1,0|3,0,0]=4 3408 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,0,0,0,1,0|1,0,2]=4 3409 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,0,0,0,1,0|3,0,0]=4 3410 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,0,0,0,1,0|3,0,0]=4 3411 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,0,0,0,1,0|3,0,0]=4 3412 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,0,0,0,1,0|3,0,0]=4 3413 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,0,0,0,1,0|0,0,0]=1 3414 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,0,0,0,1,0|2,0,0]=3 3415 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,0,0,0,1,0|2,0,0]=3 3416 B10R0.6 CCCNNC(=O)CC(=O)N 22a_100000740057_100134613110 [0,0,0,0,1,0|3,0,0]=4 3417 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,0,0,0,1,0|3,0,0]=4 3418 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,0,0,0,1,0|3,0,0]=4 3419 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,0,0,0,1,0|3,0,0]=4 3420 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,0,0,0,1,0|3,0,0]=4 3421 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,0,0,0,1,0|3,0,0]=4 3422 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,0,0,0,1,0|3,0,0]=4 3423 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,0,0,0,1,0|3,0,0]=4 3424 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,0,0,0,1,0|3,0,0]=4 3425 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,0,0,0,1,0|3,0,0]=4 3426 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,0,0,0,1,0|3,0,0]=4 3427 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,0,0,0,1,0|3,0,0]=4 3428 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,0,0,0,1,0|1,0,0]=2 3429 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,0,0,0,1,0|3,0,0]=4 3430 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,0,0,0,1,0|3,0,0]=4 3431 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,0,0,0,1,0|3,0,0]=4 3432 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,0,0,0,1,0|2,0,0]=3 3433 B10R0.6 COCCNC(=O)CC(=O)N 240690a_100000209980_100134613110 [0,0,0,0,1,0|3,0,0]=4 3434 B10R0.6 COCCNC(=O)CC(=O)N 527a_100000209980_100134613110 [0,0,0,0,1,0|3,0,0]=4 3435 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,0,0,0,1,0|1,0,0]=2 3436 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,0,0,0,1,0|1,0,0]=2 3437 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [0,0,0,0,1,0|3,0,0]=4 3438 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [0,0,0,0,1,0|3,0,0]=4 3439 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,0,0,0,1,0|3,0,0]=4 3440 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,0,0,0,1,0|3,0,0]=4 3441 B10R0.6 CSCCNC(=O)CC(=O)N 240690a_100020590264_100134613110 [0,0,0,0,1,0|3,0,0]=4 3442 B10R0.6 CSCCNC(=O)CC(=O)N 527a_100020590264_100134613110 [0,0,0,0,1,0|3,0,0]=4 3443 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,0,0,0,1,0|1,0,0]=2 3444 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,0,0,0,1,0|1,0,0]=2 3445 B10R0.6 CSCCOC(=O)NC(=O)N 62a_200000210301_100000054987 [0,0,0,0,1,0|3,0,0]=4 3446 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,0,0,0,1,0|3,0,0]=4 3447 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,0,0,0,1,0|3,0,0]=4 3448 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,0,0,0,1,0|3,0,0]=4 3449 B10R0.6 NC(=O)CC(=O)NCCCF 240690a_100015189416_100134613110 [0,0,0,0,1,0|3,0,0]=4 3450 B10R0.6 NC(=O)CC(=O)NCCCF 527a_100015189416_100134613110 [0,0,0,0,1,0|3,0,0]=4 3451 B10R0.6 NC(=O)CC(=O)NCCCO 240690a_100000182051_100134613110 [0,0,0,0,1,0|3,0,0]=4 3452 B10R0.6 NC(=O)CC(=O)NCCCO 527a_100000182051_100134613110 [0,0,0,0,1,0|3,0,0]=4 3453 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,0,0,0,1,0|3,0,0]=4 3454 B10R0.6 [13CH3]SCCOC(=O)NC(=O)N 62a_200025704644_100000054987 [0,0,0,0,1,0|3,0,0]=4 3455 B12R0.233 C#CCCCC(=O)CCCC(=O)C 1458a_100000690238_100011215641 [0,0,0,0,0,1|1,0,2]=4 3456 B12R0.233 C#CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000731252 [0,0,0,0,0,1|1,0,2]=4 3457 B12R0.233 C#CCCCC(=O)CCNC(=O)C 1458a_100000690238_100000189650 [0,0,0,0,0,1|1,0,2]=4 3458 B12R0.233 C#CCCCC(=O)CCOC(=O)C 1458a_100000690238_100009814007 [0,0,0,0,0,1|1,0,2]=4 3459 B12R0.233 C#CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000731252 [0,0,0,0,0,1|1,0,2]=4 3460 B12R0.233 C#CCCNC(=O)CCNC(=O)C 11a_100000755551_100000183196 [0,0,0,0,0,1|1,0,2]=4 3461 B12R0.233 C#CCCNC(=O)CCNC(=O)C 1626a_100000755551_100000183196 [0,0,0,0,0,1|1,0,2]=4 3462 B12R0.233 C#CCCNC(=O)CCNC(=O)C 240690a_100000755551_100000183196 [0,0,0,0,0,1|1,0,2]=4 3463 B12R0.233 C#CCCNC(=O)CCNC(=O)C 527a_100000755551_100000183196 [0,0,0,0,0,1|1,0,2]=4 3464 B12R0.233 C#CCCNC(=O)CCSC(=O)C 1626a_100000755551_100000048949 [0,0,0,0,0,1|1,0,2]=4 3465 B12R0.233 C#CCCNC(=O)CCSC(=O)C 240690a_100000755551_100000048949 [0,0,0,0,0,1|1,0,2]=4 3466 B12R0.233 C=C(C)CNCC(=O)NCCOC 2230a_100000754632_100000748629 [0,0,0,0,0,1|3,0,0]=4 3467 B12R0.233 C=C(C)CNNC(=O)CCCCC 22a_100000729518_100000212188 [0,0,0,0,0,1|3,0,0]=4 3468 B12R0.233 C=C(C)CNNC(=O)NCCCC 273464a_100000102301_100000729518 [0,0,0,0,0,1|3,0,0]=4 3469 B12R0.233 C=C(C)CNNC(=O)NCCCC 512a_100000102301_100000729518 [0,0,0,0,0,1|3,0,0]=4 3470 B12R0.233 C=C(C)CNNC(=O)NCCCC 512a_100000729518_100000102301 [0,0,0,0,0,1|3,0,0]=4 3471 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [0,0,0,0,0,1|2,0,0]=3 3472 B12R0.233 C=C(C)COCC(=O)NCCCC 34a_100000210245_100000182744 [0,0,0,0,0,1|2,0,0]=3 3473 B12R0.233 C=C(C)COCC(=O)NCCOC 34a_100000210245_100000183275 [0,0,0,0,0,1|3,0,0]=4 3474 B12R0.233 C=C(C)COCC(=O)OCCCC 34a_100000210245_100000211628 [0,0,0,0,0,1|1,0,0]=2 3475 B12R0.233 C=C(C)COCC(=O)OCCOC 34a_100000210245_200000040189 [0,0,0,0,0,1|2,0,0]=3 3476 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_100000748629_200012276598 [0,0,0,0,0,1|2,0,0]=3 3477 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_200012276598_100000211660 [0,0,0,0,0,1|2,0,0]=3 3478 B12R0.233 C=C(C)CSCC(=O)NCCCC 62a_100000182744_100000211660 [0,0,0,0,0,1|2,0,0]=3 3479 B12R0.233 C=C(C)CSCC(=O)NCCCC 62a_100000748629_100000182744 [0,0,0,0,0,1|2,0,0]=3 3480 B12R0.233 C=C(C)CSCC(=O)NCCOC 62a_100000183275_100000211660 [0,0,0,0,0,1|3,0,0]=4 3481 B12R0.233 C=C(C)CSCC(=O)NCCOC 62a_100000748629_100000183275 [0,0,0,0,0,1|3,0,0]=4 3482 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000211628_100000211660 [0,0,0,0,0,1|1,0,0]=2 3483 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000748629_100000211628 [0,0,0,0,0,1|1,0,0]=2 3484 B12R0.233 C=C(C)CSCC(=O)OCCOC 62a_100000748629_200000040189 [0,0,0,0,0,1|2,0,0]=3 3485 B12R0.233 C=C(C)CSCC(=O)OCCOC 62a_200000040189_100000211660 [0,0,0,0,0,1|2,0,0]=3 3486 B12R0.233 C=C(F)COCC(=O)CCCCC 34a_200010262243_200012276598 [0,0,0,0,0,1|2,0,1]=4 3487 B12R0.233 C=C(F)COCC(=O)NCCCC 34a_200010262243_100000182744 [0,0,0,0,0,1|2,0,1]=4 3488 B12R0.233 C=C(F)COCC(=O)OCCCC 34a_200010262243_100000211628 [0,0,0,0,0,1|1,0,1]=3 3489 B12R0.233 C=C(F)COCC(=O)OCCOC 34a_200010262243_200000040189 [0,0,0,0,0,1|2,0,1]=4 3490 B12R0.233 C=C(F)CSCC(=O)CCCCC 62a_100000042424_200012276598 [0,0,0,0,0,1|2,0,1]=4 3491 B12R0.233 C=C(F)CSCC(=O)CCCCC 62a_200012276598_100000042424 [0,0,0,0,0,1|2,0,1]=4 3492 B12R0.233 C=C(F)CSCC(=O)NCCCC 62a_100000042424_100000182744 [0,0,0,0,0,1|2,0,1]=4 3493 B12R0.233 C=C(F)CSCC(=O)NCCCC 62a_100000182744_100000042424 [0,0,0,0,0,1|2,0,1]=4 3494 B12R0.233 C=C(F)CSCC(=O)OCCCC 62a_100000042424_100000211628 [0,0,0,0,0,1|1,0,1]=3 3495 B12R0.233 C=C(F)CSCC(=O)OCCCC 62a_100000211628_100000042424 [0,0,0,0,0,1|1,0,1]=3 3496 B12R0.233 C=C(F)CSCC(=O)OCCOC 62a_100000042424_200000040189 [0,0,0,0,0,1|2,0,1]=4 3497 B12R0.233 C=C(F)CSCC(=O)OCCOC 62a_200000040189_100000042424 [0,0,0,0,0,1|2,0,1]=4 3498 B12R0.233 C=CCCCC(=O)CCCC(=O)C 1458a_100000766728_100011215641 [0,0,0,0,0,1|1,0,2]=4 3499 B12R0.233 C=CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000757094 [0,0,0,0,0,1|1,0,2]=4 3500 B12R0.233 C=CCCCC(=O)CCNC(=O)C 1458a_100000766728_100000189650 [0,0,0,0,0,1|1,0,2]=4 3501 B12R0.233 C=CCCCC(=O)CCOC(=O)C 1458a_100000766728_100009814007 [0,0,0,0,0,1|1,0,2]=4 3502 B12R0.233 C=CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000757094 [0,0,0,0,0,1|1,0,2]=4 3503 B12R0.233 C=CCCNC(=O)CCNC(=O)C 11a_100015191253_100000183196 [0,0,0,0,0,1|1,0,2]=4 3504 B12R0.233 C=CCCNC(=O)CCNC(=O)C 1626a_100015191253_100000183196 [0,0,0,0,0,1|1,0,2]=4 3505 B12R0.233 C=CCCNC(=O)CCNC(=O)C 240690a_100015191253_100000183196 [0,0,0,0,0,1|1,0,2]=4 3506 B12R0.233 C=CCCNC(=O)CCNC(=O)C 527a_100015191253_100000183196 [0,0,0,0,0,1|1,0,2]=4 3507 B12R0.233 C=CCCNC(=O)CCSC(=O)C 1626a_100015191253_100000048949 [0,0,0,0,0,1|1,0,2]=4 3508 B12R0.233 C=CCCNC(=O)CCSC(=O)C 240690a_100015191253_100000048949 [0,0,0,0,0,1|1,0,2]=4 3509 B12R0.233 CC#CCNC(=O)CCNC(=O)C 11a_100000685387_100000183196 [0,0,0,0,0,1|1,0,2]=4 3510 B12R0.233 CC#CCNC(=O)CCNC(=O)C 1626a_100000685387_100000183196 [0,0,0,0,0,1|1,0,2]=4 3511 B12R0.233 CC#CCNC(=O)CCNC(=O)C 527a_100000685387_100000183196 [0,0,0,0,0,1|1,0,2]=4 3512 B12R0.233 CC#CCNC(=O)CCSC(=O)C 1626a_100000685387_100000048949 [0,0,0,0,0,1|1,0,2]=4 3513 B12R0.233 CC(=CCCC(=O)CCCCO)C 1458a_100000695505_100011217483 [0,0,0,0,0,1|3,0,0]=4 3514 B12R0.233 CC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011215641 [0,0,0,0,0,1|2,0,1]=4 3515 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,0,0,0,0,1|2,0,0]=3 3516 B12R0.233 CC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215641 [0,0,0,0,0,1|3,0,0]=4 3517 B12R0.233 CC(=O)NCCC(=O)CCCC#N 1458a_100000075515_100000189650 [0,0,0,0,0,1|2,0,1]=4 3518 B12R0.233 CC(=O)NCCC(=O)CCCC#N 1458a_100000183196_100000211468 [0,0,0,0,0,1|2,0,1]=4 3519 B12R0.233 CC(=O)NCCC(=O)CCCCF 1458a_100000183196_100000729493 [0,0,0,0,0,1|2,0,0]=3 3520 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000183196_100000210776 [0,0,0,0,0,1|2,0,0]=3 3521 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000695505_100000189650 [0,0,0,0,0,1|2,0,0]=3 3522 B12R0.233 CC(=O)NCCC(=O)COCCO 1458a_100000708028_100000189650 [0,0,0,0,0,1|3,0,0]=4 3523 B12R0.233 CC(=O)NCCC(=O)NCCC#N 11a_100000720768_100000183196 [0,0,0,0,0,1|2,0,1]=4 3524 B12R0.233 CC(=O)NCCC(=O)NCCC#N 1626a_100000720768_100000183196 [0,0,0,0,0,1|2,0,1]=4 3525 B12R0.233 CC(=O)NCCC(=O)NCCC#N 240690a_100000720768_100000183196 [0,0,0,0,0,1|2,0,1]=4 3526 B12R0.233 CC(=O)NCCC(=O)NCCC#N 527a_100000720768_100000183196 [0,0,0,0,0,1|2,0,1]=4 3527 B12R0.233 CC(=O)NCCC(=O)NCCCF 11a_100015189416_100000183196 [0,0,0,0,0,1|2,0,0]=3 3528 B12R0.233 CC(=O)NCCC(=O)NCCCF 1626a_100015189416_100000183196 [0,0,0,0,0,1|2,0,0]=3 3529 B12R0.233 CC(=O)NCCC(=O)NCCCF 240690a_100015189416_100000183196 [0,0,0,0,0,1|2,0,0]=3 3530 B12R0.233 CC(=O)NCCC(=O)NCCCF 527a_100015189416_100000183196 [0,0,0,0,0,1|2,0,0]=3 3531 B12R0.233 CC(=O)NCCC(=O)NCCCO 240690a_100000182051_100000183196 [0,0,0,0,0,1|2,0,0]=3 3532 B12R0.233 CC(=O)NCCC(=O)NCCCO 527a_100000182051_100000183196 [0,0,0,0,0,1|2,0,0]=3 3533 B12R0.233 CC(=O)NCCC(=O)NNCCO 22a_100000210001_100000183196 [0,0,0,0,0,1|3,0,0]=4 3534 B12R0.233 CC(=O)OCCC(=O)CCCC#N 1458a_100000075515_100009814007 [0,0,0,0,0,1|2,0,1]=4 3535 B12R0.233 CC(=O)OCCC(=O)CCCCO 1458a_100000695505_100009814007 [0,0,0,0,0,1|2,0,0]=3 3536 B12R0.233 CC(=O)OCCC(=O)COCCO 1458a_100000708028_100009814007 [0,0,0,0,0,1|3,0,0]=4 3537 B12R0.233 CC(=O)SCCC(=O)CCCC#N 1458a_100000048949_100000211468 [0,0,0,0,0,1|2,0,1]=4 3538 B12R0.233 CC(=O)SCCC(=O)CCCCF 1458a_100000048949_100000729493 [0,0,0,0,0,1|2,0,0]=3 3539 B12R0.233 CC(=O)SCCC(=O)CCCCO 1458a_100000048949_100000210776 [0,0,0,0,0,1|2,0,0]=3 3540 B12R0.233 CC(=O)SCCC(=O)NCCC#N 1626a_100000720768_100000048949 [0,0,0,0,0,1|2,0,1]=4 3541 B12R0.233 CC(=O)SCCC(=O)NCCC#N 240690a_100000720768_100000048949 [0,0,0,0,0,1|2,0,1]=4 3542 B12R0.233 CC(=O)SCCC(=O)NCCCF 1626a_100015189416_100000048949 [0,0,0,0,0,1|2,0,0]=3 3543 B12R0.233 CC(=O)SCCC(=O)NCCCF 240690a_100015189416_100000048949 [0,0,0,0,0,1|2,0,0]=3 3544 B12R0.233 CC(=O)SCCC(=O)NCCCO 240690a_100000182051_100000048949 [0,0,0,0,0,1|2,0,0]=3 3545 B12R0.233 CC/C=C/CC(=O)CCCC(=O)C 1458a_100016274230_100011215641 [0,0,0,0,0,1|1,0,2]=4 3546 B12R0.233 CC/C=C/CC(=O)CCNC(=O)C 1458a_100016274230_100000189650 [0,0,0,0,0,1|1,0,2]=4 3547 B12R0.233 CC/C=C/CC(=O)CCOC(=O)C 1458a_100016274230_100009814007 [0,0,0,0,0,1|1,0,2]=4 3548 B12R0.233 CC/C=C\CC(=O)CCNC(=O)C 1458a_100000183196_100103147603 [0,0,0,0,0,1|1,0,2]=4 3549 B12R0.233 CC/C=C\CC(=O)CCSC(=O)C 1458a_100000048949_100103147603 [0,0,0,0,0,1|1,0,2]=4 3550 B12R0.233 CCC#CCC(=O)CCNC(=O)C 1458a_100000183196_100009813939 [0,0,0,0,0,1|1,0,2]=4 3551 B12R0.233 CCC#CCC(=O)CCSC(=O)C 1458a_100000048949_100009813939 [0,0,0,0,0,1|1,0,2]=4 3552 B12R0.233 CCCC#CC(=O)CCC=C(C)C 1458a_200011218047_100011217483 [0,0,0,0,0,1|2,0,1]=4 3553 B12R0.233 CCCC#CC(=O)CCCC(=O)C 1458a_200011218047_100011215641 [0,0,0,0,0,1|1,0,1]=3 3554 B12R0.233 CCCC#CC(=O)CCCC(=O)N 1458a_200011218047_100102525003 [0,0,0,0,0,1|2,0,1]=4 3555 B12R0.233 CCCC#CC(=O)CCNC(=O)C 1458a_200011218047_100000189650 [0,0,0,0,0,1|1,0,1]=3 3556 B12R0.233 CCCC#CC(=O)CCNC(=O)N 1458a_200011218047_200000034859 [0,0,0,0,0,1|2,0,1]=4 3557 B12R0.233 CCCC#CC(=O)CCOC(=O)C 1458a_200011218047_100009814007 [0,0,0,0,0,1|1,0,1]=3 3558 B12R0.233 CCCC#CC(=O)CCOC(=O)N 1458a_200011218047_200011214921 [0,0,0,0,0,1|2,0,1]=4 3559 B12R0.233 CCCC#CC(=O)NCCC(=O)N 240690a_100000740010_200011218047 [0,0,0,0,0,1|2,0,1]=4 3560 B12R0.233 CCCC=CC(=O)CCC=C(C)C 1458a_100000212230_100011217483 [0,0,0,0,0,1|2,0,1]=4 3561 B12R0.233 CCCC=CC(=O)CCCC(=O)C 1458a_100000212230_100011215641 [0,0,0,0,0,1|1,0,1]=3 3562 B12R0.233 CCCC=CC(=O)CCCC(=O)N 1458a_100000212230_100102525003 [0,0,0,0,0,1|2,0,1]=4 3563 B12R0.233 CCCC=CC(=O)CCNC(=O)C 1458a_100000212230_100000189650 [0,0,0,0,0,1|1,0,1]=3 3564 B12R0.233 CCCC=CC(=O)CCNC(=O)N 1458a_100000212230_200000034859 [0,0,0,0,0,1|2,0,1]=4 3565 B12R0.233 CCCC=CC(=O)CCOC(=O)C 1458a_100000212230_100009814007 [0,0,0,0,0,1|1,0,1]=3 3566 B12R0.233 CCCC=CC(=O)CCOC(=O)N 1458a_100000212230_200011214921 [0,0,0,0,0,1|2,0,1]=4 3567 B12R0.233 CCCC=CC(=O)NCCC(=O)N 11a_100000740010_100000212230 [0,0,0,0,0,1|2,0,1]=4 3568 B12R0.233 CCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100000212230 [0,0,0,0,0,1|2,0,1]=4 3569 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,0,0,0,0,1|2,0,0]=3 3570 B12R0.233 CCCCCC(=O)CCC=C(F)F 1458a_100000212188_200009816681 [0,0,0,0,0,1|3,0,0]=4 3571 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,0,0,0,0,1|1,0,0]=2 3572 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,0,0,0,0,1|2,0,0]=3 3573 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,0,0,0,0,1|2,0,1]=4 3574 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,0,0,0,0,1|2,0,1]=4 3575 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,0,0,0,0,1|1,0,2]=4 3576 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [0,0,0,0,0,1|3,0,0]=4 3577 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,0,0,0,0,1|3,0,0]=4 3578 B12R0.233 CCCCCC(=O)CCN=C(N)N 1458a_100000033030_100000210326 [0,0,0,0,0,1|3,0,0]=4 3579 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,0,0,0,0,1|1,0,0]=2 3580 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,0,0,0,0,1|1,0,0]=2 3581 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,0,0,0,0,1|2,0,0]=3 3582 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,0,0,0,0,1|2,0,0]=3 3583 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,0,0,0,0,1|1,0,0]=2 3584 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,0,0,0,0,1|2,0,0]=3 3585 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,0,0,0,0,1|2,0,1]=4 3586 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,0,0,0,0,1|1,0,0]=2 3587 B12R0.233 CCCCCC(=O)CCSC(C)C 1458a_100000212188_100000730970 [0,0,0,0,0,1|2,0,1]=4 3588 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,0,0,0,0,1|2,0,0]=3 3589 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,0,0,0,0,1|2,0,0]=3 3590 B12R0.233 CCCCCC(=O)CNCC(C)C 2230a_100000210953_200012276598 [0,0,0,0,0,1|2,0,1]=4 3591 B12R0.233 CCCCCC(=O)CNCC(C)C 34a_100000210953_200012276598 [0,0,0,0,0,1|2,0,1]=4 3592 B12R0.233 CCCCCC(=O)CNCC(C)O 2230a_100000210904_200012276598 [0,0,0,0,0,1|1,0,2]=4 3593 B12R0.233 CCCCCC(=O)CNCC(C)O 34a_100000210904_200012276598 [0,0,0,0,0,1|1,0,2]=4 3594 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,0,0,0,0,1|1,0,0]=2 3595 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,0,0,0,0,1|2,0,0]=3 3596 B12R0.233 CCCCCC(=O)COCC(C)Br 34a_100012180447_200012276598 [0,0,0,0,0,1|2,0,1]=4 3597 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [0,0,0,0,0,1|2,0,1]=4 3598 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [0,0,0,0,0,1|2,0,1]=4 3599 B12R0.233 CCCCCC(=O)COCC(C)F 34a_100015925927_200012276598 [0,0,0,0,0,1|2,0,1]=4 3600 B12R0.233 CCCCCC(=O)COC[C@@H](C)Cl 34a_100016084084_200012276598 [0,0,0,0,0,1|2,0,1]=4 3601 B12R0.233 CCCCCC(=O)COC[C@@H](C)N 34a_100000737577_200012276598 [0,0,0,0,0,1|2,0,1]=4 3602 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,0,0,0,0,1|2,0,0]=3 3603 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,0,0,0,0,1|2,0,0]=3 3604 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,0,0,0,0,1|2,0,0]=3 3605 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,0,0,0,0,1|2,0,0]=3 3606 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_100000210624_200012276598 [0,0,0,0,0,1|2,0,1]=4 3607 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_200012276598_100000210760 [0,0,0,0,0,1|2,0,1]=4 3608 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_100011218427_200012276598 [0,0,0,0,0,1|1,0,2]=4 3609 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_200012276598_100011218427 [0,0,0,0,0,1|1,0,2]=4 3610 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_100009817552_200012276598 [0,0,0,0,0,1|1,0,2]=4 3611 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_200012276598_100009817552 [0,0,0,0,0,1|1,0,2]=4 3612 B12R0.233 CCCCCC(=O)CSC[N+](=O)[O-] 62a_200012276598_100000761209 [0,0,0,0,0,1|3,0,0]=4 3613 B12R0.233 CCCCCC(=O)NCC=C(C)C 11a_100000718196_100000212188 [0,0,0,0,0,1|2,0,1]=4 3614 B12R0.233 CCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000212188 [0,0,0,0,0,1|2,0,1]=4 3615 B12R0.233 CCCCCC(=O)NCC=C(C)C 527a_100000718196_100000212188 [0,0,0,0,0,1|2,0,1]=4 3616 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,0,0,0,0,1|2,0,0]=3 3617 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,0,0,0,0,1|2,0,0]=3 3618 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,0,0,0,0,1|2,0,0]=3 3619 B12R0.233 CCCCCC(=O)NCCC(C)C 11a_100000210545_100000212188 [0,0,0,0,0,1|2,0,1]=4 3620 B12R0.233 CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000212188 [0,0,0,0,0,1|2,0,1]=4 3621 B12R0.233 CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000212188 [0,0,0,0,0,1|2,0,1]=4 3622 B12R0.233 CCCCCC(=O)NCCC(C)C 527a_100000210545_100000212188 [0,0,0,0,0,1|2,0,1]=4 3623 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,0,0,0,0,1|1,0,2]=4 3624 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,0,0,0,0,1|1,0,2]=4 3625 B12R0.233 CCCCCC(=O)NCCN(C)C 240690a_100000210585_100000212188 [0,0,0,0,0,1|3,0,0]=4 3626 B12R0.233 CCCCCC(=O)NCCN(C)C 527a_100000210585_100000212188 [0,0,0,0,0,1|3,0,0]=4 3627 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,0,0,0,0,1|2,0,1]=4 3628 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,0,0,0,0,1|2,0,1]=4 3629 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,0,0,0,0,1|2,0,1]=4 3630 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,0,0,0,0,1|2,0,1]=4 3631 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,0,0,0,0,1|2,0,1]=4 3632 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,0,0,0,0,1|3,0,0]=4 3633 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,0,0,0,0,1|3,0,0]=4 3634 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,0,0,0,0,1|3,0,0]=4 3635 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,0,0,0,0,1|3,0,0]=4 3636 B12R0.233 CCCCNC(=O)CCCC(C)C 11a_100000102301_100011216857 [0,0,0,0,0,1|2,0,1]=4 3637 B12R0.233 CCCCNC(=O)CCCC(C)C 1626a_100000102301_100011216857 [0,0,0,0,0,1|2,0,1]=4 3638 B12R0.233 CCCCNC(=O)CCCC(C)C 240690a_100000102301_100011216857 [0,0,0,0,0,1|2,0,1]=4 3639 B12R0.233 CCCCNC(=O)CCCC(C)C 527a_100000102301_100011216857 [0,0,0,0,0,1|2,0,1]=4 3640 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,0,0,0,0,1|1,0,2]=4 3641 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,0,0,0,0,1|1,0,2]=4 3642 B12R0.233 CCCCNC(=O)CCCN(C)C 11a_100000102301_100000740757 [0,0,0,0,0,1|3,0,0]=4 3643 B12R0.233 CCCCNC(=O)CCCN(C)C 240690a_100000102301_100000740757 [0,0,0,0,0,1|3,0,0]=4 3644 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 11a_100000102301_100016109205 [0,0,0,0,0,1|3,0,0]=4 3645 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000102301_100016109205 [0,0,0,0,0,1|3,0,0]=4 3646 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000102301_100016109205 [0,0,0,0,0,1|3,0,0]=4 3647 B12R0.233 CCCCNC(=O)CCC[N+](=O)[O-] 527a_100000102301_100016109205 [0,0,0,0,0,1|3,0,0]=4 3648 B12R0.233 CCCCNC(=O)CCN=C(N)N 240690a_100000102301_100000033030 [0,0,0,0,0,1|3,0,0]=4 3649 B12R0.233 CCCCNC(=O)CCNC(=O)C 11a_100000102301_100000183196 [0,0,0,0,0,1|1,0,0]=2 3650 B12R0.233 CCCCNC(=O)CCNC(=O)C 1626a_100000102301_100000183196 [0,0,0,0,0,1|1,0,0]=2 3651 B12R0.233 CCCCNC(=O)CCNC(=O)C 240690a_100000102301_100000183196 [0,0,0,0,0,1|1,0,0]=2 3652 B12R0.233 CCCCNC(=O)CCNC(=O)C 527a_100000102301_100000183196 [0,0,0,0,0,1|1,0,0]=2 3653 B12R0.233 CCCCNC(=O)CCNC(=O)N 240690a_100000102301_100000181464 [0,0,0,0,0,1|2,0,0]=3 3654 B12R0.233 CCCCNC(=O)CCNC(=O)N 527a_100000102301_100000181464 [0,0,0,0,0,1|2,0,0]=3 3655 B12R0.233 CCCCNC(=O)CCSC(=O)C 1626a_100000102301_100000048949 [0,0,0,0,0,1|1,0,0]=2 3656 B12R0.233 CCCCNC(=O)CCSC(=O)C 240690a_100000102301_100000048949 [0,0,0,0,0,1|1,0,0]=2 3657 B12R0.233 CCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000182744 [0,0,0,0,0,1|2,0,0]=3 3658 B12R0.233 CCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000182744 [0,0,0,0,0,1|2,0,0]=3 3659 B12R0.233 CCCCNC(=O)CNCC(C)C 2230a_100000210953_100000182744 [0,0,0,0,0,1|2,0,1]=4 3660 B12R0.233 CCCCNC(=O)CNCC(C)C 34a_100000210953_100000182744 [0,0,0,0,0,1|2,0,1]=4 3661 B12R0.233 CCCCNC(=O)CNCC(C)O 2230a_100000210904_100000182744 [0,0,0,0,0,1|1,0,2]=4 3662 B12R0.233 CCCCNC(=O)CNCC(C)O 34a_100000210904_100000182744 [0,0,0,0,0,1|1,0,2]=4 3663 B12R0.233 CCCCNC(=O)COCC(=O)C 34a_100000211253_100000182744 [0,0,0,0,0,1|1,0,0]=2 3664 B12R0.233 CCCCNC(=O)COCC(=O)N 1626a_100000102301_100011219004 [0,0,0,0,0,1|2,0,0]=3 3665 B12R0.233 CCCCNC(=O)COCC(=O)N 240690a_100000102301_100011219004 [0,0,0,0,0,1|2,0,0]=3 3666 B12R0.233 CCCCNC(=O)COCC(=O)N 527a_100000102301_100011219004 [0,0,0,0,0,1|2,0,0]=3 3667 B12R0.233 CCCCNC(=O)COCC(C)Br 34a_100012180447_100000182744 [0,0,0,0,0,1|2,0,1]=4 3668 B12R0.233 CCCCNC(=O)COCC(C)C 11a_100000102301_100011223364 [0,0,0,0,0,1|2,0,1]=4 3669 B12R0.233 CCCCNC(=O)COCC(C)C 1626a_100000102301_100011223364 [0,0,0,0,0,1|2,0,1]=4 3670 B12R0.233 CCCCNC(=O)COCC(C)C 240690a_100000102301_100011223364 [0,0,0,0,0,1|2,0,1]=4 3671 B12R0.233 CCCCNC(=O)COCC(C)C 34a_100000210257_100000182744 [0,0,0,0,0,1|2,0,1]=4 3672 B12R0.233 CCCCNC(=O)COCC(C)C 527a_100000102301_100011223364 [0,0,0,0,0,1|2,0,1]=4 3673 B12R0.233 CCCCNC(=O)COCC(C)F 34a_100015925927_100000182744 [0,0,0,0,0,1|2,0,1]=4 3674 B12R0.233 CCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000182744 [0,0,0,0,0,1|2,0,1]=4 3675 B12R0.233 CCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000182744 [0,0,0,0,0,1|2,0,1]=4 3676 B12R0.233 CCCCNC(=O)CSCC(=O)N 11a_100000102301_100000150265 [0,0,0,0,0,1|2,0,0]=3 3677 B12R0.233 CCCCNC(=O)CSCC(=O)N 240690a_100000102301_100000150265 [0,0,0,0,0,1|2,0,0]=3 3678 B12R0.233 CCCCNC(=O)CSCC(=O)N 527a_100000102301_100000150265 [0,0,0,0,0,1|2,0,0]=3 3679 B12R0.233 CCCCNC(=O)CSCC(=O)N 62a_100000182744_100000747473 [0,0,0,0,0,1|2,0,0]=3 3680 B12R0.233 CCCCNC(=O)CSCC(=O)N 62a_100000747473_100000182744 [0,0,0,0,0,1|2,0,0]=3 3681 B12R0.233 CCCCNC(=O)CSCC(=O)[O-] 62a_100000182744_100020667443 [0,0,0,0,0,1|2,0,0]=3 3682 B12R0.233 CCCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000182744 [0,0,0,0,0,1|2,0,0]=3 3683 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000182744_100000210760 [0,0,0,0,0,1|2,0,1]=4 3684 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000210624_100000182744 [0,0,0,0,0,1|2,0,1]=4 3685 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100000182744_100011218427 [0,0,0,0,0,1|1,0,2]=4 3686 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100011218427_100000182744 [0,0,0,0,0,1|1,0,2]=4 3687 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100000182744_100009817552 [0,0,0,0,0,1|1,0,2]=4 3688 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000182744 [0,0,0,0,0,1|1,0,2]=4 3689 B12R0.233 CCCCNC(=O)CSC[N+](=O)[O-] 62a_100000182744_100000761209 [0,0,0,0,0,1|3,0,0]=4 3690 B12R0.233 CCCCNC(=O)NCC=C(C)C 2708a_100000102301_100000718196 [0,0,0,0,0,1|2,0,1]=4 3691 B12R0.233 CCCCNC(=O)NCC=C(C)C 2708a_100000718196_100000102301 [0,0,0,0,0,1|2,0,1]=4 3692 B12R0.233 CCCCNC(=O)NCC=C(C)C 273464a_100000102301_100000718196 [0,0,0,0,0,1|2,0,1]=4 3693 B12R0.233 CCCCNC(=O)NCC=C(C)C 273464a_100000718196_100000102301 [0,0,0,0,0,1|2,0,1]=4 3694 B12R0.233 CCCCNC(=O)NCC=C(C)C 512a_100000102301_100000718196 [0,0,0,0,0,1|2,0,1]=4 3695 B12R0.233 CCCCNC(=O)NCC=C(C)C 512a_100000718196_100000102301 [0,0,0,0,0,1|2,0,1]=4 3696 B12R0.233 CCCCNC(=O)NCCC(=O)N 2708a_100000102301_100000740010 [0,0,0,0,0,1|2,0,0]=3 3697 B12R0.233 CCCCNC(=O)NCCC(=O)N 273464a_100000102301_100000740010 [0,0,0,0,0,1|2,0,0]=3 3698 B12R0.233 CCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000102301 [0,0,0,0,0,1|2,0,0]=3 3699 B12R0.233 CCCCNC(=O)NCCC(=O)N 512a_100000102301_100000740010 [0,0,0,0,0,1|2,0,0]=3 3700 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000102301_100000210545 [0,0,0,0,0,1|2,0,1]=4 3701 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000210545_100000102301 [0,0,0,0,0,1|2,0,1]=4 3702 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000102301_100000210545 [0,0,0,0,0,1|2,0,1]=4 3703 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000210545_100000102301 [0,0,0,0,0,1|2,0,1]=4 3704 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000102301_100000210545 [0,0,0,0,0,1|2,0,1]=4 3705 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000210545_100000102301 [0,0,0,0,0,1|2,0,1]=4 3706 B12R0.233 CCCCNC(=O)NCCC(C)O 2708a_100000102301_200000755665 [0,0,0,0,0,1|1,0,2]=4 3707 B12R0.233 CCCCNC(=O)NCCC(C)O 273464a_200000755665_100000102301 [0,0,0,0,0,1|1,0,2]=4 3708 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_100000102301_200000755665 [0,0,0,0,0,1|1,0,2]=4 3709 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_200000755665_100000102301 [0,0,0,0,0,1|1,0,2]=4 3710 B12R0.233 CCCCNC(=O)NCCN(C)C 2708a_100000102301_100000210585 [0,0,0,0,0,1|3,0,0]=4 3711 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000102301_100000210585 [0,0,0,0,0,1|3,0,0]=4 3712 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000210585_100000102301 [0,0,0,0,0,1|3,0,0]=4 3713 B12R0.233 CCCCNC(=O)NCCN(C)C 512a_100000102301_100000210585 [0,0,0,0,0,1|3,0,0]=4 3714 B12R0.233 CCCCOC(=O)CNCC(=O)N 2230a_100000711301_100000211628 [0,0,0,0,0,1|1,0,0]=2 3715 B12R0.233 CCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000211628 [0,0,0,0,0,1|1,0,0]=2 3716 B12R0.233 CCCCOC(=O)CNCC(C)C 2230a_100000210953_100000211628 [0,0,0,0,0,1|1,0,1]=3 3717 B12R0.233 CCCCOC(=O)CNCC(C)C 34a_100000210953_100000211628 [0,0,0,0,0,1|1,0,1]=3 3718 B12R0.233 CCCCOC(=O)CNCC(C)O 2230a_100000210904_100000211628 [0,0,0,0,0,1|0,0,2]=3 3719 B12R0.233 CCCCOC(=O)CNCC(C)O 34a_100000210904_100000211628 [0,0,0,0,0,1|0,0,2]=3 3720 B12R0.233 CCCCOC(=O)CNCC(F)F 34a_100000765723_100000211628 [0,0,0,0,0,1|2,0,1]=4 3721 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,0,0,0,0,1|0,0,0]=1 3722 B12R0.233 CCCCOC(=O)COCC(C)Br 34a_100012180447_100000211628 [0,0,0,0,0,1|1,0,1]=3 3723 B12R0.233 CCCCOC(=O)COCC(C)C 34a_100000210257_100000211628 [0,0,0,0,0,1|1,0,1]=3 3724 B12R0.233 CCCCOC(=O)COCC(C)F 34a_100015925927_100000211628 [0,0,0,0,0,1|1,0,1]=3 3725 B12R0.233 CCCCOC(=O)COCC(F)F 34a_100000743014_100000211628 [0,0,0,0,0,1|2,0,1]=4 3726 B12R0.233 CCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000211628 [0,0,0,0,0,1|1,0,1]=3 3727 B12R0.233 CCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000211628 [0,0,0,0,0,1|1,0,1]=3 3728 B12R0.233 CCCCOC(=O)CSCC(=O)N 62a_100000211628_100000747473 [0,0,0,0,0,1|1,0,0]=2 3729 B12R0.233 CCCCOC(=O)CSCC(=O)N 62a_100000747473_100000211628 [0,0,0,0,0,1|1,0,0]=2 3730 B12R0.233 CCCCOC(=O)CSCC(=O)[O-] 62a_100000211628_100020667443 [0,0,0,0,0,1|1,0,0]=2 3731 B12R0.233 CCCCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000211628 [0,0,0,0,0,1|1,0,0]=2 3732 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000210624_100000211628 [0,0,0,0,0,1|1,0,1]=3 3733 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000211628_100000210760 [0,0,0,0,0,1|1,0,1]=3 3734 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100000211628_100011218427 [0,0,0,0,0,1|0,0,2]=3 3735 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100011218427_100000211628 [0,0,0,0,0,1|0,0,2]=3 3736 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100000211628_100011934356 [0,0,0,0,0,1|2,0,1]=4 3737 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100011934356_100000211628 [0,0,0,0,0,1|2,0,1]=4 3738 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100000211628_100009817552 [0,0,0,0,0,1|0,0,2]=3 3739 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000211628 [0,0,0,0,0,1|0,0,2]=3 3740 B12R0.233 CCCCOC(=O)CSC[N+](=O)[O-] 62a_100000211628_100000761209 [0,0,0,0,0,1|2,0,0]=3 3741 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,0,0,0,0,1|2,0,1]=4 3742 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,0,0,0,0,1|2,0,1]=4 3743 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,0,0,0,0,1|2,0,1]=4 3744 B12R0.233 CCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210303 [0,0,0,0,0,1|3,0,0]=4 3745 B12R0.233 CCCNNC(=O)CCNC(=O)C 22a_100000740057_100000183196 [0,0,0,0,0,1|2,0,0]=3 3746 B12R0.233 CCCNNC(=O)CCNC(=O)N 22a_100000740057_100000181464 [0,0,0,0,0,1|3,0,0]=4 3747 B12R0.233 CCCNNC(=O)COCC(=O)N 22a_100000740057_100011219004 [0,0,0,0,0,1|3,0,0]=4 3748 B12R0.233 CCCNNC(=O)CSCC(=O)N 22a_100000740057_100000150265 [0,0,0,0,0,1|3,0,0]=4 3749 B12R0.233 CCCNNC(=O)NCCC(=O)N 273464a_100000740010_100000740057 [0,0,0,0,0,1|3,0,0]=4 3750 B12R0.233 CCCNNC(=O)NCCC(=O)N 512a_100000740057_100000740010 [0,0,0,0,0,1|3,0,0]=4 3751 B12R0.233 CCCOCC(=O)CCC=C(C)C 1458a_100000745993_100011217483 [0,0,0,0,0,1|3,0,0]=4 3752 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,0,0,0,0,1|2,0,0]=3 3753 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,0,0,0,0,1|3,0,0]=4 3754 B12R0.233 CCCOCC(=O)CCNC(=O)C 1458a_100000745993_100000189650 [0,0,0,0,0,1|2,0,0]=3 3755 B12R0.233 CCCOCC(=O)CCNC(=O)N 1458a_100000745993_200000034859 [0,0,0,0,0,1|3,0,0]=4 3756 B12R0.233 CCCOCC(=O)CCOC(=O)C 1458a_100000745993_100009814007 [0,0,0,0,0,1|2,0,0]=3 3757 B12R0.233 CCCOCC(=O)CCOC(=O)N 1458a_100000745993_200011214921 [0,0,0,0,0,1|3,0,0]=4 3758 B12R0.233 CCCOCC(=O)NCCC(=O)N 11a_100000740010_100000745993 [0,0,0,0,0,1|3,0,0]=4 3759 B12R0.233 CCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000745993 [0,0,0,0,0,1|3,0,0]=4 3760 B12R0.233 CCCOCC(=O)NCCC(=O)N 527a_100000740010_100000745993 [0,0,0,0,0,1|3,0,0]=4 3761 B12R0.233 CCCSCC(=O)CCC=C(C)C 1458a_100000217233_100011217483 [0,0,0,0,0,1|3,0,0]=4 3762 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,0,0,0,0,1|2,0,0]=3 3763 B12R0.233 CCCSCC(=O)CCCC(=O)N 1458a_100000217233_100102525003 [0,0,0,0,0,1|3,0,0]=4 3764 B12R0.233 CCCSCC(=O)CCNC(=O)C 1458a_100000217233_100000189650 [0,0,0,0,0,1|2,0,0]=3 3765 B12R0.233 CCCSCC(=O)CCNC(=O)N 1458a_100000217233_200000034859 [0,0,0,0,0,1|3,0,0]=4 3766 B12R0.233 CCCSCC(=O)CCOC(=O)C 1458a_100000217233_100009814007 [0,0,0,0,0,1|2,0,0]=3 3767 B12R0.233 CCCSCC(=O)CCOC(=O)N 1458a_100000217233_200011214921 [0,0,0,0,0,1|3,0,0]=4 3768 B12R0.233 CCCSCC(=O)NCCC(=O)N 11a_100000740010_100000217233 [0,0,0,0,0,1|3,0,0]=4 3769 B12R0.233 CCCSCC(=O)NCCC(=O)N 240690a_100000740010_100000217233 [0,0,0,0,0,1|3,0,0]=4 3770 B12R0.233 CCCSCC(=O)NCCC(=O)N 527a_100000740010_100000217233 [0,0,0,0,0,1|3,0,0]=4 3771 B12R0.233 CCOC=CC(=O)CCCC(=O)C 1458a_100016266692_100011215641 [0,0,0,0,0,1|2,0,1]=4 3772 B12R0.233 CCOC=CC(=O)CCNC(=O)C 1458a_100016266692_100000189650 [0,0,0,0,0,1|2,0,1]=4 3773 B12R0.233 CCOC=CC(=O)CCOC(=O)C 1458a_100016266692_100009814007 [0,0,0,0,0,1|2,0,1]=4 3774 B12R0.233 CCOCCC(=O)CCC=C(C)C 1458a_100000749530_100011217483 [0,0,0,0,0,1|3,0,0]=4 3775 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,0,0,0,0,1|2,0,0]=3 3776 B12R0.233 CCOCCC(=O)CCCC(=O)N 1458a_100000749530_100102525003 [0,0,0,0,0,1|3,0,0]=4 3777 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215890 [0,0,0,0,0,1|2,0,0]=3 3778 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000749530_100000189650 [0,0,0,0,0,1|2,0,0]=3 3779 B12R0.233 CCOCCC(=O)CCNC(=O)N 1458a_100000181464_100011215890 [0,0,0,0,0,1|3,0,0]=4 3780 B12R0.233 CCOCCC(=O)CCNC(=O)N 1458a_100000749530_200000034859 [0,0,0,0,0,1|3,0,0]=4 3781 B12R0.233 CCOCCC(=O)CCOC(=O)C 1458a_100000749530_100009814007 [0,0,0,0,0,1|2,0,0]=3 3782 B12R0.233 CCOCCC(=O)CCOC(=O)N 1458a_100000749530_200011214921 [0,0,0,0,0,1|3,0,0]=4 3783 B12R0.233 CCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215890 [0,0,0,0,0,1|2,0,0]=3 3784 B12R0.233 CCOCCC(=O)COCC(=O)N 1458a_100011219004_100011215890 [0,0,0,0,0,1|3,0,0]=4 3785 B12R0.233 CCOCCC(=O)NCCC(=O)N 11a_100000740010_100000749530 [0,0,0,0,0,1|3,0,0]=4 3786 B12R0.233 CCOCCC(=O)NCCC(=O)N 240690a_100000740010_100000749530 [0,0,0,0,0,1|3,0,0]=4 3787 B12R0.233 CCOCCC(=O)NCCC(=O)N 527a_100000740010_100000749530 [0,0,0,0,0,1|3,0,0]=4 3788 B12R0.233 CCSCCC(=O)CCC=C(C)C 1458a_100000230768_100011217483 [0,0,0,0,0,1|3,0,0]=4 3789 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,0,0,0,0,1|2,0,0]=3 3790 B12R0.233 CCSCCC(=O)CCCC(=O)N 1458a_100000230768_100102525003 [0,0,0,0,0,1|3,0,0]=4 3791 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000183196_100000757381 [0,0,0,0,0,1|2,0,0]=3 3792 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000230768_100000189650 [0,0,0,0,0,1|2,0,0]=3 3793 B12R0.233 CCSCCC(=O)CCNC(=O)N 1458a_100000181464_100000757381 [0,0,0,0,0,1|3,0,0]=4 3794 B12R0.233 CCSCCC(=O)CCNC(=O)N 1458a_100000230768_200000034859 [0,0,0,0,0,1|3,0,0]=4 3795 B12R0.233 CCSCCC(=O)CCOC(=O)C 1458a_100000230768_100009814007 [0,0,0,0,0,1|2,0,0]=3 3796 B12R0.233 CCSCCC(=O)CCOC(=O)N 1458a_100000230768_200011214921 [0,0,0,0,0,1|3,0,0]=4 3797 B12R0.233 CCSCCC(=O)CCSC(=O)C 1458a_100000048949_100000757381 [0,0,0,0,0,1|2,0,0]=3 3798 B12R0.233 CCSCCC(=O)COCC(=O)N 1458a_100011219004_100000757381 [0,0,0,0,0,1|3,0,0]=4 3799 B12R0.233 CCSCCC(=O)NCCC(=O)N 11a_100000740010_100000230768 [0,0,0,0,0,1|3,0,0]=4 3800 B12R0.233 CCSCCC(=O)NCCC(=O)N 240690a_100000740010_100000230768 [0,0,0,0,0,1|3,0,0]=4 3801 B12R0.233 CCSCCC(=O)NCCC(=O)N 527a_100000740010_100000230768 [0,0,0,0,0,1|3,0,0]=4 3802 B12R0.233 COCC=CC(=O)CCCC(=O)C 1458a_100016285016_100011215641 [0,0,0,0,0,1|2,0,1]=4 3803 B12R0.233 COCC=CC(=O)CCNC(=O)C 1458a_100016285016_100000189650 [0,0,0,0,0,1|2,0,1]=4 3804 B12R0.233 COCC=CC(=O)CCOC(=O)C 1458a_100016285016_100009814007 [0,0,0,0,0,1|2,0,1]=4 3805 B12R0.233 COCCCC(=O)CCC=C(C)C 1458a_100000741012_100011217483 [0,0,0,0,0,1|3,0,0]=4 3806 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,0,0,0,0,1|2,0,0]=3 3807 B12R0.233 COCCCC(=O)CCCC(=O)N 1458a_100000741012_100102525003 [0,0,0,0,0,1|3,0,0]=4 3808 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000183196_100000740836 [0,0,0,0,0,1|2,0,0]=3 3809 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000741012_100000189650 [0,0,0,0,0,1|2,0,0]=3 3810 B12R0.233 COCCCC(=O)CCNC(=O)N 1458a_100000181464_100000740836 [0,0,0,0,0,1|3,0,0]=4 3811 B12R0.233 COCCCC(=O)CCNC(=O)N 1458a_100000741012_200000034859 [0,0,0,0,0,1|3,0,0]=4 3812 B12R0.233 COCCCC(=O)CCOC(=O)C 1458a_100000741012_100009814007 [0,0,0,0,0,1|2,0,0]=3 3813 B12R0.233 COCCCC(=O)CCOC(=O)N 1458a_100000741012_200011214921 [0,0,0,0,0,1|3,0,0]=4 3814 B12R0.233 COCCCC(=O)CCSC(=O)C 1458a_100000048949_100000740836 [0,0,0,0,0,1|2,0,0]=3 3815 B12R0.233 COCCCC(=O)COCC(=O)N 1458a_100011219004_100000740836 [0,0,0,0,0,1|3,0,0]=4 3816 B12R0.233 COCCCC(=O)NCCC(=O)N 11a_100000740010_100000741012 [0,0,0,0,0,1|3,0,0]=4 3817 B12R0.233 COCCCC(=O)NCCC(=O)N 240690a_100000740010_100000741012 [0,0,0,0,0,1|3,0,0]=4 3818 B12R0.233 COCCCC(=O)NCCC(=O)N 527a_100000740010_100000741012 [0,0,0,0,0,1|3,0,0]=4 3819 B12R0.233 COCCNC(=O)CCNC(=O)C 1626a_100000209980_100000183196 [0,0,0,0,0,1|2,0,0]=3 3820 B12R0.233 COCCNC(=O)CCNC(=O)C 240690a_100000209980_100000183196 [0,0,0,0,0,1|2,0,0]=3 3821 B12R0.233 COCCNC(=O)CCNC(=O)C 527a_100000209980_100000183196 [0,0,0,0,0,1|2,0,0]=3 3822 B12R0.233 COCCNC(=O)CCNC(=O)N 240690a_100000209980_100000181464 [0,0,0,0,0,1|3,0,0]=4 3823 B12R0.233 COCCNC(=O)CCNC(=O)N 527a_100000209980_100000181464 [0,0,0,0,0,1|3,0,0]=4 3824 B12R0.233 COCCNC(=O)CCSC(=O)C 1626a_100000209980_100000048949 [0,0,0,0,0,1|2,0,0]=3 3825 B12R0.233 COCCNC(=O)CCSC(=O)C 240690a_100000209980_100000048949 [0,0,0,0,0,1|2,0,0]=3 3826 B12R0.233 COCCNC(=O)CNCC(=O)N 2230a_100000711301_100000183275 [0,0,0,0,0,1|3,0,0]=4 3827 B12R0.233 COCCNC(=O)CNCC(=O)N 2230a_100000754632_100000747473 [0,0,0,0,0,1|3,0,0]=4 3828 B12R0.233 COCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183275 [0,0,0,0,0,1|3,0,0]=4 3829 B12R0.233 COCCNC(=O)COCC(=O)C 34a_100000211253_100000183275 [0,0,0,0,0,1|2,0,0]=3 3830 B12R0.233 COCCNC(=O)COCC(=O)N 1626a_100000209980_100011219004 [0,0,0,0,0,1|3,0,0]=4 3831 B12R0.233 COCCNC(=O)COCC(=O)N 240690a_100000209980_100011219004 [0,0,0,0,0,1|3,0,0]=4 3832 B12R0.233 COCCNC(=O)COCC(=O)N 527a_100000209980_100011219004 [0,0,0,0,0,1|3,0,0]=4 3833 B12R0.233 COCCNC(=O)CSCC(=O)N 240690a_100000209980_100000150265 [0,0,0,0,0,1|3,0,0]=4 3834 B12R0.233 COCCNC(=O)CSCC(=O)N 527a_100000209980_100000150265 [0,0,0,0,0,1|3,0,0]=4 3835 B12R0.233 COCCNC(=O)CSCC(=O)N 62a_100000183275_100000747473 [0,0,0,0,0,1|3,0,0]=4 3836 B12R0.233 COCCNC(=O)CSCC(=O)N 62a_100000747473_100000183275 [0,0,0,0,0,1|3,0,0]=4 3837 B12R0.233 COCCNC(=O)CSCC(=O)[O-] 62a_100000183275_100020667443 [0,0,0,0,0,1|3,0,0]=4 3838 B12R0.233 COCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183275 [0,0,0,0,0,1|3,0,0]=4 3839 B12R0.233 COCCNC(=O)NCCC(=O)N 273464a_100000209980_100000740010 [0,0,0,0,0,1|3,0,0]=4 3840 B12R0.233 COCCNC(=O)NCCC(=O)N 273464a_100000740010_100000209980 [0,0,0,0,0,1|3,0,0]=4 3841 B12R0.233 COCCOC(=O)CNCC(=O)N 2230a_100000711301_200000040189 [0,0,0,0,0,1|2,0,0]=3 3842 B12R0.233 COCCOC(=O)CNCC(=O)O 269956a_100016091260_200000040189 [0,0,0,0,0,1|2,0,0]=3 3843 B12R0.233 COCCOC(=O)CNCC(C)C 2230a_100000210953_200000040189 [0,0,0,0,0,1|2,0,1]=4 3844 B12R0.233 COCCOC(=O)CNCC(C)C 34a_100000210953_200000040189 [0,0,0,0,0,1|2,0,1]=4 3845 B12R0.233 COCCOC(=O)CNCC(C)O 2230a_100000210904_200000040189 [0,0,0,0,0,1|1,0,2]=4 3846 B12R0.233 COCCOC(=O)CNCC(C)O 34a_100000210904_200000040189 [0,0,0,0,0,1|1,0,2]=4 3847 B12R0.233 COCCOC(=O)COCC(=O)C 34a_100000211253_200000040189 [0,0,0,0,0,1|1,0,0]=2 3848 B12R0.233 COCCOC(=O)COCC(C)Br 34a_100012180447_200000040189 [0,0,0,0,0,1|2,0,1]=4 3849 B12R0.233 COCCOC(=O)COCC(C)C 34a_100000210257_200000040189 [0,0,0,0,0,1|2,0,1]=4 3850 B12R0.233 COCCOC(=O)COCC(C)F 34a_100015925927_200000040189 [0,0,0,0,0,1|2,0,1]=4 3851 B12R0.233 COCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200000040189 [0,0,0,0,0,1|2,0,1]=4 3852 B12R0.233 COCCOC(=O)COC[C@@H](C)N 34a_100000737577_200000040189 [0,0,0,0,0,1|2,0,1]=4 3853 B12R0.233 COCCOC(=O)CSCC(=O)N 62a_100000747473_200000040189 [0,0,0,0,0,1|2,0,0]=3 3854 B12R0.233 COCCOC(=O)CSCC(=O)N 62a_200000040189_100000747473 [0,0,0,0,0,1|2,0,0]=3 3855 B12R0.233 COCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200000040189 [0,0,0,0,0,1|2,0,0]=3 3856 B12R0.233 COCCOC(=O)CSCC(=O)[O-] 62a_200000040189_100020667443 [0,0,0,0,0,1|2,0,0]=3 3857 B12R0.233 COCCOC(=O)CSCC(C)C 62a_100000210624_200000040189 [0,0,0,0,0,1|2,0,1]=4 3858 B12R0.233 COCCOC(=O)CSCC(C)C 62a_200000040189_100000210760 [0,0,0,0,0,1|2,0,1]=4 3859 B12R0.233 COCCOC(=O)CSCC(C)O 62a_100011218427_200000040189 [0,0,0,0,0,1|1,0,2]=4 3860 B12R0.233 COCCOC(=O)CSCC(C)O 62a_200000040189_100011218427 [0,0,0,0,0,1|1,0,2]=4 3861 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200000040189 [0,0,0,0,0,1|1,0,2]=4 3862 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_200000040189_100009817552 [0,0,0,0,0,1|1,0,2]=4 3863 B12R0.233 COCCOC(=O)CSC[N+](=O)[O-] 62a_200000040189_100000761209 [0,0,0,0,0,1|3,0,0]=4 3864 B12R0.233 CSCCCC(=O)CCC=C(C)C 1458a_100000173376_100011217483 [0,0,0,0,0,1|3,0,0]=4 3865 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,0,0,0,0,1|2,0,0]=3 3866 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [0,0,0,0,0,1|3,0,0]=4 3867 B12R0.233 CSCCCC(=O)CCNC(=O)C 1458a_100000173376_100000189650 [0,0,0,0,0,1|2,0,0]=3 3868 B12R0.233 CSCCCC(=O)CCNC(=O)N 1458a_100000173376_200000034859 [0,0,0,0,0,1|3,0,0]=4 3869 B12R0.233 CSCCCC(=O)CCOC(=O)C 1458a_100000173376_100009814007 [0,0,0,0,0,1|2,0,0]=3 3870 B12R0.233 CSCCCC(=O)CCOC(=O)N 1458a_100000173376_200011214921 [0,0,0,0,0,1|3,0,0]=4 3871 B12R0.233 CSCCCC(=O)NCCC(=O)N 11a_100000740010_100000173376 [0,0,0,0,0,1|3,0,0]=4 3872 B12R0.233 CSCCCC(=O)NCCC(=O)N 240690a_100000740010_100000173376 [0,0,0,0,0,1|3,0,0]=4 3873 B12R0.233 CSCCCC(=O)NCCC(=O)N 527a_100000740010_100000173376 [0,0,0,0,0,1|3,0,0]=4 3874 B12R0.233 CSCCNC(=O)CCNC(=O)C 11a_100020590264_100000183196 [0,0,0,0,0,1|2,0,0]=3 3875 B12R0.233 CSCCNC(=O)CCNC(=O)C 1626a_100020590264_100000183196 [0,0,0,0,0,1|2,0,0]=3 3876 B12R0.233 CSCCNC(=O)CCNC(=O)C 240690a_100020590264_100000183196 [0,0,0,0,0,1|2,0,0]=3 3877 B12R0.233 CSCCNC(=O)CCNC(=O)C 527a_100020590264_100000183196 [0,0,0,0,0,1|2,0,0]=3 3878 B12R0.233 CSCCNC(=O)CCNC(=O)N 240690a_100020590264_100000181464 [0,0,0,0,0,1|3,0,0]=4 3879 B12R0.233 CSCCNC(=O)CCNC(=O)N 527a_100020590264_100000181464 [0,0,0,0,0,1|3,0,0]=4 3880 B12R0.233 CSCCNC(=O)CCSC(=O)C 1626a_100020590264_100000048949 [0,0,0,0,0,1|2,0,0]=3 3881 B12R0.233 CSCCNC(=O)CCSC(=O)C 240690a_100020590264_100000048949 [0,0,0,0,0,1|2,0,0]=3 3882 B12R0.233 CSCCNC(=O)COCC(=O)N 1626a_100020590264_100011219004 [0,0,0,0,0,1|3,0,0]=4 3883 B12R0.233 CSCCNC(=O)COCC(=O)N 240690a_100020590264_100011219004 [0,0,0,0,0,1|3,0,0]=4 3884 B12R0.233 CSCCNC(=O)COCC(=O)N 527a_100020590264_100011219004 [0,0,0,0,0,1|3,0,0]=4 3885 B12R0.233 CSCCNC(=O)CSCC(=O)N 11a_100020590264_100000150265 [0,0,0,0,0,1|3,0,0]=4 3886 B12R0.233 CSCCNC(=O)CSCC(=O)N 240690a_100020590264_100000150265 [0,0,0,0,0,1|3,0,0]=4 3887 B12R0.233 CSCCNC(=O)CSCC(=O)N 527a_100020590264_100000150265 [0,0,0,0,0,1|3,0,0]=4 3888 B12R0.233 CSCCNC(=O)NCCC(=O)N 2708a_100020590264_100000740010 [0,0,0,0,0,1|3,0,0]=4 3889 B12R0.233 CSCCNC(=O)NCCC(=O)N 273464a_100000740010_100020590264 [0,0,0,0,0,1|3,0,0]=4 3890 B12R0.233 CSCCNC(=O)NCCC(=O)N 273464a_100020590264_100000740010 [0,0,0,0,0,1|3,0,0]=4 3891 B12R0.233 CSCCNC(=O)NCCC(=O)N 512a_100020590264_100000740010 [0,0,0,0,0,1|3,0,0]=4 3892 B12R0.233 NC(=O)CCCC(=O)CCCCO 1458a_100000695505_100102525003 [0,0,0,0,0,1|3,0,0]=4 3893 B12R0.233 NC(=O)CCNC(=O)NCCCF 2708a_100015189416_100000740010 [0,0,0,0,0,1|3,0,0]=4 3894 B12R0.233 NC(=O)CCNC(=O)NCCCF 273464a_100000740010_100015189416 [0,0,0,0,0,1|3,0,0]=4 3895 B12R0.233 NC(=O)CCNC(=O)NCCCF 273464a_100015189416_100000740010 [0,0,0,0,0,1|3,0,0]=4 3896 B12R0.233 NC(=O)CCNC(=O)NCCCF 512a_100015189416_100000740010 [0,0,0,0,0,1|3,0,0]=4 3897 B12R0.233 NC(=O)CCNC(=O)NCCCO 273464a_100000182051_100000740010 [0,0,0,0,0,1|3,0,0]=4 3898 B12R0.233 NC(=O)CCNC(=O)NCCCO 273464a_100000740010_100000182051 [0,0,0,0,0,1|3,0,0]=4 3899 B12R0.233 NC(=O)COCC(=O)CCCCF 1458a_100011219004_100000729493 [0,0,0,0,0,1|3,0,0]=4 3900 B12R0.233 NC(=O)COCC(=O)CCCCO 1458a_100011219004_100000210776 [0,0,0,0,0,1|3,0,0]=4 3901 B12R0.233 NC(=O)COCC(=O)NCCCF 1626a_100015189416_100011219004 [0,0,0,0,0,1|3,0,0]=4 3902 B12R0.233 NC(=O)COCC(=O)NCCCF 240690a_100015189416_100011219004 [0,0,0,0,0,1|3,0,0]=4 3903 B12R0.233 NC(=O)COCC(=O)NCCCF 527a_100015189416_100011219004 [0,0,0,0,0,1|3,0,0]=4 3904 B12R0.233 NC(=O)COCC(=O)NCCCO 240690a_100000182051_100011219004 [0,0,0,0,0,1|3,0,0]=4 3905 B12R0.233 NC(=O)COCC(=O)NCCCO 527a_100000182051_100011219004 [0,0,0,0,0,1|3,0,0]=4 3906 B12R0.233 NC(=O)CSCC(=O)NCCCF 11a_100015189416_100000150265 [0,0,0,0,0,1|3,0,0]=4 3907 B12R0.233 NC(=O)CSCC(=O)NCCCF 240690a_100015189416_100000150265 [0,0,0,0,0,1|3,0,0]=4 3908 B12R0.233 NC(=O)CSCC(=O)NCCCF 527a_100015189416_100000150265 [0,0,0,0,0,1|3,0,0]=4 3909 B12R0.233 NC(=O)CSCC(=O)NCCCO 240690a_100000182051_100000150265 [0,0,0,0,0,1|3,0,0]=4 3910 B12R0.233 NC(=O)CSCC(=O)NCCCO 527a_100000182051_100000150265 [0,0,0,0,0,1|3,0,0]=4 3911 B12R0.233 NC(=O)NCCC(=O)CCCCF 1458a_100000181464_100000729493 [0,0,0,0,0,1|3,0,0]=4 3912 B12R0.233 NC(=O)NCCC(=O)CCCCO 1458a_100000181464_100000210776 [0,0,0,0,0,1|3,0,0]=4 3913 B12R0.233 NC(=O)NCCC(=O)CCCCO 1458a_100000695505_200000034859 [0,0,0,0,0,1|3,0,0]=4 3914 B12R0.233 NC(=O)NCCC(=O)NCCCF 240690a_100015189416_100000181464 [0,0,0,0,0,1|3,0,0]=4 3915 B12R0.233 NC(=O)NCCC(=O)NCCCF 527a_100015189416_100000181464 [0,0,0,0,0,1|3,0,0]=4 3916 B12R0.233 NC(=O)NCCC(=O)NCCCO 240690a_100000182051_100000181464 [0,0,0,0,0,1|3,0,0]=4 3917 B12R0.233 NC(=O)NCCC(=O)NCCCO 527a_100000182051_100000181464 [0,0,0,0,0,1|3,0,0]=4 3918 B12R0.233 NC(=O)OCCC(=O)CCCCO 1458a_100000695505_200011214921 [0,0,0,0,0,1|3,0,0]=4 3919 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [2,0,0,0,0,0|0,0,2]=4 3920 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [2,0,0,0,0,0|0,0,2]=4 3921 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [2,0,0,0,0,0|0,0,2]=4 3922 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [2,0,0,0,0,0|0,0,2]=4 3923 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [2,0,0,0,0,0|1,0,1]=4 3924 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [2,0,0,0,0,0|2,0,0]=4 3925 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [2,0,0,0,0,0|2,0,0]=4 3926 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [2,0,0,0,0,0|2,0,0]=4 3927 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [2,0,0,0,0,0|1,0,0]=3 3928 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [2,0,0,0,0,0|1,0,0]=3 3929 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [2,0,0,0,0,0|1,0,0]=3 3930 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [2,0,0,0,0,0|2,0,0]=4 3931 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [2,0,0,0,0,0|2,0,0]=4 3932 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [2,0,0,0,0,0|2,0,0]=4 3933 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [2,0,0,0,0,0|2,0,0]=4 3934 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [2,0,0,0,0,0|2,0,0]=4 3935 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [2,0,0,0,0,0|2,0,0]=4 3936 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [2,0,0,0,0,0|2,0,0]=4 3937 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [2,0,0,0,0,0|2,0,0]=4 3938 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [2,0,0,0,0,0|2,0,0]=4 3939 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [2,0,0,0,0,0|2,0,0]=4 3940 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [2,0,0,0,0,0|1,1,0]=4 3941 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [2,0,0,0,0,0|1,1,0]=4 3942 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [2,0,0,0,0,0|0,0,2]=4 3943 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [2,0,0,0,0,0|0,0,2]=4 3944 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [2,0,0,0,0,0|0,0,2]=4 3945 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [2,0,0,0,0,0|0,0,2]=4 3946 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|1,0,1]=4 3947 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|1,0,1]=4 3948 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|1,0,1]=4 3949 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [2,0,0,0,0,0|1,0,1]=4 3950 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [2,0,0,0,0,0|1,0,1]=4 3951 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [2,0,0,0,0,0|1,0,1]=4 3952 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [2,0,0,0,0,0|1,0,1]=4 3953 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [2,0,0,0,0,0|1,0,1]=4 3954 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [2,0,0,0,0,0|1,0,1]=4 3955 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [2,0,0,0,0,0|1,0,1]=4 3956 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [2,0,0,0,0,0|1,0,0]=3 3957 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [2,0,0,0,0,0|1,0,0]=3 3958 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [2,0,0,0,0,0|1,0,0]=3 3959 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [2,0,0,0,0,0|1,0,0]=3 3960 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [2,0,0,0,0,0|1,1,0]=4 3961 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [2,0,0,0,0,0|1,1,0]=4 3962 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [2,0,0,0,0,0|1,1,0]=4 3963 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [2,0,0,0,0,0|1,1,0]=4 3964 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [2,0,0,0,0,0|2,0,0]=4 3965 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [2,0,0,0,0,0|2,0,0]=4 3966 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [2,0,0,0,0,0|2,0,0]=4 3967 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [2,0,0,0,0,0|2,0,0]=4 3968 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [2,0,0,0,0,0|0,0,2]=4 3969 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [2,0,0,0,0,0|0,0,2]=4 3970 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|0,0,1]=3 3971 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|0,0,1]=3 3972 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [2,0,0,0,0,0|2,0,0]=4 3973 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|1,0,1]=4 3974 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|1,0,1]=4 3975 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|0,0,1]=3 3976 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|0,0,1]=3 3977 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|0,0,1]=3 3978 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|1,0,1]=4 3979 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|1,0,1]=4 3980 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|1,0,1]=4 3981 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|1,0,1]=4 3982 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|1,0,1]=4 3983 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|1,0,0]=3 3984 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 3985 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 3986 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [2,0,0,0,0,0|1,0,1]=4 3987 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [2,0,0,0,0,0|1,0,1]=4 3988 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [2,0,0,0,0,0|1,0,1]=4 3989 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|0,0,0]=2 3990 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|0,0,0]=2 3991 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|0,0,0]=2 3992 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|0,0,0]=2 3993 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|1,0,0]=3 3994 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|1,0,0]=3 3995 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|1,0,0]=3 3996 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|1,0,0]=3 3997 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [2,0,0,0,0,0|1,0,1]=4 3998 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [2,0,0,0,0,0|1,0,1]=4 3999 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [2,0,0,0,0,0|1,0,1]=4 4000 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [2,0,0,0,0,0|1,0,1]=4 4001 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [2,0,0,0,0,0|1,0,1]=4 4002 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [2,0,0,0,0,0|0,0,2]=4 4003 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [2,0,0,0,0,0|0,0,2]=4 4004 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [2,0,0,0,0,0|2,0,0]=4 4005 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [2,0,0,0,0,0|2,0,0]=4 4006 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [2,0,0,0,0,0|2,0,0]=4 4007 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [2,0,0,0,0,0|1,0,1]=4 4008 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [2,0,0,0,0,0|1,0,0]=3 4009 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|0,1,0]=3 4010 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|0,1,0]=3 4011 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|1,1,0]=4 4012 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|1,1,0]=4 4013 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [2,0,0,0,0,0|1,1,0]=4 4014 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [2,0,0,0,0,0|1,1,0]=4 4015 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|0,0,1]=3 4016 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|0,0,1]=3 4017 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|0,0,1]=3 4018 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|1,0,1]=4 4019 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [2,0,0,0,0,0|1,0,1]=4 4020 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [2,0,0,0,0,0|1,0,1]=4 4021 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [2,0,0,0,0,0|1,0,1]=4 4022 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [2,0,0,0,0,0|1,0,1]=4 4023 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [2,0,0,0,0,0|1,0,1]=4 4024 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|0,1,1]=4 4025 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|0,1,1]=4 4026 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|1,0,1]=4 4027 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [2,0,0,0,0,0|1,1,0]=4 4028 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [2,0,0,0,0,0|1,1,0]=4 4029 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|1,0,1]=4 4030 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|1,0,1]=4 4031 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|1,0,1]=4 4032 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|1,0,1]=4 4033 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [2,0,0,0,0,0|1,0,0]=3 4034 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [2,0,0,0,0,0|1,0,0]=3 4035 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [2,0,0,0,0,0|1,0,0]=3 4036 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [2,0,0,0,0,0|1,0,0]=3 4037 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [2,0,0,0,0,0|2,0,0]=4 4038 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [2,0,0,0,0,0|2,0,0]=4 4039 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [2,0,0,0,0,0|2,0,0]=4 4040 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [2,0,0,0,0,0|1,0,0]=3 4041 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [2,0,0,0,0,0|2,0,0]=4 4042 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [2,0,0,0,0,0|1,1,0]=4 4043 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [2,0,0,0,0,0|1,1,0]=4 4044 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [2,0,0,0,0,0|1,0,0]=3 4045 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [2,0,0,0,0,0|1,0,0]=3 4046 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [2,0,0,0,0,0|1,0,0]=3 4047 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [2,0,0,0,0,0|2,0,0]=4 4048 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [2,0,0,0,0,0|2,0,0]=4 4049 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [2,0,0,0,0,0|2,0,0]=4 4050 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [2,0,0,0,0,0|2,0,0]=4 4051 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [2,0,0,0,0,0|2,0,0]=4 4052 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [2,0,0,0,0,0|1,1,0]=4 4053 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [2,0,0,0,0,0|1,1,0]=4 4054 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [2,0,0,0,0,0|1,0,1]=4 4055 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [2,0,0,0,0,0|2,0,0]=4 4056 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [2,0,0,0,0,0|2,0,0]=4 4057 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [2,0,0,0,0,0|2,0,0]=4 4058 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [2,0,0,0,0,0|2,0,0]=4 4059 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [2,0,0,0,0,0|2,0,0]=4 4060 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [2,0,0,0,0,0|2,0,0]=4 4061 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [2,0,0,0,0,0|2,0,0]=4 4062 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [2,0,0,0,0,0|2,0,0]=4 4063 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|1,0,1]=4 4064 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|0,0,2]=4 4065 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|0,0,2]=4 4066 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|0,0,2]=4 4067 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|0,0,2]=4 4068 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|0,0,2]=4 4069 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [2,0,0,0,0,0|2,0,0]=4 4070 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [2,0,0,0,0,0|2,0,0]=4 4071 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [2,0,0,0,0,0|2,0,0]=4 4072 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [2,0,0,0,0,0|2,0,0]=4 4073 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|0,0,2]=4 4074 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|0,0,2]=4 4075 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|0,0,2]=4 4076 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|0,0,2]=4 4077 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,1]=4 4078 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,1]=4 4079 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|0,0,1]=3 4080 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|1,0,1]=4 4081 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|1,0,1]=4 4082 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|1,0,1]=4 4083 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|1,0,1]=4 4084 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|1,0,1]=4 4085 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|1,0,1]=4 4086 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|1,0,1]=4 4087 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|1,0,1]=4 4088 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|1,0,1]=4 4089 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|1,0,1]=4 4090 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|1,0,1]=4 4091 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|1,0,1]=4 4092 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|1,0,1]=4 4093 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|1,0,1]=4 4094 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [2,0,0,0,0,0|1,0,1]=4 4095 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [2,0,0,0,0,0|1,0,1]=4 4096 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|0,1,1]=4 4097 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|0,1,1]=4 4098 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [2,0,0,0,0,0|1,0,1]=4 4099 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [2,0,0,0,0,0|0,0,2]=4 4100 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [2,0,0,0,0,0|0,0,2]=4 4101 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [2,0,0,0,0,0|0,0,1]=3 4102 B9R0.18 C/C=C/CC(=O)CCOC 1458a_100000749529_100102629194 [2,0,0,0,0,0|1,0,1]=4 4103 B9R0.18 C/C=C/CC(=O)CCSC 1458a_100000174002_100102629194 [2,0,0,0,0,0|1,0,1]=4 4104 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [2,0,0,0,0,0|1,0,1]=4 4105 B9R0.18 C/C=C/CC(=O)CSCC 1458a_100000230394_100102629194 [2,0,0,0,0,0|1,0,1]=4 4106 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [2,0,0,0,0,0|0,0,1]=3 4107 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [2,0,0,0,0,0|0,0,1]=3 4108 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [2,0,0,0,0,0|1,0,1]=4 4109 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [2,0,0,0,0,0|1,0,1]=4 4110 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [2,0,0,0,0,0|1,0,1]=4 4111 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [2,0,0,0,0,0|1,0,1]=4 4112 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [2,0,0,0,0,0|1,0,1]=4 4113 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [2,0,0,0,0,0|1,0,1]=4 4114 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [2,0,0,0,0,0|1,0,1]=4 4115 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [2,0,0,0,0,0|1,0,1]=4 4116 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [2,0,0,0,0,0|1,0,1]=4 4117 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [2,0,0,0,0,0|1,0,1]=4 4118 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [2,0,0,0,0,0|1,0,1]=4 4119 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [2,0,0,0,0,0|1,0,1]=4 4120 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [2,0,0,0,0,0|1,0,1]=4 4121 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [2,0,0,0,0,0|1,0,1]=4 4122 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [2,0,0,0,0,0|1,0,1]=4 4123 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [2,0,0,0,0,0|0,0,2]=4 4124 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [2,0,0,0,0,0|0,0,1]=3 4125 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [2,0,0,0,0,0|0,0,1]=3 4126 B9R0.18 CC=CCC(=O)CCCF 1458a_100121576822_100011934791 [2,0,0,0,0,0|1,0,1]=4 4127 B9R0.18 CC=CCC(=O)CCCO 1458a_100121576822_100011215043 [2,0,0,0,0,0|1,0,1]=4 4128 B9R0.18 CC=CCC(=O)CCOC 1458a_100000749529_100000070051 [2,0,0,0,0,0|1,0,1]=4 4129 B9R0.18 CC=CCC(=O)CCOC 1458a_100121576822_100000233755 [2,0,0,0,0,0|1,0,1]=4 4130 B9R0.18 CC=CCC(=O)CCSC 1458a_100000174002_100000070051 [2,0,0,0,0,0|1,0,1]=4 4131 B9R0.18 CC=CCC(=O)CCSC 1458a_100121576822_100000751147 [2,0,0,0,0,0|1,0,1]=4 4132 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [2,0,0,0,0,0|1,0,1]=4 4133 B9R0.18 CC=CCC(=O)CSCC 1458a_100000230394_100000070051 [2,0,0,0,0,0|1,0,1]=4 4134 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [2,0,0,0,0,0|1,0,1]=4 4135 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [2,0,0,0,0,0|1,0,1]=4 4136 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [2,0,0,0,0,0|1,0,1]=4 4137 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [2,0,0,0,0,0|1,0,1]=4 4138 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [2,0,0,0,0,0|2,0,0]=4 4139 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [2,0,0,0,0,0|1,0,1]=4 4140 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [2,0,0,0,0,0|1,0,1]=4 4141 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [2,0,0,0,0,0|0,0,1]=3 4142 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [2,0,0,0,0,0|1,0,1]=4 4143 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [2,0,0,0,0,0|0,0,2]=4 4144 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [2,0,0,0,0,0|1,0,0]=3 4145 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [2,0,0,0,0,0|1,0,0]=3 4146 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [2,0,0,0,0,0|1,0,0]=3 4147 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [2,0,0,0,0,0|1,0,0]=3 4148 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [2,0,0,0,0,0|1,0,1]=4 4149 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [2,0,0,0,0,0|1,0,1]=4 4150 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [2,0,0,0,0,0|1,0,1]=4 4151 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [2,0,0,0,0,0|1,0,1]=4 4152 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [2,0,0,0,0,0|1,0,1]=4 4153 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [2,0,0,0,0,0|1,0,1]=4 4154 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [2,0,0,0,0,0|2,0,0]=4 4155 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [2,0,0,0,0,0|2,0,0]=4 4156 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [2,0,0,0,0,0|2,0,0]=4 4157 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [2,0,0,0,0,0|2,0,0]=4 4158 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [2,0,0,0,0,0|2,0,0]=4 4159 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [2,0,0,0,0,0|2,0,0]=4 4160 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [2,0,0,0,0,0|2,0,0]=4 4161 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [2,0,0,0,0,0|2,0,0]=4 4162 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [2,0,0,0,0,0|1,0,1]=4 4163 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [2,0,0,0,0,0|1,0,1]=4 4164 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [2,0,0,0,0,0|1,0,1]=4 4165 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [2,0,0,0,0,0|1,0,1]=4 4166 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [2,0,0,0,0,0|2,0,0]=4 4167 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [2,0,0,0,0,0|2,0,0]=4 4168 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [2,0,0,0,0,0|2,0,0]=4 4169 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [2,0,0,0,0,0|2,0,0]=4 4170 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [2,0,0,0,0,0|2,0,0]=4 4171 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [2,0,0,0,0,0|2,0,0]=4 4172 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [2,0,0,0,0,0|2,0,0]=4 4173 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [2,0,0,0,0,0|2,0,0]=4 4174 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [2,0,0,0,0,0|2,0,0]=4 4175 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [2,0,0,0,0,0|2,0,0]=4 4176 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [2,0,0,0,0,0|2,0,0]=4 4177 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [2,0,0,0,0,0|2,0,0]=4 4178 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [2,0,0,0,0,0|2,0,0]=4 4179 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [2,0,0,0,0,0|2,0,0]=4 4180 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [2,0,0,0,0,0|2,0,0]=4 4181 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [2,0,0,0,0,0|2,0,0]=4 4182 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [2,0,0,0,0,0|2,0,0]=4 4183 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [2,0,0,0,0,0|1,0,0]=3 4184 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [2,0,0,0,0,0|1,0,0]=3 4185 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [2,0,0,0,0,0|2,0,0]=4 4186 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [2,0,0,0,0,0|2,0,0]=4 4187 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [2,0,0,0,0,0|2,0,0]=4 4188 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [2,0,0,0,0,0|2,0,0]=4 4189 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [2,0,0,0,0,0|2,0,0]=4 4190 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [2,0,0,0,0,0|2,0,0]=4 4191 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [2,0,0,0,0,0|2,0,0]=4 4192 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [2,0,0,0,0,0|2,0,0]=4 4193 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [2,0,0,0,0,0|2,0,0]=4 4194 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [2,0,0,0,0,0|2,0,0]=4 4195 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [2,0,0,0,0,0|2,0,0]=4 4196 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [2,0,0,0,0,0|2,0,0]=4 4197 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [2,0,0,0,0,0|2,0,0]=4 4198 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [2,0,0,0,0,0|2,0,0]=4 4199 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [2,0,0,0,0,0|2,0,0]=4 4200 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [2,0,0,0,0,0|2,0,0]=4 4201 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [2,0,0,0,0,0|2,0,0]=4 4202 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [2,0,0,0,0,0|2,0,0]=4 4203 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [2,0,0,0,0,0|2,0,0]=4 4204 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [2,0,0,0,0,0|2,0,0]=4 4205 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [2,0,0,0,0,0|1,0,1]=4 4206 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [2,0,0,0,0,0|1,0,1]=4 4207 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [2,0,0,0,0,0|1,0,0]=3 4208 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [2,0,0,0,0,0|1,0,1]=4 4209 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [2,0,0,0,0,0|1,0,1]=4 4210 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [2,0,0,0,0,0|0,0,2]=4 4211 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [2,0,0,0,0,0|2,0,0]=4 4212 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [2,0,0,0,0,0|2,0,0]=4 4213 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [2,0,0,0,0,0|1,0,0]=3 4214 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [2,0,0,0,0,0|2,0,0]=4 4215 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [2,0,0,0,0,0|1,0,0]=3 4216 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [2,0,0,0,0,0|1,0,0]=3 4217 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [2,0,0,0,0,0|2,0,0]=4 4218 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [2,0,0,0,0,0|2,0,0]=4 4219 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [2,0,0,0,0,0|2,0,0]=4 4220 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [2,0,0,0,0,0|2,0,0]=4 4221 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [2,0,0,0,0,0|2,0,0]=4 4222 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [2,0,0,0,0,0|1,0,0]=3 4223 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [2,0,0,0,0,0|2,0,0]=4 4224 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [2,0,0,0,0,0|1,0,0]=3 4225 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [2,0,0,0,0,0|2,0,0]=4 4226 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [2,0,0,0,0,0|2,0,0]=4 4227 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [2,0,0,0,0,0|1,0,0]=3 4228 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [2,0,0,0,0,0|2,0,0]=4 4229 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [2,0,0,0,0,0|2,0,0]=4 4230 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [2,0,0,0,0,0|2,0,0]=4 4231 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [2,0,0,0,0,0|2,0,0]=4 4232 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [2,0,0,0,0,0|2,0,0]=4 4233 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [2,0,0,0,0,0|2,0,0]=4 4234 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [2,0,0,0,0,0|2,0,0]=4 4235 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [2,0,0,0,0,0|2,0,0]=4 4236 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [2,0,0,0,0,0|2,0,0]=4 4237 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [2,0,0,0,0,0|2,0,0]=4 4238 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [2,0,0,0,0,0|2,0,0]=4 4239 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [2,0,0,0,0,0|0,0,2]=4 4240 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [2,0,0,0,0,0|0,0,2]=4 4241 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [2,0,0,0,0,0|0,0,0]=2 4242 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [2,0,0,0,0,0|0,0,0]=2 4243 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [2,0,0,0,0,0|2,0,0]=4 4244 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [2,0,0,0,0,0|2,0,0]=4 4245 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [2,0,0,0,0,0|2,0,0]=4 4246 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [2,0,0,0,0,0|2,0,0]=4 4247 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [2,0,0,0,0,0|2,0,0]=4 4248 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [2,0,0,0,0,0|2,0,0]=4 4249 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [2,0,0,0,0,0|1,0,0]=3 4250 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [2,0,0,0,0,0|1,0,0]=3 4251 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [2,0,0,0,0,0|1,0,0]=3 4252 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [2,0,0,0,0,0|2,0,0]=4 4253 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [2,0,0,0,0,0|2,0,0]=4 4254 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [2,0,0,0,0,0|2,0,0]=4 4255 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [2,0,0,0,0,0|2,0,0]=4 4256 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [2,0,0,0,0,0|2,0,0]=4 4257 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [2,0,0,0,0,0|2,0,0]=4 4258 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [2,0,0,0,0,0|1,0,1]=4 4259 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [2,0,0,0,0,0|1,0,1]=4 4260 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [2,0,0,0,0,0|1,0,1]=4 4261 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [2,0,0,0,0,0|1,0,1]=4 4262 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [2,0,0,0,0,0|1,0,1]=4 4263 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [2,0,0,0,0,0|1,0,1]=4 4264 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [2,0,0,0,0,0|1,0,1]=4 4265 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [2,0,0,0,0,0|1,0,1]=4 4266 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [2,0,0,0,0,0|1,0,1]=4 4267 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [2,0,0,0,0,0|1,0,1]=4 4268 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [2,0,0,0,0,0|1,0,1]=4 4269 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [2,0,0,0,0,0|2,0,0]=4 4270 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [2,0,0,0,0,0|2,0,0]=4 4271 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [2,0,0,0,0,0|2,0,0]=4 4272 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [2,0,0,0,0,0|2,0,0]=4 4273 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [2,0,0,0,0,0|2,0,0]=4 4274 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [2,0,0,0,0,0|2,0,0]=4 4275 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [2,0,0,0,0,0|2,0,0]=4 4276 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [2,0,0,0,0,0|2,0,0]=4 4277 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [2,0,0,0,0,0|2,0,0]=4 4278 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [2,0,0,0,0,0|2,0,0]=4 4279 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 4280 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 4281 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 4282 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [2,0,0,0,0,0|2,0,0]=4 4283 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [2,0,0,0,0,0|2,0,0]=4 4284 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [2,0,0,0,0,0|2,0,0]=4 4285 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 4286 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 4287 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [2,0,0,0,0,0|2,0,0]=4 4288 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 4289 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 4290 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 4291 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [2,0,0,0,0,0|2,0,0]=4 4292 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [2,0,0,0,0,0|1,0,0]=3 4293 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [2,0,0,0,0,0|1,0,0]=3 4294 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [2,0,0,0,0,0|1,0,0]=3 4295 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [2,0,0,0,0,0|2,0,0]=4 4296 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [2,0,0,0,0,0|1,0,1]=4 4297 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|1,0,0]=3 4298 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|1,0,0]=3 4299 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,0,0,0,0|2,0,0]=4 4300 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,0,0,0,0|1,0,1]=4 4301 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,0,0,0,0|1,0,1]=4 4302 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 4303 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|2,0,0]=4 4304 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 4305 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|2,0,0]=4 4306 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|2,0,0]=4 4307 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|2,0,0]=4 4308 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|2,0,0]=4 4309 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|2,0,0]=4 4310 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|2,0,0]=4 4311 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|2,0,0]=4 4312 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,0,0,0,0|2,0,0]=4 4313 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,0,0,0,0|2,0,0]=4 4314 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,0,0,0,0|2,0,0]=4 4315 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 4316 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 4317 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 4318 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,0,0,0,0|1,0,0]=3 4319 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [2,0,0,0,0,0|1,0,1]=4 4320 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [2,0,0,0,0,0|2,0,0]=4 4321 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [2,0,0,0,0,0|2,0,0]=4 4322 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [2,0,0,0,0,0|2,0,0]=4 4323 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 4324 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 4325 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 4326 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [2,0,0,0,0,0|2,0,0]=4 4327 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 4328 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 4329 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 4330 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 4331 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 4332 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [2,0,0,0,0,0|2,0,0]=4 4333 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [2,0,0,0,0,0|2,0,0]=4 4334 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [2,0,0,0,0,0|2,0,0]=4 4335 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [2,0,0,0,0,0|2,0,0]=4 4336 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 4337 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 4338 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 4339 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 4340 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 4341 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 4342 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [2,0,0,0,0,0|1,0,0]=3 4343 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [2,0,0,0,0,0|1,0,0]=3 4344 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [2,0,0,0,0,0|1,0,0]=3 4345 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [2,0,0,0,0,0|1,0,0]=3 4346 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [2,0,0,0,0,0|1,0,0]=3 4347 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [2,0,0,0,0,0|1,0,0]=3 4348 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [2,0,0,0,0,0|1,0,0]=3 4349 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [2,0,0,0,0,0|1,0,0]=3 4350 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [2,0,0,0,0,0|1,0,1]=4 4351 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [2,0,0,0,0,0|1,0,1]=4 4352 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [2,0,0,0,0,0|1,0,1]=4 4353 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [2,0,0,0,0,0|1,0,1]=4 4354 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [2,0,0,0,0,0|2,0,0]=4 4355 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [2,0,0,0,0,0|2,0,0]=4 4356 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [2,0,0,0,0,0|2,0,0]=4 4357 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [2,0,0,0,0,0|2,0,0]=4 4358 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [2,0,0,0,0,0|2,0,0]=4 4359 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [2,0,0,0,0,0|2,0,0]=4 4360 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [2,0,0,0,0,0|2,0,0]=4 4361 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [2,0,0,0,0,0|2,0,0]=4 4362 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [2,0,0,0,0,0|2,0,0]=4 4363 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [2,0,0,0,0,0|2,0,0]=4 4364 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [2,0,0,0,0,0|2,0,0]=4 4365 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [2,0,0,0,0,0|2,0,0]=4 4366 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [2,0,0,0,0,0|2,0,0]=4 4367 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [2,0,0,0,0,0|2,0,0]=4 4368 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [1,1,0,0,0,0|0,0,2]=4 4369 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [1,1,0,0,0,0|0,0,2]=4 4370 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [1,1,0,0,0,0|0,0,2]=4 4371 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|1,0,1]=4 4372 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [1,1,0,0,0,0|0,0,2]=4 4373 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [1,1,0,0,0,0|0,0,2]=4 4374 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [1,1,0,0,0,0|0,0,2]=4 4375 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [1,1,0,0,0,0|0,0,1]=3 4376 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [1,1,0,0,0,0|0,0,1]=3 4377 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [1,1,0,0,0,0|0,0,1]=3 4378 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [1,1,0,0,0,0|0,0,1]=3 4379 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [1,1,0,0,0,0|0,0,1]=3 4380 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [1,1,0,0,0,0|0,0,1]=3 4381 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [1,1,0,0,0,0|0,0,1]=3 4382 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [1,1,0,0,0,0|1,0,1]=4 4383 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [1,1,0,0,0,0|1,0,1]=4 4384 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,1,0,0,0,0|0,0,1]=3 4385 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [1,1,0,0,0,0|1,0,1]=4 4386 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [1,1,0,0,0,0|0,1,1]=4 4387 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [1,1,0,0,0,0|0,1,1]=4 4388 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [1,1,0,0,0,0|0,1,1]=4 4389 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [1,1,0,0,0,0|0,1,1]=4 4390 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,1,0,0,0,0|2,0,0]=4 4391 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,1,0,0,0,0|2,0,0]=4 4392 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,1,0,0,0,0|2,0,0]=4 4393 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,1,0,0,0,0|2,0,0]=4 4394 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,1,0,0,0,0|2,0,0]=4 4395 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,1,0,0,0,0|2,0,0]=4 4396 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,1,0,0,0,0|2,0,0]=4 4397 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [1,1,0,0,0,0|2,0,0]=4 4398 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [1,1,0,0,0,0|2,0,0]=4 4399 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [1,1,0,0,0,0|1,0,1]=4 4400 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [1,1,0,0,0,0|1,0,1]=4 4401 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [1,1,0,0,0,0|1,0,1]=4 4402 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [1,1,0,0,0,0|1,0,1]=4 4403 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [1,1,0,0,0,0|1,0,1]=4 4404 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [1,1,0,0,0,0|1,0,1]=4 4405 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [1,1,0,0,0,0|1,0,1]=4 4406 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [1,1,0,0,0,0|1,0,1]=4 4407 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|1,0,1]=4 4408 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [1,1,0,0,0,0|1,0,1]=4 4409 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [1,1,0,0,0,0|1,0,1]=4 4410 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [1,1,0,0,0,0|1,0,1]=4 4411 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [1,1,0,0,0,0|1,0,1]=4 4412 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,1,0,0,0,0|1,0,1]=4 4413 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [1,1,0,0,0,0|1,0,1]=4 4414 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [1,1,0,0,0,0|1,0,1]=4 4415 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [1,1,0,0,0,0|1,0,1]=4 4416 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [1,1,0,0,0,0|1,0,1]=4 4417 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|1,0,1]=4 4418 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|1,0,1]=4 4419 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|1,0,1]=4 4420 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|1,0,1]=4 4421 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|1,0,1]=4 4422 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 4423 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 4424 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|1,0,1]=4 4425 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [1,1,0,0,0,0|2,0,0]=4 4426 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [1,1,0,0,0,0|2,0,0]=4 4427 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [1,1,0,0,0,0|2,0,0]=4 4428 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|2,0,0]=4 4429 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [1,1,0,0,0,0|2,0,0]=4 4430 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [1,1,0,0,0,0|2,0,0]=4 4431 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [1,1,0,0,0,0|2,0,0]=4 4432 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|2,0,0]=4 4433 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|2,0,0]=4 4434 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [1,1,0,0,0,0|2,0,0]=4 4435 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [1,1,0,0,0,0|2,0,0]=4 4436 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|2,0,0]=4 4437 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|2,0,0]=4 4438 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [1,1,0,0,0,0|1,0,1]=4 4439 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [1,1,0,0,0,0|1,0,1]=4 4440 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [1,1,0,0,0,0|1,0,1]=4 4441 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [1,1,0,0,0,0|1,0,1]=4 4442 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|1,0,1]=4 4443 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|1,0,1]=4 4444 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [1,1,0,0,0,0|0,0,1]=3 4445 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [1,1,0,0,0,0|0,0,1]=3 4446 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [1,1,0,0,0,0|1,0,1]=4 4447 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|0,0,1]=3 4448 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|0,0,1]=3 4449 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [1,1,0,0,0,0|1,0,1]=4 4450 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [1,1,0,0,0,0|1,0,1]=4 4451 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [1,1,0,0,0,0|1,0,1]=4 4452 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,1,0,0,0,0|1,0,1]=4 4453 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [1,1,0,0,0,0|1,0,1]=4 4454 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [1,1,0,0,0,0|1,0,1]=4 4455 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,1,0,0,0,0|1,0,1]=4 4456 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [1,1,0,0,0,0|1,0,1]=4 4457 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [1,1,0,0,0,0|1,0,1]=4 4458 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [1,1,0,0,0,0|1,0,1]=4 4459 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [1,1,0,0,0,0|1,0,1]=4 4460 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [1,1,0,0,0,0|1,0,1]=4 4461 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [1,1,0,0,0,0|1,0,1]=4 4462 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [1,1,0,0,0,0|1,0,1]=4 4463 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [1,1,0,0,0,0|1,0,1]=4 4464 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [1,1,0,0,0,0|1,0,1]=4 4465 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [1,1,0,0,0,0|0,1,1]=4 4466 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [1,1,0,0,0,0|0,1,1]=4 4467 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|0,1,1]=4 4468 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|0,1,1]=4 4469 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [1,1,0,0,0,0|2,0,0]=4 4470 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [1,1,0,0,0,0|1,0,1]=4 4471 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [1,1,0,0,0,0|1,0,1]=4 4472 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [1,1,0,0,0,0|1,0,1]=4 4473 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [1,1,0,0,0,0|1,0,1]=4 4474 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [1,1,0,0,0,0|1,0,1]=4 4475 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [1,1,0,0,0,0|1,0,1]=4 4476 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [1,1,0,0,0,0|1,0,1]=4 4477 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [1,1,0,0,0,0|1,0,1]=4 4478 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [1,1,0,0,0,0|1,0,1]=4 4479 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [1,1,0,0,0,0|1,0,1]=4 4480 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [1,1,0,0,0,0|1,0,1]=4 4481 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [1,1,0,0,0,0|1,0,1]=4 4482 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [1,1,0,0,0,0|1,0,1]=4 4483 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [1,1,0,0,0,0|1,0,1]=4 4484 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [1,1,0,0,0,0|1,0,1]=4 4485 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|1,0,1]=4 4486 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [1,1,0,0,0,0|2,0,0]=4 4487 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [1,1,0,0,0,0|2,0,0]=4 4488 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [1,1,0,0,0,0|1,0,1]=4 4489 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [1,1,0,0,0,0|1,0,1]=4 4490 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [1,1,0,0,0,0|1,0,1]=4 4491 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [1,1,0,0,0,0|1,0,1]=4 4492 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [1,1,0,0,0,0|1,0,1]=4 4493 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [1,1,0,0,0,0|1,0,1]=4 4494 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [1,1,0,0,0,0|1,0,1]=4 4495 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [1,1,0,0,0,0|1,0,1]=4 4496 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [1,1,0,0,0,0|1,0,1]=4 4497 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [1,1,0,0,0,0|1,0,1]=4 4498 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [1,1,0,0,0,0|1,0,1]=4 4499 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [1,1,0,0,0,0|1,0,1]=4 4500 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [1,1,0,0,0,0|1,0,1]=4 4501 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [1,1,0,0,0,0|1,0,1]=4 4502 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [1,1,0,0,0,0|0,0,2]=4 4503 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [1,1,0,0,0,0|0,0,2]=4 4504 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [1,1,0,0,0,0|2,0,0]=4 4505 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [1,1,0,0,0,0|0,0,1]=3 4506 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [1,1,0,0,0,0|0,0,1]=3 4507 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [1,1,0,0,0,0|1,0,1]=4 4508 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [1,1,0,0,0,0|0,1,1]=4 4509 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [1,1,0,0,0,0|0,1,1]=4 4510 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [1,1,0,0,0,0|0,0,1]=3 4511 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [1,1,0,0,0,0|0,0,1]=3 4512 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [1,1,0,0,0,0|1,0,1]=4 4513 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [1,1,0,0,0,0|0,1,1]=4 4514 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [1,1,0,0,0,0|0,1,1]=4 4515 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [1,1,0,0,0,0|0,0,1]=3 4516 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [1,1,0,0,0,0|0,0,1]=3 4517 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [1,1,0,0,0,0|0,0,1]=3 4518 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [1,1,0,0,0,0|1,0,1]=4 4519 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [1,1,0,0,0,0|1,0,1]=4 4520 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [1,1,0,0,0,0|1,0,1]=4 4521 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [1,1,0,0,0,0|1,0,1]=4 4522 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [1,1,0,0,0,0|0,1,1]=4 4523 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [1,1,0,0,0,0|0,1,1]=4 4524 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [1,1,0,0,0,0|1,0,1]=4 4525 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [1,1,0,0,0,0|1,0,1]=4 4526 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [1,1,0,0,0,0|2,0,0]=4 4527 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [1,1,0,0,0,0|2,0,0]=4 4528 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [1,1,0,0,0,0|2,0,0]=4 4529 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [1,1,0,0,0,0|2,0,0]=4 4530 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [1,1,0,0,0,0|2,0,0]=4 4531 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [1,1,0,0,0,0|1,0,1]=4 4532 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [1,1,0,0,0,0|0,0,2]=4 4533 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [1,1,0,0,0,0|0,0,2]=4 4534 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [1,1,0,0,0,0|0,0,2]=4 4535 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [1,1,0,0,0,0|0,0,2]=4 4536 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [1,1,0,0,0,0|0,0,2]=4 4537 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [1,1,0,0,0,0|1,0,1]=4 4538 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [1,1,0,0,0,0|1,0,1]=4 4539 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [1,1,0,0,0,0|1,0,1]=4 4540 B11R0.148 C=C(C)COC/C=C/CCCC 34a_200016272032_100000748629 [1,1,0,0,0,0|2,0,0]=4 4541 B11R0.148 C=C(C)COC/C=C/CCCC 7a_200016272032_100000748629 [1,1,0,0,0,0|2,0,0]=4 4542 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [1,1,0,0,0,0|1,0,1]=4 4543 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [1,1,0,0,0,0|1,0,1]=4 4544 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [1,1,0,0,0,0|1,0,1]=4 4545 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [1,1,0,0,0,0|1,0,1]=4 4546 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [1,1,0,0,0,0|1,0,1]=4 4547 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [1,1,0,0,0,0|0,0,2]=4 4548 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [1,1,0,0,0,0|0,0,2]=4 4549 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [1,1,0,0,0,0|0,0,2]=4 4550 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [1,1,0,0,0,0|0,0,2]=4 4551 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [1,1,0,0,0,0|0,0,2]=4 4552 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|1,0,1]=4 4553 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [1,1,0,0,0,0|1,0,1]=4 4554 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [1,1,0,0,0,0|1,0,1]=4 4555 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [1,1,0,0,0,0|1,0,1]=4 4556 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [1,1,0,0,0,0|1,0,1]=4 4557 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,1,0,0,0,0|1,0,1]=4 4558 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [1,1,0,0,0,0|0,0,2]=4 4559 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [1,1,0,0,0,0|0,0,2]=4 4560 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [1,1,0,0,0,0|0,0,1]=3 4561 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [1,1,0,0,0,0|0,0,1]=3 4562 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [1,1,0,0,0,0|0,0,1]=3 4563 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [1,1,0,0,0,0|0,0,1]=3 4564 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [1,1,0,0,0,0|0,0,1]=3 4565 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [1,1,0,0,0,0|0,0,1]=3 4566 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [1,1,0,0,0,0|0,0,1]=3 4567 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [1,1,0,0,0,0|0,0,1]=3 4568 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [1,1,0,0,0,0|0,0,1]=3 4569 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,1,0,0,0,0|0,0,1]=3 4570 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,1,0,0,0,0|0,0,1]=3 4571 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [1,1,0,0,0,0|0,1,1]=4 4572 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [1,1,0,0,0,0|0,1,1]=4 4573 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,1,0,0,0,0|0,1,1]=4 4574 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,1,0,0,0,0|0,1,1]=4 4575 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [1,1,0,0,0,0|2,0,0]=4 4576 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [1,1,0,0,0,0|2,0,0]=4 4577 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [1,1,0,0,0,0|2,0,0]=4 4578 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [1,1,0,0,0,0|2,0,0]=4 4579 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [1,1,0,0,0,0|2,0,0]=4 4580 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,1,0,0,0,0|2,0,0]=4 4581 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,1,0,0,0,0|2,0,0]=4 4582 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [1,1,0,0,0,0|2,0,0]=4 4583 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [1,1,0,0,0,0|2,0,0]=4 4584 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,1,0,0,0,0|2,0,0]=4 4585 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,1,0,0,0,0|2,0,0]=4 4586 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [1,1,0,0,0,0|1,0,1]=4 4587 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [1,1,0,0,0,0|1,0,1]=4 4588 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [1,1,0,0,0,0|1,0,1]=4 4589 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [1,1,0,0,0,0|1,0,1]=4 4590 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [1,1,0,0,0,0|1,0,1]=4 4591 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [1,1,0,0,0,0|1,0,1]=4 4592 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [1,1,0,0,0,0|1,0,1]=4 4593 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [1,1,0,0,0,0|1,0,1]=4 4594 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [1,1,0,0,0,0|1,0,1]=4 4595 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [1,1,0,0,0,0|1,0,1]=4 4596 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [1,1,0,0,0,0|1,0,1]=4 4597 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [1,1,0,0,0,0|1,0,1]=4 4598 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [1,1,0,0,0,0|1,0,1]=4 4599 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [1,1,0,0,0,0|1,0,1]=4 4600 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [1,1,0,0,0,0|1,0,1]=4 4601 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [1,1,0,0,0,0|1,0,1]=4 4602 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [1,1,0,0,0,0|1,0,1]=4 4603 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [1,1,0,0,0,0|1,0,1]=4 4604 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [1,1,0,0,0,0|1,0,1]=4 4605 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [1,1,0,0,0,0|1,0,1]=4 4606 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [1,1,0,0,0,0|1,0,1]=4 4607 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [1,1,0,0,0,0|1,0,1]=4 4608 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [1,1,0,0,0,0|0,0,2]=4 4609 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [1,1,0,0,0,0|0,0,2]=4 4610 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [1,1,0,0,0,0|0,0,2]=4 4611 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [1,1,0,0,0,0|0,0,2]=4 4612 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [1,1,0,0,0,0|0,0,2]=4 4613 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [1,1,0,0,0,0|0,0,2]=4 4614 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [1,1,0,0,0,0|2,0,0]=4 4615 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [1,1,0,0,0,0|2,0,0]=4 4616 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [1,1,0,0,0,0|2,0,0]=4 4617 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [1,1,0,0,0,0|1,0,1]=4 4618 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [1,1,0,0,0,0|1,0,0]=3 4619 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [1,1,0,0,0,0|1,0,0]=3 4620 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [1,1,0,0,0,0|1,0,1]=4 4621 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [1,1,0,0,0,0|1,0,1]=4 4622 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|1,0,1]=4 4623 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|1,0,1]=4 4624 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|1,0,1]=4 4625 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 4626 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 4627 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|1,0,1]=4 4628 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|1,0,1]=4 4629 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|1,0,1]=4 4630 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 4631 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|1,0,1]=4 4632 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 4633 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|1,0,1]=4 4634 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|1,0,1]=4 4635 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,1,0,0,0,0|2,0,0]=4 4636 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,1,0,0,0,0|2,0,0]=4 4637 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|0,0,1]=3 4638 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|0,0,1]=3 4639 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|0,0,1]=3 4640 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|0,0,1]=3 4641 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,1,0,0,0,0|1,0,1]=4 4642 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,1,0,0,0,0|1,0,1]=4 4643 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,1,0,0,0,0|1,0,1]=4 4644 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,1,0,0,0,0|1,0,1]=4 4645 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,1,0,0,0,0|1,0,1]=4 4646 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,1,0,0,0,0|1,0,1]=4 4647 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|0,1,1]=4 4648 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|0,1,1]=4 4649 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,1,0,0,0,0|2,0,0]=4 4650 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,1,0,0,0,0|2,0,0]=4 4651 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,1,0,0,0,0|2,0,0]=4 4652 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,1,0,0,0,0|2,0,0]=4 4653 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|1,0,1]=4 4654 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [1,1,0,0,0,0|1,0,1]=4 4655 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [1,1,0,0,0,0|1,0,1]=4 4656 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [1,1,0,0,0,0|1,0,1]=4 4657 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [1,1,0,0,0,0|1,0,1]=4 4658 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|0,0,1]=3 4659 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|0,0,1]=3 4660 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,1,0,0,0,0|1,0,1]=4 4661 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,1,0,0,0,0|1,0,1]=4 4662 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [1,1,0,0,0,0|0,0,1]=3 4663 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [1,1,0,0,0,0|0,0,1]=3 4664 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [1,1,0,0,0,0|0,0,1]=3 4665 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [1,1,0,0,0,0|0,0,1]=3 4666 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [1,1,0,0,0,0|0,0,1]=3 4667 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [1,1,0,0,0,0|0,0,1]=3 4668 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [1,1,0,0,0,0|0,1,1]=4 4669 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [1,1,0,0,0,0|0,1,1]=4 4670 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [1,1,0,0,0,0|0,0,1]=3 4671 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [1,1,0,0,0,0|0,0,1]=3 4672 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [1,1,0,0,0,0|1,0,1]=4 4673 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,1,0,0,0,0|1,0,1]=4 4674 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [1,1,0,0,0,0|0,0,1]=3 4675 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [1,1,0,0,0,0|0,0,1]=3 4676 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [1,1,0,0,0,0|1,0,1]=4 4677 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [1,1,0,0,0,0|1,0,1]=4 4678 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [1,1,0,0,0,0|1,0,1]=4 4679 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [1,1,0,0,0,0|1,0,1]=4 4680 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [1,1,0,0,0,0|0,0,1]=3 4681 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [1,1,0,0,0,0|1,0,1]=4 4682 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [1,1,0,0,0,0|1,0,1]=4 4683 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [1,1,0,0,0,0|1,0,1]=4 4684 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [1,1,0,0,0,0|1,0,1]=4 4685 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [1,1,0,0,0,0|1,0,1]=4 4686 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [1,1,0,0,0,0|0,0,1]=3 4687 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [1,1,0,0,0,0|1,0,1]=4 4688 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [1,1,0,0,0,0|0,0,1]=3 4689 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [1,1,0,0,0,0|0,0,1]=3 4690 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [1,1,0,0,0,0|1,0,1]=4 4691 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [1,1,0,0,0,0|1,0,1]=4 4692 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [1,1,0,0,0,0|1,0,1]=4 4693 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [1,1,0,0,0,0|1,0,1]=4 4694 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|0,1,1]=4 4695 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|0,1,1]=4 4696 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [1,1,0,0,0,0|0,1,1]=4 4697 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [1,1,0,0,0,0|0,1,1]=4 4698 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [1,1,0,0,0,0|0,1,1]=4 4699 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [1,1,0,0,0,0|0,1,1]=4 4700 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [1,1,0,0,0,0|2,0,0]=4 4701 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [1,1,0,0,0,0|2,0,0]=4 4702 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [1,1,0,0,0,0|2,0,0]=4 4703 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [1,1,0,0,0,0|2,0,0]=4 4704 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [1,1,0,0,0,0|2,0,0]=4 4705 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [1,1,0,0,0,0|1,0,1]=4 4706 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [1,1,0,0,0,0|2,0,0]=4 4707 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [1,1,0,0,0,0|1,0,1]=4 4708 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [1,1,0,0,0,0|1,0,1]=4 4709 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [1,1,0,0,0,0|1,0,1]=4 4710 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [1,1,0,0,0,0|2,0,0]=4 4711 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [1,1,0,0,0,0|2,0,0]=4 4712 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [1,1,0,0,0,0|2,0,0]=4 4713 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [1,1,0,0,0,0|2,0,0]=4 4714 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [1,1,0,0,0,0|2,0,0]=4 4715 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [1,1,0,0,0,0|1,0,1]=4 4716 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [1,1,0,0,0,0|0,0,1]=3 4717 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [1,1,0,0,0,0|0,0,1]=3 4718 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [1,1,0,0,0,0|0,0,1]=3 4719 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [1,1,0,0,0,0|0,0,1]=3 4720 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [1,1,0,0,0,0|1,0,1]=4 4721 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [1,1,0,0,0,0|1,0,1]=4 4722 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [1,1,0,0,0,0|1,0,1]=4 4723 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [1,1,0,0,0,0|1,0,1]=4 4724 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [1,1,0,0,0,0|1,0,1]=4 4725 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [1,1,0,0,0,0|1,0,1]=4 4726 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [1,1,0,0,0,0|1,0,1]=4 4727 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [1,1,0,0,0,0|1,0,1]=4 4728 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [1,1,0,0,0,0|1,0,1]=4 4729 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [1,1,0,0,0,0|1,0,1]=4 4730 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [1,1,0,0,0,0|1,0,1]=4 4731 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [1,1,0,0,0,0|0,1,1]=4 4732 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [1,1,0,0,0,0|0,1,1]=4 4733 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [1,1,0,0,0,0|2,0,0]=4 4734 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [1,1,0,0,0,0|0,0,1]=3 4735 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [1,1,0,0,0,0|0,0,1]=3 4736 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [1,1,0,0,0,0|0,0,1]=3 4737 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [1,1,0,0,0,0|0,0,1]=3 4738 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [1,1,0,0,0,0|1,0,1]=4 4739 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [1,1,0,0,0,0|1,0,1]=4 4740 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [1,1,0,0,0,0|1,0,1]=4 4741 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [1,1,0,0,0,0|1,0,1]=4 4742 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [1,1,0,0,0,0|1,0,1]=4 4743 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [1,1,0,0,0,0|1,0,1]=4 4744 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [1,1,0,0,0,0|1,0,1]=4 4745 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [1,1,0,0,0,0|1,0,1]=4 4746 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [1,1,0,0,0,0|0,1,1]=4 4747 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [1,1,0,0,0,0|0,1,1]=4 4748 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [1,1,0,0,0,0|0,0,1]=3 4749 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [1,1,0,0,0,0|1,0,1]=4 4750 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [1,1,0,0,0,0|1,0,1]=4 4751 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [1,1,0,0,0,0|2,0,0]=4 4752 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [1,1,0,0,0,0|2,0,0]=4 4753 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [1,1,0,0,0,0|2,0,0]=4 4754 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [1,1,0,0,0,0|2,0,0]=4 4755 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [1,1,0,0,0,0|1,0,1]=4 4756 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [1,1,0,0,0,0|0,0,1]=3 4757 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [1,1,0,0,0,0|0,0,1]=3 4758 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [1,1,0,0,0,0|0,0,1]=3 4759 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [1,1,0,0,0,0|1,0,1]=4 4760 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [1,1,0,0,0,0|1,0,1]=4 4761 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [1,1,0,0,0,0|1,0,1]=4 4762 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [1,1,0,0,0,0|0,1,1]=4 4763 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [1,1,0,0,0,0|0,1,1]=4 4764 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [1,1,0,0,0,0|1,0,1]=4 4765 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [1,1,0,0,0,0|1,0,1]=4 4766 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [1,1,0,0,0,0|1,0,1]=4 4767 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [1,1,0,0,0,0|1,0,1]=4 4768 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [1,1,0,0,0,0|1,0,1]=4 4769 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [1,1,0,0,0,0|1,0,1]=4 4770 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [1,1,0,0,0,0|1,0,1]=4 4771 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [1,1,0,0,0,0|1,0,1]=4 4772 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [1,1,0,0,0,0|1,0,1]=4 4773 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [1,1,0,0,0,0|1,0,1]=4 4774 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [1,1,0,0,0,0|1,0,1]=4 4775 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [1,1,0,0,0,0|2,0,0]=4 4776 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [1,1,0,0,0,0|0,0,1]=3 4777 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [1,1,0,0,0,0|0,0,1]=3 4778 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [1,1,0,0,0,0|1,0,1]=4 4779 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [1,1,0,0,0,0|1,0,1]=4 4780 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [1,1,0,0,0,0|1,0,1]=4 4781 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [1,1,0,0,0,0|1,0,1]=4 4782 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [1,1,0,0,0,0|1,0,1]=4 4783 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [1,1,0,0,0,0|1,0,1]=4 4784 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [1,1,0,0,0,0|1,0,1]=4 4785 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [1,1,0,0,0,0|1,0,1]=4 4786 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [1,1,0,0,0,0|1,0,1]=4 4787 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [1,1,0,0,0,0|1,0,1]=4 4788 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [1,1,0,0,0,0|1,0,1]=4 4789 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [1,1,0,0,0,0|1,0,1]=4 4790 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [1,1,0,0,0,0|1,0,1]=4 4791 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [1,1,0,0,0,0|1,0,1]=4 4792 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [1,1,0,0,0,0|1,0,1]=4 4793 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [1,1,0,0,0,0|1,0,1]=4 4794 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [1,1,0,0,0,0|1,0,1]=4 4795 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [1,1,0,0,0,0|1,0,1]=4 4796 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [1,1,0,0,0,0|1,0,1]=4 4797 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [1,1,0,0,0,0|1,0,1]=4 4798 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [1,1,0,0,0,0|1,0,1]=4 4799 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [1,1,0,0,0,0|1,0,1]=4 4800 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [1,1,0,0,0,0|1,0,1]=4 4801 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [1,1,0,0,0,0|1,0,1]=4 4802 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [1,1,0,0,0,0|1,0,1]=4 4803 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [1,1,0,0,0,0|1,0,1]=4 4804 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [1,1,0,0,0,0|2,0,0]=4 4805 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [1,1,0,0,0,0|2,0,0]=4 4806 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [1,1,0,0,0,0|2,0,0]=4 4807 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [1,1,0,0,0,0|2,0,0]=4 4808 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [1,1,0,0,0,0|2,0,0]=4 4809 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [1,1,0,0,0,0|0,0,1]=3 4810 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [1,1,0,0,0,0|0,0,1]=3 4811 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [1,1,0,0,0,0|0,0,1]=3 4812 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [1,1,0,0,0,0|0,0,1]=3 4813 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [1,1,0,0,0,0|1,0,1]=4 4814 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [1,1,0,0,0,0|1,0,1]=4 4815 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [1,1,0,0,0,0|1,0,1]=4 4816 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [1,1,0,0,0,0|1,0,1]=4 4817 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [1,1,0,0,0,0|1,0,1]=4 4818 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [1,1,0,0,0,0|1,0,1]=4 4819 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [1,1,0,0,0,0|0,1,1]=4 4820 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [1,1,0,0,0,0|0,1,1]=4 4821 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [1,1,0,0,0,0|1,0,1]=4 4822 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [1,1,0,0,0,0|1,0,1]=4 4823 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [1,1,0,0,0,0|1,0,1]=4 4824 B11R0.59 C=C(C)CCC(=O)C(C)CCC 1458a_100000210906_100000730704 [1,1,0,0,0,0|1,0,0]=3 4825 B11R0.59 C=C(C)CCC(=O)C(C)CCC 1458a_200000688413_100000766640 [1,1,0,0,0,0|1,0,0]=3 4826 B11R0.59 C=C(C)CCC(=O)C(C)CCO 1458a_200000688413_100009893172 [1,1,0,0,0,0|2,0,0]=4 4827 B11R0.59 C=C(C)CCC(=O)C(C)COC 1458a_100000751857_100000730704 [1,1,0,0,0,0|2,0,0]=4 4828 B11R0.59 C=C(C)CCC(=O)C(C)COC 1458a_200000688413_100000765312 [1,1,0,0,0,0|2,0,0]=4 4829 B11R0.59 C=C(C)CCC(=O)C(C)CSC 1458a_100000753918_100000730704 [1,1,0,0,0,0|2,0,0]=4 4830 B11R0.59 C=C(C)CCC(=O)C(C)OCC 1458a_100000739345_100000730704 [1,1,0,0,0,0|2,0,0]=4 4831 B11R0.59 C=C(C)CCC(=O)C(C)SCC 1458a_100000230601_100000730704 [1,1,0,0,0,0|2,0,0]=4 4832 B11R0.59 C=C(C)CCC(=O)N(C)CCC 11a_100000747261_200000688413 [1,1,0,0,0,0|2,0,0]=4 4833 B11R0.59 C=C(C)CCC(=O)N(C)CCC 1626a_100000747261_200000688413 [1,1,0,0,0,0|2,0,0]=4 4834 B11R0.59 C=C(C)CCC(=O)N(C)CCC 240690a_100000747261_200000688413 [1,1,0,0,0,0|2,0,0]=4 4835 B11R0.59 C=C(C)CCC(=O)N(C)CCC 527a_100000747261_200000688413 [1,1,0,0,0,0|2,0,0]=4 4836 B11R0.59 C=C(C)CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000730704 [1,1,0,0,0,0|1,0,0]=3 4837 B11R0.59 C=C(C)CNC(=O)C(C)CCC 11a_100000765925_100000210906 [1,1,0,0,0,0|2,0,0]=4 4838 B11R0.59 C=C(C)CNC(=O)C(C)CCC 1626a_100000765925_100000210906 [1,1,0,0,0,0|2,0,0]=4 4839 B11R0.59 C=C(C)CNC(=O)C(C)CCC 240690a_100000765925_100000210906 [1,1,0,0,0,0|2,0,0]=4 4840 B11R0.59 C=C(C)CNC(=O)C(C)CCC 527a_100000765925_100000210906 [1,1,0,0,0,0|2,0,0]=4 4841 B11R0.59 C=C(C)CNC(=O)[C@@H](O)CCC 240690a_100000765925_100009822183 [1,1,0,0,0,0|2,0,0]=4 4842 B11R0.59 CC(=O)NCC(=O)C(C)CCO 1458a_100000194580_100009893172 [1,1,0,0,0,0|2,0,0]=4 4843 B11R0.59 CC(=O)OCC(=O)C(C)CCO 1458a_100000183556_100009893172 [1,1,0,0,0,0|2,0,0]=4 4844 B11R0.59 CC(=O)SCC(=O)C(C)CCO 1458a_100000049016_100009893172 [1,1,0,0,0,0|2,0,0]=4 4845 B11R0.59 CC(CCO)C(=O)CCC(=O)N 1458a_100011215257_100009893172 [1,1,0,0,0,0|2,0,0]=4 4846 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100000210906_100000761012 [1,1,0,0,0,0|1,0,1]=4 4847 B11R0.59 CCCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000766640 [1,1,0,0,0,0|1,0,1]=4 4848 B11R0.59 CCCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000766640 [1,1,0,0,0,0|1,0,0]=3 4849 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000181311_100000766640 [1,1,0,0,0,0|1,0,1]=4 4850 B11R0.59 CCCC(C)C(=O)CCC(C)C 1458a_100000210906_100000210312 [1,1,0,0,0,0|1,0,1]=4 4851 B11R0.59 CCCC(C)C(=O)CCC(C)O 1458a_100000210906_100012276601 [1,1,0,0,0,0|0,0,2]=4 4852 B11R0.59 CCCC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000766640 [1,1,0,0,0,0|2,0,0]=4 4853 B11R0.59 CCCC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000766640 [1,1,0,0,0,0|2,0,0]=4 4854 B11R0.59 CCCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000766640 [1,1,0,0,0,0|1,0,0]=3 4855 B11R0.59 CCCC(C)C(=O)CNC(=O)N 1458a_100000184981_100000766640 [1,1,0,0,0,0|2,0,0]=4 4856 B11R0.59 CCCC(C)C(=O)COC(=O)C 1458a_100000183556_100000766640 [1,1,0,0,0,0|1,0,0]=3 4857 B11R0.59 CCCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000766640 [1,1,0,0,0,0|1,0,0]=3 4858 B11R0.59 CCCC(C)C(=O)NCC(=O)N 11a_100000711301_100000210906 [1,1,0,0,0,0|2,0,0]=4 4859 B11R0.59 CCCC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210906 [1,1,0,0,0,0|2,0,0]=4 4860 B11R0.59 CCCC(C)C(=O)NCC(=O)N 527a_100000711301_100000210906 [1,1,0,0,0,0|2,0,0]=4 4861 B11R0.59 CCCC(C)C(=O)NNC(=O)C 22a_100000189765_100000210906 [1,1,0,0,0,0|2,0,0]=4 4862 B11R0.59 CCCN(C)C(=O)CCC(=O)N 240690a_100000747261_100011215257 [1,1,0,0,0,0|2,0,0]=4 4863 B11R0.59 CCCN(C)C(=O)CCC(=O)N 527a_100000747261_100011215257 [1,1,0,0,0,0|2,0,0]=4 4864 B11R0.59 CCCN(C)C(=O)CNC(=O)C 11a_100000747261_100000194580 [1,1,0,0,0,0|2,0,0]=4 4865 B11R0.59 CCCN(C)C(=O)CNC(=O)C 1626a_100000747261_100000194580 [1,1,0,0,0,0|2,0,0]=4 4866 B11R0.59 CCCN(C)C(=O)CNC(=O)C 240690a_100000747261_100000194580 [1,1,0,0,0,0|2,0,0]=4 4867 B11R0.59 CCCN(C)C(=O)CNC(=O)C 527a_100000747261_100000194580 [1,1,0,0,0,0|2,0,0]=4 4868 B11R0.59 CCCN(C)C(=O)COC(=O)C 1626a_100000747261_100000183556 [1,1,0,0,0,0|2,0,0]=4 4869 B11R0.59 CCCN(C)C(=O)COC(=O)C 240690a_100000747261_100000183556 [1,1,0,0,0,0|2,0,0]=4 4870 B11R0.59 CCCN(C)C(=O)COC(=O)C 527a_100000747261_100000183556 [1,1,0,0,0,0|2,0,0]=4 4871 B11R0.59 CCCN(C)C(=O)CSC(=O)C 11a_100000747261_100000049016 [1,1,0,0,0,0|2,0,0]=4 4872 B11R0.59 CCCN(C)C(=O)CSC(=O)C 1626a_100000747261_100000049016 [1,1,0,0,0,0|2,0,0]=4 4873 B11R0.59 CCCN(C)C(=O)CSC(=O)C 240690a_100000747261_100000049016 [1,1,0,0,0,0|2,0,0]=4 4874 B11R0.59 CCC[C@H](O)C(=O)CC=C(C)C 1458a_100009822183_100000761012 [1,1,0,0,0,0|1,0,1]=4 4875 B11R0.59 CCC[C@H](O)C(=O)CCC(C)C 1458a_100009822183_100000210312 [1,1,0,0,0,0|1,0,1]=4 4876 B11R0.59 CCC[C@H](O)C(=O)CCC(C)O 1458a_100009822183_100012276601 [1,1,0,0,0,0|0,0,2]=4 4877 B11R0.59 CCC[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_100009822183 [1,1,0,0,0,0|2,0,0]=4 4878 B11R0.59 CCC[C@H](O)C(=O)NNC(=O)C 22a_100000189765_100009822183 [1,1,0,0,0,0|2,0,0]=4 4879 B11R0.59 COCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000765312 [1,1,0,0,0,0|2,0,0]=4 4880 B11R0.59 COCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000765312 [1,1,0,0,0,0|2,0,0]=4 4881 B11R0.59 COCC(C)C(=O)COC(=O)C 1458a_100000183556_100000765312 [1,1,0,0,0,0|2,0,0]=4 4882 B11R0.59 COCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000765312 [1,1,0,0,0,0|2,0,0]=4 4883 B11R0.68 C=C(C)CN(C)C(=O)CCCC 11a_100000225649_100000210183 [1,1,0,0,0,0|2,0,0]=4 4884 B11R0.68 C=C(C)CN(C)C(=O)CCCC 1626a_100000225649_100000210183 [1,1,0,0,0,0|2,0,0]=4 4885 B11R0.68 C=C(C)CN(C)C(=O)CCCC 527a_100000225649_100000210183 [1,1,0,0,0,0|2,0,0]=4 4886 B11R0.68 CC(=O)N[C@H](C)C(=O)CCCF 1458a_100011504603_100011934791 [1,1,0,0,0,0|2,0,0]=4 4887 B11R0.68 CC(=O)N[C@H](C)C(=O)CCCO 1458a_100011504603_100011215043 [1,1,0,0,0,0|2,0,0]=4 4888 B11R0.68 CC(=O)O[C@@H](C)C(=O)CCCF 1458a_100009816467_100011934791 [1,1,0,0,0,0|2,0,0]=4 4889 B11R0.68 CC(=O)O[C@@H](C)C(=O)CCCO 1458a_100009816467_100011215043 [1,1,0,0,0,0|2,0,0]=4 4890 B11R0.68 CCCCC(=O)C(C)CC(C)C 1458a_100000210183_100000731052 [1,1,0,0,0,0|1,0,1]=4 4891 B11R0.68 CCCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210211 [1,1,0,0,0,0|2,0,0]=4 4892 B11R0.68 CCCCC(=O)C(C)OC(=O)C 1458a_100000210183_100009818208 [1,1,0,0,0,0|1,0,0]=3 4893 B11R0.68 CCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000210183 [1,1,0,0,0,0|2,0,0]=4 4894 B11R0.68 CCCCC(=O)N(C)CC(=O)N 527a_100000739694_100000210183 [1,1,0,0,0,0|2,0,0]=4 4895 B11R0.68 CCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210211 [1,1,0,0,0,0|1,0,0]=3 4896 B11R0.68 CCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210211 [1,1,0,0,0,0|1,0,1]=4 4897 B11R0.68 CCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210211 [1,1,0,0,0,0|1,0,0]=3 4898 B11R0.68 CCCNC(=O)C(C)NC(=O)C 11a_100025744714_100015343762 [1,1,0,0,0,0|2,0,0]=4 4899 B11R0.68 CCCNC(=O)C(C)NC(=O)C 1626a_100025744714_100015343762 [1,1,0,0,0,0|2,0,0]=4 4900 B11R0.68 CCCNC(=O)C(C)NC(=O)C 240690a_100025744714_100015343762 [1,1,0,0,0,0|2,0,0]=4 4901 B11R0.68 CCCNC(=O)C(C)NC(=O)C 527a_100025744714_100103153847 [1,1,0,0,0,0|2,0,0]=4 4902 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 11a_100020643023_100011504603 [1,1,0,0,0,0|2,0,0]=4 4903 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 1626a_100020643023_100011504603 [1,1,0,0,0,0|2,0,0]=4 4904 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 240690a_100020643023_100011504603 [1,1,0,0,0,0|2,0,0]=4 4905 B11R0.68 CCCNC(=O)[C@@H](C)NC(=O)C 527a_100020643023_100011504603 [1,1,0,0,0,0|2,0,0]=4 4906 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 11a_100020643023_100009816467 [1,1,0,0,0,0|2,0,0]=4 4907 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 1626a_100020643023_100009816467 [1,1,0,0,0,0|2,0,0]=4 4908 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 240690a_100020643023_100009816467 [1,1,0,0,0,0|2,0,0]=4 4909 B11R0.68 CCCNC(=O)[C@H](C)OC(=O)C 527a_100020643023_100009816467 [1,1,0,0,0,0|2,0,0]=4 4910 B11R0.68 CCOCC(=O)C(C)OC(=O)C 1458a_100000211967_100009818208 [1,1,0,0,0,0|2,0,0]=4 4911 B11R0.68 CCSCC(=O)C(C)OC(=O)C 1458a_100000230394_100009818208 [1,1,0,0,0,0|2,0,0]=4 4912 B11R0.68 COCCC(=O)C(C)OC(=O)C 1458a_100000749529_100009818208 [1,1,0,0,0,0|2,0,0]=4 4913 B11R0.68 COCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000233755 [1,1,0,0,0,0|2,0,0]=4 4914 B11R0.68 COCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000233755 [1,1,0,0,0,0|2,0,0]=4 4915 B11R0.68 CSCCC(=O)C(C)OC(=O)C 1458a_100000174002_100009818208 [1,1,0,0,0,0|2,0,0]=4 4916 B11R0.68 CSCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000751147 [1,1,0,0,0,0|2,0,0]=4 4917 B11R0.68 CSCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000751147 [1,1,0,0,0,0|2,0,0]=4 4918 B11R0.70 C#CC(=O)COC(=O)OCCC 1458a_100000211873_200000139673 [1,1,0,0,0,0|1,0,1]=4 4919 B11R0.70 C#CCCC(=O)CCC(=O)NC 1458a_100011309844_100000753159 [1,1,0,0,0,0|0,0,2]=4 4920 B11R0.70 C#CCCC(=O)CCC(=O)OC 1458a_100000187943_100000753159 [1,1,0,0,0,0|0,0,2]=4 4921 B11R0.70 C/C=C/CC(=O)CCC(=O)NC 1458a_100011309844_100102629194 [1,1,0,0,0,0|0,0,2]=4 4922 B11R0.70 C/C=C/CC(=O)CCC(=O)OC 1458a_100000187943_100102629194 [1,1,0,0,0,0|0,0,2]=4 4923 B11R0.70 C=CC(=O)COC(=O)OCCC 1458a_100000185746_200000139673 [1,1,0,0,0,0|1,0,1]=4 4924 B11R0.70 C=CC(=O)NCC(=O)CCCC 1458a_200011222540_100000210211 [1,1,0,0,0,0|1,0,1]=4 4925 B11R0.70 C=CCCC(=O)CCC(=O)NC 1458a_100011309844_100000754431 [1,1,0,0,0,0|0,0,2]=4 4926 B11R0.70 C=CCCC(=O)CCC(=O)OC 1458a_100000187943_100000754431 [1,1,0,0,0,0|0,0,2]=4 4927 B11R0.70 CC#CCC(=O)CCC(=O)NC 1458a_100011309844_100000748600 [1,1,0,0,0,0|0,0,2]=4 4928 B11R0.70 CC#CCC(=O)CCC(=O)OC 1458a_100000187943_100000748600 [1,1,0,0,0,0|0,0,2]=4 4929 B11R0.70 CC=CCC(=O)CCC(=O)NC 1458a_100011309844_100000070051 [1,1,0,0,0,0|0,0,2]=4 4930 B11R0.70 CC=CCC(=O)CCC(=O)OC 1458a_100000187943_100000070051 [1,1,0,0,0,0|0,0,2]=4 4931 B11R0.70 CCC(=O)NCC(=O)CCCF 1458a_100000194589_100011934791 [1,1,0,0,0,0|2,0,0]=4 4932 B11R0.70 CCC(=O)NCC(=O)CCCO 1458a_100000194589_100011215043 [1,1,0,0,0,0|2,0,0]=4 4933 B11R0.70 CCC(=O)NCC(=O)CCOC 1458a_100000194589_100000233755 [1,1,0,0,0,0|2,0,0]=4 4934 B11R0.70 CCC(=O)NCC(=O)CCSC 1458a_100000194589_100000751147 [1,1,0,0,0,0|2,0,0]=4 4935 B11R0.70 CCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210211 [1,1,0,0,0,0|0,0,2]=4 4936 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [1,1,0,0,0,0|0,0,0]=2 4937 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [1,1,0,0,0,0|0,0,0]=2 4938 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [1,1,0,0,0,0|1,0,1]=4 4939 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [1,1,0,0,0,0|2,0,0]=4 4940 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [1,1,0,0,0,0|1,0,0]=3 4941 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [1,1,0,0,0,0|1,0,0]=3 4942 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [1,1,0,0,0,0|1,0,0]=3 4943 B11R0.70 CCCCC(=O)NCC(=O)NC 11a_100000693194_100000210183 [1,1,0,0,0,0|1,0,0]=3 4944 B11R0.70 CCCCC(=O)NCC(=O)NC 240690a_100000693194_100000210183 [1,1,0,0,0,0|1,0,0]=3 4945 B11R0.70 CCCCC(=O)NCC(=O)NC 527a_100000693194_100000210183 [1,1,0,0,0,0|1,0,0]=3 4946 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [1,1,0,0,0,0|1,0,0]=3 4947 B11R0.70 CCCCC(=O)NNC(=O)CC 22a_100000183195_100000210183 [1,1,0,0,0,0|2,0,0]=4 4948 B11R0.70 CCCCC(=O)NNC(=O)CC 22a_100000189769_100000210414 [1,1,0,0,0,0|2,0,0]=4 4949 B11R0.70 CCCCC(=O)NNC(=O)CO 22a_100000189769_100000210174 [1,1,0,0,0,0|2,0,0]=4 4950 B11R0.70 CCCCC(=O)NNC(=O)NC 273464a_100102657272_100000189769 [1,1,0,0,0,0|2,0,0]=4 4951 B11R0.70 CCCCC(=O)NNC(=O)NC 512a_100000189769_100102657272 [1,1,0,0,0,0|2,0,0]=4 4952 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [1,1,0,0,0,0|1,0,1]=4 4953 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [1,1,0,0,0,0|1,0,1]=4 4954 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [1,1,0,0,0,0|1,0,1]=4 4955 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [1,1,0,0,0,0|1,0,1]=4 4956 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [1,1,0,0,0,0|1,0,1]=4 4957 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [1,1,0,0,0,0|1,0,1]=4 4958 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [1,1,0,0,0,0|2,0,0]=4 4959 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [1,1,0,0,0,0|2,0,0]=4 4960 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [1,1,0,0,0,0|2,0,0]=4 4961 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [1,1,0,0,0,0|2,0,0]=4 4962 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [1,1,0,0,0,0|2,0,0]=4 4963 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [1,1,0,0,0,0|2,0,0]=4 4964 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [1,1,0,0,0,0|2,0,0]=4 4965 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [1,1,0,0,0,0|1,0,0]=3 4966 B11R0.70 CCCNC(=O)CCC(=O)CF 1458a_100000199543_100015361967 [1,1,0,0,0,0|1,0,0]=3 4967 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [1,1,0,0,0,0|1,0,0]=3 4968 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [1,1,0,0,0,0|1,0,0]=3 4969 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [1,1,0,0,0,0|1,0,0]=3 4970 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [1,1,0,0,0,0|1,0,0]=3 4971 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [1,1,0,0,0,0|1,0,0]=3 4972 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [1,1,0,0,0,0|1,0,0]=3 4973 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [1,1,0,0,0,0|1,0,0]=3 4974 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [1,1,0,0,0,0|1,0,0]=3 4975 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [1,1,0,0,0,0|1,0,0]=3 4976 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [1,1,0,0,0,0|1,0,0]=3 4977 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [1,1,0,0,0,0|1,0,0]=3 4978 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [1,1,0,0,0,0|1,0,0]=3 4979 B11R0.70 CCCNC(=O)CCS(=O)CC 11a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 4980 B11R0.70 CCCNC(=O)CCS(=O)CC 1626a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 4981 B11R0.70 CCCNC(=O)CCS(=O)CC 240690a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 4982 B11R0.70 CCCNC(=O)CCS(=O)CC 527a_100020643023_100011387550 [1,1,0,0,0,0|2,0,0]=4 4983 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100000174927_100000210414 [1,1,0,0,0,0|2,0,0]=4 4984 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100020643023_100000194589 [1,1,0,0,0,0|2,0,0]=4 4985 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100000174927_100000210414 [1,1,0,0,0,0|2,0,0]=4 4986 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100020643023_100000194589 [1,1,0,0,0,0|2,0,0]=4 4987 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100000174927_100000210414 [1,1,0,0,0,0|2,0,0]=4 4988 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100020643023_100000194589 [1,1,0,0,0,0|2,0,0]=4 4989 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100000174927_100000210414 [1,1,0,0,0,0|2,0,0]=4 4990 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100020643023_100000194589 [1,1,0,0,0,0|2,0,0]=4 4991 B11R0.70 CCCNC(=O)CNC(=O)CO 240690a_100000174927_100000210174 [1,1,0,0,0,0|2,0,0]=4 4992 B11R0.70 CCCNC(=O)CNC(=O)CO 527a_100000174927_100000210174 [1,1,0,0,0,0|2,0,0]=4 4993 B11R0.70 CCCNC(=O)CNC(=O)NC 2708a_100102657272_100000174927 [1,1,0,0,0,0|2,0,0]=4 4994 B11R0.70 CCCNC(=O)CNC(=O)NC 273464a_100000174927_100102657272 [1,1,0,0,0,0|2,0,0]=4 4995 B11R0.70 CCCNC(=O)CNC(=O)NC 273464a_100102657272_100000174927 [1,1,0,0,0,0|2,0,0]=4 4996 B11R0.70 CCCNC(=O)CNC(=O)NC 512a_100000174927_100102657272 [1,1,0,0,0,0|2,0,0]=4 4997 B11R0.70 CCCNC(=O)CNC(=O)NC 512a_106832991638_100000174927 [1,1,0,0,0,0|2,0,0]=4 4998 B11R0.70 CCCNC(=O)CNC(=O)OC 11a_100020643023_100000215747 [1,1,0,0,0,0|2,0,0]=4 4999 B11R0.70 CCCNC(=O)CNC(=O)OC 1626a_100020643023_100000215747 [1,1,0,0,0,0|2,0,0]=4 5000 B11R0.70 CCCNC(=O)CNC(=O)OC 240690a_100020643023_100000215747 [1,1,0,0,0,0|2,0,0]=4 5001 B11R0.70 CCCNC(=O)CNC(=O)OC 527a_100020643023_100000215747 [1,1,0,0,0,0|2,0,0]=4 5002 B11R0.70 CCCNC(=O)NCC(=O)NC 2708a_100020643023_100000693194 [1,1,0,0,0,0|2,0,0]=4 5003 B11R0.70 CCCNC(=O)NCC(=O)NC 273464a_100000693194_100020643023 [1,1,0,0,0,0|2,0,0]=4 5004 B11R0.70 CCCNC(=O)NCC(=O)NC 273464a_100020643023_100000693194 [1,1,0,0,0,0|2,0,0]=4 5005 B11R0.70 CCCNC(=O)NCC(=O)NC 512a_100020643023_100000693194 [1,1,0,0,0,0|2,0,0]=4 5006 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [1,1,0,0,0,0|1,0,0]=3 5007 B11R0.70 CCCOC(=O)OCC(=O)CO 1458a_100000210174_200000139673 [1,1,0,0,0,0|1,0,0]=3 5008 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [1,1,0,0,0,0|1,0,0]=3 5009 B11R0.70 CCNCC(=O)NCC(=O)OC 2230a_100015525214_100000182966 [1,1,0,0,0,0|2,0,0]=4 5010 B11R0.70 CCNNC(=O)CCC(=O)NC 22a_100000756455_100011309844 [1,1,0,0,0,0|2,0,0]=4 5011 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [1,1,0,0,0,0|1,0,0]=3 5012 B11R0.70 CCOCC(=O)NCC(=O)NC 11a_100000693194_100000211967 [1,1,0,0,0,0|2,0,0]=4 5013 B11R0.70 CCOCC(=O)NCC(=O)NC 240690a_100000693194_100000211967 [1,1,0,0,0,0|2,0,0]=4 5014 B11R0.70 CCOCC(=O)NCC(=O)NC 527a_100000693194_100000211967 [1,1,0,0,0,0|2,0,0]=4 5015 B11R0.70 CCOCC(=O)NCC(=O)OC 188690a_100000185156_100000211967 [1,1,0,0,0,0|2,0,0]=4 5016 B11R0.70 CCOCC(=O)NCC(=O)OC 34a_100121572206_100000182966 [1,1,0,0,0,0|2,0,0]=4 5017 B11R0.70 CCS(=O)CCC(=O)CCCF 1458a_100011387550_100011934791 [1,1,0,0,0,0|2,0,0]=4 5018 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [1,1,0,0,0,0|2,0,0]=4 5019 B11R0.70 CCS(=O)CCC(=O)CCOC 1458a_100011387550_100000233755 [1,1,0,0,0,0|2,0,0]=4 5020 B11R0.70 CCS(=O)CCC(=O)CCSC 1458a_100011387550_100000751147 [1,1,0,0,0,0|2,0,0]=4 5021 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [1,1,0,0,0,0|1,0,0]=3 5022 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [1,1,0,0,0,0|1,0,0]=3 5023 B11R0.70 CCSCC(=O)NCC(=O)NC 11a_100000693194_100000230394 [1,1,0,0,0,0|2,0,0]=4 5024 B11R0.70 CCSCC(=O)NCC(=O)NC 240690a_100000693194_100000230394 [1,1,0,0,0,0|2,0,0]=4 5025 B11R0.70 CCSCC(=O)NCC(=O)NC 527a_100000693194_100000230394 [1,1,0,0,0,0|2,0,0]=4 5026 B11R0.70 CCSCC(=O)NCC(=O)OC 188690a_100000185156_100000230394 [1,1,0,0,0,0|2,0,0]=4 5027 B11R0.70 CCSCC(=O)NCC(=O)OC 62a_100000182966_100000210202 [1,1,0,0,0,0|2,0,0]=4 5028 B11R0.70 CCSCC(=O)NCC(=O)OC 62a_100000210202_100000182966 [1,1,0,0,0,0|2,0,0]=4 5029 B11R0.70 CNC(=O)CCC(=O)CCC#N 1458a_100011309844_100011215226 [1,1,0,0,0,0|1,0,1]=4 5030 B11R0.70 CNC(=O)CCC(=O)CCCF 1458a_100011309844_100011934791 [1,1,0,0,0,0|1,0,0]=3 5031 B11R0.70 CNC(=O)CCC(=O)CCCO 1458a_100011309844_100011215043 [1,1,0,0,0,0|1,0,0]=3 5032 B11R0.70 CNC(=O)CCC(=O)CCOC 1458a_100011309844_100000233755 [1,1,0,0,0,0|1,0,0]=3 5033 B11R0.70 CNC(=O)CCC(=O)CCSC 1458a_100011309844_100000751147 [1,1,0,0,0,0|1,0,0]=3 5034 B11R0.70 CNC(=O)CCC(=O)NCCF 11a_100000724931_100011309844 [1,1,0,0,0,0|2,0,0]=4 5035 B11R0.70 CNC(=O)CCC(=O)NCCF 1626a_100000724931_100011309844 [1,1,0,0,0,0|2,0,0]=4 5036 B11R0.70 CNC(=O)CCC(=O)NCCF 240690a_100000724931_100011309844 [1,1,0,0,0,0|2,0,0]=4 5037 B11R0.70 CNC(=O)CCC(=O)NCCF 527a_100000724931_100011309844 [1,1,0,0,0,0|2,0,0]=4 5038 B11R0.70 CNC(=O)CCC(=O)NCCO 240690a_100000210304_100011309844 [1,1,0,0,0,0|2,0,0]=4 5039 B11R0.70 CNC(=O)CCC(=O)NCCO 527a_100000210304_100011309844 [1,1,0,0,0,0|2,0,0]=4 5040 B11R0.70 CNC(=O)CNC(=O)CCOC 11a_100000693194_100000749529 [1,1,0,0,0,0|2,0,0]=4 5041 B11R0.70 CNC(=O)CNC(=O)CCOC 240690a_100000693194_100000749529 [1,1,0,0,0,0|2,0,0]=4 5042 B11R0.70 CNC(=O)CNC(=O)CCOC 527a_100000693194_100000749529 [1,1,0,0,0,0|2,0,0]=4 5043 B11R0.70 CNC(=O)CNC(=O)CCSC 11a_100000693194_100000174002 [1,1,0,0,0,0|2,0,0]=4 5044 B11R0.70 CNC(=O)CNC(=O)CCSC 240690a_100000693194_100000174002 [1,1,0,0,0,0|2,0,0]=4 5045 B11R0.70 CNC(=O)CNC(=O)CCSC 527a_100000693194_100000174002 [1,1,0,0,0,0|2,0,0]=4 5046 B11R0.70 COC(=O)CCC(=O)CCC#N 1458a_100000187943_100011215226 [1,1,0,0,0,0|1,0,1]=4 5047 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [1,1,0,0,0,0|1,0,0]=3 5048 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [1,1,0,0,0,0|1,0,0]=3 5049 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [1,1,0,0,0,0|1,0,0]=3 5050 B11R0.70 COC(=O)CCC(=O)CSCF 62a_100000691467_100015361967 [1,1,0,0,0,0|2,0,0]=4 5051 B11R0.70 COC(=O)CCC(=O)CSCF 62a_100015361967_100000691467 [1,1,0,0,0,0|2,0,0]=4 5052 B11R0.70 COC(=O)CCC(=O)NCCF 11a_100000724931_100000187943 [1,1,0,0,0,0|2,0,0]=4 5053 B11R0.70 COC(=O)CCC(=O)NCCF 1626a_100000724931_100000187943 [1,1,0,0,0,0|2,0,0]=4 5054 B11R0.70 COC(=O)CCC(=O)NCCF 240690a_100000724931_100000187943 [1,1,0,0,0,0|2,0,0]=4 5055 B11R0.70 COC(=O)CCC(=O)NCCF 527a_100000724931_100000187943 [1,1,0,0,0,0|2,0,0]=4 5056 B11R0.70 COC(=O)CCC(=O)NCCO 240690a_100000210304_100000187943 [1,1,0,0,0,0|2,0,0]=4 5057 B11R0.70 COC(=O)CCC(=O)NCCO 527a_100000210304_100000187943 [1,1,0,0,0,0|2,0,0]=4 5058 B11R0.70 COC(=O)CNC(=O)CCSC 188690a_100000185156_100000174002 [1,1,0,0,0,0|2,0,0]=4 5059 B11R0.70 COC(=O)NCC(=O)CCCF 1458a_100000215747_100011934791 [1,1,0,0,0,0|2,0,0]=4 5060 B11R0.70 COC(=O)NCC(=O)CCCO 1458a_100000215747_100011215043 [1,1,0,0,0,0|2,0,0]=4 5061 B11R0.70 COC(=O)NCC(=O)CCSC 1458a_100000215747_100000751147 [1,1,0,0,0,0|2,0,0]=4 5062 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [1,1,0,0,0,0|1,0,0]=3 5063 B11R0.70 COCCC(=O)CNC(=O)OC 1458a_100000215747_100000233755 [1,1,0,0,0,0|2,0,0]=4 5064 B11R0.70 COCCC(=O)NCC(=O)OC 188690a_100000185156_100000749529 [1,1,0,0,0,0|2,0,0]=4 5065 B11R0.82 CCCCC(=O)CCC(C)(C)C 1458a_100000210183_100000755188 [1,1,0,0,0,0|1,0,1]=4 5066 B11R0.82 CCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210211 [1,1,0,0,0,0|1,0,1]=4 5067 B11R0.82 CCCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210211 [1,1,0,0,0,0|1,0,1]=4 5068 B11R0.82 CCCCC(=O)CCS(=O)(=O)C 1458a_100000210183_100000731031 [1,1,0,0,0,0|1,0,0]=3 5069 B11R0.82 CCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210211 [1,1,0,0,0,0|1,0,0]=3 5070 B11R0.82 CCCCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210211 [1,1,0,0,0,0|2,0,0]=4 5071 B11R0.82 CCCCC(=O)CCS(=O)(=O)[O-] 1458a_100000210183_100000762736 [1,1,0,0,0,0|2,0,0]=4 5072 B11R0.82 CCCCC(=O)CC[N+](C)(C)C 1458a_100000210183_100000085578 [1,1,0,0,0,0|2,0,0]=4 5073 B11R0.82 CCCCC(=O)CC[Si](C)(C)C 1458a_100000210183_200000733723 [1,1,0,0,0,0|1,1,0]=4 5074 B11R0.82 CCCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210211 [1,1,0,0,0,0|1,1,0]=4 5075 B11R0.82 CCCCC(=O)CNS(=O)(=O)C 1458a_100000737300_100000210211 [1,1,0,0,0,0|2,0,0]=4 5076 B11R0.82 CCCNC(=O)CCS(=O)(=O)C 11a_100020643023_100000737124 [1,1,0,0,0,0|2,0,0]=4 5077 B11R0.82 CCCNC(=O)CCS(=O)(=O)C 1626a_100020643023_100000737124 [1,1,0,0,0,0|2,0,0]=4 5078 B11R0.82 CCCNC(=O)CCS(=O)(=O)C 240690a_100020643023_100000737124 [1,1,0,0,0,0|2,0,0]=4 5079 B11R0.82 CCCNC(=O)CCS(=O)(=O)C 527a_100020643023_100000737124 [1,1,0,0,0,0|2,0,0]=4 5080 B11R0.82 CCNCC(=O)CCS(=O)(=O)C 2230a_100015525214_100103131435 [1,1,0,0,0,0|2,0,0]=4 5081 B11R0.82 CCOCC(=O)CCS(=O)(=O)C 1458a_100000211967_100000731031 [1,1,0,0,0,0|2,0,0]=4 5082 B11R0.82 CCOCC(=O)CCS(=O)(=O)C 34a_100121572206_100103131435 [1,1,0,0,0,0|2,0,0]=4 5083 B11R0.82 CCSCC(=O)CCS(=O)(=O)C 1458a_100000230394_100000731031 [1,1,0,0,0,0|2,0,0]=4 5084 B11R0.82 CCSCC(=O)CCS(=O)(=O)C 62a_100000210202_100103131435 [1,1,0,0,0,0|2,0,0]=4 5085 B11R0.82 CCSCC(=O)CCS(=O)(=O)C 62a_100103131435_100000210202 [1,1,0,0,0,0|2,0,0]=4 5086 B11R0.82 COCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000233755 [1,1,0,0,0,0|2,0,0]=4 5087 B11R0.82 COCCC(=O)CCS(=O)(=O)C 1458a_100000749529_100000731031 [1,1,0,0,0,0|2,0,0]=4 5088 B11R0.82 CS(=O)(=O)CCC(=O)CCCF 1458a_100000737124_100011934791 [1,1,0,0,0,0|2,0,0]=4 5089 B11R0.82 CS(=O)(=O)CCC(=O)CCCO 1458a_100000737124_100011215043 [1,1,0,0,0,0|2,0,0]=4 5090 B11R0.82 CSCCC(=O)CCS(=O)(=O)C 1458a_100000174002_100000731031 [1,1,0,0,0,0|2,0,0]=4 5091 B11R0.82 CSCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000751147 [1,1,0,0,0,0|2,0,0]=4 5092 B11R0.85 C=C(C)CCC(=O)CCC(=C)C 1458a_200000688413_100000730704 [1,1,0,0,0,0|1,0,1]=4 5093 B11R0.85 C=C(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000730704 [1,1,0,0,0,0|1,0,1]=4 5094 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_100000181311_100000730704 [1,1,0,0,0,0|1,0,0]=3 5095 B11R0.85 C=C(C)CCC(=O)CCC(C)C 1458a_200000688413_100000210312 [1,1,0,0,0,0|1,0,0]=3 5096 B11R0.85 C=C(C)CCC(=O)CCC(C)O 1458a_200000688413_100012276601 [1,1,0,0,0,0|1,0,0]=3 5097 B11R0.85 C=C(C)CCC(=O)CC[S+](C)C 1458a_100009452791_100000730704 [1,1,0,0,0,0|2,0,0]=4 5098 B11R0.85 C=C(C)CCC(=O)CNC(=O)C 1458a_100000194580_100000730704 [1,1,0,0,0,0|1,0,1]=4 5099 B11R0.85 C=C(C)CCC(=O)COC(=O)C 1458a_100000183556_100000730704 [1,1,0,0,0,0|1,0,1]=4 5100 B11R0.85 C=C(C)CCC(=O)COC(C)C 1458a_100000745533_100000730704 [1,1,0,0,0,0|2,0,0]=4 5101 B11R0.85 C=C(C)CCC(=O)CSC(=O)C 1458a_100000049016_100000730704 [1,1,0,0,0,0|1,0,1]=4 5102 B11R0.85 C=C(C)CCC(=O)CSC(C)C 1458a_100000241585_100000730704 [1,1,0,0,0,0|2,0,0]=4 5103 B11R0.85 C=C(C)CCC(=O)NCC(C)C 11a_100000210953_200000688413 [1,1,0,0,0,0|2,0,0]=4 5104 B11R0.85 C=C(C)CCC(=O)NCC(C)C 1626a_100000210953_200000688413 [1,1,0,0,0,0|2,0,0]=4 5105 B11R0.85 C=C(C)CCC(=O)NCC(C)C 240690a_100000210953_200000688413 [1,1,0,0,0,0|2,0,0]=4 5106 B11R0.85 C=C(C)CCC(=O)NCC(C)C 527a_100000210953_200000688413 [1,1,0,0,0,0|2,0,0]=4 5107 B11R0.85 C=C(C)CCC(=O)NCC(C)O 11a_100000210904_200000688413 [1,1,0,0,0,0|2,0,0]=4 5108 B11R0.85 C=C(C)CCC(=O)NCC(C)O 240690a_100000210904_200000688413 [1,1,0,0,0,0|2,0,0]=4 5109 B11R0.85 C=C(C)CCC(=O)NCC(C)O 527a_100000210904_200000688413 [1,1,0,0,0,0|2,0,0]=4 5110 B11R0.85 C=C(C)CNC(=O)CCC(C)C 11a_100000765925_100000181311 [1,1,0,0,0,0|2,0,0]=4 5111 B11R0.85 C=C(C)CNC(=O)CCC(C)C 1626a_100000765925_100000181311 [1,1,0,0,0,0|2,0,0]=4 5112 B11R0.85 C=C(C)CNC(=O)CCC(C)C 240690a_100000765925_100000181311 [1,1,0,0,0,0|2,0,0]=4 5113 B11R0.85 C=C(C)CNC(=O)CCC(C)C 527a_100000765925_100000181311 [1,1,0,0,0,0|2,0,0]=4 5114 B11R0.85 C=C(C)CNC(=O)CCC(C)O 1626a_100000765925_100000718519 [1,1,0,0,0,0|2,0,0]=4 5115 B11R0.85 CC(=CCC(=O)CCC(C)C)C 1458a_100000181311_100000761012 [1,1,0,0,0,0|1,0,1]=4 5116 B11R0.85 CC(=CCC(=O)CCC(C)C)C 1458a_100011220947_100000210312 [1,1,0,0,0,0|1,0,1]=4 5117 B11R0.85 CC(=CCC(=O)CCC(C)O)C 1458a_100011220947_100012276601 [1,1,0,0,0,0|1,0,1]=4 5118 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [1,1,0,0,0,0|2,0,0]=4 5119 B11R0.85 CC(=O)CNC(=O)CCC(C)C 1458a_100000205584_200000210301 [1,1,0,0,0,0|1,0,0]=3 5120 B11R0.85 CC(=O)NCC(=O)CCC(C)C 1458a_100000194580_100000210312 [1,1,0,0,0,0|1,0,0]=3 5121 B11R0.85 CC(=O)NCC(=O)CCC(C)O 1458a_100000194580_100012276601 [1,1,0,0,0,0|1,0,0]=3 5122 B11R0.85 CC(=O)NCC(=O)NCC(C)C 11a_100000210953_100000194580 [1,1,0,0,0,0|2,0,0]=4 5123 B11R0.85 CC(=O)NCC(=O)NCC(C)C 1626a_100000210953_100000194580 [1,1,0,0,0,0|2,0,0]=4 5124 B11R0.85 CC(=O)NCC(=O)NCC(C)C 240690a_100000210953_100000194580 [1,1,0,0,0,0|2,0,0]=4 5125 B11R0.85 CC(=O)NCC(=O)NCC(C)C 527a_100000210953_100000194580 [1,1,0,0,0,0|2,0,0]=4 5126 B11R0.85 CC(=O)NCC(=O)NCC(C)O 11a_100000210904_100000194580 [1,1,0,0,0,0|2,0,0]=4 5127 B11R0.85 CC(=O)NCC(=O)NCC(C)O 240690a_100000210904_100000194580 [1,1,0,0,0,0|2,0,0]=4 5128 B11R0.85 CC(=O)NCC(=O)NCC(C)O 527a_100000210904_100000194580 [1,1,0,0,0,0|2,0,0]=4 5129 B11R0.85 CC(=O)NNC(=O)CCC(C)C 22a_100000189765_100000181311 [1,1,0,0,0,0|2,0,0]=4 5130 B11R0.85 CC(=O)OCC(=O)CCC(C)C 1458a_100000183556_100000210312 [1,1,0,0,0,0|1,0,0]=3 5131 B11R0.85 CC(=O)OCC(=O)CCC(C)O 1458a_100000183556_100012276601 [1,1,0,0,0,0|1,0,0]=3 5132 B11R0.85 CC(=O)OCC(=O)CNC(C)C 34a_100138425928_100000036994 [1,1,0,0,0,0|2,0,0]=4 5133 B11R0.85 CC(=O)OCC(=O)COC(C)C 34a_100000212225_100000036994 [1,1,0,0,0,0|2,0,0]=4 5134 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000036994_100000210206 [1,1,0,0,0,0|2,0,0]=4 5135 B11R0.85 CC(=O)OCC(=O)CSC(C)C 62a_100000210206_100000036994 [1,1,0,0,0,0|2,0,0]=4 5136 B11R0.85 CC(=O)OCC(=O)NCC(C)C 1626a_100000210953_100000183556 [1,1,0,0,0,0|2,0,0]=4 5137 B11R0.85 CC(=O)OCC(=O)NCC(C)C 240690a_100000210953_100000183556 [1,1,0,0,0,0|2,0,0]=4 5138 B11R0.85 CC(=O)OCC(=O)NCC(C)C 527a_100000210953_100000183556 [1,1,0,0,0,0|2,0,0]=4 5139 B11R0.85 CC(=O)OCC(=O)NCC(C)O 240690a_100000210904_100000183556 [1,1,0,0,0,0|2,0,0]=4 5140 B11R0.85 CC(=O)OCC(=O)NCC(C)O 527a_100000210904_100000183556 [1,1,0,0,0,0|2,0,0]=4 5141 B11R0.85 CC(=O)SCC(=O)CCC(C)C 1458a_100000049016_100000210312 [1,1,0,0,0,0|1,0,0]=3 5142 B11R0.85 CC(=O)SCC(=O)CCC(C)O 1458a_100000049016_100012276601 [1,1,0,0,0,0|1,0,0]=3 5143 B11R0.85 CC(=O)SCC(=O)NCC(C)C 11a_100000210953_100000049016 [1,1,0,0,0,0|2,0,0]=4 5144 B11R0.85 CC(=O)SCC(=O)NCC(C)C 1626a_100000210953_100000049016 [1,1,0,0,0,0|2,0,0]=4 5145 B11R0.85 CC(=O)SCC(=O)NCC(C)C 240690a_100000210953_100000049016 [1,1,0,0,0,0|2,0,0]=4 5146 B11R0.85 CC(=O)SCC(=O)NCC(C)O 11a_100000210904_100000049016 [1,1,0,0,0,0|2,0,0]=4 5147 B11R0.85 CC(=O)SCC(=O)NCC(C)O 240690a_100000210904_100000049016 [1,1,0,0,0,0|2,0,0]=4 5148 B11R0.85 CC(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000210312 [1,1,0,0,0,0|1,0,0]=3 5149 B11R0.85 CC(C)CCC(=O)CCC(C)C 1458a_100000181311_100000210312 [1,1,0,0,0,0|1,0,1]=4 5150 B11R0.85 CC(C)CCC(=O)CCC(C)O 1458a_100000181311_100012276601 [1,1,0,0,0,0|0,0,2]=4 5151 B11R0.85 CC(C)CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210312 [1,1,0,0,0,0|2,0,0]=4 5152 B11R0.85 CC(C)CCC(=O)CC[S+](C)C 1458a_100009452791_100000210312 [1,1,0,0,0,0|2,0,0]=4 5153 B11R0.85 CC(C)CCC(=O)CNC(=O)N 1458a_100000184981_100000210312 [1,1,0,0,0,0|2,0,0]=4 5154 B11R0.85 CC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000181311 [1,1,0,0,0,0|2,0,0]=4 5155 B11R0.85 CC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000181311 [1,1,0,0,0,0|2,0,0]=4 5156 B11R0.85 CC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000181311 [1,1,0,0,0,0|2,0,0]=4 5157 B11R0.85 CC(C)CCC(=O)NCC(=O)[13CH3] 1458a_100000205584_200025704644 [1,1,0,0,0,0|1,0,0]=3 5158 B11R0.85 CC(C)CNC(=O)CCC(=O)N 240690a_100000210953_100011215257 [1,1,0,0,0,0|2,0,0]=4 5159 B11R0.85 CC(C)CNC(=O)CCC(=O)N 527a_100000210953_100011215257 [1,1,0,0,0,0|2,0,0]=4 5160 B11R0.85 CC(O)CCC(=O)CCC(=O)N 1458a_100011215257_100012276601 [1,1,0,0,0,0|1,0,0]=3 5161 B11R0.85 CC(O)CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100012276601 [1,1,0,0,0,0|2,0,0]=4 5162 B11R0.85 CC(O)CCC(=O)CC[S+](C)C 1458a_100009452791_100012276601 [1,1,0,0,0,0|2,0,0]=4 5163 B11R0.85 CC(O)CCC(=O)CNC(=O)N 1458a_100000184981_100012276601 [1,1,0,0,0,0|2,0,0]=4 5164 B11R0.85 CC(O)CNC(=O)CCC(=O)N 240690a_100000210904_100011215257 [1,1,0,0,0,0|2,0,0]=4 5165 B11R0.85 CC(O)CNC(=O)CCC(=O)N 527a_100000210904_100011215257 [1,1,0,0,0,0|2,0,0]=4 5166 B11R0.93 C=C(C)CCC(=O)CC(=O)CC 1458a_200000688413_100000747405 [1,1,0,0,0,0|1,0,1]=4 5167 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_100000708755_100000730704 [1,1,0,0,0,0|1,0,0]=3 5168 B11R0.93 C=C(C)CCC(=O)CC(C)CC 1458a_200000688413_100000748023 [1,1,0,0,0,0|1,0,0]=3 5169 B11R0.93 C=C(C)CCC(=O)CC(O)CC 1458a_100011667805_100000730704 [1,1,0,0,0,0|1,0,0]=3 5170 B11R0.93 C=C(C)CCC(=O)CC(O)CC 1458a_200000688413_100011218378 [1,1,0,0,0,0|1,0,0]=3 5171 B11R0.93 C=C(C)CCC(=O)CN(C)CC 1458a_100116209913_100000730704 [1,1,0,0,0,0|2,0,0]=4 5172 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CC 1458a_200000688413_100009816398 [1,1,0,0,0,0|1,0,0]=3 5173 B11R0.93 C=C(C)CCC(=O)C[C@@H](C)CO 1458a_200000688413_100000059175 [1,1,0,0,0,0|2,0,0]=4 5174 B11R0.93 C=C(C)CCC(=O)NC(C)CC 11a_100000209981_200000688413 [1,1,0,0,0,0|2,0,0]=4 5175 B11R0.93 C=C(C)CCC(=O)NC(C)CC 1626a_100000209981_200000688413 [1,1,0,0,0,0|2,0,0]=4 5176 B11R0.93 C=C(C)CCC(=O)NC(C)CC 240690a_100000209981_200000688413 [1,1,0,0,0,0|2,0,0]=4 5177 B11R0.93 C=C(C)CCC(=O)NC(C)CC 527a_100000209981_200000688413 [1,1,0,0,0,0|2,0,0]=4 5178 B11R0.93 C=C(C)CNC(=O)CC(C)CC 11a_100000765925_100000708755 [1,1,0,0,0,0|2,0,0]=4 5179 B11R0.93 C=C(C)CNC(=O)CC(C)CC 1626a_100000765925_100000708755 [1,1,0,0,0,0|2,0,0]=4 5180 B11R0.93 C=C(C)CNC(=O)CC(C)CC 240690a_100000765925_100000708755 [1,1,0,0,0,0|2,0,0]=4 5181 B11R0.93 C=C(C)CNC(=O)CC(C)CC 527a_100000765925_100000708755 [1,1,0,0,0,0|2,0,0]=4 5182 B11R0.93 C=C(C)CNC(=O)CC(O)CC 1626a_100000765925_100011667805 [1,1,0,0,0,0|2,0,0]=4 5183 B11R0.93 C=C(C)CNC(=O)CC(O)CC 240690a_100000765925_100011667805 [1,1,0,0,0,0|2,0,0]=4 5184 B11R0.93 CC(=O)NCC(=O)C[C@@H](C)CO 1458a_100000194580_100000059175 [1,1,0,0,0,0|2,0,0]=4 5185 B11R0.93 CC(=O)OCC(=O)C[C@@H](C)CO 1458a_100000183556_100000059175 [1,1,0,0,0,0|2,0,0]=4 5186 B11R0.93 CC(=O)SCC(=O)C[C@@H](C)CO 1458a_100000049016_100000059175 [1,1,0,0,0,0|2,0,0]=4 5187 B11R0.93 CCC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747405 [1,1,0,0,0,0|1,0,1]=4 5188 B11R0.93 CCC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747405 [1,1,0,0,0,0|1,0,1]=4 5189 B11R0.93 CCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747405 [1,1,0,0,0,0|1,0,1]=4 5190 B11R0.93 CCC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747405 [1,1,0,0,0,0|1,0,1]=4 5191 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100000708755_100000761012 [1,1,0,0,0,0|1,0,1]=4 5192 B11R0.93 CCC(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748023 [1,1,0,0,0,0|1,0,1]=4 5193 B11R0.93 CCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000748023 [1,1,0,0,0,0|1,0,0]=3 5194 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000181311_100000748023 [1,1,0,0,0,0|1,0,1]=4 5195 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000708755_100000210312 [1,1,0,0,0,0|1,0,1]=4 5196 B11R0.93 CCC(C)CC(=O)CCC(C)O 1458a_100000708755_100012276601 [1,1,0,0,0,0|0,0,2]=4 5197 B11R0.93 CCC(C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000748023 [1,1,0,0,0,0|2,0,0]=4 5198 B11R0.93 CCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748023 [1,1,0,0,0,0|2,0,0]=4 5199 B11R0.93 CCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748023 [1,1,0,0,0,0|1,0,0]=3 5200 B11R0.93 CCC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000748023 [1,1,0,0,0,0|2,0,0]=4 5201 B11R0.93 CCC(C)CC(=O)COC(=O)C 1458a_100000183556_100000748023 [1,1,0,0,0,0|1,0,0]=3 5202 B11R0.93 CCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748023 [1,1,0,0,0,0|1,0,0]=3 5203 B11R0.93 CCC(C)CC(=O)NCC(=O)N 11a_100000711301_100000708755 [1,1,0,0,0,0|2,0,0]=4 5204 B11R0.93 CCC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000708755 [1,1,0,0,0,0|2,0,0]=4 5205 B11R0.93 CCC(C)CC(=O)NCC(=O)N 527a_100000711301_100000708755 [1,1,0,0,0,0|2,0,0]=4 5206 B11R0.93 CCC(C)CC(=O)NNC(=O)C 22a_100000189765_100000708755 [1,1,0,0,0,0|2,0,0]=4 5207 B11R0.93 CCC(C)CN(C)CCC(=O)C 269982a_100000753921_100000053229 [1,1,0,0,0,0|2,0,0]=4 5208 B11R0.93 CCC(C)NC(=O)CCC(=O)N 240690a_100000209981_100011215257 [1,1,0,0,0,0|2,0,0]=4 5209 B11R0.93 CCC(C)NC(=O)CCC(=O)N 527a_100000209981_100011215257 [1,1,0,0,0,0|2,0,0]=4 5210 B11R0.93 CCC(C)NC(=O)CNC(=O)C 11a_100000209981_100000194580 [1,1,0,0,0,0|2,0,0]=4 5211 B11R0.93 CCC(C)NC(=O)CNC(=O)C 1626a_100000209981_100000194580 [1,1,0,0,0,0|2,0,0]=4 5212 B11R0.93 CCC(C)NC(=O)CNC(=O)C 240690a_100000209981_100000194580 [1,1,0,0,0,0|2,0,0]=4 5213 B11R0.93 CCC(C)NC(=O)CNC(=O)C 527a_100000209981_100000194580 [1,1,0,0,0,0|2,0,0]=4 5214 B11R0.93 CCC(C)NC(=O)COC(=O)C 1626a_100000209981_100000183556 [1,1,0,0,0,0|2,0,0]=4 5215 B11R0.93 CCC(C)NC(=O)COC(=O)C 240690a_100000209981_100000183556 [1,1,0,0,0,0|2,0,0]=4 5216 B11R0.93 CCC(C)NC(=O)COC(=O)C 527a_100000209981_100000183556 [1,1,0,0,0,0|2,0,0]=4 5217 B11R0.93 CCC(C)NC(=O)CSC(=O)C 11a_100000209981_100000049016 [1,1,0,0,0,0|2,0,0]=4 5218 B11R0.93 CCC(C)NC(=O)CSC(=O)C 1626a_100000209981_100000049016 [1,1,0,0,0,0|2,0,0]=4 5219 B11R0.93 CCC(C)NC(=O)CSC(=O)C 240690a_100000209981_100000049016 [1,1,0,0,0,0|2,0,0]=4 5220 B11R0.93 CCC(O)CC(=O)CC=C(C)C 1458a_100011220947_100011218378 [1,1,0,0,0,0|1,0,1]=4 5221 B11R0.93 CCC(O)CC(=O)CC=C(C)C 1458a_100011667805_100000761012 [1,1,0,0,0,0|1,0,1]=4 5222 B11R0.93 CCC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218378 [1,1,0,0,0,0|1,0,0]=3 5223 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100000181311_100011218378 [1,1,0,0,0,0|1,0,1]=4 5224 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100011667805_100000210312 [1,1,0,0,0,0|1,0,1]=4 5225 B11R0.93 CCC(O)CC(=O)CCC(C)O 1458a_100011667805_100012276601 [1,1,0,0,0,0|0,0,2]=4 5226 B11R0.93 CCC(O)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011218378 [1,1,0,0,0,0|2,0,0]=4 5227 B11R0.93 CCC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218378 [1,1,0,0,0,0|2,0,0]=4 5228 B11R0.93 CCC(O)CC(=O)CNC(=O)C 1458a_100000194580_100011218378 [1,1,0,0,0,0|1,0,0]=3 5229 B11R0.93 CCC(O)CC(=O)CNC(=O)N 1458a_100000184981_100011218378 [1,1,0,0,0,0|2,0,0]=4 5230 B11R0.93 CCC(O)CC(=O)COC(=O)C 1458a_100000183556_100011218378 [1,1,0,0,0,0|1,0,0]=3 5231 B11R0.93 CCC(O)CC(=O)CSC(=O)C 1458a_100000049016_100011218378 [1,1,0,0,0,0|1,0,0]=3 5232 B11R0.93 CCC(O)CC(=O)NCC(=O)N 240690a_100000711301_100011667805 [1,1,0,0,0,0|2,0,0]=4 5233 B11R0.93 CCC(O)CC(=O)NNC(=O)C 22a_100000189765_100011667805 [1,1,0,0,0,0|2,0,0]=4 5234 B11R0.93 CCN(C)CC(=O)COC(=O)C 269982a_100000225621_100000036994 [1,1,0,0,0,0|2,0,0]=4 5235 B11R0.93 CC[C@H](C)CC(=O)CC=C(C)C 1458a_100011220947_100009816398 [1,1,0,0,0,0|1,0,1]=4 5236 B11R0.93 CC[C@H](C)CC(=O)CCC(=O)N 1458a_100011215257_100009816398 [1,1,0,0,0,0|1,0,0]=3 5237 B11R0.93 CC[C@H](C)CC(=O)CCC(C)C 1458a_100000181311_100009816398 [1,1,0,0,0,0|1,0,1]=4 5238 B11R0.93 CC[C@H](C)CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100009816398 [1,1,0,0,0,0|2,0,0]=4 5239 B11R0.93 CC[C@H](C)CC(=O)CC[S+](C)C 1458a_100009452791_100009816398 [1,1,0,0,0,0|2,0,0]=4 5240 B11R0.93 CC[C@H](C)CC(=O)CNC(=O)C 1458a_100000194580_100009816398 [1,1,0,0,0,0|1,0,0]=3 5241 B11R0.93 CC[C@H](C)CC(=O)CNC(=O)N 1458a_100000184981_100009816398 [1,1,0,0,0,0|2,0,0]=4 5242 B11R0.93 CC[C@H](C)CC(=O)COC(=O)C 1458a_100000183556_100009816398 [1,1,0,0,0,0|1,0,0]=3 5243 B11R0.93 CC[C@H](C)CC(=O)CSC(=O)C 1458a_100000049016_100009816398 [1,1,0,0,0,0|1,0,0]=3 5244 B11R0.93 C[C@@H](CO)CC(=O)CCC(=O)N 1458a_100011215257_100000059175 [1,1,0,0,0,0|2,0,0]=4 5245 B11R0.163 C=C(C)C(=O)CC(=O)OCCC 1458a_100000185857_200011215008 [1,1,0,0,0,0|1,0,1]=4 5246 B11R0.163 CC(=O)N(C)CC(=O)CCCF 1458a_100000194957_100011934791 [1,1,0,0,0,0|2,0,0]=4 5247 B11R0.163 CC(=O)N(C)CC(=O)CCCO 1458a_100000194957_100011215043 [1,1,0,0,0,0|2,0,0]=4 5248 B11R0.163 CCCCC(=O)CC(=O)C(=O)C 1458a_100000210183_100011261029 [1,1,0,0,0,0|0,0,1]=3 5249 B11R0.163 CCCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210211 [1,1,0,0,0,0|2,0,0]=4 5250 B11R0.163 CCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210211 [1,1,0,0,0,0|1,0,0]=3 5251 B11R0.163 CCCCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210211 [1,1,0,0,0,0|2,0,0]=4 5252 B11R0.163 CCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210183 [1,1,0,0,0,0|2,0,0]=4 5253 B11R0.163 CCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210183 [1,1,0,0,0,0|2,0,0]=4 5254 B11R0.163 CCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210183 [1,1,0,0,0,0|2,0,0]=4 5255 B11R0.163 CCCNC(=O)CN(C)C(=O)C 11a_100000684209_100015343762 [1,1,0,0,0,0|2,0,0]=4 5256 B11R0.163 CCCNC(=O)CN(C)C(=O)C 11a_100020643023_100000194957 [1,1,0,0,0,0|2,0,0]=4 5257 B11R0.163 CCCNC(=O)CN(C)C(=O)C 1626a_100000684209_100015343762 [1,1,0,0,0,0|2,0,0]=4 5258 B11R0.163 CCCNC(=O)CN(C)C(=O)C 1626a_100020643023_100000194957 [1,1,0,0,0,0|2,0,0]=4 5259 B11R0.163 CCCNC(=O)CN(C)C(=O)C 240690a_100000684209_100015343762 [1,1,0,0,0,0|2,0,0]=4 5260 B11R0.163 CCCNC(=O)CN(C)C(=O)C 240690a_100020643023_100000194957 [1,1,0,0,0,0|2,0,0]=4 5261 B11R0.163 CCCNC(=O)CN(C)C(=O)C 527a_100000684209_100103153847 [1,1,0,0,0,0|2,0,0]=4 5262 B11R0.163 CCCNC(=O)CN(C)C(=O)C 527a_100020643023_100000194957 [1,1,0,0,0,0|2,0,0]=4 5263 B11R0.163 CCOCC(=O)CC(=O)C(=O)C 1458a_100000211967_100011261029 [1,1,0,0,0,0|1,0,1]=4 5264 B11R0.163 CCSCC(=O)CC(=O)C(=O)C 1458a_100000230394_100011261029 [1,1,0,0,0,0|1,0,1]=4 5265 B11R0.163 COCCC(=O)CC(=O)C(=O)C 1458a_100000749529_100011261029 [1,1,0,0,0,0|1,0,1]=4 5266 B11R0.163 COCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000233755 [1,1,0,0,0,0|2,0,0]=4 5267 B11R0.163 CSCCC(=O)CC(=O)C(=O)C 1458a_100000174002_100011261029 [1,1,0,0,0,0|1,0,1]=4 5268 B11R0.163 CSCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000751147 [1,1,0,0,0,0|2,0,0]=4 5269 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [1,1,0,0,0,0|1,0,1]=4 5270 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [1,1,0,0,0,0|1,0,1]=4 5271 B11R0.164 CCCCN(CC)CCC(=O)C 269982a_100000207695_100000053229 [1,1,0,0,0,0|2,0,0]=4 5272 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [1,1,0,0,0,0|1,0,1]=4 5273 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [1,1,0,0,0,0|1,0,1]=4 5274 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [1,1,0,0,0,0|1,0,1]=4 5275 B11R0.5 C=CCCC(=O)NC(C)CCC 11a_100000741246_100000749702 [1,1,0,0,0,0|1,0,1]=4 5276 B11R0.5 C=CCCC(=O)NC(C)CCC 1626a_100000741246_100000749702 [1,1,0,0,0,0|1,0,1]=4 5277 B11R0.5 C=CCCC(=O)NC(C)CCC 240690a_100000741246_100000749702 [1,1,0,0,0,0|1,0,1]=4 5278 B11R0.5 C=CCCC(=O)NC(C)CCC 527a_100000741246_100000749702 [1,1,0,0,0,0|1,0,1]=4 5279 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [1,1,0,0,0,0|1,0,1]=4 5280 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [1,1,0,0,0,0|1,0,1]=4 5281 B11R0.5 CC=CCC(=O)NC(C)CCC 11a_100000741246_100121576822 [1,1,0,0,0,0|1,0,1]=4 5282 B11R0.5 CC=CCC(=O)NC(C)CCC 1626a_100000741246_100121576822 [1,1,0,0,0,0|1,0,1]=4 5283 B11R0.5 CC=CCC(=O)NC(C)CCC 240690a_100000741246_100121576822 [1,1,0,0,0,0|1,0,1]=4 5284 B11R0.5 CC=CCC(=O)NC(C)CCC 527a_100000741246_100121576822 [1,1,0,0,0,0|1,0,1]=4 5285 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [1,1,0,0,0,0|2,0,0]=4 5286 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [1,1,0,0,0,0|2,0,0]=4 5287 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [1,1,0,0,0,0|2,0,0]=4 5288 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [1,1,0,0,0,0|2,0,0]=4 5289 B11R0.5 CCCC(C)NC(=O)CCOC 11a_100000741246_100000749529 [1,1,0,0,0,0|2,0,0]=4 5290 B11R0.5 CCCC(C)NC(=O)CCOC 1626a_100000741246_100000749529 [1,1,0,0,0,0|2,0,0]=4 5291 B11R0.5 CCCC(C)NC(=O)CCOC 240690a_100000741246_100000749529 [1,1,0,0,0,0|2,0,0]=4 5292 B11R0.5 CCCC(C)NC(=O)CCOC 527a_100000741246_100000749529 [1,1,0,0,0,0|2,0,0]=4 5293 B11R0.5 CCCC(C)NC(=O)CCSC 11a_100000741246_100000174002 [1,1,0,0,0,0|2,0,0]=4 5294 B11R0.5 CCCC(C)NC(=O)CCSC 1626a_100000741246_100000174002 [1,1,0,0,0,0|2,0,0]=4 5295 B11R0.5 CCCC(C)NC(=O)CCSC 240690a_100000741246_100000174002 [1,1,0,0,0,0|2,0,0]=4 5296 B11R0.5 CCCC(C)NC(=O)CCSC 527a_100000741246_100000174002 [1,1,0,0,0,0|2,0,0]=4 5297 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [1,1,0,0,0,0|1,0,1]=4 5298 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [1,1,0,0,0,0|1,0,1]=4 5299 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [1,1,0,0,0,0|1,0,1]=4 5300 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [1,1,0,0,0,0|1,0,1]=4 5301 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [1,1,0,0,0,0|1,0,1]=4 5302 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [1,1,0,0,0,0|1,0,1]=4 5303 B11R0.11 C/C=C/CC(=O)C(C)CCCC 1458a_100000725509_100102629194 [1,1,0,0,0,0|1,0,1]=4 5304 B11R0.11 C/C=C/CC(=O)C(O)CCCC 1458a_100000720857_100102629194 [1,1,0,0,0,0|1,0,1]=4 5305 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [1,1,0,0,0,0|1,0,1]=4 5306 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [1,1,0,0,0,0|1,0,1]=4 5307 B11R0.11 C=CCCC(=O)C(O)CCCC 1458a_100000720857_100000754431 [1,1,0,0,0,0|1,0,1]=4 5308 B11R0.11 C=CCCC(=O)N(C)CCCC 11a_100000207549_100000749702 [1,1,0,0,0,0|1,0,1]=4 5309 B11R0.11 C=CCCC(=O)N(C)CCCC 1626a_100000207549_100000749702 [1,1,0,0,0,0|1,0,1]=4 5310 B11R0.11 C=CCCC(=O)N(C)CCCC 240690a_100000207549_100000749702 [1,1,0,0,0,0|1,0,1]=4 5311 B11R0.11 C=CCCC(=O)N(C)CCCC 527a_100000207549_100000749702 [1,1,0,0,0,0|1,0,1]=4 5312 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100000725509_100000070051 [1,1,0,0,0,0|1,0,1]=4 5313 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100121576822_200011215066 [1,1,0,0,0,0|1,0,1]=4 5314 B11R0.11 CC=CCC(=O)C(O)CCCC 1458a_100000720857_100000070051 [1,1,0,0,0,0|1,0,1]=4 5315 B11R0.11 CC=CCC(=O)N(C)CCCC 11a_100000207549_100121576822 [1,1,0,0,0,0|1,0,1]=4 5316 B11R0.11 CC=CCC(=O)N(C)CCCC 1626a_100000207549_100121576822 [1,1,0,0,0,0|1,0,1]=4 5317 B11R0.11 CC=CCC(=O)N(C)CCCC 240690a_100000207549_100121576822 [1,1,0,0,0,0|1,0,1]=4 5318 B11R0.11 CC=CCC(=O)N(C)CCCC 527a_100000207549_100121576822 [1,1,0,0,0,0|1,0,1]=4 5319 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [1,1,0,0,0,0|1,0,1]=4 5320 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [1,1,0,0,0,0|1,0,1]=4 5321 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [1,1,0,0,0,0|1,0,1]=4 5322 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [1,1,0,0,0,0|1,0,1]=4 5323 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [1,1,0,0,0,0|1,0,1]=4 5324 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [1,1,0,0,0,0|1,0,1]=4 5325 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [1,1,0,0,0,0|1,0,1]=4 5326 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [1,1,0,0,0,0|2,0,0]=4 5327 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [1,1,0,0,0,0|2,0,0]=4 5328 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [1,1,0,0,0,0|2,0,0]=4 5329 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [1,1,0,0,0,0|2,0,0]=4 5330 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [1,1,0,0,0,0|2,0,0]=4 5331 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [1,1,0,0,0,0|2,0,0]=4 5332 B11R0.11 CCCCN(C)C(=O)CCOC 11a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 5333 B11R0.11 CCCCN(C)C(=O)CCOC 1626a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 5334 B11R0.11 CCCCN(C)C(=O)CCOC 240690a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 5335 B11R0.11 CCCCN(C)C(=O)CCOC 527a_100000207549_100000749529 [1,1,0,0,0,0|2,0,0]=4 5336 B11R0.11 CCCCN(C)C(=O)CCSC 11a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 5337 B11R0.11 CCCCN(C)C(=O)CCSC 1626a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 5338 B11R0.11 CCCCN(C)C(=O)CCSC 240690a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 5339 B11R0.11 CCCCN(C)C(=O)CCSC 527a_100000207549_100000174002 [1,1,0,0,0,0|2,0,0]=4 5340 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [1,1,0,0,0,0|0,0,2]=4 5341 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [1,1,0,0,0,0|0,0,2]=4 5342 B11R0.81 C/C=C/CC(=O)C=CCCCC 1458a_100016266645_100102629194 [1,1,0,0,0,0|1,0,1]=4 5343 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [1,1,0,0,0,0|1,0,1]=4 5344 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [1,1,0,0,0,0|1,0,1]=4 5345 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [1,1,0,0,0,0|0,0,1]=3 5346 B11R0.81 C/C=C/CC(=O)COCCOC 1458a_100000211095_100102629194 [1,1,0,0,0,0|1,0,1]=4 5347 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [1,1,0,0,0,0|0,1,1]=4 5348 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [1,1,0,0,0,0|1,0,1]=4 5349 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|1,0,1]=4 5350 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|1,0,1]=4 5351 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [1,1,0,0,0,0|1,0,1]=4 5352 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [1,1,0,0,0,0|1,0,1]=4 5353 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [1,1,0,0,0,0|1,0,1]=4 5354 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [1,1,0,0,0,0|1,0,1]=4 5355 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [1,1,0,0,0,0|1,0,1]=4 5356 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [1,1,0,0,0,0|1,0,1]=4 5357 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [1,1,0,0,0,0|0,0,1]=3 5358 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [1,1,0,0,0,0|0,0,1]=3 5359 B11R0.81 C=CCCC(=O)COCCOC 1458a_100000211095_100000754431 [1,1,0,0,0,0|1,0,1]=4 5360 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [1,1,0,0,0,0|0,1,1]=4 5361 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [1,1,0,0,0,0|1,0,1]=4 5362 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [1,1,0,0,0,0|1,0,1]=4 5363 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [1,1,0,0,0,0|1,0,1]=4 5364 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [1,1,0,0,0,0|1,0,1]=4 5365 B11R0.81 C=CCCC(=O)NCCCCO 240690a_100000750430_100000749702 [1,1,0,0,0,0|1,0,1]=4 5366 B11R0.81 C=CCCC(=O)NCCCCO 527a_100000750430_100000749702 [1,1,0,0,0,0|1,0,1]=4 5367 B11R0.81 C=CCCC(=O)NCCCOC 1626a_100150723488_100000749702 [1,1,0,0,0,0|1,0,1]=4 5368 B11R0.81 C=CCCC(=O)NCCCOC 240690a_100150723488_100000749702 [1,1,0,0,0,0|1,0,1]=4 5369 B11R0.81 C=CCCC(=O)NCCCOC 527a_100150723488_100000749702 [1,1,0,0,0,0|1,0,1]=4 5370 B11R0.81 C=CCCC(=O)NCCCSC 11a_100000749238_100000749702 [1,1,0,0,0,0|1,0,1]=4 5371 B11R0.81 C=CCCC(=O)NCCCSC 1626a_100000749238_100000749702 [1,1,0,0,0,0|1,0,1]=4 5372 B11R0.81 C=CCCC(=O)NCCCSC 240690a_100000749238_100000749702 [1,1,0,0,0,0|1,0,1]=4 5373 B11R0.81 C=CCCC(=O)NCCCSC 527a_100000749238_100000749702 [1,1,0,0,0,0|1,0,1]=4 5374 B11R0.81 C=CCCC(=O)NCCOCC 11a_100011200944_100000749702 [1,1,0,0,0,0|1,0,1]=4 5375 B11R0.81 C=CCCC(=O)NCCOCC 1626a_102516460346_100000749702 [1,1,0,0,0,0|1,0,1]=4 5376 B11R0.81 C=CCCC(=O)NCCOCC 240690a_100011200944_100000749702 [1,1,0,0,0,0|1,0,1]=4 5377 B11R0.81 C=CCCC(=O)NCCOCC 527a_100011200944_100000749702 [1,1,0,0,0,0|1,0,1]=4 5378 B11R0.81 C=CCCC(=O)NCCSCC 11a_100000106463_100000749702 [1,1,0,0,0,0|1,0,1]=4 5379 B11R0.81 C=CCCC(=O)NCCSCC 1626a_100000106463_100000749702 [1,1,0,0,0,0|1,0,1]=4 5380 B11R0.81 C=CCCC(=O)NCCSCC 240690a_100000106463_100000749702 [1,1,0,0,0,0|1,0,1]=4 5381 B11R0.81 C=CCCC(=O)NCCSCC 527a_100000106463_100000749702 [1,1,0,0,0,0|1,0,1]=4 5382 B11R0.81 C=CCCC(=O)NNCCCC 22a_100025702795_100000749702 [1,1,0,0,0,0|1,0,1]=4 5383 B11R0.81 C=CCNC(=O)COCCCC 1626a_100020586998_100000757543 [1,1,0,0,0,0|1,0,1]=4 5384 B11R0.81 C=CCNC(=O)COCCCC 240690a_100020586998_100000757543 [1,1,0,0,0,0|1,0,1]=4 5385 B11R0.81 C=CCNC(=O)COCCCC 527a_100020586998_100000757543 [1,1,0,0,0,0|1,0,1]=4 5386 B11R0.81 C=CCNC(=O)COCCCC 7a_100000210227_100000183597 [1,1,0,0,0,0|1,0,1]=4 5387 B11R0.81 C=CCOC(=O)COCCCC 34a_100000210227_100000033060 [1,1,0,0,0,0|1,0,1]=4 5388 B11R0.81 C=CCOC(=O)COCCCC 7a_100000210227_100000033060 [1,1,0,0,0,0|1,0,1]=4 5389 B11R0.81 CC#CCC(=O)COCCCC 1458a_100000757543_100000748600 [1,1,0,0,0,0|0,0,2]=4 5390 B11R0.81 CC=CCC(=O)C=CCCCC 1458a_100016266645_100000070051 [1,1,0,0,0,0|1,0,1]=4 5391 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [1,1,0,0,0,0|1,0,1]=4 5392 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [1,1,0,0,0,0|1,0,1]=4 5393 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [1,1,0,0,0,0|1,0,1]=4 5394 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [1,1,0,0,0,0|1,0,1]=4 5395 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [1,1,0,0,0,0|1,0,1]=4 5396 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [1,1,0,0,0,0|1,0,1]=4 5397 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [1,1,0,0,0,0|1,0,1]=4 5398 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [1,1,0,0,0,0|1,0,1]=4 5399 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [1,1,0,0,0,0|0,0,1]=3 5400 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [1,1,0,0,0,0|0,0,1]=3 5401 B11R0.81 CC=CCC(=O)COCCOC 1458a_100000211095_100000070051 [1,1,0,0,0,0|1,0,1]=4 5402 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [1,1,0,0,0,0|0,1,1]=4 5403 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [1,1,0,0,0,0|1,0,1]=4 5404 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [1,1,0,0,0,0|1,0,1]=4 5405 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [1,1,0,0,0,0|1,0,1]=4 5406 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [1,1,0,0,0,0|1,0,1]=4 5407 B11R0.81 CC=CCC(=O)NCCCCO 240690a_100000750430_100121576822 [1,1,0,0,0,0|1,0,1]=4 5408 B11R0.81 CC=CCC(=O)NCCCCO 527a_100000750430_100121576822 [1,1,0,0,0,0|1,0,1]=4 5409 B11R0.81 CC=CCC(=O)NCCCOC 1626a_100150723488_100121576822 [1,1,0,0,0,0|1,0,1]=4 5410 B11R0.81 CC=CCC(=O)NCCCOC 240690a_100150723488_100121576822 [1,1,0,0,0,0|1,0,1]=4 5411 B11R0.81 CC=CCC(=O)NCCCOC 527a_100150723488_100121576822 [1,1,0,0,0,0|1,0,1]=4 5412 B11R0.81 CC=CCC(=O)NCCCSC 11a_100000749238_100121576822 [1,1,0,0,0,0|1,0,1]=4 5413 B11R0.81 CC=CCC(=O)NCCCSC 1626a_100000749238_100121576822 [1,1,0,0,0,0|1,0,1]=4 5414 B11R0.81 CC=CCC(=O)NCCCSC 240690a_100000749238_100121576822 [1,1,0,0,0,0|1,0,1]=4 5415 B11R0.81 CC=CCC(=O)NCCCSC 527a_100000749238_100121576822 [1,1,0,0,0,0|1,0,1]=4 5416 B11R0.81 CC=CCC(=O)NCCOCC 11a_100011200944_100121576822 [1,1,0,0,0,0|1,0,1]=4 5417 B11R0.81 CC=CCC(=O)NCCOCC 1626a_102516460346_100121576822 [1,1,0,0,0,0|1,0,1]=4 5418 B11R0.81 CC=CCC(=O)NCCOCC 240690a_100011200944_100121576822 [1,1,0,0,0,0|1,0,1]=4 5419 B11R0.81 CC=CCC(=O)NCCOCC 527a_100011200944_100121576822 [1,1,0,0,0,0|1,0,1]=4 5420 B11R0.81 CC=CCC(=O)NCCSCC 11a_100000106463_100121576822 [1,1,0,0,0,0|1,0,1]=4 5421 B11R0.81 CC=CCC(=O)NCCSCC 1626a_100000106463_100121576822 [1,1,0,0,0,0|1,0,1]=4 5422 B11R0.81 CC=CCC(=O)NCCSCC 240690a_100000106463_100121576822 [1,1,0,0,0,0|1,0,1]=4 5423 B11R0.81 CC=CCC(=O)NCCSCC 527a_100000106463_100121576822 [1,1,0,0,0,0|1,0,1]=4 5424 B11R0.81 CC=CCC(=O)NNCCCC 22a_100025702795_100121576822 [1,1,0,0,0,0|1,0,1]=4 5425 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [1,1,0,0,0,0|1,0,1]=4 5426 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,1,0,0,0,0|1,0,1]=4 5427 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,1,0,0,0,0|1,0,1]=4 5428 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [1,1,0,0,0,0|1,0,1]=4 5429 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [1,1,0,0,0,0|1,0,1]=4 5430 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [1,1,0,0,0,0|1,0,1]=4 5431 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [1,1,0,0,0,0|1,0,1]=4 5432 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [1,1,0,0,0,0|1,0,1]=4 5433 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [1,1,0,0,0,0|1,0,1]=4 5434 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [1,1,0,0,0,0|1,0,1]=4 5435 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [1,1,0,0,0,0|1,0,1]=4 5436 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [1,1,0,0,0,0|1,0,1]=4 5437 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [1,1,0,0,0,0|1,0,1]=4 5438 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [1,1,0,0,0,0|1,0,1]=4 5439 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [1,1,0,0,0,0|1,0,1]=4 5440 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [1,1,0,0,0,0|1,0,1]=4 5441 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [1,1,0,0,0,0|1,0,1]=4 5442 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [1,1,0,0,0,0|1,0,1]=4 5443 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [1,1,0,0,0,0|1,0,1]=4 5444 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [1,1,0,0,0,0|1,0,1]=4 5445 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [1,1,0,0,0,0|1,0,1]=4 5446 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [1,1,0,0,0,0|1,0,1]=4 5447 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [1,1,0,0,0,0|1,0,1]=4 5448 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [1,1,0,0,0,0|1,0,1]=4 5449 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [1,1,0,0,0,0|1,0,1]=4 5450 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [1,1,0,0,0,0|2,0,0]=4 5451 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [1,1,0,0,0,0|2,0,0]=4 5452 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,1,0,0,0,0|1,0,1]=4 5453 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,1,0,0,0,0|1,0,1]=4 5454 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|2,0,0]=4 5455 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|2,0,0]=4 5456 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [1,1,0,0,0,0|2,0,0]=4 5457 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [1,1,0,0,0,0|2,0,0]=4 5458 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 5459 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 5460 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 5461 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [1,1,0,0,0,0|1,0,1]=4 5462 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 5463 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 5464 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 5465 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 5466 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 5467 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 5468 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 5469 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 5470 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [1,1,0,0,0,0|1,0,1]=4 5471 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [1,1,0,0,0,0|2,0,0]=4 5472 B11R0.81 CCCCNNC(=O)CCSC 22a_100025702795_100000174002 [1,1,0,0,0,0|2,0,0]=4 5473 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [1,1,0,0,0,0|1,0,1]=4 5474 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [1,1,0,0,0,0|1,0,1]=4 5475 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [1,1,0,0,0,0|0,0,1]=3 5476 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [1,1,0,0,0,0|0,0,1]=3 5477 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [1,1,0,0,0,0|1,0,1]=4 5478 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [1,1,0,0,0,0|0,0,2]=4 5479 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [1,1,0,0,0,0|1,0,0]=3 5480 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [1,1,0,0,0,0|1,0,0]=3 5481 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [1,1,0,0,0,0|1,0,0]=3 5482 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [1,1,0,0,0,0|1,0,0]=3 5483 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [1,1,0,0,0,0|1,0,1]=4 5484 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [1,1,0,0,0,0|1,0,1]=4 5485 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [1,1,0,0,0,0|1,0,1]=4 5486 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [1,1,0,0,0,0|1,0,1]=4 5487 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [1,1,0,0,0,0|1,0,1]=4 5488 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [1,1,0,0,0,0|1,0,1]=4 5489 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [1,1,0,0,0,0|1,0,1]=4 5490 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [1,1,0,0,0,0|1,0,1]=4 5491 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [1,1,0,0,0,0|1,0,1]=4 5492 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [1,1,0,0,0,0|1,0,1]=4 5493 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [1,1,0,0,0,0|0,1,1]=4 5494 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [1,1,0,0,0,0|1,1,0]=4 5495 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [1,1,0,0,0,0|1,1,0]=4 5496 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [1,1,0,0,0,0|1,0,1]=4 5497 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [1,1,0,0,0,0|2,0,0]=4 5498 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [1,1,0,0,0,0|2,0,0]=4 5499 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [1,1,0,0,0,0|1,0,1]=4 5500 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [1,1,0,0,0,0|1,0,1]=4 5501 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [1,1,0,0,0,0|2,0,0]=4 5502 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [1,1,0,0,0,0|2,0,0]=4 5503 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [1,1,0,0,0,0|2,0,0]=4 5504 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [1,1,0,0,0,0|2,0,0]=4 5505 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [1,1,0,0,0,0|2,0,0]=4 5506 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [1,1,0,0,0,0|2,0,0]=4 5507 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [1,1,0,0,0,0|2,0,0]=4 5508 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [1,1,0,0,0,0|2,0,0]=4 5509 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [1,1,0,0,0,0|2,0,0]=4 5510 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [1,1,0,0,0,0|2,0,0]=4 5511 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [1,1,0,0,0,0|1,0,1]=4 5512 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [1,1,0,0,0,0|1,0,1]=4 5513 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [1,1,0,0,0,0|1,0,1]=4 5514 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [1,1,0,0,0,0|2,0,0]=4 5515 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [1,1,0,0,0,0|2,0,0]=4 5516 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [1,1,0,0,0,0|2,0,0]=4 5517 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [1,1,0,0,0,0|2,0,0]=4 5518 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [1,1,0,0,0,0|2,0,0]=4 5519 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [1,1,0,0,0,0|2,0,0]=4 5520 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [1,1,0,0,0,0|2,0,0]=4 5521 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [1,1,0,0,0,0|2,0,0]=4 5522 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [1,1,0,0,0,0|2,0,0]=4 5523 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [1,1,0,0,0,0|2,0,0]=4 5524 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [1,1,0,0,0,0|2,0,0]=4 5525 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [1,1,0,0,0,0|2,0,0]=4 5526 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [1,1,0,0,0,0|2,0,0]=4 5527 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [1,1,0,0,0,0|2,0,0]=4 5528 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [1,1,0,0,0,0|2,0,0]=4 5529 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [1,1,0,0,0,0|2,0,0]=4 5530 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [1,1,0,0,0,0|2,0,0]=4 5531 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [1,1,0,0,0,0|2,0,0]=4 5532 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [1,1,0,0,0,0|2,0,0]=4 5533 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [1,1,0,0,0,0|2,0,0]=4 5534 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [1,1,0,0,0,0|2,0,0]=4 5535 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [1,1,0,0,0,0|2,0,0]=4 5536 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [1,1,0,0,0,0|2,0,0]=4 5537 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [1,1,0,0,0,0|2,0,0]=4 5538 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [1,1,0,0,0,0|2,0,0]=4 5539 B11R0.81 COCCOCC(=O)CCOC 1458a_100000211095_100000233755 [1,1,0,0,0,0|2,0,0]=4 5540 B11R0.81 COCCOCC(=O)CCSC 1458a_100000211095_100000751147 [1,1,0,0,0,0|2,0,0]=4 5541 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [1,1,0,0,0,0|2,0,0]=4 5542 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [1,1,0,0,0,0|2,0,0]=4 5543 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [1,1,0,0,0,0|2,0,0]=4 5544 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [1,1,0,0,0,0|2,0,0]=4 5545 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [1,1,0,0,0,0|2,0,0]=4 5546 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [1,1,0,0,0,0|2,0,0]=4 5547 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [1,1,0,0,0,0|2,0,0]=4 5548 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [1,1,0,0,0,0|2,0,0]=4 5549 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [1,1,0,0,0,0|2,0,0]=4 5550 B11R0.140 C#CCNCC(=O)OCCCC 34a_100000212058_100000211628 [1,1,0,0,0,0|0,0,2]=4 5551 B11R0.140 C#CCOCC(=O)OCCCC 34a_100000210247_100000211628 [1,1,0,0,0,0|0,0,2]=4 5552 B11R0.140 C#CCSCC(=O)OCCCC 62a_100000038162_100000211628 [1,1,0,0,0,0|0,0,2]=4 5553 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,1,0,0,0,0|1,0,1]=4 5554 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,1,0,0,0,0|1,0,1]=4 5555 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [1,1,0,0,0,0|1,0,1]=4 5556 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [1,1,0,0,0,0|1,0,1]=4 5557 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [1,1,0,0,0,0|1,0,1]=4 5558 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [1,1,0,0,0,0|1,0,1]=4 5559 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [1,1,0,0,0,0|1,0,1]=4 5560 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [1,1,0,0,0,0|1,0,1]=4 5561 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [1,1,0,0,0,0|1,0,1]=4 5562 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [1,1,0,0,0,0|1,0,1]=4 5563 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100000102301_100015191253 [1,1,0,0,0,0|1,0,1]=4 5564 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100015191253_100000102301 [1,1,0,0,0,0|1,0,1]=4 5565 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100000102301_100015191253 [1,1,0,0,0,0|1,0,1]=4 5566 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100015191253_100000102301 [1,1,0,0,0,0|1,0,1]=4 5567 B11R0.140 C=CCCNC(=O)NCCCC 512a_100000102301_100015191253 [1,1,0,0,0,0|1,0,1]=4 5568 B11R0.140 C=CCCNC(=O)NCCCC 512a_100015191253_100000102301 [1,1,0,0,0,0|1,0,1]=4 5569 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [1,1,0,0,0,0|1,0,1]=4 5570 B11R0.140 C=CCNCC(=O)NCCCC 2230a_100020586998_100000182744 [1,1,0,0,0,0|1,0,1]=4 5571 B11R0.140 C=CCNCC(=O)OCCCC 2230a_100020586998_100000211628 [1,1,0,0,0,0|0,0,1]=3 5572 B11R0.140 C=CCNCC(=O)OCCOC 2230a_100020586998_200000040189 [1,1,0,0,0,0|1,0,1]=4 5573 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [1,1,0,0,0,0|1,0,1]=4 5574 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [1,1,0,0,0,0|1,0,1]=4 5575 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [1,1,0,0,0,0|0,0,1]=3 5576 B11R0.140 C=CCOCC(=O)OCCOC 34a_200000210373_200000040189 [1,1,0,0,0,0|1,0,1]=4 5577 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [1,1,0,0,0,0|1,0,1]=4 5578 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [1,1,0,0,0,0|1,0,1]=4 5579 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [1,1,0,0,0,0|1,0,1]=4 5580 B11R0.140 C=CCSCC(=O)NCCCC 11a_100000102301_100000230395 [1,1,0,0,0,0|1,0,1]=4 5581 B11R0.140 C=CCSCC(=O)NCCCC 1626a_100000102301_100000230395 [1,1,0,0,0,0|1,0,1]=4 5582 B11R0.140 C=CCSCC(=O)NCCCC 240690a_100000102301_100000230395 [1,1,0,0,0,0|1,0,1]=4 5583 B11R0.140 C=CCSCC(=O)NCCCC 527a_100000102301_100000230395 [1,1,0,0,0,0|1,0,1]=4 5584 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000182744_100000210623 [1,1,0,0,0,0|1,0,1]=4 5585 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000210623_100000182744 [1,1,0,0,0,0|1,0,1]=4 5586 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000210623_100000211628 [1,1,0,0,0,0|0,0,1]=3 5587 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000211628_100000210623 [1,1,0,0,0,0|0,0,1]=3 5588 B11R0.140 C=CCSCC(=O)OCCOC 62a_100000210623_200000040189 [1,1,0,0,0,0|1,0,1]=4 5589 B11R0.140 C=CCSCC(=O)OCCOC 62a_200000040189_100000210623 [1,1,0,0,0,0|1,0,1]=4 5590 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [1,1,0,0,0,0|1,0,1]=4 5591 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [1,1,0,0,0,0|1,0,1]=4 5592 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [1,1,0,0,0,0|1,0,1]=4 5593 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [1,1,0,0,0,0|1,0,1]=4 5594 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [1,1,0,0,0,0|1,0,1]=4 5595 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [1,1,0,0,0,0|1,0,1]=4 5596 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [1,1,0,0,0,0|1,0,1]=4 5597 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [1,1,0,0,0,0|1,0,1]=4 5598 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [1,1,0,0,0,0|1,0,1]=4 5599 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,1,0,0,0,0|1,0,1]=4 5600 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,1,0,0,0,0|1,0,1]=4 5601 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [1,1,0,0,0,0|1,0,1]=4 5602 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [1,1,0,0,0,0|1,0,1]=4 5603 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [1,1,0,0,0,0|1,0,1]=4 5604 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,1,0,0,0,0|1,0,1]=4 5605 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,1,0,0,0,0|1,0,1]=4 5606 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [1,1,0,0,0,0|1,0,1]=4 5607 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [1,1,0,0,0,0|1,0,1]=4 5608 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [1,1,0,0,0,0|1,0,1]=4 5609 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [1,1,0,0,0,0|1,0,1]=4 5610 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [1,1,0,0,0,0|1,0,0]=3 5611 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [1,1,0,0,0,0|1,0,0]=3 5612 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [1,1,0,0,0,0|1,0,1]=4 5613 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [1,1,0,0,0,0|1,0,1]=4 5614 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [1,1,0,0,0,0|1,0,1]=4 5615 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [1,1,0,0,0,0|2,0,0]=4 5616 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [1,1,0,0,0,0|2,0,0]=4 5617 B11R0.140 CCCCCC(=O)CSCSC 62a_100011218213_200012276598 [1,1,0,0,0,0|2,0,0]=4 5618 B11R0.140 CCCCCC(=O)CSCSC 62a_200012276598_100011218213 [1,1,0,0,0,0|2,0,0]=4 5619 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [1,1,0,0,0,0|1,0,1]=4 5620 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [1,1,0,0,0,0|1,0,1]=4 5621 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [1,1,0,0,0,0|1,0,1]=4 5622 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [1,1,0,0,0,0|1,0,1]=4 5623 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [1,1,0,0,0,0|2,0,0]=4 5624 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [1,1,0,0,0,0|2,0,0]=4 5625 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [1,1,0,0,0,0|2,0,0]=4 5626 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [1,1,0,0,0,0|2,0,0]=4 5627 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [1,1,0,0,0,0|2,0,0]=4 5628 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [1,1,0,0,0,0|2,0,0]=4 5629 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [1,1,0,0,0,0|2,0,0]=4 5630 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [1,1,0,0,0,0|1,0,1]=4 5631 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [1,1,0,0,0,0|1,0,1]=4 5632 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [1,1,0,0,0,0|1,0,1]=4 5633 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [1,1,0,0,0,0|1,0,1]=4 5634 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [1,1,0,0,0,0|1,0,1]=4 5635 B11R0.140 CCCCNC(=O)CCCSC 11a_100000102301_100000173376 [1,1,0,0,0,0|1,0,1]=4 5636 B11R0.140 CCCCNC(=O)CCCSC 1626a_100000102301_100000173376 [1,1,0,0,0,0|1,0,1]=4 5637 B11R0.140 CCCCNC(=O)CCCSC 240690a_100000102301_100000173376 [1,1,0,0,0,0|1,0,1]=4 5638 B11R0.140 CCCCNC(=O)CCCSC 527a_100000102301_100000173376 [1,1,0,0,0,0|1,0,1]=4 5639 B11R0.140 CCCCNC(=O)CCOCC 11a_100000102301_100000749530 [1,1,0,0,0,0|1,0,1]=4 5640 B11R0.140 CCCCNC(=O)CCOCC 1626a_100000102301_100000749530 [1,1,0,0,0,0|1,0,1]=4 5641 B11R0.140 CCCCNC(=O)CCOCC 240690a_100000102301_100000749530 [1,1,0,0,0,0|1,0,1]=4 5642 B11R0.140 CCCCNC(=O)CCOCC 527a_100000102301_100000749530 [1,1,0,0,0,0|1,0,1]=4 5643 B11R0.140 CCCCNC(=O)CCSCC 11a_100000102301_100000230768 [1,1,0,0,0,0|1,0,1]=4 5644 B11R0.140 CCCCNC(=O)CCSCC 1626a_100000102301_100000230768 [1,1,0,0,0,0|1,0,1]=4 5645 B11R0.140 CCCCNC(=O)CCSCC 240690a_100000102301_100000230768 [1,1,0,0,0,0|1,0,1]=4 5646 B11R0.140 CCCCNC(=O)CCSCC 527a_100000102301_100000230768 [1,1,0,0,0,0|1,0,1]=4 5647 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [1,1,0,0,0,0|1,0,1]=4 5648 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [1,1,0,0,0,0|1,0,1]=4 5649 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [1,1,0,0,0,0|1,0,1]=4 5650 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [1,1,0,0,0,0|1,0,1]=4 5651 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [1,1,0,0,0,0|1,0,1]=4 5652 B11R0.140 CCCCNC(=O)CSCC=O 62a_100000182744_200015260668 [1,1,0,0,0,0|1,0,0]=3 5653 B11R0.140 CCCCNC(=O)CSCC=O 62a_200015260668_100000182744 [1,1,0,0,0,0|1,0,0]=3 5654 B11R0.140 CCCCNC(=O)CSCCC 11a_100000102301_100000217233 [1,1,0,0,0,0|1,0,1]=4 5655 B11R0.140 CCCCNC(=O)CSCCC 1626a_100000102301_100000217233 [1,1,0,0,0,0|1,0,1]=4 5656 B11R0.140 CCCCNC(=O)CSCCC 240690a_100000102301_100000217233 [1,1,0,0,0,0|1,0,1]=4 5657 B11R0.140 CCCCNC(=O)CSCCC 527a_100000102301_100000217233 [1,1,0,0,0,0|1,0,1]=4 5658 B11R0.140 CCCCNC(=O)CSCCC 62a_100000182744_100000210303 [1,1,0,0,0,0|1,0,1]=4 5659 B11R0.140 CCCCNC(=O)CSCCC 62a_100000210303_100000182744 [1,1,0,0,0,0|1,0,1]=4 5660 B11R0.140 CCCCNC(=O)CSCOC 62a_100000182744_100000766300 [1,1,0,0,0,0|2,0,0]=4 5661 B11R0.140 CCCCNC(=O)CSCOC 62a_100000766300_100000182744 [1,1,0,0,0,0|2,0,0]=4 5662 B11R0.140 CCCCNC(=O)CSCSC 62a_100000182744_100011218213 [1,1,0,0,0,0|2,0,0]=4 5663 B11R0.140 CCCCNC(=O)CSCSC 62a_100011218213_100000182744 [1,1,0,0,0,0|2,0,0]=4 5664 B11R0.140 CCCCNC(=O)NCCCC 2708a_100000102301_100000102301 [1,1,0,0,0,0|1,0,1]=4 5665 B11R0.140 CCCCNC(=O)NCCCC 273464a_100000102301_100000102301 [1,1,0,0,0,0|1,0,1]=4 5666 B11R0.140 CCCCNC(=O)NCCCC 512a_100000102301_100000102301 [1,1,0,0,0,0|1,0,1]=4 5667 B11R0.140 CCCCNC(=O)NCCOC 2708a_100000102301_100000209980 [1,1,0,0,0,0|2,0,0]=4 5668 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000102301_100000209980 [1,1,0,0,0,0|2,0,0]=4 5669 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000209980_100000102301 [1,1,0,0,0,0|2,0,0]=4 5670 B11R0.140 CCCCNC(=O)NCCSC 2708a_100000102301_100020590264 [1,1,0,0,0,0|2,0,0]=4 5671 B11R0.140 CCCCNC(=O)NCCSC 2708a_100020590264_100000102301 [1,1,0,0,0,0|2,0,0]=4 5672 B11R0.140 CCCCNC(=O)NCCSC 273464a_100000102301_100020590264 [1,1,0,0,0,0|2,0,0]=4 5673 B11R0.140 CCCCNC(=O)NCCSC 273464a_100020590264_100000102301 [1,1,0,0,0,0|2,0,0]=4 5674 B11R0.140 CCCCNC(=O)NCCSC 512a_100000102301_100020590264 [1,1,0,0,0,0|2,0,0]=4 5675 B11R0.140 CCCCNC(=O)NCCSC 512a_100020590264_100000102301 [1,1,0,0,0,0|2,0,0]=4 5676 B11R0.140 CCCCOC(=O)CNCCF 34a_100000724931_100000211628 [1,1,0,0,0,0|1,0,1]=4 5677 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [1,1,0,0,0,0|0,0,2]=4 5678 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [1,1,0,0,0,0|0,0,2]=4 5679 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [1,1,0,0,0,0|1,0,1]=4 5680 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [1,1,0,0,0,0|0,0,1]=3 5681 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [1,1,0,0,0,0|1,0,1]=4 5682 B11R0.140 CCCCOC(=O)CSCC#N 62a_100000211628_100011215382 [1,1,0,0,0,0|1,0,1]=4 5683 B11R0.140 CCCCOC(=O)CSCC#N 62a_100011215382_100000211628 [1,1,0,0,0,0|1,0,1]=4 5684 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [1,1,0,0,0,0|0,0,0]=2 5685 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [1,1,0,0,0,0|0,0,0]=2 5686 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [1,1,0,0,0,0|0,0,1]=3 5687 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [1,1,0,0,0,0|0,0,1]=3 5688 B11R0.140 CCCCOC(=O)CSCCF 62a_100000211628_100011217306 [1,1,0,0,0,0|1,0,1]=4 5689 B11R0.140 CCCCOC(=O)CSCCF 62a_100011217306_100000211628 [1,1,0,0,0,0|1,0,1]=4 5690 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [1,1,0,0,0,0|0,0,2]=4 5691 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [1,1,0,0,0,0|0,0,2]=4 5692 B11R0.140 CCCCOC(=O)CSCOC 62a_100000211628_100000766300 [1,1,0,0,0,0|1,0,0]=3 5693 B11R0.140 CCCCOC(=O)CSCOC 62a_100000766300_100000211628 [1,1,0,0,0,0|1,0,0]=3 5694 B11R0.140 CCCCOC(=O)CSCSC 62a_100000211628_100011218213 [1,1,0,0,0,0|1,0,0]=3 5695 B11R0.140 CCCCOC(=O)CSCSC 62a_100011218213_100000211628 [1,1,0,0,0,0|1,0,0]=3 5696 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [1,1,0,0,0,0|1,0,1]=4 5697 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [1,1,0,0,0,0|1,0,1]=4 5698 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [1,1,0,0,0,0|1,0,1]=4 5699 B11R0.140 COCCNC(=O)CNCC=O 2230a_100000754632_200015260668 [1,1,0,0,0,0|2,0,0]=4 5700 B11R0.140 COCCNC(=O)CSCC=O 62a_100000183275_200015260668 [1,1,0,0,0,0|2,0,0]=4 5701 B11R0.140 COCCNC(=O)CSCC=O 62a_200015260668_100000183275 [1,1,0,0,0,0|2,0,0]=4 5702 B11R0.140 COCCOC(=O)CSCC=O 62a_200000040189_200015260668 [1,1,0,0,0,0|1,0,0]=3 5703 B11R0.140 COCCOC(=O)CSCC=O 62a_200015260668_200000040189 [1,1,0,0,0,0|1,0,0]=3 5704 B11R0.140 COCCOC(=O)CSCOC 62a_100000766300_200000040189 [1,1,0,0,0,0|2,0,0]=4 5705 B11R0.140 COCCOC(=O)CSCOC 62a_200000040189_100000766300 [1,1,0,0,0,0|2,0,0]=4 5706 B11R0.140 COCCOC(=O)CSCSC 62a_100011218213_200000040189 [1,1,0,0,0,0|2,0,0]=4 5707 B11R0.140 COCCOC(=O)CSCSC 62a_200000040189_100011218213 [1,1,0,0,0,0|2,0,0]=4 5708 B11R0.154 C=CC(=O)CC(=O)OCCCC 1458a_100000185746_100000211628 [1,1,0,0,0,0|0,0,2]=4 5709 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [1,1,0,0,0,0|1,0,1]=4 5710 B11R0.154 C=CC(C)CC(=O)NCCCC 11a_100000102301_100011934298 [1,1,0,0,0,0|1,0,1]=4 5711 B11R0.154 C=CC(C)CC(=O)NCCCC 1626a_100000102301_100011934298 [1,1,0,0,0,0|1,0,1]=4 5712 B11R0.154 C=CC(C)CC(=O)NCCCC 240690a_100000102301_100011934298 [1,1,0,0,0,0|1,0,1]=4 5713 B11R0.154 C=CC(C)CC(=O)NCCCC 527a_100000102301_100011934298 [1,1,0,0,0,0|1,0,1]=4 5714 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [1,1,0,0,0,0|1,0,1]=4 5715 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [1,1,0,0,0,0|1,0,1]=4 5716 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [1,1,0,0,0,0|1,0,1]=4 5717 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [1,1,0,0,0,0|1,0,1]=4 5718 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [1,1,0,0,0,0|1,0,1]=4 5719 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [1,1,0,0,0,0|1,0,1]=4 5720 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [1,1,0,0,0,0|1,0,1]=4 5721 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [1,1,0,0,0,0|1,0,1]=4 5722 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [1,1,0,0,0,0|1,0,1]=4 5723 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [1,1,0,0,0,0|1,0,1]=4 5724 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [1,1,0,0,0,0|1,0,1]=4 5725 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [1,1,0,0,0,0|0,0,2]=4 5726 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [1,1,0,0,0,0|1,0,1]=4 5727 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [1,1,0,0,0,0|1,0,1]=4 5728 B11R0.155 C=CCC(C)C(=O)CCCCC 1458a_100011216819_100000210326 [1,1,0,0,0,0|1,0,1]=4 5729 B11R0.155 C=CCC(C)C(=O)NCCCC 11a_100000102301_100011216819 [1,1,0,0,0,0|1,0,1]=4 5730 B11R0.155 C=CCC(C)C(=O)NCCCC 1626a_100000102301_100011216819 [1,1,0,0,0,0|1,0,1]=4 5731 B11R0.155 C=CCC(C)C(=O)NCCCC 240690a_100000102301_100011216819 [1,1,0,0,0,0|1,0,1]=4 5732 B11R0.155 C=CCC(C)C(=O)NCCCC 527a_100000102301_100011216819 [1,1,0,0,0,0|1,0,1]=4 5733 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [1,1,0,0,0,0|1,0,1]=4 5734 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [1,1,0,0,0,0|1,0,1]=4 5735 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [1,1,0,0,0,0|2,0,0]=4 5736 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [1,1,0,0,0,0|2,0,0]=4 5737 B11R0.155 CCCCCC(=O)C(C)CSC 1458a_100000753918_100000210326 [1,1,0,0,0,0|2,0,0]=4 5738 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [1,1,0,0,0,0|1,0,1]=4 5739 B11R0.155 CCCCNC(=O)C(C)CCC 11a_100000102301_100000210906 [1,1,0,0,0,0|1,0,1]=4 5740 B11R0.155 CCCCNC(=O)C(C)CCC 1626a_100000102301_100000210906 [1,1,0,0,0,0|1,0,1]=4 5741 B11R0.155 CCCCNC(=O)C(C)CCC 240690a_100000102301_100000210906 [1,1,0,0,0,0|1,0,1]=4 5742 B11R0.155 CCCCNC(=O)C(C)CCC 527a_100000102301_100000210906 [1,1,0,0,0,0|1,0,1]=4 5743 B11R0.155 CCCCNC(=O)C(C)COC 11a_100000102301_100000751857 [1,1,0,0,0,0|2,0,0]=4 5744 B11R0.155 CCCCNC(=O)C(C)COC 1626a_100000102301_100000751857 [1,1,0,0,0,0|2,0,0]=4 5745 B11R0.155 CCCCNC(=O)C(C)COC 240690a_100000102301_100000751857 [1,1,0,0,0,0|2,0,0]=4 5746 B11R0.155 CCCCNC(=O)C(C)COC 527a_100000102301_100000751857 [1,1,0,0,0,0|2,0,0]=4 5747 B11R0.155 CCCCNC(=O)C(C)CSC 11a_100000102301_100000753918 [1,1,0,0,0,0|2,0,0]=4 5748 B11R0.155 CCCCNC(=O)C(C)CSC 1626a_100000102301_100000753918 [1,1,0,0,0,0|2,0,0]=4 5749 B11R0.155 CCCCNC(=O)C(C)CSC 240690a_100000102301_100000753918 [1,1,0,0,0,0|2,0,0]=4 5750 B11R0.155 CCCCNC(=O)C(C)CSC 527a_100000102301_100000753918 [1,1,0,0,0,0|2,0,0]=4 5751 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 240690a_100000102301_100009822183 [1,1,0,0,0,0|1,0,1]=4 5752 B11R0.155 CCCCOC(=O)C(C)NCC 2230a_100015525214_100000759602 [1,1,0,0,0,0|1,0,1]=4 5753 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [1,1,0,0,0,0|1,0,1]=4 5754 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [1,1,0,0,0,0|1,0,1]=4 5755 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [1,1,0,0,0,0|1,0,1]=4 5756 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000210202_100000759602 [1,1,0,0,0,0|1,0,1]=4 5757 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000759602_100000210202 [1,1,0,0,0,0|1,0,1]=4 5758 B11R0.1 C=C(C)CC(=O)CC(C)CCC 1458a_100000748435_100000748629 [0,1,0,0,1,0|2,0,0]=4 5759 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100000748435_100000187820 [0,1,0,0,1,0|2,0,0]=4 5760 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100134613110_100011216630 [0,1,0,0,1,0|2,0,0]=4 5761 B11R0.1 CCCC(C)CC(=O)CC(=O)[O-] 1458a_100000748435_100020667443 [0,1,0,0,1,0|2,0,0]=4 5762 B11R0.1 CCCC(C)NC(=O)CC(=O)N 240690a_100000741246_100134613110 [0,1,0,0,1,0|2,0,0]=4 5763 B11R0.1 CCCC(C)NC(=O)CC(=O)N 527a_100000741246_100134613110 [0,1,0,0,1,0|2,0,0]=4 5764 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,1,0,0,1,0|2,0,0]=4 5765 B11R0.6 CC(=O)CC(=O)OCCN(C)C 269982a_100102631434_100000102702 [0,1,0,0,1,0|1,0,0]=3 5766 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,1,0,0,1,0|0,0,1]=3 5767 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [0,1,0,0,1,0|2,0,0]=4 5768 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [0,1,0,0,1,0|2,0,0]=4 5769 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [0,1,0,0,1,0|2,0,0]=4 5770 B11R0.6 CC(C)CCNC(=O)CC(=O)N 240690a_100000210545_100134613110 [0,1,0,0,1,0|2,0,0]=4 5771 B11R0.6 CC(C)CCNC(=O)CC(=O)N 527a_100000210545_100134613110 [0,1,0,0,1,0|2,0,0]=4 5772 B11R0.6 CC(O)CCCC(=O)CC(=O)N 1458a_100134613110_200000718107 [0,1,0,0,1,0|2,0,0]=4 5773 B11R0.6 CC(O)CCNC(=O)CC(=O)N 240690a_200000755665_100134613110 [0,1,0,0,1,0|2,0,0]=4 5774 B11R0.6 CC(O)CCNC(=O)CC(=O)N 527a_200000755665_100134613110 [0,1,0,0,1,0|2,0,0]=4 5775 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,1,0,0,1,0|2,0,0]=4 5776 B11R0.107 CC(=O)CC(=O)NCC(O)CO 1458a_100000070787_200012027429 [0,1,0,0,1,0|2,0,0]=4 5777 B11R0.107 CCC(C)CCC(=O)CC(=O)N 1458a_100000701222_100000187820 [0,1,0,0,1,0|2,0,0]=4 5778 B11R0.107 CCC(C)CCC(=O)CC(=O)[O-] 1458a_100000701222_100020667443 [0,1,0,0,1,0|2,0,0]=4 5779 B11R0.107 CCC(C)CNC(=O)CC(=O)N 240690a_100020588543_100134613110 [0,1,0,0,1,0|2,0,0]=4 5780 B11R0.107 CCC(C)CNC(=O)CC(=O)N 527a_100020588543_100134613110 [0,1,0,0,1,0|2,0,0]=4 5781 B11R0.107 CCC(O)CNC(=O)CC(=O)N 240690a_100011218483_100134613110 [0,1,0,0,1,0|2,0,0]=4 5782 B11R0.107 CCC(O)CNC(=O)CC(=O)N 527a_100011218483_100134613110 [0,1,0,0,1,0|2,0,0]=4 5783 B11R0.139 CC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000179758 [0,1,0,0,1,0|2,0,0]=4 5784 B11R0.139 CCCC#CC(=O)C(C)C(=O)C 1458a_200011218047_100000179758 [0,1,0,0,1,0|1,0,1]=4 5785 B11R0.139 CCCC=CC(=O)C(C)C(=O)C 1458a_100000212230_100000179758 [0,1,0,0,1,0|1,0,1]=4 5786 B11R0.139 CCCCCC(=O)C(C)C(=O)C 1458a_100000212188_100000179758 [0,1,0,0,1,0|1,0,0]=3 5787 B11R0.139 CCCCCC(=O)C(C)C(=O)N 1458a_100000212188_100000702099 [0,1,0,0,1,0|2,0,0]=4 5788 B11R0.139 CCCCCC(=O)C(F)C(=O)N 1458a_100000212188_100009813875 [0,1,0,0,1,0|2,0,0]=4 5789 B11R0.139 CCCCCC(=O)C(F)C(=O)[O-] 1458a_100000212188_100020610796 [0,1,0,0,1,0|2,0,0]=4 5790 B11R0.139 CCCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000735917 [0,1,0,0,1,0|1,0,0]=3 5791 B11R0.139 CCCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000759602 [0,1,0,0,1,0|0,0,0]=2 5792 B11R0.139 CCCCOC(=O)C(C)N(C)C 2230a_100102631434_100000759602 [0,1,0,0,1,0|2,0,0]=4 5793 B11R0.139 CCCCOC(=O)C(C)N(C)C 269982a_100102631434_100000759602 [0,1,0,0,1,0|2,0,0]=4 5794 B11R0.139 CCCOCC(=O)C(C)C(=O)C 1458a_100000745993_100000179758 [0,1,0,0,1,0|2,0,0]=4 5795 B11R0.139 CCCSCC(=O)C(C)C(=O)C 1458a_100000217233_100000179758 [0,1,0,0,1,0|2,0,0]=4 5796 B11R0.139 CCOCCC(=O)C(C)C(=O)C 1458a_100000749530_100000179758 [0,1,0,0,1,0|2,0,0]=4 5797 B11R0.139 CCSCCC(=O)C(C)C(=O)C 1458a_100000230768_100000179758 [0,1,0,0,1,0|2,0,0]=4 5798 B11R0.139 COCCCC(=O)C(C)C(=O)C 1458a_100000741012_100000179758 [0,1,0,0,1,0|2,0,0]=4 5799 B11R0.139 COCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230274 [0,1,0,0,1,0|2,0,0]=4 5800 B11R0.139 CSCCCC(=O)C(C)C(=O)C 1458a_100000173376_100000179758 [0,1,0,0,1,0|2,0,0]=4 5801 B11R0.165 CCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210326 [0,1,0,0,1,0|2,0,0]=4 5802 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 11a_100000102301_100000744497 [0,1,0,0,1,0|2,0,0]=4 5803 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 240690a_100000102301_100000744497 [0,1,0,0,1,0|2,0,0]=4 5804 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 527a_100000102301_100000744497 [0,1,0,0,1,0|2,0,0]=4 5805 B11R0.324 CCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210211 [0,1,0,0,1,0|1,0,1]=4 5806 B13R0.1 C#CCCCCC(=O)CCCC(=O)C 1458a_100000696528_100011215641 [0,1,0,0,0,1|1,0,1]=4 5807 B13R0.1 C#CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100010269958 [0,1,0,0,0,1|1,0,1]=4 5808 B13R0.1 C#CCCCCC(=O)CCNC(=O)C 1458a_100000696528_100000189650 [0,1,0,0,0,1|1,0,1]=4 5809 B13R0.1 C#CCCCCC(=O)CCOC(=O)C 1458a_100000696528_100009814007 [0,1,0,0,0,1|1,0,1]=4 5810 B13R0.1 C#CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100010269958 [0,1,0,0,0,1|1,0,1]=4 5811 B13R0.1 C#CCCCNC(=O)CCNC(=O)C 11a_100000718082_100000183196 [0,1,0,0,0,1|1,0,1]=4 5812 B13R0.1 C#CCCCNC(=O)CCNC(=O)C 1626a_100000718082_100000183196 [0,1,0,0,0,1|1,0,1]=4 5813 B13R0.1 C#CCCCNC(=O)CCNC(=O)C 240690a_100000718082_100000183196 [0,1,0,0,0,1|1,0,1]=4 5814 B13R0.1 C#CCCCNC(=O)CCNC(=O)C 527a_100000718082_100000183196 [0,1,0,0,0,1|1,0,1]=4 5815 B13R0.1 C#CCCCNC(=O)CCSC(=O)C 1626a_100000718082_100000048949 [0,1,0,0,0,1|1,0,1]=4 5816 B13R0.1 C#CCCCNC(=O)CCSC(=O)C 240690a_100000718082_100000048949 [0,1,0,0,0,1|1,0,1]=4 5817 B13R0.1 C=C(C)CNNC(=O)COCCCC 22a_100000729518_100000757543 [0,1,0,0,0,1|2,0,0]=4 5818 B13R0.1 C=C(C)COCC(=O)NCCCCC 34a_100000210245_100000230301 [0,1,0,0,0,1|2,0,0]=4 5819 B13R0.1 C=C(C)COCC(=O)NCCCOC 34a_100000210245_100000183178 [0,1,0,0,0,1|2,0,0]=4 5820 B13R0.1 C=C(C)COCC(=O)OCCOCC 34a_100000210245_200000101388 [0,1,0,0,0,1|1,0,0]=3 5821 B13R0.1 C=C(C)CSCC(=O)NCCCCC 62a_100000230301_100000211660 [0,1,0,0,0,1|2,0,0]=4 5822 B13R0.1 C=C(C)CSCC(=O)NCCCCC 62a_100000748629_100000230301 [0,1,0,0,0,1|2,0,0]=4 5823 B13R0.1 C=C(C)CSCC(=O)NCCCOC 62a_100000183178_100000211660 [0,1,0,0,0,1|2,0,0]=4 5824 B13R0.1 C=C(C)CSCC(=O)OCCOCC 62a_100000748629_200000101388 [0,1,0,0,0,1|1,0,0]=3 5825 B13R0.1 C=C(C)CSCC(=O)OCCOCC 62a_200000101388_100000211660 [0,1,0,0,0,1|1,0,0]=3 5826 B13R0.1 C=C(F)COCC(=O)OCCOCC 34a_200010262243_200000101388 [0,1,0,0,0,1|1,0,1]=4 5827 B13R0.1 C=C(F)CSCC(=O)OCCOCC 62a_100000042424_200000101388 [0,1,0,0,0,1|1,0,1]=4 5828 B13R0.1 C=C(F)CSCC(=O)OCCOCC 62a_200000101388_100000042424 [0,1,0,0,0,1|1,0,1]=4 5829 B13R0.1 C=CCCCCC(=O)CCCC(=O)C 1458a_100011215552_100011215641 [0,1,0,0,0,1|1,0,1]=4 5830 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215482 [0,1,0,0,0,1|1,0,1]=4 5831 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100011215552_100000189650 [0,1,0,0,0,1|1,0,1]=4 5832 B13R0.1 C=CCCCCC(=O)CCOC(=O)C 1458a_100011215552_100009814007 [0,1,0,0,0,1|1,0,1]=4 5833 B13R0.1 C=CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215482 [0,1,0,0,0,1|1,0,1]=4 5834 B13R0.1 C=CCCCNC(=O)CCNC(=O)C 11a_100000700776_100000183196 [0,1,0,0,0,1|1,0,1]=4 5835 B13R0.1 C=CCCCNC(=O)CCNC(=O)C 1626a_100000700776_100000183196 [0,1,0,0,0,1|1,0,1]=4 5836 B13R0.1 C=CCCCNC(=O)CCNC(=O)C 240690a_100000700776_100000183196 [0,1,0,0,0,1|1,0,1]=4 5837 B13R0.1 C=CCCCNC(=O)CCNC(=O)C 527a_100000700776_100000183196 [0,1,0,0,0,1|1,0,1]=4 5838 B13R0.1 C=CCCCNC(=O)CCSC(=O)C 1626a_100000700776_100000048949 [0,1,0,0,0,1|1,0,1]=4 5839 B13R0.1 C=CCCCNC(=O)CCSC(=O)C 240690a_100000700776_100000048949 [0,1,0,0,0,1|1,0,1]=4 5840 B13R0.1 CC(=CCCC(=O)CCCCCO)C 1458a_100102619762_100011217483 [0,1,0,0,0,1|2,0,0]=4 5841 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,1,0,0,0,1|1,0,0]=3 5842 B13R0.1 CC(=O)CCCC(=O)CCOCCO 1458a_100011229844_100011215641 [0,1,0,0,0,1|2,0,0]=4 5843 B13R0.1 CC(=O)NCCC(=O)CCCCC#N 1458a_100000183196_100000211819 [0,1,0,0,0,1|1,0,1]=4 5844 B13R0.1 CC(=O)NCCC(=O)CCCCCF 1458a_100000183196_100000729378 [0,1,0,0,0,1|1,0,0]=3 5845 B13R0.1 CC(=O)NCCC(=O)CCCCCO 1458a_100000183196_100000746330 [0,1,0,0,0,1|1,0,0]=3 5846 B13R0.1 CC(=O)NCCC(=O)CCCCCO 1458a_100102619762_100000189650 [0,1,0,0,0,1|1,0,0]=3 5847 B13R0.1 CC(=O)NCCC(=O)CCOCCO 1458a_100000183196_100011215305 [0,1,0,0,0,1|2,0,0]=4 5848 B13R0.1 CC(=O)NCCC(=O)CCOCCO 1458a_100011229844_100000189650 [0,1,0,0,0,1|2,0,0]=4 5849 B13R0.1 CC(=O)NCCC(=O)NCCCCO 240690a_100000750430_100000183196 [0,1,0,0,0,1|1,0,0]=3 5850 B13R0.1 CC(=O)NCCC(=O)NCCCCO 527a_100000750430_100000183196 [0,1,0,0,0,1|1,0,0]=3 5851 B13R0.1 CC(=O)OCCC(=O)CCCCCO 1458a_100102619762_100009814007 [0,1,0,0,0,1|1,0,0]=3 5852 B13R0.1 CC(=O)OCCC(=O)CCOCCO 1458a_100011229844_100009814007 [0,1,0,0,0,1|2,0,0]=4 5853 B13R0.1 CC(=O)SCCC(=O)CCCCC#N 1458a_100000048949_100000211819 [0,1,0,0,0,1|1,0,1]=4 5854 B13R0.1 CC(=O)SCCC(=O)CCCCCF 1458a_100000048949_100000729378 [0,1,0,0,0,1|1,0,0]=3 5855 B13R0.1 CC(=O)SCCC(=O)CCCCCO 1458a_100000048949_100000746330 [0,1,0,0,0,1|1,0,0]=3 5856 B13R0.1 CC(=O)SCCC(=O)CCOCCO 1458a_100000048949_100011215305 [0,1,0,0,0,1|2,0,0]=4 5857 B13R0.1 CC(=O)SCCC(=O)NCCCCO 240690a_100000750430_100000048949 [0,1,0,0,0,1|1,0,0]=3 5858 B13R0.1 CC/C=C\CCC(=O)CCNC(=O)C 1458a_100000183196_100015370543 [0,1,0,0,0,1|1,0,1]=4 5859 B13R0.1 CC/C=C\CCC(=O)CCSC(=O)C 1458a_100000048949_100015370543 [0,1,0,0,0,1|1,0,1]=4 5860 B13R0.1 CCC/C=C/CC(=O)CCCC(=O)C 1458a_200016266809_100011215641 [0,1,0,0,0,1|1,0,1]=4 5861 B13R0.1 CCC/C=C/CC(=O)CCNC(=O)C 1458a_200016266809_100000189650 [0,1,0,0,0,1|1,0,1]=4 5862 B13R0.1 CCC/C=C/CC(=O)CCOC(=O)C 1458a_200016266809_100009814007 [0,1,0,0,0,1|1,0,1]=4 5863 B13R0.1 CCCCC=CC(=O)CCC=C(C)C 1458a_100016266645_100011217483 [0,1,0,0,0,1|2,0,0]=4 5864 B13R0.1 CCCCC=CC(=O)CCCC(=O)C 1458a_100016266645_100011215641 [0,1,0,0,0,1|1,0,0]=3 5865 B13R0.1 CCCCC=CC(=O)CCCC(=O)N 1458a_100016266645_100102525003 [0,1,0,0,0,1|2,0,0]=4 5866 B13R0.1 CCCCC=CC(=O)CCNC(=O)C 1458a_100016266645_100000189650 [0,1,0,0,0,1|1,0,0]=3 5867 B13R0.1 CCCCC=CC(=O)CCNC(=O)N 1458a_100016266645_200000034859 [0,1,0,0,0,1|2,0,0]=4 5868 B13R0.1 CCCCC=CC(=O)CCOC(=O)C 1458a_100016266645_100009814007 [0,1,0,0,0,1|1,0,0]=3 5869 B13R0.1 CCCCC=CC(=O)CCOC(=O)N 1458a_100016266645_200011214921 [0,1,0,0,0,1|2,0,0]=4 5870 B13R0.1 CCCCC=CC(=O)NCCC(=O)N 11a_100000740010_100016266645 [0,1,0,0,0,1|2,0,0]=4 5871 B13R0.1 CCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100016266645 [0,1,0,0,0,1|2,0,0]=4 5872 B13R0.1 CCCCCCC(=O)CCC=C(C)C 1458a_100102632555_100011217483 [0,1,0,0,0,1|2,0,0]=4 5873 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,1,0,0,0,1|1,0,0]=3 5874 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,1,0,0,0,1|2,0,0]=4 5875 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,1,0,0,0,1|1,0,0]=3 5876 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,1,0,0,0,1|1,0,0]=3 5877 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,1,0,0,0,1|2,0,0]=4 5878 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,1,0,0,0,1|2,0,0]=4 5879 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,1,0,0,0,1|1,0,0]=3 5880 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,1,0,0,0,1|2,0,0]=4 5881 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,1,0,0,0,1|1,0,0]=3 5882 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,1,0,0,0,1|2,0,0]=4 5883 B13R0.1 CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100102632555 [0,1,0,0,0,1|2,0,0]=4 5884 B13R0.1 CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100102632555 [0,1,0,0,0,1|2,0,0]=4 5885 B13R0.1 CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100102632555 [0,1,0,0,0,1|2,0,0]=4 5886 B13R0.1 CCCCCNC(=O)CCNC(=O)C 11a_100000209983_100000183196 [0,1,0,0,0,1|1,0,0]=3 5887 B13R0.1 CCCCCNC(=O)CCNC(=O)C 1626a_100000209983_100000183196 [0,1,0,0,0,1|1,0,0]=3 5888 B13R0.1 CCCCCNC(=O)CCNC(=O)C 240690a_100000209983_100000183196 [0,1,0,0,0,1|1,0,0]=3 5889 B13R0.1 CCCCCNC(=O)CCNC(=O)C 527a_100000209983_100000183196 [0,1,0,0,0,1|1,0,0]=3 5890 B13R0.1 CCCCCNC(=O)CCNC(=O)N 240690a_100000209983_100000181464 [0,1,0,0,0,1|2,0,0]=4 5891 B13R0.1 CCCCCNC(=O)CCNC(=O)N 527a_100000209983_100000181464 [0,1,0,0,0,1|2,0,0]=4 5892 B13R0.1 CCCCCNC(=O)CCSC(=O)C 1626a_100000209983_100000048949 [0,1,0,0,0,1|1,0,0]=3 5893 B13R0.1 CCCCCNC(=O)CCSC(=O)C 240690a_100000209983_100000048949 [0,1,0,0,0,1|1,0,0]=3 5894 B13R0.1 CCCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000230301 [0,1,0,0,0,1|2,0,0]=4 5895 B13R0.1 CCCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000230301 [0,1,0,0,0,1|2,0,0]=4 5896 B13R0.1 CCCCCNC(=O)COCC(=O)C 34a_100000211253_100000230301 [0,1,0,0,0,1|1,0,0]=3 5897 B13R0.1 CCCCCNC(=O)COCC(=O)N 1626a_100000209983_100011219004 [0,1,0,0,0,1|2,0,0]=4 5898 B13R0.1 CCCCCNC(=O)COCC(=O)N 240690a_100000209983_100011219004 [0,1,0,0,0,1|2,0,0]=4 5899 B13R0.1 CCCCCNC(=O)COCC(=O)N 527a_100000209983_100011219004 [0,1,0,0,0,1|2,0,0]=4 5900 B13R0.1 CCCCCNC(=O)CSCC(=O)N 11a_100000209983_100000150265 [0,1,0,0,0,1|2,0,0]=4 5901 B13R0.1 CCCCCNC(=O)CSCC(=O)N 240690a_100000209983_100000150265 [0,1,0,0,0,1|2,0,0]=4 5902 B13R0.1 CCCCCNC(=O)CSCC(=O)N 527a_100000209983_100000150265 [0,1,0,0,0,1|2,0,0]=4 5903 B13R0.1 CCCCCNC(=O)CSCC(=O)N 62a_100000230301_100000747473 [0,1,0,0,0,1|2,0,0]=4 5904 B13R0.1 CCCCCNC(=O)CSCC(=O)N 62a_100000747473_100000230301 [0,1,0,0,0,1|2,0,0]=4 5905 B13R0.1 CCCCCNC(=O)CSCC(=O)[O-] 62a_100000230301_100020667443 [0,1,0,0,0,1|2,0,0]=4 5906 B13R0.1 CCCCCNC(=O)CSCC(=O)[O-] 62a_100020667443_100000230301 [0,1,0,0,0,1|2,0,0]=4 5907 B13R0.1 CCCCCNC(=O)NCCC(=O)N 2708a_100000209983_100000740010 [0,1,0,0,0,1|2,0,0]=4 5908 B13R0.1 CCCCCNC(=O)NCCC(=O)N 273464a_100000209983_100000740010 [0,1,0,0,0,1|2,0,0]=4 5909 B13R0.1 CCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000209983 [0,1,0,0,0,1|2,0,0]=4 5910 B13R0.1 CCCCCNC(=O)NCCC(=O)N 512a_100000209983_100000740010 [0,1,0,0,0,1|2,0,0]=4 5911 B13R0.1 CCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210211 [0,1,0,0,0,1|2,0,0]=4 5912 B13R0.1 CCCCNNC(=O)CCNC(=O)C 22a_100025702795_100000183196 [0,1,0,0,0,1|1,0,0]=3 5913 B13R0.1 CCCCNNC(=O)CCNC(=O)N 22a_100025702795_100000181464 [0,1,0,0,0,1|2,0,0]=4 5914 B13R0.1 CCCCNNC(=O)COCC(=O)N 22a_100025702795_100011219004 [0,1,0,0,0,1|2,0,0]=4 5915 B13R0.1 CCCCNNC(=O)CSCC(=O)N 22a_100025702795_100000150265 [0,1,0,0,0,1|2,0,0]=4 5916 B13R0.1 CCCCNNC(=O)NCCC(=O)N 273464a_100000740010_100025702795 [0,1,0,0,0,1|2,0,0]=4 5917 B13R0.1 CCCCNNC(=O)NCCC(=O)N 512a_100025702795_100000740010 [0,1,0,0,0,1|2,0,0]=4 5918 B13R0.1 CCCCOCC(=O)CCC=C(C)C 1458a_100000757543_100011217483 [0,1,0,0,0,1|1,0,0]=3 5919 B13R0.1 CCCCOCC(=O)CCC=C(F)F 1458a_100000757543_200009816681 [0,1,0,0,0,1|2,0,0]=4 5920 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,1,0,0,0,1|0,0,0]=2 5921 B13R0.1 CCCCOCC(=O)CCCC(=O)N 1458a_100000757543_100102525003 [0,1,0,0,0,1|1,0,0]=3 5922 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100000757543_100011214892 [0,1,0,0,0,1|1,0,1]=4 5923 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100011216857_100011995733 [0,1,0,0,0,1|1,0,1]=4 5924 B13R0.1 CCCCOCC(=O)CCCC(C)O 1458a_100000757543_200000718107 [0,1,0,0,0,1|0,0,2]=4 5925 B13R0.1 CCCCOCC(=O)CCCN(C)C 1458a_100000757543_100000695564 [0,1,0,0,0,1|2,0,0]=4 5926 B13R0.1 CCCCOCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011995733 [0,1,0,0,0,1|2,0,0]=4 5927 B13R0.1 CCCCOCC(=O)CCN=C(N)N 1458a_100000033030_100011995733 [0,1,0,0,0,1|2,0,0]=4 5928 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000183196_100011995733 [0,1,0,0,0,1|0,0,0]=2 5929 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000757543_100000189650 [0,1,0,0,0,1|0,0,0]=2 5930 B13R0.1 CCCCOCC(=O)CCNC(=O)N 1458a_100000181464_100011995733 [0,1,0,0,0,1|1,0,0]=3 5931 B13R0.1 CCCCOCC(=O)CCNC(=O)N 1458a_100000757543_200000034859 [0,1,0,0,0,1|1,0,0]=3 5932 B13R0.1 CCCCOCC(=O)CCOC(=O)C 1458a_100000757543_100009814007 [0,1,0,0,0,1|0,0,0]=2 5933 B13R0.1 CCCCOCC(=O)CCOC(=O)N 1458a_100000757543_200011214921 [0,1,0,0,0,1|1,0,0]=3 5934 B13R0.1 CCCCOCC(=O)CCOC(C)C 1458a_100000757543_100000211751 [0,1,0,0,0,1|1,0,1]=4 5935 B13R0.1 CCCCOCC(=O)CCSC(=O)C 1458a_100000048949_100011995733 [0,1,0,0,0,1|0,0,0]=2 5936 B13R0.1 CCCCOCC(=O)CCSC(C)C 1458a_100000757543_100000730970 [0,1,0,0,0,1|1,0,1]=4 5937 B13R0.1 CCCCOCC(=O)COCC(=O)N 1458a_100011219004_100011995733 [0,1,0,0,0,1|1,0,0]=3 5938 B13R0.1 CCCCOCC(=O)COCC(C)C 1458a_100011223364_100011995733 [0,1,0,0,0,1|1,0,1]=4 5939 B13R0.1 CCCCOCC(=O)NCC=C(C)C 11a_100000718196_100000757543 [0,1,0,0,0,1|1,0,1]=4 5940 B13R0.1 CCCCOCC(=O)NCC=C(C)C 1626a_100000718196_100000757543 [0,1,0,0,0,1|1,0,1]=4 5941 B13R0.1 CCCCOCC(=O)NCC=C(C)C 527a_100000718196_100000757543 [0,1,0,0,0,1|1,0,1]=4 5942 B13R0.1 CCCCOCC(=O)NCCC(=O)N 11a_100000740010_100000757543 [0,1,0,0,0,1|1,0,0]=3 5943 B13R0.1 CCCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000757543 [0,1,0,0,0,1|1,0,0]=3 5944 B13R0.1 CCCCOCC(=O)NCCC(=O)N 527a_100000740010_100000757543 [0,1,0,0,0,1|1,0,0]=3 5945 B13R0.1 CCCCOCC(=O)NCCC(C)C 11a_100000210545_100000757543 [0,1,0,0,0,1|1,0,1]=4 5946 B13R0.1 CCCCOCC(=O)NCCC(C)C 1626a_100000210545_100000757543 [0,1,0,0,0,1|1,0,1]=4 5947 B13R0.1 CCCCOCC(=O)NCCC(C)C 240690a_100000210545_100000757543 [0,1,0,0,0,1|1,0,1]=4 5948 B13R0.1 CCCCOCC(=O)NCCC(C)C 527a_100000210545_100000757543 [0,1,0,0,0,1|1,0,1]=4 5949 B13R0.1 CCCCOCC(=O)NCCC(C)O 240690a_200000755665_100000757543 [0,1,0,0,0,1|0,0,2]=4 5950 B13R0.1 CCCCOCC(=O)NCCC(C)O 527a_200000755665_100000757543 [0,1,0,0,0,1|0,0,2]=4 5951 B13R0.1 CCCCOCC(=O)NCCN(C)C 240690a_100000210585_100000757543 [0,1,0,0,0,1|2,0,0]=4 5952 B13R0.1 CCCCOCC(=O)NCCN(C)C 527a_100000210585_100000757543 [0,1,0,0,0,1|2,0,0]=4 5953 B13R0.1 CCCCOCC(C)OCCC(=O)C 7a_100011217071_100000053229 [0,1,0,0,0,1|1,0,1]=4 5954 B13R0.1 CCCCSCC(=O)CCC=C(C)C 1458a_100000191162_100011217483 [0,1,0,0,0,1|1,1,0]=4 5955 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,1,0,0,0,1|0,1,0]=3 5956 B13R0.1 CCCCSCC(=O)CCCC(=O)N 1458a_100000191162_100102525003 [0,1,0,0,0,1|1,1,0]=4 5957 B13R0.1 CCCCSCC(=O)CCNC(=O)C 1458a_100000191162_100000189650 [0,1,0,0,0,1|0,1,0]=3 5958 B13R0.1 CCCCSCC(=O)CCNC(=O)N 1458a_100000191162_200000034859 [0,1,0,0,0,1|1,1,0]=4 5959 B13R0.1 CCCCSCC(=O)CCOC(=O)C 1458a_100000191162_100009814007 [0,1,0,0,0,1|0,1,0]=3 5960 B13R0.1 CCCCSCC(=O)CCOC(=O)N 1458a_100000191162_200011214921 [0,1,0,0,0,1|1,1,0]=4 5961 B13R0.1 CCCCSCC(=O)NCCC(=O)N 11a_100000740010_100000191162 [0,1,0,0,0,1|1,1,0]=4 5962 B13R0.1 CCCCSCC(=O)NCCC(=O)N 240690a_100000740010_100000191162 [0,1,0,0,0,1|1,1,0]=4 5963 B13R0.1 CCCCSCC(=O)NCCC(=O)N 527a_100000740010_100000191162 [0,1,0,0,0,1|1,1,0]=4 5964 B13R0.1 CCCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215938 [0,1,0,0,0,1|1,0,0]=3 5965 B13R0.1 CCCOCCC(=O)CCNC(=O)N 1458a_100000181464_100011215938 [0,1,0,0,0,1|2,0,0]=4 5966 B13R0.1 CCCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215938 [0,1,0,0,0,1|1,0,0]=3 5967 B13R0.1 CCCOCCC(=O)COCC(=O)N 1458a_100011219004_100011215938 [0,1,0,0,0,1|2,0,0]=4 5968 B13R0.1 CCOCCCC(=O)CCNC(=O)C 1458a_100000183196_100012232248 [0,1,0,0,0,1|1,0,0]=3 5969 B13R0.1 CCOCCCC(=O)CCNC(=O)N 1458a_100000181464_100012232248 [0,1,0,0,0,1|2,0,0]=4 5970 B13R0.1 CCOCCCC(=O)CCSC(=O)C 1458a_100000048949_100012232248 [0,1,0,0,0,1|1,0,0]=3 5971 B13R0.1 CCOCCCC(=O)COCC(=O)N 1458a_100011219004_100012232248 [0,1,0,0,0,1|2,0,0]=4 5972 B13R0.1 CCOCCNC(=O)CCNC(=O)C 11a_100011200944_100000183196 [0,1,0,0,0,1|1,0,0]=3 5973 B13R0.1 CCOCCNC(=O)CCNC(=O)C 1626a_102516460346_100000183196 [0,1,0,0,0,1|1,0,0]=3 5974 B13R0.1 CCOCCNC(=O)CCNC(=O)C 240690a_100011200944_100000183196 [0,1,0,0,0,1|1,0,0]=3 5975 B13R0.1 CCOCCNC(=O)CCNC(=O)C 527a_100011200944_100000183196 [0,1,0,0,0,1|1,0,0]=3 5976 B13R0.1 CCOCCNC(=O)CCNC(=O)N 240690a_100011200944_100000181464 [0,1,0,0,0,1|2,0,0]=4 5977 B13R0.1 CCOCCNC(=O)CCNC(=O)N 527a_100011200944_100000181464 [0,1,0,0,0,1|2,0,0]=4 5978 B13R0.1 CCOCCNC(=O)CCSC(=O)C 1626a_102516460346_100000048949 [0,1,0,0,0,1|1,0,0]=3 5979 B13R0.1 CCOCCNC(=O)CCSC(=O)C 240690a_100011200944_100000048949 [0,1,0,0,0,1|1,0,0]=3 5980 B13R0.1 CCOCCNC(=O)COCC(=O)N 1626a_102516460346_100011219004 [0,1,0,0,0,1|2,0,0]=4 5981 B13R0.1 CCOCCNC(=O)COCC(=O)N 240690a_100011200944_100011219004 [0,1,0,0,0,1|2,0,0]=4 5982 B13R0.1 CCOCCNC(=O)COCC(=O)N 527a_100011200944_100011219004 [0,1,0,0,0,1|2,0,0]=4 5983 B13R0.1 CCOCCNC(=O)CSCC(=O)N 11a_100011200944_100000150265 [0,1,0,0,0,1|2,0,0]=4 5984 B13R0.1 CCOCCNC(=O)CSCC(=O)N 240690a_100011200944_100000150265 [0,1,0,0,0,1|2,0,0]=4 5985 B13R0.1 CCOCCNC(=O)CSCC(=O)N 527a_100011200944_100000150265 [0,1,0,0,0,1|2,0,0]=4 5986 B13R0.1 CCOCCNC(=O)NCCC(=O)N 2708a_100011200944_100000740010 [0,1,0,0,0,1|2,0,0]=4 5987 B13R0.1 CCOCCNC(=O)NCCC(=O)N 273464a_100000740010_102516460346 [0,1,0,0,0,1|2,0,0]=4 5988 B13R0.1 CCOCCNC(=O)NCCC(=O)N 273464a_102516460346_100000740010 [0,1,0,0,0,1|2,0,0]=4 5989 B13R0.1 CCOCCNC(=O)NCCC(=O)N 512a_100011200944_100000740010 [0,1,0,0,0,1|2,0,0]=4 5990 B13R0.1 CCOCCOC(=O)CNCC(=O)N 2230a_100000711301_200000101388 [0,1,0,0,0,1|1,0,0]=3 5991 B13R0.1 CCOCCOC(=O)CNCC(=O)O 269956a_100016091260_200000101388 [0,1,0,0,0,1|1,0,0]=3 5992 B13R0.1 CCOCCOC(=O)CNCC(C)C 2230a_100000210953_200000101388 [0,1,0,0,0,1|1,0,1]=4 5993 B13R0.1 CCOCCOC(=O)CNCC(C)C 34a_100000210953_200000101388 [0,1,0,0,0,1|1,0,1]=4 5994 B13R0.1 CCOCCOC(=O)CNCC(C)O 2230a_100000210904_200000101388 [0,1,0,0,0,1|0,0,2]=4 5995 B13R0.1 CCOCCOC(=O)CNCC(C)O 34a_100000210904_200000101388 [0,1,0,0,0,1|0,0,2]=4 5996 B13R0.1 CCOCCOC(=O)COCC(=O)C 34a_100000211253_200000101388 [0,1,0,0,0,1|0,0,0]=2 5997 B13R0.1 CCOCCOC(=O)COCC(C)Br 34a_100012180447_200000101388 [0,1,0,0,0,1|1,0,1]=4 5998 B13R0.1 CCOCCOC(=O)COCC(C)C 34a_100000210257_200000101388 [0,1,0,0,0,1|1,0,1]=4 5999 B13R0.1 CCOCCOC(=O)COCC(C)F 34a_100015925927_200000101388 [0,1,0,0,0,1|1,0,1]=4 6000 B13R0.1 CCOCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200000101388 [0,1,0,0,0,1|1,0,1]=4 6001 B13R0.1 CCOCCOC(=O)COC[C@@H](C)N 34a_100000737577_200000101388 [0,1,0,0,0,1|1,0,1]=4 6002 B13R0.1 CCOCCOC(=O)CSCC(=O)N 62a_100000747473_200000101388 [0,1,0,0,0,1|1,0,0]=3 6003 B13R0.1 CCOCCOC(=O)CSCC(=O)N 62a_200000101388_100000747473 [0,1,0,0,0,1|1,0,0]=3 6004 B13R0.1 CCOCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200000101388 [0,1,0,0,0,1|1,0,0]=3 6005 B13R0.1 CCOCCOC(=O)CSCC(=O)[O-] 62a_200000101388_100020667443 [0,1,0,0,0,1|1,0,0]=3 6006 B13R0.1 CCOCCOC(=O)CSCC(C)C 62a_100000210624_200000101388 [0,1,0,0,0,1|1,0,1]=4 6007 B13R0.1 CCOCCOC(=O)CSCC(C)C 62a_200000101388_100000210760 [0,1,0,0,0,1|1,0,1]=4 6008 B13R0.1 CCOCCOC(=O)CSCC(C)O 62a_100011218427_200000101388 [0,1,0,0,0,1|0,0,2]=4 6009 B13R0.1 CCOCCOC(=O)CSCC(C)O 62a_200000101388_100011218427 [0,1,0,0,0,1|0,0,2]=4 6010 B13R0.1 CCOCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200000101388 [0,1,0,0,0,1|0,0,2]=4 6011 B13R0.1 CCOCCOC(=O)CSC[C@@H](C)O 62a_200000101388_100009817552 [0,1,0,0,0,1|0,0,2]=4 6012 B13R0.1 CCOCCOC(=O)CSC[N+](=O)[O-] 62a_200000101388_100000761209 [0,1,0,0,0,1|2,0,0]=4 6013 B13R0.1 CCSCCNC(=O)CCNC(=O)C 11a_100000106463_100000183196 [0,1,0,0,0,1|1,0,0]=3 6014 B13R0.1 CCSCCNC(=O)CCNC(=O)C 1626a_100000106463_100000183196 [0,1,0,0,0,1|1,0,0]=3 6015 B13R0.1 CCSCCNC(=O)CCNC(=O)C 240690a_100000106463_100000183196 [0,1,0,0,0,1|1,0,0]=3 6016 B13R0.1 CCSCCNC(=O)CCNC(=O)C 527a_100000106463_100000183196 [0,1,0,0,0,1|1,0,0]=3 6017 B13R0.1 CCSCCNC(=O)CCNC(=O)N 240690a_100000106463_100000181464 [0,1,0,0,0,1|2,0,0]=4 6018 B13R0.1 CCSCCNC(=O)CCNC(=O)N 527a_100000106463_100000181464 [0,1,0,0,0,1|2,0,0]=4 6019 B13R0.1 CCSCCNC(=O)CCSC(=O)C 1626a_100000106463_100000048949 [0,1,0,0,0,1|1,0,0]=3 6020 B13R0.1 CCSCCNC(=O)CCSC(=O)C 240690a_100000106463_100000048949 [0,1,0,0,0,1|1,0,0]=3 6021 B13R0.1 CCSCCNC(=O)COCC(=O)N 1626a_100000106463_100011219004 [0,1,0,0,0,1|2,0,0]=4 6022 B13R0.1 CCSCCNC(=O)COCC(=O)N 240690a_100000106463_100011219004 [0,1,0,0,0,1|2,0,0]=4 6023 B13R0.1 CCSCCNC(=O)COCC(=O)N 527a_100000106463_100011219004 [0,1,0,0,0,1|2,0,0]=4 6024 B13R0.1 CCSCCNC(=O)CSCC(=O)N 11a_100000106463_100000150265 [0,1,0,0,0,1|2,0,0]=4 6025 B13R0.1 CCSCCNC(=O)CSCC(=O)N 240690a_100000106463_100000150265 [0,1,0,0,0,1|2,0,0]=4 6026 B13R0.1 CCSCCNC(=O)CSCC(=O)N 527a_100000106463_100000150265 [0,1,0,0,0,1|2,0,0]=4 6027 B13R0.1 CCSCCNC(=O)NCCC(=O)N 2708a_100000106463_100000740010 [0,1,0,0,0,1|2,0,0]=4 6028 B13R0.1 CCSCCNC(=O)NCCC(=O)N 273464a_100000106463_100000740010 [0,1,0,0,0,1|2,0,0]=4 6029 B13R0.1 CCSCCNC(=O)NCCC(=O)N 273464a_100000740010_100000106463 [0,1,0,0,0,1|2,0,0]=4 6030 B13R0.1 CCSCCNC(=O)NCCC(=O)N 512a_100000106463_100000740010 [0,1,0,0,0,1|2,0,0]=4 6031 B13R0.1 COCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000755781 [0,1,0,0,0,1|1,0,0]=3 6032 B13R0.1 COCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000755781 [0,1,0,0,0,1|2,0,0]=4 6033 B13R0.1 COCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000755781 [0,1,0,0,0,1|1,0,0]=3 6034 B13R0.1 COCCCCC(=O)COCC(=O)N 1458a_100011219004_100000755781 [0,1,0,0,0,1|2,0,0]=4 6035 B13R0.1 COCCCNC(=O)CCNC(=O)C 1626a_100150723488_100000183196 [0,1,0,0,0,1|1,0,0]=3 6036 B13R0.1 COCCCNC(=O)CCNC(=O)C 240690a_100150723488_100000183196 [0,1,0,0,0,1|1,0,0]=3 6037 B13R0.1 COCCCNC(=O)CCNC(=O)C 527a_100150723488_100000183196 [0,1,0,0,0,1|1,0,0]=3 6038 B13R0.1 COCCCNC(=O)CCNC(=O)N 240690a_100150723488_100000181464 [0,1,0,0,0,1|2,0,0]=4 6039 B13R0.1 COCCCNC(=O)CCNC(=O)N 527a_100150723488_100000181464 [0,1,0,0,0,1|2,0,0]=4 6040 B13R0.1 COCCCNC(=O)CCSC(=O)C 1626a_100150723488_100000048949 [0,1,0,0,0,1|1,0,0]=3 6041 B13R0.1 COCCCNC(=O)CCSC(=O)C 240690a_100150723488_100000048949 [0,1,0,0,0,1|1,0,0]=3 6042 B13R0.1 COCCCNC(=O)CNCC(=O)N 2230a_100000711301_100000183178 [0,1,0,0,0,1|2,0,0]=4 6043 B13R0.1 COCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183178 [0,1,0,0,0,1|2,0,0]=4 6044 B13R0.1 COCCCNC(=O)COCC(=O)C 34a_100000211253_100000183178 [0,1,0,0,0,1|1,0,0]=3 6045 B13R0.1 COCCCNC(=O)COCC(=O)N 1626a_100150723488_100011219004 [0,1,0,0,0,1|2,0,0]=4 6046 B13R0.1 COCCCNC(=O)COCC(=O)N 240690a_100150723488_100011219004 [0,1,0,0,0,1|2,0,0]=4 6047 B13R0.1 COCCCNC(=O)COCC(=O)N 527a_100150723488_100011219004 [0,1,0,0,0,1|2,0,0]=4 6048 B13R0.1 COCCCNC(=O)CSCC(=O)N 240690a_100150723488_100000150265 [0,1,0,0,0,1|2,0,0]=4 6049 B13R0.1 COCCCNC(=O)CSCC(=O)N 527a_100150723488_100000150265 [0,1,0,0,0,1|2,0,0]=4 6050 B13R0.1 COCCCNC(=O)CSCC(=O)N 62a_100000183178_100000747473 [0,1,0,0,0,1|2,0,0]=4 6051 B13R0.1 COCCCNC(=O)CSCC(=O)[O-] 62a_100000183178_100020667443 [0,1,0,0,0,1|2,0,0]=4 6052 B13R0.1 COCCCNC(=O)NCCC(=O)N 2708a_100150723488_100000740010 [0,1,0,0,0,1|2,0,0]=4 6053 B13R0.1 COCCCNC(=O)NCCC(=O)N 273464a_100000740010_100150723488 [0,1,0,0,0,1|2,0,0]=4 6054 B13R0.1 COCCCNC(=O)NCCC(=O)N 273464a_100150723488_100000740010 [0,1,0,0,0,1|2,0,0]=4 6055 B13R0.1 COCCNNC(=O)CCNC(=O)C 22a_100000741390_100000183196 [0,1,0,0,0,1|2,0,0]=4 6056 B13R0.1 COCCOCC(=O)CCC=C(C)C 1458a_100000211095_100011217483 [0,1,0,0,0,1|2,0,0]=4 6057 B13R0.1 COCCOCC(=O)CCCC(=O)C 1458a_100000211095_100011215641 [0,1,0,0,0,1|1,0,0]=3 6058 B13R0.1 COCCOCC(=O)CCCC(=O)N 1458a_100000211095_100102525003 [0,1,0,0,0,1|2,0,0]=4 6059 B13R0.1 COCCOCC(=O)CCNC(=O)C 1458a_100000211095_100000189650 [0,1,0,0,0,1|1,0,0]=3 6060 B13R0.1 COCCOCC(=O)CCNC(=O)N 1458a_100000211095_200000034859 [0,1,0,0,0,1|2,0,0]=4 6061 B13R0.1 COCCOCC(=O)CCOC(=O)C 1458a_100000211095_100009814007 [0,1,0,0,0,1|1,0,0]=3 6062 B13R0.1 COCCOCC(=O)CCOC(=O)N 1458a_100000211095_200011214921 [0,1,0,0,0,1|2,0,0]=4 6063 B13R0.1 COCCOCC(=O)NCCC(=O)N 11a_100000740010_100000211095 [0,1,0,0,0,1|2,0,0]=4 6064 B13R0.1 COCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000211095 [0,1,0,0,0,1|2,0,0]=4 6065 B13R0.1 COCCOCC(=O)NCCC(=O)N 527a_100000740010_100000211095 [0,1,0,0,0,1|2,0,0]=4 6066 B13R0.1 CSCCCNC(=O)CCNC(=O)C 11a_100000749238_100000183196 [0,1,0,0,0,1|1,0,0]=3 6067 B13R0.1 CSCCCNC(=O)CCNC(=O)C 1626a_100000749238_100000183196 [0,1,0,0,0,1|1,0,0]=3 6068 B13R0.1 CSCCCNC(=O)CCNC(=O)C 240690a_100000749238_100000183196 [0,1,0,0,0,1|1,0,0]=3 6069 B13R0.1 CSCCCNC(=O)CCNC(=O)C 527a_100000749238_100000183196 [0,1,0,0,0,1|1,0,0]=3 6070 B13R0.1 CSCCCNC(=O)CCNC(=O)N 240690a_100000749238_100000181464 [0,1,0,0,0,1|2,0,0]=4 6071 B13R0.1 CSCCCNC(=O)CCNC(=O)N 527a_100000749238_100000181464 [0,1,0,0,0,1|2,0,0]=4 6072 B13R0.1 CSCCCNC(=O)CCSC(=O)C 1626a_100000749238_100000048949 [0,1,0,0,0,1|1,0,0]=3 6073 B13R0.1 CSCCCNC(=O)CCSC(=O)C 240690a_100000749238_100000048949 [0,1,0,0,0,1|1,0,0]=3 6074 B13R0.1 CSCCCNC(=O)COCC(=O)N 1626a_100000749238_100011219004 [0,1,0,0,0,1|2,0,0]=4 6075 B13R0.1 CSCCCNC(=O)COCC(=O)N 240690a_100000749238_100011219004 [0,1,0,0,0,1|2,0,0]=4 6076 B13R0.1 CSCCCNC(=O)COCC(=O)N 527a_100000749238_100011219004 [0,1,0,0,0,1|2,0,0]=4 6077 B13R0.1 CSCCCNC(=O)CSCC(=O)N 11a_100000749238_100000150265 [0,1,0,0,0,1|2,0,0]=4 6078 B13R0.1 CSCCCNC(=O)CSCC(=O)N 240690a_100000749238_100000150265 [0,1,0,0,0,1|2,0,0]=4 6079 B13R0.1 CSCCCNC(=O)CSCC(=O)N 527a_100000749238_100000150265 [0,1,0,0,0,1|2,0,0]=4 6080 B13R0.1 CSCCCNC(=O)NCCC(=O)N 2708a_100000749238_100000740010 [0,1,0,0,0,1|2,0,0]=4 6081 B13R0.1 CSCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000749238 [0,1,0,0,0,1|2,0,0]=4 6082 B13R0.1 CSCCCNC(=O)NCCC(=O)N 273464a_100000749238_100000740010 [0,1,0,0,0,1|2,0,0]=4 6083 B13R0.1 CSCCCNC(=O)NCCC(=O)N 512a_100000749238_100000740010 [0,1,0,0,0,1|2,0,0]=4 6084 B13R0.1 NC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100102525003 [0,1,0,0,0,1|2,0,0]=4 6085 B13R0.1 NC(=O)CCNC(=O)CCCCCO 240690a_100000740010_100102619762 [0,1,0,0,0,1|2,0,0]=4 6086 B13R0.1 NC(=O)CCNC(=O)NCCCCO 2708a_100000750430_100000740010 [0,1,0,0,0,1|2,0,0]=4 6087 B13R0.1 NC(=O)CCNC(=O)NCCCCO 273464a_100000740010_100000750430 [0,1,0,0,0,1|2,0,0]=4 6088 B13R0.1 NC(=O)CCNC(=O)NCCCCO 273464a_100000750430_100000740010 [0,1,0,0,0,1|2,0,0]=4 6089 B13R0.1 NC(=O)CCNC(=O)NCCCCO 512a_100000750430_100000740010 [0,1,0,0,0,1|2,0,0]=4 6090 B13R0.1 NC(=O)COCC(=O)CCCCCF 1458a_100011219004_100000729378 [0,1,0,0,0,1|2,0,0]=4 6091 B13R0.1 NC(=O)COCC(=O)CCCCCO 1458a_100011219004_100000746330 [0,1,0,0,0,1|2,0,0]=4 6092 B13R0.1 NC(=O)COCC(=O)NCCCCO 240690a_100000750430_100011219004 [0,1,0,0,0,1|2,0,0]=4 6093 B13R0.1 NC(=O)COCC(=O)NCCCCO 527a_100000750430_100011219004 [0,1,0,0,0,1|2,0,0]=4 6094 B13R0.1 NC(=O)CSCC(=O)NCCCCO 240690a_100000750430_100000150265 [0,1,0,0,0,1|2,0,0]=4 6095 B13R0.1 NC(=O)CSCC(=O)NCCCCO 527a_100000750430_100000150265 [0,1,0,0,0,1|2,0,0]=4 6096 B13R0.1 NC(=O)NCCC(=O)CCCCCF 1458a_100000181464_100000729378 [0,1,0,0,0,1|2,0,0]=4 6097 B13R0.1 NC(=O)NCCC(=O)CCCCCO 1458a_100000181464_100000746330 [0,1,0,0,0,1|2,0,0]=4 6098 B13R0.1 NC(=O)NCCC(=O)CCCCCO 1458a_100102619762_200000034859 [0,1,0,0,0,1|2,0,0]=4 6099 B13R0.1 NC(=O)NCCC(=O)NCCCCO 240690a_100000750430_100000181464 [0,1,0,0,0,1|2,0,0]=4 6100 B13R0.1 NC(=O)NCCC(=O)NCCCCO 527a_100000750430_100000181464 [0,1,0,0,0,1|2,0,0]=4 6101 B13R0.1 NC(=O)OCCC(=O)CCCCCO 1458a_100102619762_200011214921 [0,1,0,0,0,1|2,0,0]=4 6102 B13R0.139 C=C(C)COC(C)C(=O)NCCCC 34a_100000210245_100000735917 [0,1,0,0,0,1|2,0,0]=4 6103 B13R0.139 C=C(C)COC(C)C(=O)OCCCC 34a_100000038973_100000748629 [0,1,0,0,0,1|1,0,0]=3 6104 B13R0.139 C=C(C)COC(C)C(=O)OCCCC 34a_100000210245_100000759602 [0,1,0,0,0,1|1,0,0]=3 6105 B13R0.139 C=C(C)COC(C)C(=O)OCCCC 7a_100000038973_100000748629 [0,1,0,0,0,1|1,0,0]=3 6106 B13R0.139 C=C(C)CSC(C)C(=O)NCCCC 62a_100000735917_100000211660 [0,1,0,0,0,1|2,0,0]=4 6107 B13R0.139 C=C(C)CSC(C)C(=O)NCCCC 62a_100000748629_100000735917 [0,1,0,0,0,1|2,0,0]=4 6108 B13R0.139 C=C(C)CSC(C)C(=O)OCCCC 62a_100000748629_100000759602 [0,1,0,0,0,1|1,0,0]=3 6109 B13R0.139 C=C(C)CSC(C)C(=O)OCCCC 62a_100000759602_100000211660 [0,1,0,0,0,1|1,0,0]=3 6110 B13R0.139 C=C(F)COC(C)C(=O)OCCCC 34a_100000038973_100009893438 [0,1,0,0,0,1|1,0,1]=4 6111 B13R0.139 C=C(F)COC(C)C(=O)OCCCC 34a_200010262243_100000759602 [0,1,0,0,0,1|1,0,1]=4 6112 B13R0.139 C=C(F)COC(C)C(=O)OCCCC 7a_100000038973_100000042424 [0,1,0,0,0,1|1,0,1]=4 6113 B13R0.139 C=C(F)CSC(C)C(=O)OCCCC 62a_100000042424_100000759602 [0,1,0,0,0,1|1,0,1]=4 6114 B13R0.139 C=C(F)CSC(C)C(=O)OCCCC 62a_100000759602_100000042424 [0,1,0,0,0,1|1,0,1]=4 6115 B13R0.139 CC(=O)SC[C@@H](C)C(=O)CCCCF 1458a_200015407212_100000729493 [0,1,0,0,0,1|2,0,0]=4 6116 B13R0.139 CC(=O)SC[C@@H](C)C(=O)CCCCO 1458a_200015407212_100000210776 [0,1,0,0,0,1|2,0,0]=4 6117 B13R0.139 CC(=O)SC[C@@H](C)C(=O)NCCCF 11a_100015189416_200015407212 [0,1,0,0,0,1|2,0,0]=4 6118 B13R0.139 CC(=O)SC[C@@H](C)C(=O)NCCCF 1626a_100015189416_200015407212 [0,1,0,0,0,1|2,0,0]=4 6119 B13R0.139 CC(=O)SC[C@@H](C)C(=O)NCCCF 240690a_100015189416_200015407212 [0,1,0,0,0,1|2,0,0]=4 6120 B13R0.139 CC(=O)SC[C@@H](C)C(=O)NCCCF 527a_100015189416_200015407212 [0,1,0,0,0,1|2,0,0]=4 6121 B13R0.139 CC(=O)SC[C@@H](C)C(=O)NCCCO 240690a_100000182051_200015407212 [0,1,0,0,0,1|2,0,0]=4 6122 B13R0.139 CC(=O)SC[C@@H](C)C(=O)NCCCO 527a_100000182051_200015407212 [0,1,0,0,0,1|2,0,0]=4 6123 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000212188 [0,1,0,0,0,1|2,0,0]=4 6124 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000212188 [0,1,0,0,0,1|2,0,0]=4 6125 B13R0.139 CCCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000212188 [0,1,0,0,0,1|2,0,0]=4 6126 B13R0.139 CCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210326 [0,1,0,0,0,1|1,0,0]=3 6127 B13R0.139 CCCCNC(=O)C(C)NCC(=O)N 2230a_100000711301_100000735917 [0,1,0,0,0,1|2,0,0]=4 6128 B13R0.139 CCCCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000735917 [0,1,0,0,0,1|2,0,0]=4 6129 B13R0.139 CCCCNC(=O)C(C)OCC(=O)C 34a_100000211253_100000735917 [0,1,0,0,0,1|1,0,0]=3 6130 B13R0.139 CCCCNC(=O)C(C)SCC(=O)N 62a_100000735917_100000747473 [0,1,0,0,0,1|2,0,0]=4 6131 B13R0.139 CCCCNC(=O)C(C)SCC(=O)N 62a_100000747473_100000735917 [0,1,0,0,0,1|2,0,0]=4 6132 B13R0.139 CCCCNC(=O)C(C)SCC(=O)[O-] 62a_100000735917_100020667443 [0,1,0,0,0,1|2,0,0]=4 6133 B13R0.139 CCCCNC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000735917 [0,1,0,0,0,1|2,0,0]=4 6134 B13R0.139 CCCCNC(=O)N(C)CCC(=O)N 2708a_100000102301_100000730477 [0,1,0,0,0,1|2,0,0]=4 6135 B13R0.139 CCCCNC(=O)N(C)CCC(=O)N 273464a_100000102301_100000730477 [0,1,0,0,0,1|2,0,0]=4 6136 B13R0.139 CCCCNC(=O)[C@H](C)CSC(=O)C 11a_100000102301_200015407212 [0,1,0,0,0,1|1,0,0]=3 6137 B13R0.139 CCCCNC(=O)[C@H](C)CSC(=O)C 1626a_100000102301_200015407212 [0,1,0,0,0,1|1,0,0]=3 6138 B13R0.139 CCCCNC(=O)[C@H](C)CSC(=O)C 240690a_100000102301_200015407212 [0,1,0,0,0,1|1,0,0]=3 6139 B13R0.139 CCCCNC(=O)[C@H](C)CSC(=O)C 527a_100000102301_200015407212 [0,1,0,0,0,1|1,0,0]=3 6140 B13R0.139 CCCCOC(=O)C(C)NCC(=O)N 2230a_100000711301_100000759602 [0,1,0,0,0,1|1,0,0]=3 6141 B13R0.139 CCCCOC(=O)C(C)NCC(=O)O 269956a_100016091260_100000759602 [0,1,0,0,0,1|1,0,0]=3 6142 B13R0.139 CCCCOC(=O)C(C)NCC(C)C 2230a_100000210953_100000759602 [0,1,0,0,0,1|1,0,1]=4 6143 B13R0.139 CCCCOC(=O)C(C)NCC(C)C 34a_100000210953_100000759602 [0,1,0,0,0,1|1,0,1]=4 6144 B13R0.139 CCCCOC(=O)C(C)NCC(C)O 2230a_100000210904_100000759602 [0,1,0,0,0,1|0,0,2]=4 6145 B13R0.139 CCCCOC(=O)C(C)NCC(C)O 34a_100000210904_100000759602 [0,1,0,0,0,1|0,0,2]=4 6146 B13R0.139 CCCCOC(=O)C(C)OCC(=O)C 34a_100000211253_100000759602 [0,1,0,0,0,1|0,0,0]=2 6147 B13R0.139 CCCCOC(=O)C(C)OCC(=O)N 34a_100000038973_100000187820 [0,1,0,0,0,1|1,0,0]=3 6148 B13R0.139 CCCCOC(=O)C(C)OCC(=O)N 7a_100000038973_100000187820 [0,1,0,0,0,1|1,0,0]=3 6149 B13R0.139 CCCCOC(=O)C(C)OCC(=O)[O-] 34a_100000038973_100020667443 [0,1,0,0,0,1|1,0,0]=3 6150 B13R0.139 CCCCOC(=O)C(C)OCC(C)Br 34a_100012180447_100000759602 [0,1,0,0,0,1|1,0,1]=4 6151 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 34a_100000038973_100000210624 [0,1,0,0,0,1|1,0,1]=4 6152 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 34a_100000210257_100000759602 [0,1,0,0,0,1|1,0,1]=4 6153 B13R0.139 CCCCOC(=O)C(C)OCC(C)C 7a_100000038973_100000210760 [0,1,0,0,0,1|1,0,1]=4 6154 B13R0.139 CCCCOC(=O)C(C)OCC(C)F 34a_100015925927_100000759602 [0,1,0,0,0,1|1,0,1]=4 6155 B13R0.139 CCCCOC(=O)C(C)OCC(C)O 34a_100000038973_100011218427 [0,1,0,0,0,1|0,0,2]=4 6156 B13R0.139 CCCCOC(=O)C(C)OCC(C)O 7a_100000038973_100011218427 [0,1,0,0,0,1|0,0,2]=4 6157 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000759602 [0,1,0,0,0,1|1,0,1]=4 6158 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000759602 [0,1,0,0,0,1|1,0,1]=4 6159 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)O 34a_100000038973_100009817552 [0,1,0,0,0,1|0,0,2]=4 6160 B13R0.139 CCCCOC(=O)C(C)OC[C@@H](C)O 7a_100000038973_100009817552 [0,1,0,0,0,1|0,0,2]=4 6161 B13R0.139 CCCCOC(=O)C(C)OC[N+](=O)[O-] 34a_100000038973_100000761209 [0,1,0,0,0,1|2,0,0]=4 6162 B13R0.139 CCCCOC(=O)C(C)SCC(=O)N 62a_100000747473_100000759602 [0,1,0,0,0,1|1,0,0]=3 6163 B13R0.139 CCCCOC(=O)C(C)SCC(=O)N 62a_100000759602_100000747473 [0,1,0,0,0,1|1,0,0]=3 6164 B13R0.139 CCCCOC(=O)C(C)SCC(=O)[O-] 62a_100000759602_100020667443 [0,1,0,0,0,1|1,0,0]=3 6165 B13R0.139 CCCCOC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100000759602 [0,1,0,0,0,1|1,0,0]=3 6166 B13R0.139 CCCCOC(=O)C(C)SCC(C)C 62a_100000210624_100000759602 [0,1,0,0,0,1|1,0,1]=4 6167 B13R0.139 CCCCOC(=O)C(C)SCC(C)C 62a_100000759602_100000210760 [0,1,0,0,0,1|1,0,1]=4 6168 B13R0.139 CCCCOC(=O)C(C)SCC(C)O 62a_100000759602_100011218427 [0,1,0,0,0,1|0,0,2]=4 6169 B13R0.139 CCCCOC(=O)C(C)SCC(C)O 62a_100011218427_100000759602 [0,1,0,0,0,1|0,0,2]=4 6170 B13R0.139 CCCCOC(=O)C(C)SC[C@@H](C)O 62a_100000759602_100009817552 [0,1,0,0,0,1|0,0,2]=4 6171 B13R0.139 CCCCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000759602 [0,1,0,0,0,1|0,0,2]=4 6172 B13R0.139 CCCCOC(=O)C(C)SC[N+](=O)[O-] 62a_100000759602_100000761209 [0,1,0,0,0,1|2,0,0]=4 6173 B13R0.139 CCOCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100011215890 [0,1,0,0,0,1|2,0,0]=4 6174 B13R0.139 CCSCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000757381 [0,1,0,0,0,1|2,0,0]=4 6175 B13R0.139 COCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000740836 [0,1,0,0,0,1|2,0,0]=4 6176 B13R0.139 COCCNC(=O)[C@H](C)CSC(=O)C 1626a_100000209980_200015407212 [0,1,0,0,0,1|2,0,0]=4 6177 B13R0.139 COCCNC(=O)[C@H](C)CSC(=O)C 240690a_100000209980_200015407212 [0,1,0,0,0,1|2,0,0]=4 6178 B13R0.139 COCCNC(=O)[C@H](C)CSC(=O)C 527a_100000209980_200015407212 [0,1,0,0,0,1|2,0,0]=4 6179 B13R0.139 CSCCNC(=O)[C@H](C)CSC(=O)C 11a_100020590264_200015407212 [0,1,0,0,0,1|2,0,0]=4 6180 B13R0.139 CSCCNC(=O)[C@H](C)CSC(=O)C 1626a_100020590264_200015407212 [0,1,0,0,0,1|2,0,0]=4 6181 B13R0.139 CSCCNC(=O)[C@H](C)CSC(=O)C 240690a_100020590264_200015407212 [0,1,0,0,0,1|2,0,0]=4 6182 B13R0.139 CSCCNC(=O)[C@H](C)CSC(=O)C 527a_100020590264_200015407212 [0,1,0,0,0,1|2,0,0]=4 6183 B13R0.194 C=C(C#N)CSCC(=O)OCCCC 62a_100000211628_100000694840 [0,1,0,0,0,1|1,0,1]=4 6184 B13R0.194 C=CC(=O)OCCC(=O)CCCCC 1458a_100000065099_100000210326 [0,1,0,0,0,1|1,0,1]=4 6185 B13R0.194 C=CC(=O)OCCC(=O)CCCCC 1458a_100000212188_100009813456 [0,1,0,0,0,1|1,0,1]=4 6186 B13R0.194 C=CC(=O)OCCC(=O)NCCCC 240690a_100000102301_100000065099 [0,1,0,0,0,1|1,0,1]=4 6187 B13R0.194 C=CC(C)COCC(=O)OCCCC 34a_100011215527_100000211628 [0,1,0,0,0,1|1,0,1]=4 6188 B13R0.194 C=CC(C)COCC(=O)OCCCC 7a_100011215527_100000211628 [0,1,0,0,0,1|1,0,1]=4 6189 B13R0.194 CCC(=O)COCC(=O)NCCOC 34a_100000725409_100000183275 [0,1,0,0,0,1|2,0,0]=4 6190 B13R0.194 CCC(=O)COCC(=O)OCCOC 34a_100000725409_200000040189 [0,1,0,0,0,1|1,0,0]=3 6191 B13R0.194 CCC(=O)CSCC(=O)NCCOC 62a_100000183275_100000747405 [0,1,0,0,0,1|2,0,0]=4 6192 B13R0.194 CCC(=O)CSCC(=O)NCCOC 62a_100000747405_100000183275 [0,1,0,0,0,1|2,0,0]=4 6193 B13R0.194 CCC(=O)CSCC(=O)OCCOC 62a_100000747405_200000040189 [0,1,0,0,0,1|1,0,0]=3 6194 B13R0.194 CCC(=O)CSCC(=O)OCCOC 62a_200000040189_100000747405 [0,1,0,0,0,1|1,0,0]=3 6195 B13R0.194 CCCC#CC(=O)CCCC(=O)NC 1458a_200011218047_100000741757 [0,1,0,0,0,1|1,0,1]=4 6196 B13R0.194 CCCC#CC(=O)CCCC(=O)OC 1458a_200011218047_100011218270 [0,1,0,0,0,1|1,0,1]=4 6197 B13R0.194 CCCC#CC(=O)CCOC(=O)NC 1458a_200011218047_200011997002 [0,1,0,0,0,1|1,0,1]=4 6198 B13R0.194 CCCC#CC(=O)NCCC(=O)NC 240690a_100000738227_200011218047 [0,1,0,0,0,1|1,0,1]=4 6199 B13R0.194 CCCC=CC(=O)CCCC(=O)NC 1458a_100000212230_100000741757 [0,1,0,0,0,1|1,0,1]=4 6200 B13R0.194 CCCC=CC(=O)CCCC(=O)OC 1458a_100000212230_100011218270 [0,1,0,0,0,1|1,0,1]=4 6201 B13R0.194 CCCC=CC(=O)CCOC(=O)NC 1458a_100000212230_200011997002 [0,1,0,0,0,1|1,0,1]=4 6202 B13R0.194 CCCC=CC(=O)NCCC(=O)NC 11a_100000738227_100000212230 [0,1,0,0,0,1|1,0,1]=4 6203 B13R0.194 CCCC=CC(=O)NCCC(=O)NC 240690a_100000738227_100000212230 [0,1,0,0,0,1|1,0,1]=4 6204 B13R0.194 CCCC=CC(=O)NCCC(=O)OC 188690a_100000683876_100000212230 [0,1,0,0,0,1|1,0,1]=4 6205 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,1,0,0,0,1|1,0,0]=3 6206 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,1,0,0,0,1|1,0,0]=3 6207 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,1,0,0,0,1|1,0,0]=3 6208 B13R0.194 CCCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210326 [0,1,0,0,0,1|2,0,0]=4 6209 B13R0.194 CCCCCC(=O)CCOC(=O)NC 1458a_100000212188_200011997002 [0,1,0,0,0,1|1,0,0]=3 6210 B13R0.194 CCCCCC(=O)CNCC(=O)NC 2230a_100000693194_200012276598 [0,1,0,0,0,1|1,0,0]=3 6211 B13R0.194 CCCCCC(=O)COCC(=O)CC 34a_100000725409_200012276598 [0,1,0,0,0,1|1,0,0]=3 6212 B13R0.194 CCCCCC(=O)COCC(=O)NC 34a_100000750040_200012276598 [0,1,0,0,0,1|1,0,0]=3 6213 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_100000747405_200012276598 [0,1,0,0,0,1|1,0,0]=3 6214 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_200012276598_100000747405 [0,1,0,0,0,1|1,0,0]=3 6215 B13R0.194 CCCCCC(=O)CSCC(=O)NC 62a_100000183359_200012276598 [0,1,0,0,0,1|1,0,0]=3 6216 B13R0.194 CCCCCC(=O)CSCC(=O)NC 62a_200012276598_100000183359 [0,1,0,0,0,1|1,0,0]=3 6217 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [0,1,0,0,0,1|1,0,0]=3 6218 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [0,1,0,0,0,1|1,0,0]=3 6219 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [0,1,0,0,0,1|1,0,0]=3 6220 B13R0.194 CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000212188 [0,1,0,0,0,1|1,0,0]=3 6221 B13R0.194 CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000212188 [0,1,0,0,0,1|1,0,0]=3 6222 B13R0.194 CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000212188 [0,1,0,0,0,1|1,0,0]=3 6223 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [0,1,0,0,0,1|1,0,0]=3 6224 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [0,1,0,0,0,1|1,0,0]=3 6225 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [0,1,0,0,0,1|1,0,0]=3 6226 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [0,1,0,0,0,1|1,0,0]=3 6227 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [0,1,0,0,0,1|1,0,0]=3 6228 B13R0.194 CCCCNC(=O)CCCN(C)N=O 11a_100000102301_200000076914 [0,1,0,0,0,1|2,0,0]=4 6229 B13R0.194 CCCCNC(=O)CCCN(C)N=O 1626a_100000102301_200000076914 [0,1,0,0,0,1|2,0,0]=4 6230 B13R0.194 CCCCNC(=O)CCCN(C)N=O 240690a_100000102301_200000076914 [0,1,0,0,0,1|2,0,0]=4 6231 B13R0.194 CCCCNC(=O)CCCN(C)N=O 527a_100000102301_200000076914 [0,1,0,0,0,1|2,0,0]=4 6232 B13R0.194 CCCCNC(=O)CNCC(=O)NC 2230a_100000693194_100000182744 [0,1,0,0,0,1|1,0,0]=3 6233 B13R0.194 CCCCNC(=O)COCC(=O)CC 34a_100000725409_100000182744 [0,1,0,0,0,1|1,0,0]=3 6234 B13R0.194 CCCCNC(=O)COCC(=O)NC 34a_100000750040_100000182744 [0,1,0,0,0,1|1,0,0]=3 6235 B13R0.194 CCCCNC(=O)CSCC(=O)CC 62a_100000182744_100000747405 [0,1,0,0,0,1|1,0,0]=3 6236 B13R0.194 CCCCNC(=O)CSCC(=O)CC 62a_100000747405_100000182744 [0,1,0,0,0,1|1,0,0]=3 6237 B13R0.194 CCCCNC(=O)CSCC(=O)NC 62a_100000182744_100000183359 [0,1,0,0,0,1|1,0,0]=3 6238 B13R0.194 CCCCNC(=O)CSCC(=O)NC 62a_100000183359_100000182744 [0,1,0,0,0,1|1,0,0]=3 6239 B13R0.194 CCCCNC(=O)CSCC(=O)OC 11a_100000102301_100000191316 [0,1,0,0,0,1|1,0,0]=3 6240 B13R0.194 CCCCNC(=O)CSCC(=O)OC 1626a_100000102301_100000191316 [0,1,0,0,0,1|1,0,0]=3 6241 B13R0.194 CCCCNC(=O)CSCC(=O)OC 240690a_100000102301_100000191316 [0,1,0,0,0,1|1,0,0]=3 6242 B13R0.194 CCCCNC(=O)CSCC(=O)OC 62a_100000182744_100000747449 [0,1,0,0,0,1|1,0,0]=3 6243 B13R0.194 CCCCNC(=O)CSCC(=O)OC 62a_100000747449_100000182744 [0,1,0,0,0,1|1,0,0]=3 6244 B13R0.194 CCCCNC(=O)NCCC(=O)NC 2708a_100000102301_100000738227 [0,1,0,0,0,1|1,0,0]=3 6245 B13R0.194 CCCCNC(=O)NCCC(=O)NC 273464a_100000102301_100000738227 [0,1,0,0,0,1|1,0,0]=3 6246 B13R0.194 CCCCNC(=O)NCCC(=O)NC 273464a_100000738227_100000102301 [0,1,0,0,0,1|1,0,0]=3 6247 B13R0.194 CCCCNC(=O)NCCC(=O)NC 512a_100000102301_100000738227 [0,1,0,0,0,1|1,0,0]=3 6248 B13R0.194 CCCCNC(=O)NCCC(=O)NC 512a_100000738227_100000102301 [0,1,0,0,0,1|1,0,0]=3 6249 B13R0.194 CCCCOC(=O)CNCC(=O)NC 2230a_100000693194_100000211628 [0,1,0,0,0,1|0,0,0]=2 6250 B13R0.194 CCCCOC(=O)CNCC(C)CC 2230a_100020588543_100000211628 [0,1,0,0,0,1|1,0,1]=4 6251 B13R0.194 CCCCOC(=O)CNCC(C)CO 34a_100000744482_100000211628 [0,1,0,0,0,1|0,0,2]=4 6252 B13R0.194 CCCCOC(=O)CNCC(O)CC 2230a_100011218483_100000211628 [0,1,0,0,0,1|0,0,2]=4 6253 B13R0.194 CCCCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000211628 [0,1,0,0,0,1|0,0,2]=4 6254 B13R0.194 CCCCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000211628 [0,1,0,0,0,1|1,0,1]=4 6255 B13R0.194 CCCCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000211628 [0,1,0,0,0,1|0,0,2]=4 6256 B13R0.194 CCCCOC(=O)COCC(=O)CC 34a_100000725409_100000211628 [0,1,0,0,0,1|0,0,0]=2 6257 B13R0.194 CCCCOC(=O)COCC(=O)NC 34a_100000750040_100000211628 [0,1,0,0,0,1|0,0,0]=2 6258 B13R0.194 CCCCOC(=O)COCC(C)CN 34a_100000744482_100000211628 [0,1,0,0,0,1|1,0,1]=4 6259 B13R0.194 CCCCOC(=O)COCC(C)OC 34a_100000690652_100000211628 [0,1,0,0,0,1|0,0,2]=4 6260 B13R0.194 CCCCOC(=O)COCC(Cl)CCl 34a_100000033668_100000211628 [0,1,0,0,0,1|1,0,1]=4 6261 B13R0.194 CCCCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000211628 [0,1,0,0,0,1|1,0,1]=4 6262 B13R0.194 CCCCOC(=O)COC[C@H](F)CN 34a_100015665980_100000211628 [0,1,0,0,0,1|1,0,1]=4 6263 B13R0.194 CCCCOC(=O)CSCC(=O)CC 62a_100000211628_100000747405 [0,1,0,0,0,1|0,0,0]=2 6264 B13R0.194 CCCCOC(=O)CSCC(=O)CC 62a_100000747405_100000211628 [0,1,0,0,0,1|0,0,0]=2 6265 B13R0.194 CCCCOC(=O)CSCC(=O)NC 62a_100000183359_100000211628 [0,1,0,0,0,1|0,0,0]=2 6266 B13R0.194 CCCCOC(=O)CSCC(=O)NC 62a_100000211628_100000183359 [0,1,0,0,0,1|0,0,0]=2 6267 B13R0.194 CCCCOC(=O)CSCC(=O)OC 62a_100000211628_100000747449 [0,1,0,0,0,1|0,0,0]=2 6268 B13R0.194 CCCCOC(=O)CSCC(=O)OC 62a_100000747449_100000211628 [0,1,0,0,0,1|0,0,0]=2 6269 B13R0.194 CCCCOC(=O)CSCC(C)CC 62a_100000211628_100000748023 [0,1,0,0,0,1|1,0,1]=4 6270 B13R0.194 CCCCOC(=O)CSCC(C)CC 62a_100000748023_100000211628 [0,1,0,0,0,1|1,0,1]=4 6271 B13R0.194 CCCCOC(=O)CSCC(O)CC 62a_100000211628_100011218378 [0,1,0,0,0,1|0,0,2]=4 6272 B13R0.194 CCCCOC(=O)CSCC(O)CC 62a_100011218378_100000211628 [0,1,0,0,0,1|0,0,2]=4 6273 B13R0.194 CCCCOC(=O)CSCC(O)CO 62a_100000211628_100011219619 [0,1,0,0,0,1|0,0,2]=4 6274 B13R0.194 CCCCOC(=O)CSCC(O)CO 62a_100011219619_100000211628 [0,1,0,0,0,1|0,0,2]=4 6275 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CC 62a_100000211628_100009816398 [0,1,0,0,0,1|1,0,1]=4 6276 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000211628 [0,1,0,0,0,1|1,0,1]=4 6277 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000211628 [0,1,0,0,0,1|0,0,2]=4 6278 B13R0.194 CCCCOC(=O)CSC[C@@H](C)CO 62a_100000211628_100000059175 [0,1,0,0,0,1|0,0,2]=4 6279 B13R0.194 CCCCOC(=O)CSC[C@@H](O)CF 62a_100000211628_100015614560 [0,1,0,0,0,1|0,0,2]=4 6280 B13R0.194 CCCCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000211628 [0,1,0,0,0,1|0,0,2]=4 6281 B13R0.194 CCCCOC(=O)CSC[C@@H](O)CO 62a_100000211628_100009815848 [0,1,0,0,0,1|0,0,2]=4 6282 B13R0.194 CCCCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000211628 [0,1,0,0,0,1|0,0,2]=4 6283 B13R0.194 CCCNNC(=O)CCCC(=O)OC 22a_100000740057_100000239890 [0,1,0,0,0,1|2,0,0]=4 6284 B13R0.194 CCCNNC(=O)CSCC(=O)OC 22a_100000740057_100000191316 [0,1,0,0,0,1|2,0,0]=4 6285 B13R0.194 CCCNNC(=O)NCCC(=O)NC 273464a_100000738227_100000740057 [0,1,0,0,0,1|2,0,0]=4 6286 B13R0.194 CCCNNC(=O)NCCC(=O)NC 512a_100000738227_100000740057 [0,1,0,0,0,1|2,0,0]=4 6287 B13R0.194 CCCNNC(=O)NCCC(=O)NC 512a_100000740057_100000738227 [0,1,0,0,0,1|2,0,0]=4 6288 B13R0.194 CCCOCC(=O)CCCC(=O)NC 1458a_100000745993_100000741757 [0,1,0,0,0,1|2,0,0]=4 6289 B13R0.194 CCCOCC(=O)CCCC(=O)OC 1458a_100000745993_100011218270 [0,1,0,0,0,1|2,0,0]=4 6290 B13R0.194 CCCOCC(=O)CCOC(=O)NC 1458a_100000745993_200011997002 [0,1,0,0,0,1|2,0,0]=4 6291 B13R0.194 CCCOCC(=O)NCCC(=O)NC 11a_100000738227_100000745993 [0,1,0,0,0,1|2,0,0]=4 6292 B13R0.194 CCCOCC(=O)NCCC(=O)NC 240690a_100000738227_100000745993 [0,1,0,0,0,1|2,0,0]=4 6293 B13R0.194 CCCOCC(=O)NCCC(=O)NC 527a_100000738227_100000745993 [0,1,0,0,0,1|2,0,0]=4 6294 B13R0.194 CCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000745993 [0,1,0,0,0,1|2,0,0]=4 6295 B13R0.194 CCCOCC(=O)NCCC(=O)OC 34a_100000210258_100000230212 [0,1,0,0,0,1|2,0,0]=4 6296 B13R0.194 CCCSCC(=O)CCCC(=O)NC 1458a_100000217233_100000741757 [0,1,0,0,0,1|2,0,0]=4 6297 B13R0.194 CCCSCC(=O)CCCC(=O)OC 1458a_100000217233_100011218270 [0,1,0,0,0,1|2,0,0]=4 6298 B13R0.194 CCCSCC(=O)CCOC(=O)NC 1458a_100000217233_200011997002 [0,1,0,0,0,1|2,0,0]=4 6299 B13R0.194 CCCSCC(=O)NCCC(=O)NC 11a_100000738227_100000217233 [0,1,0,0,0,1|2,0,0]=4 6300 B13R0.194 CCCSCC(=O)NCCC(=O)NC 240690a_100000738227_100000217233 [0,1,0,0,0,1|2,0,0]=4 6301 B13R0.194 CCCSCC(=O)NCCC(=O)NC 527a_100000738227_100000217233 [0,1,0,0,0,1|2,0,0]=4 6302 B13R0.194 CCCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000217233 [0,1,0,0,0,1|2,0,0]=4 6303 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000210303_100000230212 [0,1,0,0,0,1|2,0,0]=4 6304 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210303 [0,1,0,0,0,1|2,0,0]=4 6305 B13R0.194 CCOCCC(=O)CCCC(=O)NC 1458a_100000749530_100000741757 [0,1,0,0,0,1|2,0,0]=4 6306 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215890 [0,1,0,0,0,1|2,0,0]=4 6307 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000749530_100011218270 [0,1,0,0,0,1|2,0,0]=4 6308 B13R0.194 CCOCCC(=O)CCOC(=O)NC 1458a_100000749530_200011997002 [0,1,0,0,0,1|2,0,0]=4 6309 B13R0.194 CCOCCC(=O)CSCC(=O)OC 1458a_100000191316_100011215890 [0,1,0,0,0,1|2,0,0]=4 6310 B13R0.194 CCOCCC(=O)NCCC(=O)NC 11a_100000738227_100000749530 [0,1,0,0,0,1|2,0,0]=4 6311 B13R0.194 CCOCCC(=O)NCCC(=O)NC 240690a_100000738227_100000749530 [0,1,0,0,0,1|2,0,0]=4 6312 B13R0.194 CCOCCC(=O)NCCC(=O)NC 527a_100000738227_100000749530 [0,1,0,0,0,1|2,0,0]=4 6313 B13R0.194 CCOCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749530 [0,1,0,0,0,1|2,0,0]=4 6314 B13R0.194 CCSCCC(=O)CCCC(=O)NC 1458a_100000230768_100000741757 [0,1,0,0,0,1|2,0,0]=4 6315 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000230768_100011218270 [0,1,0,0,0,1|2,0,0]=4 6316 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757381 [0,1,0,0,0,1|2,0,0]=4 6317 B13R0.194 CCSCCC(=O)CCOC(=O)NC 1458a_100000230768_200011997002 [0,1,0,0,0,1|2,0,0]=4 6318 B13R0.194 CCSCCC(=O)CSCC(=O)OC 1458a_100000191316_100000757381 [0,1,0,0,0,1|2,0,0]=4 6319 B13R0.194 CCSCCC(=O)NCCC(=O)NC 11a_100000738227_100000230768 [0,1,0,0,0,1|2,0,0]=4 6320 B13R0.194 CCSCCC(=O)NCCC(=O)NC 240690a_100000738227_100000230768 [0,1,0,0,0,1|2,0,0]=4 6321 B13R0.194 CCSCCC(=O)NCCC(=O)NC 527a_100000738227_100000230768 [0,1,0,0,0,1|2,0,0]=4 6322 B13R0.194 CCSCCC(=O)NCCC(=O)OC 188690a_100000683876_100000230768 [0,1,0,0,0,1|2,0,0]=4 6323 B13R0.194 CNC(=O)CCCC(=O)CCCCO 1458a_100000695505_100000741757 [0,1,0,0,0,1|2,0,0]=4 6324 B13R0.194 CNC(=O)CCCC(=O)CCCOC 1458a_100000741012_100000741757 [0,1,0,0,0,1|2,0,0]=4 6325 B13R0.194 CNC(=O)CCCC(=O)CCCSC 1458a_100000173376_100000741757 [0,1,0,0,0,1|2,0,0]=4 6326 B13R0.194 CNC(=O)CCNC(=O)CCCOC 11a_100000738227_100000741012 [0,1,0,0,0,1|2,0,0]=4 6327 B13R0.194 CNC(=O)CCNC(=O)CCCOC 240690a_100000738227_100000741012 [0,1,0,0,0,1|2,0,0]=4 6328 B13R0.194 CNC(=O)CCNC(=O)CCCOC 527a_100000738227_100000741012 [0,1,0,0,0,1|2,0,0]=4 6329 B13R0.194 CNC(=O)CCNC(=O)CCCSC 11a_100000738227_100000173376 [0,1,0,0,0,1|2,0,0]=4 6330 B13R0.194 CNC(=O)CCNC(=O)CCCSC 240690a_100000738227_100000173376 [0,1,0,0,0,1|2,0,0]=4 6331 B13R0.194 CNC(=O)CCNC(=O)CCCSC 527a_100000738227_100000173376 [0,1,0,0,0,1|2,0,0]=4 6332 B13R0.194 CNC(=O)CCNC(=O)NCCCF 2708a_100015189416_100000738227 [0,1,0,0,0,1|2,0,0]=4 6333 B13R0.194 CNC(=O)CCNC(=O)NCCCF 273464a_100000738227_100015189416 [0,1,0,0,0,1|2,0,0]=4 6334 B13R0.194 CNC(=O)CCNC(=O)NCCCF 273464a_100015189416_100000738227 [0,1,0,0,0,1|2,0,0]=4 6335 B13R0.194 CNC(=O)CCNC(=O)NCCCF 512a_100000738227_100015189416 [0,1,0,0,0,1|2,0,0]=4 6336 B13R0.194 CNC(=O)CCNC(=O)NCCCF 512a_100015189416_100000738227 [0,1,0,0,0,1|2,0,0]=4 6337 B13R0.194 CNC(=O)CCNC(=O)NCCCO 273464a_100000182051_100000738227 [0,1,0,0,0,1|2,0,0]=4 6338 B13R0.194 CNC(=O)CCNC(=O)NCCCO 273464a_100000738227_100000182051 [0,1,0,0,0,1|2,0,0]=4 6339 B13R0.194 CNC(=O)CCNC(=O)NCCCO 512a_100000738227_100000182051 [0,1,0,0,0,1|2,0,0]=4 6340 B13R0.194 CNC(=O)CCNC(=O)NCCOC 273464a_100000209980_100000738227 [0,1,0,0,0,1|2,0,0]=4 6341 B13R0.194 CNC(=O)CCNC(=O)NCCOC 273464a_100000738227_100000209980 [0,1,0,0,0,1|2,0,0]=4 6342 B13R0.194 CNC(=O)CCNC(=O)NCCSC 2708a_100020590264_100000738227 [0,1,0,0,0,1|2,0,0]=4 6343 B13R0.194 CNC(=O)CCNC(=O)NCCSC 273464a_100000738227_100020590264 [0,1,0,0,0,1|2,0,0]=4 6344 B13R0.194 CNC(=O)CCNC(=O)NCCSC 273464a_100020590264_100000738227 [0,1,0,0,0,1|2,0,0]=4 6345 B13R0.194 CNC(=O)CCNC(=O)NCCSC 512a_100000738227_100020590264 [0,1,0,0,0,1|2,0,0]=4 6346 B13R0.194 CNC(=O)CCNC(=O)NCCSC 512a_100020590264_100000738227 [0,1,0,0,0,1|2,0,0]=4 6347 B13R0.194 CNC(=O)CNCC(=O)NCCOC 2230a_100000693194_100000183275 [0,1,0,0,0,1|2,0,0]=4 6348 B13R0.194 CNC(=O)CNCC(=O)NCCOC 2230a_100000754632_100000183359 [0,1,0,0,0,1|2,0,0]=4 6349 B13R0.194 CNC(=O)CNCC(=O)OCCOC 2230a_100000693194_200000040189 [0,1,0,0,0,1|1,0,0]=3 6350 B13R0.194 CNC(=O)COCC(=O)NCCOC 34a_100000750040_100000183275 [0,1,0,0,0,1|2,0,0]=4 6351 B13R0.194 CNC(=O)COCC(=O)OCCOC 34a_100000750040_200000040189 [0,1,0,0,0,1|1,0,0]=3 6352 B13R0.194 CNC(=O)CSCC(=O)NCCOC 62a_100000183275_100000183359 [0,1,0,0,0,1|2,0,0]=4 6353 B13R0.194 CNC(=O)CSCC(=O)NCCOC 62a_100000183359_100000183275 [0,1,0,0,0,1|2,0,0]=4 6354 B13R0.194 CNC(=O)CSCC(=O)OCCOC 62a_100000183359_200000040189 [0,1,0,0,0,1|1,0,0]=3 6355 B13R0.194 CNC(=O)CSCC(=O)OCCOC 62a_200000040189_100000183359 [0,1,0,0,0,1|1,0,0]=3 6356 B13R0.194 CNC(=O)OCCC(=O)CCCCO 1458a_100000695505_200011997002 [0,1,0,0,0,1|2,0,0]=4 6357 B13R0.194 CNC(=O)OCCC(=O)CCCOC 1458a_100000741012_200011997002 [0,1,0,0,0,1|2,0,0]=4 6358 B13R0.194 CNC(=O)OCCC(=O)CCCSC 1458a_100000173376_200011997002 [0,1,0,0,0,1|2,0,0]=4 6359 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [0,1,0,0,0,1|2,0,0]=4 6360 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [0,1,0,0,0,1|2,0,0]=4 6361 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [0,1,0,0,0,1|2,0,0]=4 6362 B13R0.194 COC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011218270 [0,1,0,0,0,1|2,0,0]=4 6363 B13R0.194 COC(=O)CCCC(=O)NCCCF 11a_100015189416_100000239890 [0,1,0,0,0,1|2,0,0]=4 6364 B13R0.194 COC(=O)CCCC(=O)NCCCF 1626a_100015189416_100000239890 [0,1,0,0,0,1|2,0,0]=4 6365 B13R0.194 COC(=O)CCCC(=O)NCCCF 240690a_100015189416_100000239890 [0,1,0,0,0,1|2,0,0]=4 6366 B13R0.194 COC(=O)CCCC(=O)NCCCF 527a_100015189416_100000239890 [0,1,0,0,0,1|2,0,0]=4 6367 B13R0.194 COC(=O)CCCC(=O)NCCCO 240690a_100000182051_100000239890 [0,1,0,0,0,1|2,0,0]=4 6368 B13R0.194 COC(=O)CCCC(=O)NCCCO 527a_100000182051_100000239890 [0,1,0,0,0,1|2,0,0]=4 6369 B13R0.194 COC(=O)CCCC(=O)NCCSC 11a_100020590264_100000239890 [0,1,0,0,0,1|2,0,0]=4 6370 B13R0.194 COC(=O)CCCC(=O)NCCSC 1626a_100020590264_100000239890 [0,1,0,0,0,1|2,0,0]=4 6371 B13R0.194 COC(=O)CCCC(=O)NCCSC 240690a_100020590264_100000239890 [0,1,0,0,0,1|2,0,0]=4 6372 B13R0.194 COC(=O)CCCC(=O)NCCSC 527a_100020590264_100000239890 [0,1,0,0,0,1|2,0,0]=4 6373 B13R0.194 COC(=O)CCNC(=O)CCCCO 188690a_100000683876_100000695505 [0,1,0,0,0,1|2,0,0]=4 6374 B13R0.194 COC(=O)CCNC(=O)CCCSC 188690a_100000683876_100000173376 [0,1,0,0,0,1|2,0,0]=4 6375 B13R0.194 COC(=O)CSCC(=O)CCCCF 1458a_100000191316_100000729493 [0,1,0,0,0,1|2,0,0]=4 6376 B13R0.194 COC(=O)CSCC(=O)CCCCO 1458a_100000191316_100000210776 [0,1,0,0,0,1|2,0,0]=4 6377 B13R0.194 COC(=O)CSCC(=O)NCCCF 11a_100015189416_100000191316 [0,1,0,0,0,1|2,0,0]=4 6378 B13R0.194 COC(=O)CSCC(=O)NCCCF 1626a_100015189416_100000191316 [0,1,0,0,0,1|2,0,0]=4 6379 B13R0.194 COC(=O)CSCC(=O)NCCCF 240690a_100015189416_100000191316 [0,1,0,0,0,1|2,0,0]=4 6380 B13R0.194 COC(=O)CSCC(=O)NCCCO 240690a_100000182051_100000191316 [0,1,0,0,0,1|2,0,0]=4 6381 B13R0.194 COC(=O)CSCC(=O)NCCSC 11a_100020590264_100000191316 [0,1,0,0,0,1|2,0,0]=4 6382 B13R0.194 COC(=O)CSCC(=O)NCCSC 1626a_100020590264_100000191316 [0,1,0,0,0,1|2,0,0]=4 6383 B13R0.194 COC(=O)CSCC(=O)NCCSC 240690a_100020590264_100000191316 [0,1,0,0,0,1|2,0,0]=4 6384 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000740836 [0,1,0,0,0,1|2,0,0]=4 6385 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000741012_100011218270 [0,1,0,0,0,1|2,0,0]=4 6386 B13R0.194 COCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000740836 [0,1,0,0,0,1|2,0,0]=4 6387 B13R0.194 COCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000741012 [0,1,0,0,0,1|2,0,0]=4 6388 B13R0.194 COCCNC(=O)CCCC(=O)OC 1626a_100000209980_100000239890 [0,1,0,0,0,1|2,0,0]=4 6389 B13R0.194 COCCNC(=O)CCCC(=O)OC 240690a_100000209980_100000239890 [0,1,0,0,0,1|2,0,0]=4 6390 B13R0.194 COCCNC(=O)CCCC(=O)OC 527a_100000209980_100000239890 [0,1,0,0,0,1|2,0,0]=4 6391 B13R0.194 COCCNC(=O)CNCC(=O)OC 2230a_100000754632_100000747449 [0,1,0,0,0,1|2,0,0]=4 6392 B13R0.194 COCCNC(=O)CSCC(=O)OC 1626a_100000209980_100000191316 [0,1,0,0,0,1|2,0,0]=4 6393 B13R0.194 COCCNC(=O)CSCC(=O)OC 240690a_100000209980_100000191316 [0,1,0,0,0,1|2,0,0]=4 6394 B13R0.194 COCCNC(=O)CSCC(=O)OC 62a_100000183275_100000747449 [0,1,0,0,0,1|2,0,0]=4 6395 B13R0.194 COCCNC(=O)CSCC(=O)OC 62a_100000747449_100000183275 [0,1,0,0,0,1|2,0,0]=4 6396 B13R0.194 COCCOC(=O)CSCC(=O)OC 62a_100000747449_200000040189 [0,1,0,0,0,1|1,0,0]=3 6397 B13R0.194 COCCOC(=O)CSCC(=O)OC 62a_200000040189_100000747449 [0,1,0,0,0,1|1,0,0]=3 6398 B13R0.196 CCCCCC(=O)CCCS(=O)(=O)C 1458a_100000212188_100000754308 [0,1,0,0,0,1|2,0,0]=4 6399 B13R0.196 CCCCCC(=O)CCNS(=O)(=O)C 1458a_100000165793_100000210326 [0,1,0,0,0,1|2,0,0]=4 6400 B13R0.196 CCCCCC(=O)CCNS(=O)(=O)C 1458a_100000212188_100000754112 [0,1,0,0,0,1|2,0,0]=4 6401 B13R0.196 CCCCCC(=O)CCOS(=O)(=O)C 1458a_100000212188_200000036756 [0,1,0,0,0,1|2,0,0]=4 6402 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000212188 [0,1,0,0,0,1|2,0,0]=4 6403 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000212188 [0,1,0,0,0,1|2,0,0]=4 6404 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000212188 [0,1,0,0,0,1|2,0,0]=4 6405 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)C 527a_100000740961_100000212188 [0,1,0,0,0,1|2,0,0]=4 6406 B13R0.196 CCCCNC(=O)CCNS(=O)(=O)C 1626a_100000102301_100000165793 [0,1,0,0,0,1|2,0,0]=4 6407 B13R0.196 CCCCNC(=O)CCNS(=O)(=O)C 240690a_100000102301_100000165793 [0,1,0,0,0,1|2,0,0]=4 6408 B13R0.196 CCCCNC(=O)CCNS(=O)(=O)C 527a_100000102301_100000165793 [0,1,0,0,0,1|2,0,0]=4 6409 B13R0.196 CCCCNC(=O)NCCS(=O)(=O)C 2708a_100000102301_100000740961 [0,1,0,0,0,1|2,0,0]=4 6410 B13R0.196 CCCCNC(=O)NCCS(=O)(=O)C 2708a_100000740961_100000102301 [0,1,0,0,0,1|2,0,0]=4 6411 B13R0.196 CCCCNC(=O)NCCS(=O)(=O)C 273464a_100000102301_100000740961 [0,1,0,0,0,1|2,0,0]=4 6412 B13R0.196 CCCCNC(=O)NCCS(=O)(=O)C 273464a_100000740961_100000102301 [0,1,0,0,0,1|2,0,0]=4 6413 B13R0.196 CCCCNC(=O)NCCS(=O)(=O)C 512a_100000102301_100000740961 [0,1,0,0,0,1|2,0,0]=4 6414 B13R0.196 CCCCNC(=O)NCCS(=O)(=O)C 512a_100000740961_100000102301 [0,1,0,0,0,1|2,0,0]=4 6415 B13R0.196 CCCCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000211628 [0,1,0,0,0,1|1,0,1]=4 6416 B13R0.196 CCCCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000211628 [0,1,0,0,0,1|1,0,1]=4 6417 B13R0.196 CCCCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000211628 [0,1,0,0,0,1|0,0,2]=4 6418 B13R0.196 CCCCOC(=O)COCC(C)(C)F 34a_100000716592_100000211628 [0,1,0,0,0,1|1,0,1]=4 6419 B13R0.196 CCCCOC(=O)COCC(C)(F)F 34a_100000068830_100000211628 [0,1,0,0,0,1|1,0,1]=4 6420 B13R0.196 CCCCOC(=O)CSCC(C)(C)C 62a_100000211628_100011219605 [0,1,0,0,0,1|1,0,1]=4 6421 B13R0.196 CCCCOC(=O)CSCC(C)(C)C 62a_100011219605_100000211628 [0,1,0,0,0,1|1,0,1]=4 6422 B13R0.196 CCCCOC(=O)CSCC(C)(C)F 62a_100000211628_100011997219 [0,1,0,0,0,1|1,0,1]=4 6423 B13R0.196 CCCCOC(=O)CSCC(C)(C)F 62a_100011997219_100000211628 [0,1,0,0,0,1|1,0,1]=4 6424 B13R0.196 CCCCOC(=O)CSCC(C)(C)O 62a_100000211628_100000764493 [0,1,0,0,0,1|0,0,2]=4 6425 B13R0.196 CCCCOC(=O)CSCC(C)(C)O 62a_100000764493_100000211628 [0,1,0,0,0,1|0,0,2]=4 6426 B13R0.196 CCCCOC(=O)CSCS(=O)(=O)N 62a_100000211628_100000741382 [0,1,0,0,0,1|2,0,0]=4 6427 B13R0.196 CCCCOC(=O)CSCS(=O)(=O)N 62a_100000741382_100000211628 [0,1,0,0,0,1|2,0,0]=4 6428 B13R0.196 CCCCOC(=O)CSCS(=O)(=O)[O-] 62a_100000211628_100009817235 [0,1,0,0,0,1|2,0,0]=4 6429 B13R0.196 CCCCOC(=O)CSCS(=O)(=O)[O-] 62a_100009817235_100000211628 [0,1,0,0,0,1|2,0,0]=4 6430 B13R0.196 CCCCOC(=O)CSC[N+](C)(C)C 62a_100000211628_200000036245 [0,1,0,0,0,1|2,0,0]=4 6431 B13R0.196 CCCCOC(=O)CSC[N+](C)(C)C 62a_200000036245_100000211628 [0,1,0,0,0,1|2,0,0]=4 6432 B13R0.196 CCCCOC(=O)CSC[Si](C)(C)C 62a_100000037933_100000211628 [0,1,0,0,0,1|1,1,0]=4 6433 B13R0.196 CCCCOC(=O)CSC[Si](C)(C)C 62a_100000211628_100000037933 [0,1,0,0,0,1|1,1,0]=4 6434 B13R0.331 C=C(CCC)CC(=O)CCCC(=O)C 1458a_100000138376_100011215641 [0,1,0,0,0,1|1,0,1]=4 6435 B13R0.331 C=C(CCC)CC(=O)CCNC(=O)C 1458a_100000138376_100000189650 [0,1,0,0,0,1|1,0,1]=4 6436 B13R0.331 C=C(CCC)CC(=O)CCOC(=O)C 1458a_100000138376_100009814007 [0,1,0,0,0,1|1,0,1]=4 6437 B13R0.331 CC(=O)NCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000183196 [0,1,0,0,0,1|2,0,0]=4 6438 B13R0.331 CC(=O)NCCC(=O)N[C@H](C)CCO 527a_100000706166_100000183196 [0,1,0,0,0,1|2,0,0]=4 6439 B13R0.331 CC(=O)SCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000048949 [0,1,0,0,0,1|2,0,0]=4 6440 B13R0.331 CCCC(=CC(=O)CCCC(=O)C)C 1458a_100020676950_100011215641 [0,1,0,0,0,1|1,0,1]=4 6441 B13R0.331 CCCC(=CC(=O)CCNC(=O)C)C 1458a_100020676950_100000189650 [0,1,0,0,0,1|1,0,1]=4 6442 B13R0.331 CCCC(=CC(=O)CCOC(=O)C)C 1458a_100020676950_100009814007 [0,1,0,0,0,1|1,0,1]=4 6443 B13R0.331 CCCC(=O)CC(=O)CCNC(=O)C 1458a_100000183196_100000747444 [0,1,0,0,0,1|1,0,1]=4 6444 B13R0.331 CCCC(=O)CC(=O)CCSC(=O)C 1458a_100000048949_100000747444 [0,1,0,0,0,1|1,0,1]=4 6445 B13R0.331 CCCC(C)CC(=O)CCC=C(C)C 1458a_100000748435_100011217483 [0,1,0,0,0,1|2,0,0]=4 6446 B13R0.331 CCCC(C)CC(=O)CCCC(=O)C 1458a_100000748435_100011215641 [0,1,0,0,0,1|1,0,0]=3 6447 B13R0.331 CCCC(C)CC(=O)CCCC(=O)N 1458a_100000748435_100102525003 [0,1,0,0,0,1|2,0,0]=4 6448 B13R0.331 CCCC(C)CC(=O)CCNC(=O)C 1458a_100000183196_100011216630 [0,1,0,0,0,1|1,0,0]=3 6449 B13R0.331 CCCC(C)CC(=O)CCNC(=O)C 1458a_100000748435_100000189650 [0,1,0,0,0,1|1,0,0]=3 6450 B13R0.331 CCCC(C)CC(=O)CCNC(=O)N 1458a_100000181464_100011216630 [0,1,0,0,0,1|2,0,0]=4 6451 B13R0.331 CCCC(C)CC(=O)CCNC(=O)N 1458a_100000748435_200000034859 [0,1,0,0,0,1|2,0,0]=4 6452 B13R0.331 CCCC(C)CC(=O)CCOC(=O)C 1458a_100000748435_100009814007 [0,1,0,0,0,1|1,0,0]=3 6453 B13R0.331 CCCC(C)CC(=O)CCOC(=O)N 1458a_100000748435_200011214921 [0,1,0,0,0,1|2,0,0]=4 6454 B13R0.331 CCCC(C)CC(=O)CCSC(=O)C 1458a_100000048949_100011216630 [0,1,0,0,0,1|1,0,0]=3 6455 B13R0.331 CCCC(C)CC(=O)COCC(=O)N 1458a_100011219004_100011216630 [0,1,0,0,0,1|2,0,0]=4 6456 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 11a_100000740010_100000748435 [0,1,0,0,0,1|2,0,0]=4 6457 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 240690a_100000740010_100000748435 [0,1,0,0,0,1|2,0,0]=4 6458 B13R0.331 CCCC(C)CC(=O)NCCC(=O)N 527a_100000740010_100000748435 [0,1,0,0,0,1|2,0,0]=4 6459 B13R0.331 CCCC(C)NC(=O)CCNC(=O)C 11a_100000741246_100000183196 [0,1,0,0,0,1|1,0,0]=3 6460 B13R0.331 CCCC(C)NC(=O)CCNC(=O)C 1626a_100000741246_100000183196 [0,1,0,0,0,1|1,0,0]=3 6461 B13R0.331 CCCC(C)NC(=O)CCNC(=O)C 240690a_100000741246_100000183196 [0,1,0,0,0,1|1,0,0]=3 6462 B13R0.331 CCCC(C)NC(=O)CCNC(=O)C 527a_100000741246_100000183196 [0,1,0,0,0,1|1,0,0]=3 6463 B13R0.331 CCCC(C)NC(=O)CCNC(=O)N 240690a_100000741246_100000181464 [0,1,0,0,0,1|2,0,0]=4 6464 B13R0.331 CCCC(C)NC(=O)CCNC(=O)N 527a_100000741246_100000181464 [0,1,0,0,0,1|2,0,0]=4 6465 B13R0.331 CCCC(C)NC(=O)CCSC(=O)C 1626a_100000741246_100000048949 [0,1,0,0,0,1|1,0,0]=3 6466 B13R0.331 CCCC(C)NC(=O)CCSC(=O)C 240690a_100000741246_100000048949 [0,1,0,0,0,1|1,0,0]=3 6467 B13R0.331 CCCC(C)NC(=O)COCC(=O)N 1626a_100000741246_100011219004 [0,1,0,0,0,1|2,0,0]=4 6468 B13R0.331 CCCC(C)NC(=O)COCC(=O)N 240690a_100000741246_100011219004 [0,1,0,0,0,1|2,0,0]=4 6469 B13R0.331 CCCC(C)NC(=O)COCC(=O)N 527a_100000741246_100011219004 [0,1,0,0,0,1|2,0,0]=4 6470 B13R0.331 CCCC(C)NC(=O)CSCC(=O)N 11a_100000741246_100000150265 [0,1,0,0,0,1|2,0,0]=4 6471 B13R0.331 CCCC(C)NC(=O)CSCC(=O)N 240690a_100000741246_100000150265 [0,1,0,0,0,1|2,0,0]=4 6472 B13R0.331 CCCC(C)NC(=O)CSCC(=O)N 527a_100000741246_100000150265 [0,1,0,0,0,1|2,0,0]=4 6473 B13R0.331 CCCC(C)NC(=O)NCCC(=O)N 2708a_100000741246_100000740010 [0,1,0,0,0,1|2,0,0]=4 6474 B13R0.331 CCCC(C)NC(=O)NCCC(=O)N 273464a_100000741246_100000740010 [0,1,0,0,0,1|2,0,0]=4 6475 B13R0.331 CCCC(C)NC(=O)NCCC(=O)N 512a_100000741246_100000740010 [0,1,0,0,0,1|2,0,0]=4 6476 B13R0.331 CCCS(=O)CC(=O)CCCC(=O)C 1458a_100011387404_100011215641 [0,1,0,0,0,1|2,0,0]=4 6477 B13R0.331 CCCS(=O)CC(=O)CCNC(=O)C 1458a_100011387404_100000189650 [0,1,0,0,0,1|2,0,0]=4 6478 B13R0.331 CCCS(=O)CC(=O)CCOC(=O)C 1458a_100011387404_100009814007 [0,1,0,0,0,1|2,0,0]=4 6479 B13R0.331 CCSC(C)CC(=O)CCCC(=O)C 1458a_200011311441_100011215641 [0,1,0,0,0,1|2,0,0]=4 6480 B13R0.331 CCSC(C)CC(=O)CCNC(=O)C 1458a_200011311441_100000189650 [0,1,0,0,0,1|2,0,0]=4 6481 B13R0.331 CCSC(C)CC(=O)CCOC(=O)C 1458a_200011311441_100009814007 [0,1,0,0,0,1|2,0,0]=4 6482 B13R0.331 COC[C@@H](C)NC(=O)CCNC(=O)C 11a_100000764878_100000183196 [0,1,0,0,0,1|2,0,0]=4 6483 B13R0.331 COC[C@@H](C)NC(=O)CCNC(=O)C 1626a_100000764878_100000183196 [0,1,0,0,0,1|2,0,0]=4 6484 B13R0.331 COC[C@@H](C)NC(=O)CCNC(=O)C 240690a_100000764878_100000183196 [0,1,0,0,0,1|2,0,0]=4 6485 B13R0.331 COC[C@@H](C)NC(=O)CCNC(=O)C 527a_100000764878_100000183196 [0,1,0,0,0,1|2,0,0]=4 6486 B13R0.331 COC[C@@H](C)NC(=O)CCSC(=O)C 1626a_100000764878_100000048949 [0,1,0,0,0,1|2,0,0]=4 6487 B13R0.331 COC[C@@H](C)NC(=O)CCSC(=O)C 240690a_100000764878_100000048949 [0,1,0,0,0,1|2,0,0]=4 6488 B13R0.333 C=C(C)CN(C)CC(=O)CCCCC 2230a_100000225649_200012276598 [0,1,0,0,0,1|2,0,0]=4 6489 B13R0.333 C=C(C)CN(C)CC(=O)CCCCC 269982a_100000225649_200012276598 [0,1,0,0,0,1|2,0,0]=4 6490 B13R0.333 C=C(C)CN(C)CC(=O)NCCCC 2230a_100000225649_100000182744 [0,1,0,0,0,1|2,0,0]=4 6491 B13R0.333 C=C(C)CN(C)CC(=O)NCCCC 2230a_200000213093_100000748629 [0,1,0,0,0,1|2,0,0]=4 6492 B13R0.333 C=C(C)CN(C)CC(=O)NCCCC 269982a_100000225649_100000182744 [0,1,0,0,0,1|2,0,0]=4 6493 B13R0.333 C=C(C)CN(C)CC(=O)NCCCC 269982a_200000213093_100000748629 [0,1,0,0,0,1|2,0,0]=4 6494 B13R0.333 C=C(C)CN(C)CC(=O)OCCCC 2230a_100000225649_100000211628 [0,1,0,0,0,1|1,0,0]=3 6495 B13R0.333 C=C(C)CN(C)CC(=O)OCCCC 269982a_100000225649_100000211628 [0,1,0,0,0,1|1,0,0]=3 6496 B13R0.333 C=C(C)CN(C)CC(=O)OCCOC 2230a_100000225649_200000040189 [0,1,0,0,0,1|2,0,0]=4 6497 B13R0.333 C=C(C)CN(C)CC(=O)OCCOC 269982a_100000225649_200000040189 [0,1,0,0,0,1|2,0,0]=4 6498 B13R0.333 CCCCCC(=O)CC(=O)CC(=O)N 1458a_100134613110_200012276598 [0,1,0,0,0,1|2,0,0]=4 6499 B13R0.333 CCCCCC(=O)CC(=O)NC(=O)C 1458a_100000212188_100000183797 [0,1,0,0,0,1|1,0,1]=4 6500 B13R0.333 CCCCCC(=O)CN(C)CC(=O)N 2230a_100000739694_200012276598 [0,1,0,0,0,1|2,0,0]=4 6501 B13R0.333 CCCCCC(=O)CN(C)CC(=O)O 269956a_100000746989_200012276598 [0,1,0,0,0,1|2,0,0]=4 6502 B13R0.333 CCCCNC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000182744 [0,1,0,0,0,1|2,0,0]=4 6503 B13R0.333 CCCCNC(=O)CN(C)CC(=O)N 2230a_100000739694_100000182744 [0,1,0,0,0,1|2,0,0]=4 6504 B13R0.333 CCCCNC(=O)CN(C)CC(=O)N 2230a_200000213093_100000747473 [0,1,0,0,0,1|2,0,0]=4 6505 B13R0.333 CCCCNC(=O)CN(C)CC(=O)N 269982a_200000213093_100000187820 [0,1,0,0,0,1|2,0,0]=4 6506 B13R0.333 CCCCNC(=O)CN(C)CC(=O)O 269956a_100000746989_100000182744 [0,1,0,0,0,1|2,0,0]=4 6507 B13R0.333 CCCCNC(=O)CN(C)CC(=O)[O-] 269982a_200000213093_100020667443 [0,1,0,0,0,1|2,0,0]=4 6508 B13R0.333 CCCCNC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000209831 [0,1,0,0,0,1|1,0,1]=4 6509 B13R0.333 CCCCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000211628 [0,1,0,0,0,1|1,0,1]=4 6510 B13R0.333 CCCCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000211628 [0,1,0,0,0,1|1,0,1]=4 6511 B13R0.333 CCCCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000211628 [0,1,0,0,0,1|1,0,1]=4 6512 B13R0.333 CCCCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000211628 [0,1,0,0,0,1|1,0,0]=3 6513 B13R0.333 CCCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000211628 [0,1,0,0,0,1|1,0,1]=4 6514 B13R0.333 CCCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000211628 [0,1,0,0,0,1|2,0,0]=4 6515 B13R0.333 CCCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000211628 [0,1,0,0,0,1|0,0,2]=4 6516 B13R0.333 CCCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000211628 [0,1,0,0,0,1|2,0,0]=4 6517 B13R0.333 CCCCOC(=O)CN(C)CC(=O)N 2230a_100000739694_100000211628 [0,1,0,0,0,1|1,0,0]=3 6518 B13R0.333 CCCCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000211628 [0,1,0,0,0,1|1,0,0]=3 6519 B13R0.333 CCCCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000211628 [0,1,0,0,0,1|1,0,1]=4 6520 B13R0.333 CCCCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000211628 [0,1,0,0,0,1|1,0,1]=4 6521 B13R0.333 CCCCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000211628 [0,1,0,0,0,1|0,0,2]=4 6522 B13R0.333 CCCCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000211628 [0,1,0,0,0,1|0,0,2]=4 6523 B13R0.333 COCCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_200000040189 [0,1,0,0,0,1|2,0,0]=4 6524 B13R0.333 COCCOC(=O)CN(C)CC(=O)N 2230a_100000739694_200000040189 [0,1,0,0,0,1|2,0,0]=4 6525 B13R0.333 COCCOC(=O)CN(C)CC(=O)O 269956a_100000746989_200000040189 [0,1,0,0,0,1|2,0,0]=4 6526 B13R0.339 CC(=O)N(C)CCC(=O)CCCCF 1458a_100011216537_100000729493 [0,1,0,0,0,1|2,0,0]=4 6527 B13R0.339 CC(=O)N(C)CCC(=O)CCCCO 1458a_100011216537_100000210776 [0,1,0,0,0,1|2,0,0]=4 6528 B13R0.339 CC(=O)N(C)CCC(=O)NCCCF 11a_100015189416_100011216537 [0,1,0,0,0,1|2,0,0]=4 6529 B13R0.339 CC(=O)N(C)CCC(=O)NCCCF 1626a_100015189416_100011216537 [0,1,0,0,0,1|2,0,0]=4 6530 B13R0.339 CC(=O)N(C)CCC(=O)NCCCF 240690a_100015189416_100011216537 [0,1,0,0,0,1|2,0,0]=4 6531 B13R0.339 CC(=O)N(C)CCC(=O)NCCCO 240690a_100000182051_100011216537 [0,1,0,0,0,1|2,0,0]=4 6532 B13R0.339 CCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210326 [0,1,0,0,0,1|1,0,0]=3 6533 B13R0.339 CCCCCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200012276598 [0,1,0,0,0,1|2,0,0]=4 6534 B13R0.339 CCCCCC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_200012276598 [0,1,0,0,0,1|2,0,0]=4 6535 B13R0.339 CCCCCC(=O)CN[C@H](C)C(=O)N 34a_100000119354_200012276598 [0,1,0,0,0,1|2,0,0]=4 6536 B13R0.339 CCCCCC(=O)COC(C)C(=O)C 34a_100000212229_200012276598 [0,1,0,0,0,1|1,0,0]=3 6537 B13R0.339 CCCCCC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_200012276598 [0,1,0,0,0,1|2,0,0]=4 6538 B13R0.339 CCCCCC(=O)CO[C@H](C)C(=O)N 34a_100000731257_200012276598 [0,1,0,0,0,1|2,0,0]=4 6539 B13R0.339 CCCCCC(=O)CO[C@H](C)C(=O)N 7a_100000731257_200012276598 [0,1,0,0,0,1|2,0,0]=4 6540 B13R0.339 CCCCCC(=O)CSC(C)C(=O)C 62a_100009814033_200012276598 [0,1,0,0,0,1|1,0,0]=3 6541 B13R0.339 CCCCCC(=O)CSC(C)C(=O)C 62a_200012276598_100009814033 [0,1,0,0,0,1|1,0,0]=3 6542 B13R0.339 CCCCCC(=O)CSC(C)C(=O)N 62a_100000702099_200012276598 [0,1,0,0,0,1|2,0,0]=4 6543 B13R0.339 CCCCCC(=O)CSC(C)C(=O)N 62a_200012276598_100000702099 [0,1,0,0,0,1|2,0,0]=4 6544 B13R0.339 CCCCCC(=O)CSC(F)C(=O)N 62a_100009813875_200012276598 [0,1,0,0,0,1|2,0,0]=4 6545 B13R0.339 CCCCCC(=O)CSC(F)C(=O)N 62a_200012276598_100009813875 [0,1,0,0,0,1|2,0,0]=4 6546 B13R0.339 CCCCCC(=O)CSC(F)C(=O)[O-] 62a_100020610796_200012276598 [0,1,0,0,0,1|2,0,0]=4 6547 B13R0.339 CCCCCC(=O)CSC(F)C(=O)[O-] 62a_200012276598_100020610796 [0,1,0,0,0,1|2,0,0]=4 6548 B13R0.339 CCCCNC(=O)CCN(C)C(=O)C 11a_100000102301_100011216537 [0,1,0,0,0,1|1,0,0]=3 6549 B13R0.339 CCCCNC(=O)CCN(C)C(=O)C 1626a_100000102301_100011216537 [0,1,0,0,0,1|1,0,0]=3 6550 B13R0.339 CCCCNC(=O)CCN(C)C(=O)C 240690a_100000102301_100011216537 [0,1,0,0,0,1|1,0,0]=3 6551 B13R0.339 CCCCNC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000182744 [0,1,0,0,0,1|2,0,0]=4 6552 B13R0.339 CCCCNC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000182744 [0,1,0,0,0,1|2,0,0]=4 6553 B13R0.339 CCCCNC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000182744 [0,1,0,0,0,1|2,0,0]=4 6554 B13R0.339 CCCCNC(=O)COC(C)C(=O)C 34a_100000212229_100000182744 [0,1,0,0,0,1|1,0,0]=3 6555 B13R0.339 CCCCNC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000182744 [0,1,0,0,0,1|2,0,0]=4 6556 B13R0.339 CCCCNC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000182744 [0,1,0,0,0,1|2,0,0]=4 6557 B13R0.339 CCCCNC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000182744 [0,1,0,0,0,1|2,0,0]=4 6558 B13R0.339 CCCCNC(=O)CSC(C)C(=O)C 62a_100000182744_100009814033 [0,1,0,0,0,1|1,0,0]=3 6559 B13R0.339 CCCCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000182744 [0,1,0,0,0,1|1,0,0]=3 6560 B13R0.339 CCCCNC(=O)CSC(C)C(=O)N 62a_100000182744_100000702099 [0,1,0,0,0,1|2,0,0]=4 6561 B13R0.339 CCCCNC(=O)CSC(C)C(=O)N 62a_100000702099_100000182744 [0,1,0,0,0,1|2,0,0]=4 6562 B13R0.339 CCCCNC(=O)CSC(F)C(=O)N 62a_100000182744_100009813875 [0,1,0,0,0,1|2,0,0]=4 6563 B13R0.339 CCCCNC(=O)CSC(F)C(=O)N 62a_100009813875_100000182744 [0,1,0,0,0,1|2,0,0]=4 6564 B13R0.339 CCCCNC(=O)CSC(F)C(=O)[O-] 62a_100000182744_100020610796 [0,1,0,0,0,1|2,0,0]=4 6565 B13R0.339 CCCCNC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000182744 [0,1,0,0,0,1|2,0,0]=4 6566 B13R0.339 CCCCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000211628 [0,1,0,0,0,1|1,0,1]=4 6567 B13R0.339 CCCCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000211628 [0,1,0,0,0,1|1,0,0]=3 6568 B13R0.339 CCCCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000211628 [0,1,0,0,0,1|1,0,0]=3 6569 B13R0.339 CCCCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000211628 [0,1,0,0,0,1|1,0,0]=3 6570 B13R0.339 CCCCOC(=O)COC(C)C(=O)C 34a_100000212229_100000211628 [0,1,0,0,0,1|0,0,0]=2 6571 B13R0.339 CCCCOC(=O)COC(C)C(C)C 7a_100000748068_100000211628 [0,1,0,0,0,1|1,0,1]=4 6572 B13R0.339 CCCCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211628 [0,1,0,0,0,1|1,0,0]=3 6573 B13R0.339 CCCCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000211628 [0,1,0,0,0,1|1,0,0]=3 6574 B13R0.339 CCCCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000211628 [0,1,0,0,0,1|1,0,0]=3 6575 B13R0.339 CCCCOC(=O)CSC(C)C(=O)C 62a_100000211628_100009814033 [0,1,0,0,0,1|0,0,0]=2 6576 B13R0.339 CCCCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000211628 [0,1,0,0,0,1|0,0,0]=2 6577 B13R0.339 CCCCOC(=O)CSC(C)C(=O)N 62a_100000211628_100000702099 [0,1,0,0,0,1|1,0,0]=3 6578 B13R0.339 CCCCOC(=O)CSC(C)C(=O)N 62a_100000702099_100000211628 [0,1,0,0,0,1|1,0,0]=3 6579 B13R0.339 CCCCOC(=O)CSC(F)C(=O)N 62a_100000211628_100009813875 [0,1,0,0,0,1|1,0,0]=3 6580 B13R0.339 CCCCOC(=O)CSC(F)C(=O)N 62a_100009813875_100000211628 [0,1,0,0,0,1|1,0,0]=3 6581 B13R0.339 CCCCOC(=O)CSC(F)C(=O)[O-] 62a_100000211628_100020610796 [0,1,0,0,0,1|1,0,0]=3 6582 B13R0.339 CCCCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000211628 [0,1,0,0,0,1|1,0,0]=3 6583 B13R0.339 CCCNNC(=O)CCN(C)C(=O)C 22a_100000740057_100011216537 [0,1,0,0,0,1|2,0,0]=4 6584 B13R0.339 CCOCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100011215890 [0,1,0,0,0,1|2,0,0]=4 6585 B13R0.339 CCSCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000757381 [0,1,0,0,0,1|2,0,0]=4 6586 B13R0.339 COCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000740836 [0,1,0,0,0,1|2,0,0]=4 6587 B13R0.339 COCCNC(=O)CCN(C)C(=O)C 1626a_100000209980_100011216537 [0,1,0,0,0,1|2,0,0]=4 6588 B13R0.339 COCCNC(=O)CCN(C)C(=O)C 240690a_100000209980_100011216537 [0,1,0,0,0,1|2,0,0]=4 6589 B13R0.339 COCCNC(=O)CNC(C)C(=O)C 2230a_100000754632_100009814033 [0,1,0,0,0,1|2,0,0]=4 6590 B13R0.339 COCCNC(=O)COC(C)C(=O)C 34a_100000212229_100000183275 [0,1,0,0,0,1|2,0,0]=4 6591 B13R0.339 COCCNC(=O)CSC(C)C(=O)C 62a_100000183275_100009814033 [0,1,0,0,0,1|2,0,0]=4 6592 B13R0.339 COCCNC(=O)CSC(C)C(=O)C 62a_100009814033_100000183275 [0,1,0,0,0,1|2,0,0]=4 6593 B13R0.339 COCCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_200000040189 [0,1,0,0,0,1|2,0,0]=4 6594 B13R0.339 COCCOC(=O)CN[C@H](C)C(=O)N 2230a_100000119354_200000040189 [0,1,0,0,0,1|2,0,0]=4 6595 B13R0.339 COCCOC(=O)CN[C@H](C)C(=O)N 34a_100000119354_200000040189 [0,1,0,0,0,1|2,0,0]=4 6596 B13R0.339 COCCOC(=O)COC(C)C(=O)C 34a_100000212229_200000040189 [0,1,0,0,0,1|1,0,0]=3 6597 B13R0.339 COCCOC(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000040189 [0,1,0,0,0,1|2,0,0]=4 6598 B13R0.339 COCCOC(=O)CO[C@H](C)C(=O)N 34a_100000731257_200000040189 [0,1,0,0,0,1|2,0,0]=4 6599 B13R0.339 COCCOC(=O)CO[C@H](C)C(=O)N 7a_100000731257_200000040189 [0,1,0,0,0,1|2,0,0]=4 6600 B13R0.339 COCCOC(=O)CSC(C)C(=O)C 62a_100009814033_200000040189 [0,1,0,0,0,1|1,0,0]=3 6601 B13R0.339 COCCOC(=O)CSC(C)C(=O)C 62a_200000040189_100009814033 [0,1,0,0,0,1|1,0,0]=3 6602 B13R0.339 COCCOC(=O)CSC(C)C(=O)N 62a_100000702099_200000040189 [0,1,0,0,0,1|2,0,0]=4 6603 B13R0.339 COCCOC(=O)CSC(C)C(=O)N 62a_200000040189_100000702099 [0,1,0,0,0,1|2,0,0]=4 6604 B13R0.339 COCCOC(=O)CSC(F)C(=O)N 62a_100009813875_200000040189 [0,1,0,0,0,1|2,0,0]=4 6605 B13R0.339 COCCOC(=O)CSC(F)C(=O)N 62a_200000040189_100009813875 [0,1,0,0,0,1|2,0,0]=4 6606 B13R0.339 COCCOC(=O)CSC(F)C(=O)[O-] 62a_100020610796_200000040189 [0,1,0,0,0,1|2,0,0]=4 6607 B13R0.339 COCCOC(=O)CSC(F)C(=O)[O-] 62a_200000040189_100020610796 [0,1,0,0,0,1|2,0,0]=4 6608 B13R0.339 CSCCNC(=O)CCN(C)C(=O)C 11a_100020590264_100011216537 [0,1,0,0,0,1|2,0,0]=4 6609 B13R0.339 CSCCNC(=O)CCN(C)C(=O)C 1626a_100020590264_100011216537 [0,1,0,0,0,1|2,0,0]=4 6610 B13R0.339 CSCCNC(=O)CCN(C)C(=O)C 240690a_100020590264_100011216537 [0,1,0,0,0,1|2,0,0]=4 6611 B13R0.345 C=C(C)COCC(=O)N(C)CCCC 34a_100000210245_100000230175 [0,1,0,0,0,1|2,0,0]=4 6612 B13R0.345 C=C(C)CSCC(=O)N(C)CCCC 62a_100000230175_100000211660 [0,1,0,0,0,1|2,0,0]=4 6613 B13R0.345 C=C(C)CSCC(=O)N(C)CCCC 62a_100000748629_100000230175 [0,1,0,0,0,1|2,0,0]=4 6614 B13R0.345 CC(=O)NCCC(=O)N(C)CCCO 240690a_100000213112_100000183196 [0,1,0,0,0,1|2,0,0]=4 6615 B13R0.345 CC(=O)NCCC(=O)N(C)CCCO 527a_100000213112_100000183196 [0,1,0,0,0,1|2,0,0]=4 6616 B13R0.345 CC(=O)SCCC(=O)N(C)CCCO 240690a_100000213112_100000048949 [0,1,0,0,0,1|2,0,0]=4 6617 B13R0.345 CCC/C=C(\C)/C(=O)CCCC(=O)C 1458a_200020648666_100011215641 [0,1,0,0,0,1|1,0,1]=4 6618 B13R0.345 CCC/C=C(\C)/C(=O)CCNC(=O)C 1458a_200020648666_100000189650 [0,1,0,0,0,1|1,0,1]=4 6619 B13R0.345 CCC/C=C(\C)/C(=O)CCOC(=O)C 1458a_200020648666_100009814007 [0,1,0,0,0,1|1,0,1]=4 6620 B13R0.345 CCCCC(C)C(=O)CCC=C(C)C 1458a_100000725509_100011217483 [0,1,0,0,0,1|2,0,0]=4 6621 B13R0.345 CCCCC(C)C(=O)CCCC(=O)C 1458a_100000725509_100011215641 [0,1,0,0,0,1|1,0,0]=3 6622 B13R0.345 CCCCC(C)C(=O)CCCC(=O)N 1458a_100000725509_100102525003 [0,1,0,0,0,1|2,0,0]=4 6623 B13R0.345 CCCCC(C)C(=O)CCNC(=O)C 1458a_100000183196_200011215066 [0,1,0,0,0,1|1,0,0]=3 6624 B13R0.345 CCCCC(C)C(=O)CCNC(=O)C 1458a_100000725509_100000189650 [0,1,0,0,0,1|1,0,0]=3 6625 B13R0.345 CCCCC(C)C(=O)CCNC(=O)N 1458a_100000181464_200011215066 [0,1,0,0,0,1|2,0,0]=4 6626 B13R0.345 CCCCC(C)C(=O)CCNC(=O)N 1458a_100000725509_200000034859 [0,1,0,0,0,1|2,0,0]=4 6627 B13R0.345 CCCCC(C)C(=O)CCOC(=O)C 1458a_100000725509_100009814007 [0,1,0,0,0,1|1,0,0]=3 6628 B13R0.345 CCCCC(C)C(=O)CCOC(=O)N 1458a_100000725509_200011214921 [0,1,0,0,0,1|2,0,0]=4 6629 B13R0.345 CCCCC(C)C(=O)CCSC(=O)C 1458a_100000048949_200011215066 [0,1,0,0,0,1|1,0,0]=3 6630 B13R0.345 CCCCC(C)C(=O)COCC(=O)N 1458a_100011219004_200011215066 [0,1,0,0,0,1|2,0,0]=4 6631 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 11a_100000740010_100000725509 [0,1,0,0,0,1|2,0,0]=4 6632 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 240690a_100000740010_100000725509 [0,1,0,0,0,1|2,0,0]=4 6633 B13R0.345 CCCCC(C)C(=O)NCCC(=O)N 527a_100000740010_100000725509 [0,1,0,0,0,1|2,0,0]=4 6634 B13R0.345 CCCCC(O)C(=O)CCC=C(C)C 1458a_100000720857_100011217483 [0,1,0,0,0,1|2,0,0]=4 6635 B13R0.345 CCCCC(O)C(=O)CCCC(=O)C 1458a_100000720857_100011215641 [0,1,0,0,0,1|1,0,0]=3 6636 B13R0.345 CCCCC(O)C(=O)CCCC(=O)N 1458a_100000720857_100102525003 [0,1,0,0,0,1|2,0,0]=4 6637 B13R0.345 CCCCC(O)C(=O)CCNC(=O)C 1458a_100000720857_100000189650 [0,1,0,0,0,1|1,0,0]=3 6638 B13R0.345 CCCCC(O)C(=O)CCNC(=O)N 1458a_100000720857_200000034859 [0,1,0,0,0,1|2,0,0]=4 6639 B13R0.345 CCCCC(O)C(=O)CCOC(=O)C 1458a_100000720857_100009814007 [0,1,0,0,0,1|1,0,0]=3 6640 B13R0.345 CCCCC(O)C(=O)CCOC(=O)N 1458a_100000720857_200011214921 [0,1,0,0,0,1|2,0,0]=4 6641 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N 240690a_100000740010_100000720857 [0,1,0,0,0,1|2,0,0]=4 6642 B13R0.345 CCCCC(O)C(=O)NCCC(=O)N 527a_100000740010_100000720857 [0,1,0,0,0,1|2,0,0]=4 6643 B13R0.345 CCCCN(C)C(=O)CCNC(=O)C 11a_100000207549_100000183196 [0,1,0,0,0,1|1,0,0]=3 6644 B13R0.345 CCCCN(C)C(=O)CCNC(=O)C 1626a_100000207549_100000183196 [0,1,0,0,0,1|1,0,0]=3 6645 B13R0.345 CCCCN(C)C(=O)CCNC(=O)C 240690a_100000207549_100000183196 [0,1,0,0,0,1|1,0,0]=3 6646 B13R0.345 CCCCN(C)C(=O)CCNC(=O)C 527a_100000207549_100000183196 [0,1,0,0,0,1|1,0,0]=3 6647 B13R0.345 CCCCN(C)C(=O)CCNC(=O)N 240690a_100000207549_100000181464 [0,1,0,0,0,1|2,0,0]=4 6648 B13R0.345 CCCCN(C)C(=O)CCNC(=O)N 527a_100000207549_100000181464 [0,1,0,0,0,1|2,0,0]=4 6649 B13R0.345 CCCCN(C)C(=O)CCSC(=O)C 1626a_100000207549_100000048949 [0,1,0,0,0,1|1,0,0]=3 6650 B13R0.345 CCCCN(C)C(=O)CCSC(=O)C 240690a_100000207549_100000048949 [0,1,0,0,0,1|1,0,0]=3 6651 B13R0.345 CCCCN(C)C(=O)CNCC(=O)N 2230a_100000711301_100000230175 [0,1,0,0,0,1|2,0,0]=4 6652 B13R0.345 CCCCN(C)C(=O)CNCC(=O)O 269956a_100016091260_100000230175 [0,1,0,0,0,1|2,0,0]=4 6653 B13R0.345 CCCCN(C)C(=O)COCC(=O)C 34a_100000211253_100000230175 [0,1,0,0,0,1|1,0,0]=3 6654 B13R0.345 CCCCN(C)C(=O)COCC(=O)N 1626a_100000207549_100011219004 [0,1,0,0,0,1|2,0,0]=4 6655 B13R0.345 CCCCN(C)C(=O)COCC(=O)N 240690a_100000207549_100011219004 [0,1,0,0,0,1|2,0,0]=4 6656 B13R0.345 CCCCN(C)C(=O)COCC(=O)N 527a_100000207549_100011219004 [0,1,0,0,0,1|2,0,0]=4 6657 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 11a_100000207549_100000150265 [0,1,0,0,0,1|2,0,0]=4 6658 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 240690a_100000207549_100000150265 [0,1,0,0,0,1|2,0,0]=4 6659 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 527a_100000207549_100000150265 [0,1,0,0,0,1|2,0,0]=4 6660 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 62a_100000230175_100000747473 [0,1,0,0,0,1|2,0,0]=4 6661 B13R0.345 CCCCN(C)C(=O)CSCC(=O)N 62a_100000747473_100000230175 [0,1,0,0,0,1|2,0,0]=4 6662 B13R0.345 CCCCN(C)C(=O)CSCC(=O)[O-] 62a_100000230175_100020667443 [0,1,0,0,0,1|2,0,0]=4 6663 B13R0.345 CCCCN(C)C(=O)CSCC(=O)[O-] 62a_100020667443_100000230175 [0,1,0,0,0,1|2,0,0]=4 6664 B13R0.345 CCCCN(C)C(=O)NCCC(=O)N 273464a_100000740010_100000207549 [0,1,0,0,0,1|2,0,0]=4 6665 B13R0.345 CCCNC(=O)C(=O)CCCC(=O)C 1458a_200011297150_100011215641 [0,1,0,0,0,1|2,0,0]=4 6666 B13R0.345 CCCNC(=O)C(=O)CCNC(=O)C 1458a_200011297150_100000189650 [0,1,0,0,0,1|2,0,0]=4 6667 B13R0.345 CCCNC(=O)C(=O)CCOC(=O)C 1458a_200011297150_100009814007 [0,1,0,0,0,1|2,0,0]=4 6668 B13R0.345 COCCN(C)C(=O)CCNC(=O)C 11a_100000743101_100000183196 [0,1,0,0,0,1|2,0,0]=4 6669 B13R0.345 COCCN(C)C(=O)CCNC(=O)C 1626a_100000743101_100000183196 [0,1,0,0,0,1|2,0,0]=4 6670 B13R0.345 COCCN(C)C(=O)CCNC(=O)C 240690a_100000743101_100000183196 [0,1,0,0,0,1|2,0,0]=4 6671 B13R0.345 COCCN(C)C(=O)CCNC(=O)C 527a_100000743101_100000183196 [0,1,0,0,0,1|2,0,0]=4 6672 B13R0.345 COCCN(C)C(=O)CCSC(=O)C 1626a_100000743101_100000048949 [0,1,0,0,0,1|2,0,0]=4 6673 B13R0.345 COCCN(C)C(=O)CCSC(=O)C 240690a_100000743101_100000048949 [0,1,0,0,0,1|2,0,0]=4 6674 B13R0.345 CSCCC(O)C(=O)CCCC(=O)C 1458a_100000685904_100011215641 [0,1,0,0,0,1|2,0,0]=4 6675 B13R0.345 CSCCC(O)C(=O)CCNC(=O)C 1458a_100000685904_100000189650 [0,1,0,0,0,1|2,0,0]=4 6676 B13R0.345 CSCCC(O)C(=O)CCOC(=O)C 1458a_100000685904_100009814007 [0,1,0,0,0,1|2,0,0]=4 6677 B13R0.345 CSCCN(C)C(=O)CCNC(=O)C 11a_100000686725_100000183196 [0,1,0,0,0,1|2,0,0]=4 6678 B13R0.345 CSCCN(C)C(=O)CCNC(=O)C 1626a_100000686725_100000183196 [0,1,0,0,0,1|2,0,0]=4 6679 B13R0.345 CSCCN(C)C(=O)CCNC(=O)C 240690a_100000686725_100000183196 [0,1,0,0,0,1|2,0,0]=4 6680 B13R0.345 CSCCN(C)C(=O)CCNC(=O)C 527a_100000686725_100000183196 [0,1,0,0,0,1|2,0,0]=4 6681 B13R0.345 CSCCN(C)C(=O)CCSC(=O)C 1626a_100000686725_100000048949 [0,1,0,0,0,1|2,0,0]=4 6682 B13R0.345 CSCCN(C)C(=O)CCSC(=O)C 240690a_100000686725_100000048949 [0,1,0,0,0,1|2,0,0]=4 6683 B13R0.493 CC(=O)COCC(=O)NCC(O)CO 34a_100000211253_200012027429 [0,1,0,0,0,1|2,0,0]=4 6684 B13R0.493 CC(=O)NCCC(=O)NCC(C)CO 240690a_100000744482_100000183196 [0,1,0,0,0,1|2,0,0]=4 6685 B13R0.493 CC(=O)NCCC(=O)NCC(C)CO 527a_100000744482_100000183196 [0,1,0,0,0,1|2,0,0]=4 6686 B13R0.493 CC(=O)NCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000183196 [0,1,0,0,0,1|2,0,0]=4 6687 B13R0.493 CC(=O)NCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000183196 [0,1,0,0,0,1|2,0,0]=4 6688 B13R0.493 CC(=O)NCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000183196 [0,1,0,0,0,1|2,0,0]=4 6689 B13R0.493 CC(=O)NCCC(=O)NC[C@H](O)CO 527a_100020644852_100000183196 [0,1,0,0,0,1|2,0,0]=4 6690 B13R0.493 CC(=O)SCCC(=O)NCC(C)CO 240690a_100000744482_100000048949 [0,1,0,0,0,1|2,0,0]=4 6691 B13R0.493 CC(=O)SCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000048949 [0,1,0,0,0,1|2,0,0]=4 6692 B13R0.493 CC(=O)SCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000048949 [0,1,0,0,0,1|2,0,0]=4 6693 B13R0.493 CCC(C)CCC(=O)CCC=C(C)C 1458a_100000701222_100011217483 [0,1,0,0,0,1|2,0,0]=4 6694 B13R0.493 CCC(C)CCC(=O)CCCC(=O)C 1458a_100000701222_100011215641 [0,1,0,0,0,1|1,0,0]=3 6695 B13R0.493 CCC(C)CCC(=O)CCCC(=O)N 1458a_100000701222_100102525003 [0,1,0,0,0,1|2,0,0]=4 6696 B13R0.493 CCC(C)CCC(=O)CCNC(=O)C 1458a_100000701222_100000189650 [0,1,0,0,0,1|1,0,0]=3 6697 B13R0.493 CCC(C)CCC(=O)CCNC(=O)N 1458a_100000701222_200000034859 [0,1,0,0,0,1|2,0,0]=4 6698 B13R0.493 CCC(C)CCC(=O)CCOC(=O)C 1458a_100000701222_100009814007 [0,1,0,0,0,1|1,0,0]=3 6699 B13R0.493 CCC(C)CCC(=O)CCOC(=O)N 1458a_100000701222_200011214921 [0,1,0,0,0,1|2,0,0]=4 6700 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 11a_100000740010_100000701222 [0,1,0,0,0,1|2,0,0]=4 6701 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 240690a_100000740010_100000701222 [0,1,0,0,0,1|2,0,0]=4 6702 B13R0.493 CCC(C)CCC(=O)NCCC(=O)N 527a_100000740010_100000701222 [0,1,0,0,0,1|2,0,0]=4 6703 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C 11a_100020588543_100000183196 [0,1,0,0,0,1|1,0,0]=3 6704 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C 1626a_100020588543_100000183196 [0,1,0,0,0,1|1,0,0]=3 6705 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C 240690a_100020588543_100000183196 [0,1,0,0,0,1|1,0,0]=3 6706 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C 527a_100020588543_100000183196 [0,1,0,0,0,1|1,0,0]=3 6707 B13R0.493 CCC(C)CNC(=O)CCNC(=O)N 240690a_100020588543_100000181464 [0,1,0,0,0,1|2,0,0]=4 6708 B13R0.493 CCC(C)CNC(=O)CCNC(=O)N 527a_100020588543_100000181464 [0,1,0,0,0,1|2,0,0]=4 6709 B13R0.493 CCC(C)CNC(=O)CCSC(=O)C 1626a_100020588543_100000048949 [0,1,0,0,0,1|1,0,0]=3 6710 B13R0.493 CCC(C)CNC(=O)CCSC(=O)C 240690a_100020588543_100000048949 [0,1,0,0,0,1|1,0,0]=3 6711 B13R0.493 CCC(C)CNC(=O)COCC(=O)N 1626a_100020588543_100011219004 [0,1,0,0,0,1|2,0,0]=4 6712 B13R0.493 CCC(C)CNC(=O)COCC(=O)N 240690a_100020588543_100011219004 [0,1,0,0,0,1|2,0,0]=4 6713 B13R0.493 CCC(C)CNC(=O)COCC(=O)N 527a_100020588543_100011219004 [0,1,0,0,0,1|2,0,0]=4 6714 B13R0.493 CCC(C)CNC(=O)CSCC(=O)N 11a_100020588543_100000150265 [0,1,0,0,0,1|2,0,0]=4 6715 B13R0.493 CCC(C)CNC(=O)CSCC(=O)N 240690a_100020588543_100000150265 [0,1,0,0,0,1|2,0,0]=4 6716 B13R0.493 CCC(C)CNC(=O)CSCC(=O)N 527a_100020588543_100000150265 [0,1,0,0,0,1|2,0,0]=4 6717 B13R0.493 CCC(C)CNC(=O)NCCC(=O)N 2708a_100020588543_100000740010 [0,1,0,0,0,1|2,0,0]=4 6718 B13R0.493 CCC(C)CNC(=O)NCCC(=O)N 273464a_100000740010_100020588543 [0,1,0,0,0,1|2,0,0]=4 6719 B13R0.493 CCC(C)CNC(=O)NCCC(=O)N 273464a_100020588543_100000740010 [0,1,0,0,0,1|2,0,0]=4 6720 B13R0.493 CCC(C)CNC(=O)NCCC(=O)N 512a_100020588543_100000740010 [0,1,0,0,0,1|2,0,0]=4 6721 B13R0.493 CCC(C)NNC(=O)CCNC(=O)C 22a_100000718999_100000183196 [0,1,0,0,0,1|2,0,0]=4 6722 B13R0.493 CCC(O)CCC(=O)NCCC(=O)N 240690a_100000740010_203496584001 [0,1,0,0,0,1|2,0,0]=4 6723 B13R0.493 CCC(O)CNC(=O)CCNC(=O)C 11a_100011218483_100000183196 [0,1,0,0,0,1|1,0,0]=3 6724 B13R0.493 CCC(O)CNC(=O)CCNC(=O)C 240690a_100011218483_100000183196 [0,1,0,0,0,1|1,0,0]=3 6725 B13R0.493 CCC(O)CNC(=O)CCNC(=O)C 527a_100011218483_100000183196 [0,1,0,0,0,1|1,0,0]=3 6726 B13R0.493 CCC(O)CNC(=O)CCNC(=O)N 240690a_100011218483_100000181464 [0,1,0,0,0,1|2,0,0]=4 6727 B13R0.493 CCC(O)CNC(=O)CCNC(=O)N 527a_100011218483_100000181464 [0,1,0,0,0,1|2,0,0]=4 6728 B13R0.493 CCC(O)CNC(=O)CCSC(=O)C 240690a_100011218483_100000048949 [0,1,0,0,0,1|1,0,0]=3 6729 B13R0.493 CCC(O)CNC(=O)COCC(=O)N 240690a_100011218483_100011219004 [0,1,0,0,0,1|2,0,0]=4 6730 B13R0.493 CCC(O)CNC(=O)COCC(=O)N 527a_100011218483_100011219004 [0,1,0,0,0,1|2,0,0]=4 6731 B13R0.493 CCC(O)CNC(=O)CSCC(=O)N 11a_100011218483_100000150265 [0,1,0,0,0,1|2,0,0]=4 6732 B13R0.493 CCC(O)CNC(=O)CSCC(=O)N 240690a_100011218483_100000150265 [0,1,0,0,0,1|2,0,0]=4 6733 B13R0.493 CCC(O)CNC(=O)CSCC(=O)N 527a_100011218483_100000150265 [0,1,0,0,0,1|2,0,0]=4 6734 B13R0.493 CCC(O)CNC(=O)NCCC(=O)N 273464a_100000740010_100011218483 [0,1,0,0,0,1|2,0,0]=4 6735 B13R0.493 CCC(O)CNC(=O)NCCC(=O)N 273464a_100011218483_100000740010 [0,1,0,0,0,1|2,0,0]=4 6736 B13R0.493 CCC(O)CNC(=O)NCCC(=O)N 512a_100011218483_100000740010 [0,1,0,0,0,1|2,0,0]=4 6737 B13R0.493 CCN(C)CCC(=O)CCCC(=O)C 1458a_100000755305_100011215641 [0,1,0,0,0,1|2,0,0]=4 6738 B13R0.493 CCN(C)CCC(=O)CCNC(=O)C 1458a_100000755305_100000189650 [0,1,0,0,0,1|2,0,0]=4 6739 B13R0.493 CCN(C)CCC(=O)CCOC(=O)C 1458a_100000755305_100009814007 [0,1,0,0,0,1|2,0,0]=4 6740 B13R0.493 CCS(=O)CCC(=O)CCCC(=O)C 1458a_100011387550_100011215641 [0,1,0,0,0,1|2,0,0]=4 6741 B13R0.493 CCS(=O)CCC(=O)CCNC(=O)C 1458a_100011387550_100000189650 [0,1,0,0,0,1|2,0,0]=4 6742 B13R0.493 CCS(=O)CCC(=O)CCOC(=O)C 1458a_100011387550_100009814007 [0,1,0,0,0,1|2,0,0]=4 6743 B13R0.493 CO[C@H](C)CNC(=O)CCNC(=O)C 11a_100020591295_100000183196 [0,1,0,0,0,1|2,0,0]=4 6744 B13R0.493 CO[C@H](C)CNC(=O)CCNC(=O)C 1626a_100020591295_100000183196 [0,1,0,0,0,1|2,0,0]=4 6745 B13R0.493 CO[C@H](C)CNC(=O)CCNC(=O)C 240690a_100020591295_100000183196 [0,1,0,0,0,1|2,0,0]=4 6746 B13R0.493 CO[C@H](C)CNC(=O)CCNC(=O)C 527a_100020591295_100000183196 [0,1,0,0,0,1|2,0,0]=4 6747 B13R0.493 CO[C@H](C)CNC(=O)CCSC(=O)C 1626a_100020591295_100000048949 [0,1,0,0,0,1|2,0,0]=4 6748 B13R0.493 CO[C@H](C)CNC(=O)CCSC(=O)C 240690a_100020591295_100000048949 [0,1,0,0,0,1|2,0,0]=4 6749 B13R0.1259 CCCCNS(=O)(=O)CCOC(=O)C 270084a_100000102301_200000119425 [0,1,0,0,0,1|2,0,0]=4 6750 B13R0.1259 CCCCNS(=O)(=O)CCOC(=O)C 274078a_100000102301_200000119425 [0,1,0,0,0,1|2,0,0]=4 6751 B13R0.1398 CC(=CCCC(=O)CCCC(C)C)C 1458a_100011216857_100011217483 [0,1,0,0,0,1|2,0,0]=4 6752 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,1,0,0,0,1|1,0,0]=3 6753 B13R0.1398 CC(=O)CCCC(=O)CCNC(=O)C 1458a_100000183196_100011215641 [0,1,0,0,0,1|1,0,1]=4 6754 B13R0.1398 CC(=O)CCCC(=O)CCSC(=O)C 1458a_100000048949_100011215641 [0,1,0,0,0,1|1,0,1]=4 6755 B13R0.1398 CC(=O)CCCC(=O)COCC(C)C 1458a_100011223364_100011215641 [0,1,0,0,0,1|2,0,0]=4 6756 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100000183196_100011214892 [0,1,0,0,0,1|1,0,0]=3 6757 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_100000189650 [0,1,0,0,0,1|1,0,0]=3 6758 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)O 1458a_100000183196_200000718107 [0,1,0,0,0,1|1,0,0]=3 6759 B13R0.1398 CC(=O)NCCC(=O)CCCN(C)C 1458a_100000183196_100000695564 [0,1,0,0,0,1|2,0,0]=4 6760 B13R0.1398 CC(=O)NCCC(=O)CCOC(C)C 1458a_100000183196_100000211751 [0,1,0,0,0,1|2,0,0]=4 6761 B13R0.1398 CC(=O)NCCC(=O)CCSC(C)C 1458a_100000183196_100000730970 [0,1,0,0,0,1|2,0,0]=4 6762 B13R0.1398 CC(=O)NCCC(=O)COCC(C)C 1458a_100011223364_100000189650 [0,1,0,0,0,1|2,0,0]=4 6763 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 11a_100000210545_100000183196 [0,1,0,0,0,1|1,0,0]=3 6764 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 1626a_100000210545_100000183196 [0,1,0,0,0,1|1,0,0]=3 6765 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 240690a_100000210545_100000183196 [0,1,0,0,0,1|1,0,0]=3 6766 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 527a_100000210545_100000183196 [0,1,0,0,0,1|1,0,0]=3 6767 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)O 240690a_200000755665_100000183196 [0,1,0,0,0,1|1,0,0]=3 6768 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)O 527a_200000755665_100000183196 [0,1,0,0,0,1|1,0,0]=3 6769 B13R0.1398 CC(=O)NCCC(=O)NCCN(C)C 240690a_100000210585_100000183196 [0,1,0,0,0,1|2,0,0]=4 6770 B13R0.1398 CC(=O)NCCC(=O)NCCN(C)C 527a_100000210585_100000183196 [0,1,0,0,0,1|2,0,0]=4 6771 B13R0.1398 CC(=O)NCCC(=O)NNCC(C)C 22a_100000696102_100000183196 [0,1,0,0,0,1|2,0,0]=4 6772 B13R0.1398 CC(=O)NCCC(=O)NNCC(C)O 22a_200000730056_100000183196 [0,1,0,0,0,1|2,0,0]=4 6773 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,1,0,0,0,1|1,0,0]=3 6774 B13R0.1398 CC(=O)OCCC(=O)COCC(C)C 1458a_100011223364_100009814007 [0,1,0,0,0,1|2,0,0]=4 6775 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)C 1458a_100000048949_100011214892 [0,1,0,0,0,1|1,0,0]=3 6776 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)O 1458a_100000048949_200000718107 [0,1,0,0,0,1|1,0,0]=3 6777 B13R0.1398 CC(=O)SCCC(=O)CCCN(C)C 1458a_100000048949_100000695564 [0,1,0,0,0,1|2,0,0]=4 6778 B13R0.1398 CC(=O)SCCC(=O)CCOC(C)C 1458a_100000048949_100000211751 [0,1,0,0,0,1|2,0,0]=4 6779 B13R0.1398 CC(=O)SCCC(=O)CCSC(C)C 1458a_100000048949_100000730970 [0,1,0,0,0,1|2,0,0]=4 6780 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)C 1626a_100000210545_100000048949 [0,1,0,0,0,1|1,0,0]=3 6781 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)C 240690a_100000210545_100000048949 [0,1,0,0,0,1|1,0,0]=3 6782 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)O 240690a_200000755665_100000048949 [0,1,0,0,0,1|1,0,0]=3 6783 B13R0.1398 CC(=O)SCCC(=O)NCCN(C)C 240690a_100000210585_100000048949 [0,1,0,0,0,1|2,0,0]=4 6784 B13R0.1398 CC(C)CCCC(=O)CCCC(=O)N 1458a_100011216857_100102525003 [0,1,0,0,0,1|2,0,0]=4 6785 B13R0.1398 CC(C)CCCC(=O)CCNC(=O)N 1458a_100000181464_100011214892 [0,1,0,0,0,1|2,0,0]=4 6786 B13R0.1398 CC(C)CCCC(=O)CCNC(=O)N 1458a_100011216857_200000034859 [0,1,0,0,0,1|2,0,0]=4 6787 B13R0.1398 CC(C)CCCC(=O)CCOC(=O)N 1458a_100011216857_200011214921 [0,1,0,0,0,1|2,0,0]=4 6788 B13R0.1398 CC(C)CCCC(=O)COCC(=O)N 1458a_100011219004_100011214892 [0,1,0,0,0,1|2,0,0]=4 6789 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 11a_100000740010_100011216857 [0,1,0,0,0,1|2,0,0]=4 6790 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 240690a_100000740010_100011216857 [0,1,0,0,0,1|2,0,0]=4 6791 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 527a_100000740010_100011216857 [0,1,0,0,0,1|2,0,0]=4 6792 B13R0.1398 CC(C)CCNC(=O)CCNC(=O)N 240690a_100000210545_100000181464 [0,1,0,0,0,1|2,0,0]=4 6793 B13R0.1398 CC(C)CCNC(=O)CCNC(=O)N 527a_100000210545_100000181464 [0,1,0,0,0,1|2,0,0]=4 6794 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 1626a_100000210545_100011219004 [0,1,0,0,0,1|2,0,0]=4 6795 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 240690a_100000210545_100011219004 [0,1,0,0,0,1|2,0,0]=4 6796 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 527a_100000210545_100011219004 [0,1,0,0,0,1|2,0,0]=4 6797 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 11a_100000210545_100000150265 [0,1,0,0,0,1|2,0,0]=4 6798 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 240690a_100000210545_100000150265 [0,1,0,0,0,1|2,0,0]=4 6799 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 527a_100000210545_100000150265 [0,1,0,0,0,1|2,0,0]=4 6800 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 2708a_100000210545_100000740010 [0,1,0,0,0,1|2,0,0]=4 6801 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 273464a_100000210545_100000740010 [0,1,0,0,0,1|2,0,0]=4 6802 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 273464a_100000740010_100000210545 [0,1,0,0,0,1|2,0,0]=4 6803 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 512a_100000210545_100000740010 [0,1,0,0,0,1|2,0,0]=4 6804 B13R0.1398 CC(O)CCCC(=O)CCNC(=O)N 1458a_100000181464_200000718107 [0,1,0,0,0,1|2,0,0]=4 6805 B13R0.1398 CC(O)CCCC(=O)COCC(=O)N 1458a_100011219004_200000718107 [0,1,0,0,0,1|2,0,0]=4 6806 B13R0.1398 CC(O)CCCC(=O)NCCC(=O)N 527a_100000740010_100000761597 [0,1,0,0,0,1|2,0,0]=4 6807 B13R0.1398 CC(O)CCNC(=O)CCNC(=O)N 240690a_200000755665_100000181464 [0,1,0,0,0,1|2,0,0]=4 6808 B13R0.1398 CC(O)CCNC(=O)CCNC(=O)N 527a_200000755665_100000181464 [0,1,0,0,0,1|2,0,0]=4 6809 B13R0.1398 CC(O)CCNC(=O)COCC(=O)N 240690a_200000755665_100011219004 [0,1,0,0,0,1|2,0,0]=4 6810 B13R0.1398 CC(O)CCNC(=O)COCC(=O)N 527a_200000755665_100011219004 [0,1,0,0,0,1|2,0,0]=4 6811 B13R0.1398 CC(O)CCNC(=O)CSCC(=O)N 240690a_200000755665_100000150265 [0,1,0,0,0,1|2,0,0]=4 6812 B13R0.1398 CC(O)CCNC(=O)CSCC(=O)N 527a_200000755665_100000150265 [0,1,0,0,0,1|2,0,0]=4 6813 B13R0.1398 CC(O)CCNC(=O)NCCC(=O)N 273464a_200000755665_100000740010 [0,1,0,0,0,1|2,0,0]=4 6814 B13R0.1398 CC(O)CCNC(=O)NCCC(=O)N 512a_200000755665_100000740010 [0,1,0,0,0,1|2,0,0]=4 6815 B13R0.51 C=C(C)CCC(=O)NCC(O)C(C)C 11a_100000759067_200000688413 [0,2,0,0,0,0|2,0,0]=4 6816 B13R0.51 C=C(C)CCC(=O)NCC(O)C(C)C 240690a_100000759067_200000688413 [0,2,0,0,0,0|2,0,0]=4 6817 B13R0.51 C=C(C)CCC(=O)NCC(O)C(C)C 527a_100000759067_200000688413 [0,2,0,0,0,0|2,0,0]=4 6818 B13R0.51 CC(=O)NCC(=O)NCC(O)C(C)C 11a_100000759067_100000194580 [0,2,0,0,0,0|2,0,0]=4 6819 B13R0.51 CC(=O)NCC(=O)NCC(O)C(C)C 240690a_100000759067_100000194580 [0,2,0,0,0,0|2,0,0]=4 6820 B13R0.51 CC(=O)NCC(=O)NCC(O)C(C)C 527a_100000759067_100000194580 [0,2,0,0,0,0|2,0,0]=4 6821 B13R0.51 CC(=O)OCC(=O)NCC(O)C(C)C 240690a_100000759067_100000183556 [0,2,0,0,0,0|2,0,0]=4 6822 B13R0.51 CC(=O)OCC(=O)NCC(O)C(C)C 527a_100000759067_100000183556 [0,2,0,0,0,0|2,0,0]=4 6823 B13R0.51 CC(=O)SCC(=O)NCC(O)C(C)C 11a_100000759067_100000049016 [0,2,0,0,0,0|2,0,0]=4 6824 B13R0.51 CC(=O)SCC(=O)NCC(O)C(C)C 240690a_100000759067_100000049016 [0,2,0,0,0,0|2,0,0]=4 6825 B13R0.51 CC(C)C(O)CNC(=O)CCC(=O)N 240690a_100000759067_100011215257 [0,2,0,0,0,0|2,0,0]=4 6826 B13R0.51 CC(C)C(O)CNC(=O)CCC(=O)N 527a_100000759067_100011215257 [0,2,0,0,0,0|2,0,0]=4 6827 B13R0.208 C=C(C)CCC(=O)CCCN(C)CC 1458a_200000688413_100015186262 [0,2,0,0,0,0|2,0,0]=4 6828 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 11a_100020591266_200000688413 [0,2,0,0,0,0|2,0,0]=4 6829 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 1626a_100020591266_200000688413 [0,2,0,0,0,0|2,0,0]=4 6830 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 240690a_100020591266_200000688413 [0,2,0,0,0,0|2,0,0]=4 6831 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 527a_100020591266_200000688413 [0,2,0,0,0,0|2,0,0]=4 6832 B13R0.208 C=C(C)CCC(=O)NCCC(C)CO 240690a_106354213184_200000688413 [0,2,0,0,0,0|2,0,0]=4 6833 B13R0.208 C=C(C)CCC(=O)NCCC(C)CO 527a_106354213184_200000688413 [0,2,0,0,0,0|2,0,0]=4 6834 B13R0.208 C=C(C)CCC(=O)NNCC(O)CC 22a_100015206393_200000688413 [0,2,0,0,0,0|2,0,0]=4 6835 B13R0.208 CC(=O)NCC(=O)NCCC(C)CO 240690a_106354213184_100000194580 [0,2,0,0,0,0|2,0,0]=4 6836 B13R0.208 CC(=O)NCC(=O)NCCC(C)CO 527a_106354213184_100000194580 [0,2,0,0,0,0|2,0,0]=4 6837 B13R0.208 CC(=O)OCC(=O)COCC(C)CN 34a_100000744482_100000036994 [0,2,0,0,0,0|2,0,0]=4 6838 B13R0.208 CC(=O)OCC(=O)COCC(Cl)CCl 34a_100000033668_100000036994 [0,2,0,0,0,0|2,0,0]=4 6839 B13R0.208 CC(=O)OCC(=O)COC[C@H](F)CN 34a_100015665980_100000036994 [0,2,0,0,0,0|2,0,0]=4 6840 B13R0.208 CC(=O)OCC(=O)NCCC(C)CO 240690a_106354213184_100000183556 [0,2,0,0,0,0|2,0,0]=4 6841 B13R0.208 CC(=O)OCC(=O)NCCC(C)CO 527a_106354213184_100000183556 [0,2,0,0,0,0|2,0,0]=4 6842 B13R0.208 CC(=O)SCC(=O)NCCC(C)CO 240690a_106354213184_100000049016 [0,2,0,0,0,0|2,0,0]=4 6843 B13R0.208 CC(CO)CCNC(=O)CCC(=O)N 240690a_106354213184_100011215257 [0,2,0,0,0,0|2,0,0]=4 6844 B13R0.208 CC(CO)CCNC(=O)CCC(=O)N 527a_106354213184_100011215257 [0,2,0,0,0,0|2,0,0]=4 6845 B13R0.208 CCC(=O)COCC(=O)COC(=O)C 34a_100000725409_100000036994 [0,2,0,0,0,0|1,0,1]=4 6846 B13R0.208 CCC(C)CCNC(=O)CCC(=O)N 240690a_100020591266_100011215257 [0,2,0,0,0,0|2,0,0]=4 6847 B13R0.208 CCC(C)CCNC(=O)CCC(=O)N 527a_100020591266_100011215257 [0,2,0,0,0,0|2,0,0]=4 6848 B13R0.208 CCC(C)CCNC(=O)CNC(=O)C 11a_100020591266_100000194580 [0,2,0,0,0,0|2,0,0]=4 6849 B13R0.208 CCC(C)CCNC(=O)CNC(=O)C 1626a_100020591266_100000194580 [0,2,0,0,0,0|2,0,0]=4 6850 B13R0.208 CCC(C)CCNC(=O)CNC(=O)C 240690a_100020591266_100000194580 [0,2,0,0,0,0|2,0,0]=4 6851 B13R0.208 CCC(C)CCNC(=O)CNC(=O)C 527a_100020591266_100000194580 [0,2,0,0,0,0|2,0,0]=4 6852 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 1626a_100020591266_100000183556 [0,2,0,0,0,0|2,0,0]=4 6853 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 240690a_100020591266_100000183556 [0,2,0,0,0,0|2,0,0]=4 6854 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 527a_100020591266_100000183556 [0,2,0,0,0,0|2,0,0]=4 6855 B13R0.208 CCC(C)CCNC(=O)CSC(=O)C 11a_100020591266_100000049016 [0,2,0,0,0,0|2,0,0]=4 6856 B13R0.208 CCC(C)CCNC(=O)CSC(=O)C 1626a_100020591266_100000049016 [0,2,0,0,0,0|2,0,0]=4 6857 B13R0.208 CCC(C)CCNC(=O)CSC(=O)C 240690a_100020591266_100000049016 [0,2,0,0,0,0|2,0,0]=4 6858 B13R0.208 CCC(C)CSCC(=O)COC(=O)C 62a_100000036994_100000748023 [0,2,0,0,0,0|1,1,0]=4 6859 B13R0.208 CCC(C)CSCC(=O)COC(=O)C 62a_100000748023_100000036994 [0,2,0,0,0,0|1,1,0]=4 6860 B13R0.208 CCC(O)CNNC(=O)CCC(=O)N 22a_100015206393_100011215257 [0,2,0,0,0,0|2,0,0]=4 6861 B13R0.208 CCC(O)CNNC(=O)CNC(=O)C 22a_100015206393_100000194580 [0,2,0,0,0,0|2,0,0]=4 6862 B13R0.208 CCC(O)CNNC(=O)COC(=O)C 22a_100015206393_100000183556 [0,2,0,0,0,0|2,0,0]=4 6863 B13R0.208 CCC(O)CSCC(=O)COC(=O)C 62a_100000036994_100011218378 [0,2,0,0,0,0|1,1,0]=4 6864 B13R0.208 CCC(O)CSCC(=O)COC(=O)C 62a_100011218378_100000036994 [0,2,0,0,0,0|1,1,0]=4 6865 B13R0.208 CCN(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100015186262 [0,2,0,0,0,0|2,0,0]=4 6866 B13R0.208 CCN(C)CCCC(=O)CNC(=O)C 1458a_100000194580_100015186262 [0,2,0,0,0,0|2,0,0]=4 6867 B13R0.208 CCN(C)CCCC(=O)COC(=O)C 1458a_100000183556_100015186262 [0,2,0,0,0,0|2,0,0]=4 6868 B13R0.208 CCN(C)CCCC(=O)CSC(=O)C 1458a_100000049016_100015186262 [0,2,0,0,0,0|2,0,0]=4 6869 B13R0.208 CC[C@H](C)COCC(=O)NNC(=O)C 7a_100009816381_100000181415 [0,2,0,0,0,0|2,0,0]=4 6870 B13R0.208 CC[C@H](C)CSCC(=O)COC(=O)C 62a_100000036994_100009816398 [0,2,0,0,0,0|1,1,0]=4 6871 B13R0.208 CC[C@H](C)CSCC(=O)COC(=O)C 62a_100009816398_100000036994 [0,2,0,0,0,0|1,1,0]=4 6872 B13R0.208 COC(C)COCC(=O)COC(=O)C 34a_100000690652_100000036994 [0,2,0,0,0,0|2,0,0]=4 6873 B13R0.349 C=C(C)CCC(=O)C(C)CCC(C)C 1458a_200000688413_100011261404 [0,2,0,0,0,0|2,0,0]=4 6874 B13R0.349 C=C(C)CCC(=O)N(C)CCC(C)C 11a_100000742789_200000688413 [0,2,0,0,0,0|2,0,0]=4 6875 B13R0.349 C=C(C)CCC(=O)N(C)CCC(C)C 1626a_100000742789_200000688413 [0,2,0,0,0,0|2,0,0]=4 6876 B13R0.349 C=C(C)CCC(=O)N(C)CCC(C)C 240690a_100000742789_200000688413 [0,2,0,0,0,0|2,0,0]=4 6877 B13R0.349 C=C(C)CCC(=O)N(C)CCC(C)C 527a_100000742789_200000688413 [0,2,0,0,0,0|2,0,0]=4 6878 B13R0.349 CC(=O)NCC(=O)C(C)CCC(C)C 1458a_100000194580_100011261404 [0,2,0,0,0,0|2,0,0]=4 6879 B13R0.349 CC(=O)NCC(=O)N(C)CCC(C)C 11a_100000742789_100000194580 [0,2,0,0,0,0|2,0,0]=4 6880 B13R0.349 CC(=O)NCC(=O)N(C)CCC(C)C 1626a_100000742789_100000194580 [0,2,0,0,0,0|2,0,0]=4 6881 B13R0.349 CC(=O)NCC(=O)N(C)CCC(C)C 240690a_100000742789_100000194580 [0,2,0,0,0,0|2,0,0]=4 6882 B13R0.349 CC(=O)NCC(=O)N(C)CCC(C)C 527a_100000742789_100000194580 [0,2,0,0,0,0|2,0,0]=4 6883 B13R0.349 CC(=O)OCC(=O)C(C)CCC(C)C 1458a_100000183556_100011261404 [0,2,0,0,0,0|2,0,0]=4 6884 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 1626a_100000742789_100000183556 [0,2,0,0,0,0|2,0,0]=4 6885 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 240690a_100000742789_100000183556 [0,2,0,0,0,0|2,0,0]=4 6886 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 527a_100000742789_100000183556 [0,2,0,0,0,0|2,0,0]=4 6887 B13R0.349 CC(=O)SCC(=O)C(C)CCC(C)C 1458a_100000049016_100011261404 [0,2,0,0,0,0|2,0,0]=4 6888 B13R0.349 CC(=O)SCC(=O)N(C)CCC(C)C 11a_100000742789_100000049016 [0,2,0,0,0,0|2,0,0]=4 6889 B13R0.349 CC(=O)SCC(=O)N(C)CCC(C)C 1626a_100000742789_100000049016 [0,2,0,0,0,0|2,0,0]=4 6890 B13R0.349 CC(=O)SCC(=O)N(C)CCC(C)C 240690a_100000742789_100000049016 [0,2,0,0,0,0|2,0,0]=4 6891 B13R0.349 CC(C)CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100011261404 [0,2,0,0,0,0|2,0,0]=4 6892 B13R0.349 CC(C)CCN(C)C(=O)CCC(=O)N 240690a_100000742789_100011215257 [0,2,0,0,0,0|2,0,0]=4 6893 B13R0.349 CC(C)CCN(C)C(=O)CCC(=O)N 527a_100000742789_100011215257 [0,2,0,0,0,0|2,0,0]=4 6894 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)C 11a_100000738805_200000688413 [0,2,0,0,0,0|2,0,0]=4 6895 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)C 1626a_100000738805_200000688413 [0,2,0,0,0,0|2,0,0]=4 6896 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)C 240690a_100000738805_200000688413 [0,2,0,0,0,0|2,0,0]=4 6897 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)C 527a_100000738805_200000688413 [0,2,0,0,0,0|2,0,0]=4 6898 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)F 11a_100016253952_200000688413 [0,2,0,0,0,0|2,0,0]=4 6899 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)F 1626a_100016253952_200000688413 [0,2,0,0,0,0|2,0,0]=4 6900 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)F 240690a_100016253952_200000688413 [0,2,0,0,0,0|2,0,0]=4 6901 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)F 527a_100016253952_200000688413 [0,2,0,0,0,0|2,0,0]=4 6902 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)O 1626a_100000707701_200000688413 [0,2,0,0,0,0|2,0,0]=4 6903 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)O 527a_100000707701_200000688413 [0,2,0,0,0,0|2,0,0]=4 6904 B13R0.351 CC(=O)CCC(=O)OCC[N+](C)(C)C 1458a_100000730269_200000210301 [0,2,0,0,0,0|1,0,0]=3 6905 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C 11a_100000738805_100000194580 [0,2,0,0,0,0|2,0,0]=4 6906 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C 1626a_100000738805_100000194580 [0,2,0,0,0,0|2,0,0]=4 6907 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C 240690a_100000738805_100000194580 [0,2,0,0,0,0|2,0,0]=4 6908 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C 527a_100000738805_100000194580 [0,2,0,0,0,0|2,0,0]=4 6909 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)F 11a_100016253952_100000194580 [0,2,0,0,0,0|2,0,0]=4 6910 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)F 1626a_100016253952_100000194580 [0,2,0,0,0,0|2,0,0]=4 6911 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)F 240690a_100016253952_100000194580 [0,2,0,0,0,0|2,0,0]=4 6912 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)F 527a_100016253952_100000194580 [0,2,0,0,0,0|2,0,0]=4 6913 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)O 1626a_100000707701_100000194580 [0,2,0,0,0,0|2,0,0]=4 6914 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)O 527a_100000707701_100000194580 [0,2,0,0,0,0|2,0,0]=4 6915 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)C 1626a_100000738805_100000183556 [0,2,0,0,0,0|2,0,0]=4 6916 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)C 240690a_100000738805_100000183556 [0,2,0,0,0,0|2,0,0]=4 6917 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)C 527a_100000738805_100000183556 [0,2,0,0,0,0|2,0,0]=4 6918 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)F 1626a_100016253952_100000183556 [0,2,0,0,0,0|2,0,0]=4 6919 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)F 240690a_100016253952_100000183556 [0,2,0,0,0,0|2,0,0]=4 6920 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)F 527a_100016253952_100000183556 [0,2,0,0,0,0|2,0,0]=4 6921 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)O 1626a_100000707701_100000183556 [0,2,0,0,0,0|2,0,0]=4 6922 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)O 527a_100000707701_100000183556 [0,2,0,0,0,0|2,0,0]=4 6923 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)C 11a_100000738805_100000049016 [0,2,0,0,0,0|2,0,0]=4 6924 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)C 1626a_100000738805_100000049016 [0,2,0,0,0,0|2,0,0]=4 6925 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)C 240690a_100000738805_100000049016 [0,2,0,0,0,0|2,0,0]=4 6926 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)F 11a_100016253952_100000049016 [0,2,0,0,0,0|2,0,0]=4 6927 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)F 1626a_100016253952_100000049016 [0,2,0,0,0,0|2,0,0]=4 6928 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)F 240690a_100016253952_100000049016 [0,2,0,0,0,0|2,0,0]=4 6929 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)O 1626a_100000707701_100000049016 [0,2,0,0,0,0|2,0,0]=4 6930 B13R0.351 CC(C)(C)CCNC(=O)CCC(=O)N 240690a_100000738805_100011215257 [0,2,0,0,0,0|2,0,0]=4 6931 B13R0.351 CC(C)(C)CCNC(=O)CCC(=O)N 527a_100000738805_100011215257 [0,2,0,0,0,0|2,0,0]=4 6932 B13R0.351 CC(C)(F)CCNC(=O)CCC(=O)N 240690a_100016253952_100011215257 [0,2,0,0,0,0|2,0,0]=4 6933 B13R0.351 CC(C)(F)CCNC(=O)CCC(=O)N 527a_100016253952_100011215257 [0,2,0,0,0,0|2,0,0]=4 6934 B13R0.351 CC(C)(O)CCNC(=O)CCC(=O)N 527a_100000707701_100011215257 [0,2,0,0,0,0|2,0,0]=4 6935 B13R0.351 C[N+](C)(C)CCOC(=O)CCC(=O)[13CH3] 1458a_100000730269_200025704644 [0,2,0,0,0,0|1,0,0]=3 6936 B13R0.444 CC(=O)C(=O)CC(=O)CCCC(C)C 1458a_100011216857_100011261029 [0,2,0,0,0,0|1,0,1]=4 6937 B13R0.444 CC(=O)N(C)CC(=O)CCCC(C)C 1458a_100000194957_100011214892 [0,2,0,0,0,0|2,0,0]=4 6938 B13R0.444 CC(=O)N(C)CC(=O)CCCC(C)O 1458a_100000194957_200000718107 [0,2,0,0,0,0|2,0,0]=4 6939 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)C 11a_100000210545_100000194957 [0,2,0,0,0,0|2,0,0]=4 6940 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)C 1626a_100000210545_100000194957 [0,2,0,0,0,0|2,0,0]=4 6941 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)C 240690a_100000210545_100000194957 [0,2,0,0,0,0|2,0,0]=4 6942 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)C 527a_100000210545_100000194957 [0,2,0,0,0,0|2,0,0]=4 6943 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)O 240690a_200000755665_100000194957 [0,2,0,0,0,0|2,0,0]=4 6944 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)O 527a_200000755665_100000194957 [0,2,0,0,0,0|2,0,0]=4 6945 B13R0.615 C=C(C)CCC(=O)NC(C)CC(C)C 11a_100000692259_200000688413 [0,2,0,0,0,0|2,0,0]=4 6946 B13R0.615 C=C(C)CCC(=O)NC(C)CC(C)C 1626a_100000692259_200000688413 [0,2,0,0,0,0|2,0,0]=4 6947 B13R0.615 C=C(C)CCC(=O)NC(C)CC(C)C 240690a_100000692259_200000688413 [0,2,0,0,0,0|2,0,0]=4 6948 B13R0.615 C=C(C)CCC(=O)NC(C)CC(C)C 527a_100000692259_200000688413 [0,2,0,0,0,0|2,0,0]=4 6949 B13R0.615 CC(=O)NCC(=O)NC(C)CC(C)C 11a_100000692259_100000194580 [0,2,0,0,0,0|2,0,0]=4 6950 B13R0.615 CC(=O)NCC(=O)NC(C)CC(C)C 1626a_100000692259_100000194580 [0,2,0,0,0,0|2,0,0]=4 6951 B13R0.615 CC(=O)NCC(=O)NC(C)CC(C)C 240690a_100000692259_100000194580 [0,2,0,0,0,0|2,0,0]=4 6952 B13R0.615 CC(=O)NCC(=O)NC(C)CC(C)C 527a_100000692259_100000194580 [0,2,0,0,0,0|2,0,0]=4 6953 B13R0.615 CC(=O)OCC(=O)NC(C)CC(C)C 1626a_100000692259_100000183556 [0,2,0,0,0,0|2,0,0]=4 6954 B13R0.615 CC(=O)OCC(=O)NC(C)CC(C)C 240690a_100000692259_100000183556 [0,2,0,0,0,0|2,0,0]=4 6955 B13R0.615 CC(=O)OCC(=O)NC(C)CC(C)C 527a_100000692259_100000183556 [0,2,0,0,0,0|2,0,0]=4 6956 B13R0.615 CC(=O)SCC(=O)NC(C)CC(C)C 11a_100000692259_100000049016 [0,2,0,0,0,0|2,0,0]=4 6957 B13R0.615 CC(=O)SCC(=O)NC(C)CC(C)C 1626a_100000692259_100000049016 [0,2,0,0,0,0|2,0,0]=4 6958 B13R0.615 CC(=O)SCC(=O)NC(C)CC(C)C 240690a_100000692259_100000049016 [0,2,0,0,0,0|2,0,0]=4 6959 B13R0.615 CC(C)CC(C)NC(=O)CCC(=O)N 240690a_100000692259_100011215257 [0,2,0,0,0,0|2,0,0]=4 6960 B13R0.615 CC(C)CC(C)NC(=O)CCC(=O)N 527a_100000692259_100011215257 [0,2,0,0,0,0|2,0,0]=4 6961 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCCC(C)C 1458a_100011504603_100011214892 [0,2,0,0,0,0|2,0,0]=4 6962 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCCC(C)O 1458a_100011504603_200000718107 [0,2,0,0,0,0|2,0,0]=4 6963 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)C 11a_100000210545_100011504603 [0,2,0,0,0,0|2,0,0]=4 6964 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)C 1626a_100000210545_100011504603 [0,2,0,0,0,0|2,0,0]=4 6965 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)C 240690a_100000210545_100011504603 [0,2,0,0,0,0|2,0,0]=4 6966 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)C 527a_100000210545_100011504603 [0,2,0,0,0,0|2,0,0]=4 6967 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)O 240690a_200000755665_100011504603 [0,2,0,0,0,0|2,0,0]=4 6968 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)O 527a_200000755665_100011504603 [0,2,0,0,0,0|2,0,0]=4 6969 B13R0.1403 CC(=O)OC(C)C(=O)CCCC(C)C 1458a_100011216857_100009818208 [0,2,0,0,0,0|2,0,0]=4 6970 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCCC(C)C 1458a_100009816467_100011214892 [0,2,0,0,0,0|2,0,0]=4 6971 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCCC(C)O 1458a_100009816467_200000718107 [0,2,0,0,0,0|2,0,0]=4 6972 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)C 11a_100000210545_100009816467 [0,2,0,0,0,0|2,0,0]=4 6973 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)C 1626a_100000210545_100009816467 [0,2,0,0,0,0|2,0,0]=4 6974 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)C 240690a_100000210545_100009816467 [0,2,0,0,0,0|2,0,0]=4 6975 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)C 527a_100000210545_100009816467 [0,2,0,0,0,0|2,0,0]=4 6976 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)O 240690a_200000755665_100009816467 [0,2,0,0,0,0|2,0,0]=4 6977 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)O 527a_200000755665_100009816467 [0,2,0,0,0,0|2,0,0]=4 6978 B13R0.1426 CC(C)CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100011214892 [0,2,0,0,0,0|2,0,0]=4 6979 B13R0.1426 CC(C)CCCC(=O)CCS(=O)(=O)C 1458a_100011216857_100000731031 [0,2,0,0,0,0|2,0,0]=4 6980 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C 11a_100000210545_100000737124 [0,2,0,0,0,0|2,0,0]=4 6981 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C 1626a_100000210545_100000737124 [0,2,0,0,0,0|2,0,0]=4 6982 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C 240690a_100000210545_100000737124 [0,2,0,0,0,0|2,0,0]=4 6983 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C 527a_100000210545_100000737124 [0,2,0,0,0,0|2,0,0]=4 6984 B13R0.1426 CC(O)CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_200000718107 [0,2,0,0,0,0|2,0,0]=4 6985 B13R0.1426 CC(O)CCNC(=O)CCS(=O)(=O)C 240690a_200000755665_100000737124 [0,2,0,0,0,0|2,0,0]=4 6986 B13R0.1426 CC(O)CCNC(=O)CCS(=O)(=O)C 527a_200000755665_100000737124 [0,2,0,0,0,0|2,0,0]=4 6987 B13R0.40 CCCCC(C)C(=O)CCC(=O)NC 1458a_100011309844_200011215066 [0,2,0,0,0,0|1,0,0]=3 6988 B13R0.40 CCCCC(C)C(=O)CCC(=O)OC 1458a_100000187943_200011215066 [0,2,0,0,0,0|1,0,0]=3 6989 B13R0.40 CCCCC(C)C(=O)CCS(=O)CC 1458a_100011387550_200011215066 [0,2,0,0,0,0|2,0,0]=4 6990 B13R0.40 CCCCC(C)C(=O)CNC(=O)CC 1458a_100000194589_200011215066 [0,2,0,0,0,0|2,0,0]=4 6991 B13R0.40 CCCCC(C)C(=O)CNC(=O)OC 1458a_100000215747_200011215066 [0,2,0,0,0,0|2,0,0]=4 6992 B13R0.40 CCCCC(C)C(=O)NCC(=O)NC 11a_100000693194_100000725509 [0,2,0,0,0,0|2,0,0]=4 6993 B13R0.40 CCCCC(C)C(=O)NCC(=O)NC 240690a_100000693194_100000725509 [0,2,0,0,0,0|2,0,0]=4 6994 B13R0.40 CCCCC(C)C(=O)NCC(=O)NC 527a_100000693194_100000725509 [0,2,0,0,0,0|2,0,0]=4 6995 B13R0.40 CCCCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000725509 [0,2,0,0,0,0|2,0,0]=4 6996 B13R0.40 CCCCC(O)C(=O)NCC(=O)NC 240690a_100000693194_100000720857 [0,2,0,0,0,0|2,0,0]=4 6997 B13R0.40 CCCCC(O)C(=O)NCC(=O)NC 527a_100000693194_100000720857 [0,2,0,0,0,0|2,0,0]=4 6998 B13R0.40 CCCCC(O)C(=O)NCC(=O)OC 188690a_100000185156_100000720857 [0,2,0,0,0,0|2,0,0]=4 6999 B13R0.40 CCCCN(C)C(=O)CCC(=O)NC 11a_100000207549_100011309844 [0,2,0,0,0,0|1,0,0]=3 7000 B13R0.40 CCCCN(C)C(=O)CCC(=O)NC 1626a_100000207549_100011309844 [0,2,0,0,0,0|1,0,0]=3 7001 B13R0.40 CCCCN(C)C(=O)CCC(=O)NC 240690a_100000207549_100011309844 [0,2,0,0,0,0|1,0,0]=3 7002 B13R0.40 CCCCN(C)C(=O)CCC(=O)NC 527a_100000207549_100011309844 [0,2,0,0,0,0|1,0,0]=3 7003 B13R0.40 CCCCN(C)C(=O)CCC(=O)OC 11a_100000207549_100000187943 [0,2,0,0,0,0|1,0,0]=3 7004 B13R0.40 CCCCN(C)C(=O)CCC(=O)OC 1626a_100000207549_100000187943 [0,2,0,0,0,0|1,0,0]=3 7005 B13R0.40 CCCCN(C)C(=O)CCC(=O)OC 240690a_100000207549_100000187943 [0,2,0,0,0,0|1,0,0]=3 7006 B13R0.40 CCCCN(C)C(=O)CCC(=O)OC 527a_100000207549_100000187943 [0,2,0,0,0,0|1,0,0]=3 7007 B13R0.40 CCCCN(C)C(=O)CCS(=O)CC 11a_100000207549_100011387550 [0,2,0,0,0,0|2,0,0]=4 7008 B13R0.40 CCCCN(C)C(=O)CCS(=O)CC 1626a_100000207549_100011387550 [0,2,0,0,0,0|2,0,0]=4 7009 B13R0.40 CCCCN(C)C(=O)CCS(=O)CC 240690a_100000207549_100011387550 [0,2,0,0,0,0|2,0,0]=4 7010 B13R0.40 CCCCN(C)C(=O)CCS(=O)CC 527a_100000207549_100011387550 [0,2,0,0,0,0|2,0,0]=4 7011 B13R0.40 CCCCN(C)C(=O)CNC(=O)CC 11a_100000207549_100000194589 [0,2,0,0,0,0|2,0,0]=4 7012 B13R0.40 CCCCN(C)C(=O)CNC(=O)CC 1626a_100000207549_100000194589 [0,2,0,0,0,0|2,0,0]=4 7013 B13R0.40 CCCCN(C)C(=O)CNC(=O)CC 240690a_100000207549_100000194589 [0,2,0,0,0,0|2,0,0]=4 7014 B13R0.40 CCCCN(C)C(=O)CNC(=O)CC 527a_100000207549_100000194589 [0,2,0,0,0,0|2,0,0]=4 7015 B13R0.40 CCCCN(C)C(=O)CNC(=O)OC 11a_100000207549_100000215747 [0,2,0,0,0,0|2,0,0]=4 7016 B13R0.40 CCCCN(C)C(=O)CNC(=O)OC 1626a_100000207549_100000215747 [0,2,0,0,0,0|2,0,0]=4 7017 B13R0.40 CCCCN(C)C(=O)CNC(=O)OC 240690a_100000207549_100000215747 [0,2,0,0,0,0|2,0,0]=4 7018 B13R0.40 CCCCN(C)C(=O)CNC(=O)OC 527a_100000207549_100000215747 [0,2,0,0,0,0|2,0,0]=4 7019 B13R0.40 CCCCN(C)C(=O)NCC(=O)NC 273464a_100000693194_100000207549 [0,2,0,0,0,0|2,0,0]=4 7020 B13R0.40 CNC(=O)CCC(=O)N(C)CCCO 240690a_100000213112_100011309844 [0,2,0,0,0,0|2,0,0]=4 7021 B13R0.40 CNC(=O)CCC(=O)N(C)CCCO 527a_100000213112_100011309844 [0,2,0,0,0,0|2,0,0]=4 7022 B13R0.40 CNC(=O)CCC(=O)N(C)CCOC 11a_100000743101_100011309844 [0,2,0,0,0,0|2,0,0]=4 7023 B13R0.40 CNC(=O)CCC(=O)N(C)CCOC 1626a_100000743101_100011309844 [0,2,0,0,0,0|2,0,0]=4 7024 B13R0.40 CNC(=O)CCC(=O)N(C)CCOC 240690a_100000743101_100011309844 [0,2,0,0,0,0|2,0,0]=4 7025 B13R0.40 CNC(=O)CCC(=O)N(C)CCOC 527a_100000743101_100011309844 [0,2,0,0,0,0|2,0,0]=4 7026 B13R0.40 CNC(=O)CCC(=O)N(C)CCSC 11a_100000686725_100011309844 [0,2,0,0,0,0|2,0,0]=4 7027 B13R0.40 CNC(=O)CCC(=O)N(C)CCSC 1626a_100000686725_100011309844 [0,2,0,0,0,0|2,0,0]=4 7028 B13R0.40 CNC(=O)CCC(=O)N(C)CCSC 240690a_100000686725_100011309844 [0,2,0,0,0,0|2,0,0]=4 7029 B13R0.40 CNC(=O)CCC(=O)N(C)CCSC 527a_100000686725_100011309844 [0,2,0,0,0,0|2,0,0]=4 7030 B13R0.40 COC(=O)CCC(=O)N(C)CCCO 240690a_100000213112_100000187943 [0,2,0,0,0,0|2,0,0]=4 7031 B13R0.40 COC(=O)CCC(=O)N(C)CCCO 527a_100000213112_100000187943 [0,2,0,0,0,0|2,0,0]=4 7032 B13R0.40 COC(=O)CCC(=O)N(C)CCSC 11a_100000686725_100000187943 [0,2,0,0,0,0|2,0,0]=4 7033 B13R0.40 COC(=O)CCC(=O)N(C)CCSC 1626a_100000686725_100000187943 [0,2,0,0,0,0|2,0,0]=4 7034 B13R0.40 COC(=O)CCC(=O)N(C)CCSC 240690a_100000686725_100000187943 [0,2,0,0,0,0|2,0,0]=4 7035 B13R0.40 COC(=O)CCC(=O)N(C)CCSC 527a_100000686725_100000187943 [0,2,0,0,0,0|2,0,0]=4 7036 B13R0.40 COCCN(C)C(=O)CCC(=O)OC 11a_100000743101_100000187943 [0,2,0,0,0,0|2,0,0]=4 7037 B13R0.40 COCCN(C)C(=O)CCC(=O)OC 1626a_100000743101_100000187943 [0,2,0,0,0,0|2,0,0]=4 7038 B13R0.40 COCCN(C)C(=O)CCC(=O)OC 240690a_100000743101_100000187943 [0,2,0,0,0,0|2,0,0]=4 7039 B13R0.40 COCCN(C)C(=O)CCC(=O)OC 527a_100000743101_100000187943 [0,2,0,0,0,0|2,0,0]=4 7040 B13R0.42 CCCCC(C)C(=O)CCS(=O)(=O)C 1458a_100000725509_100000731031 [0,2,0,0,0,0|2,0,0]=4 7041 B13R0.42 CCCCC(C)C(=O)CCS(=O)(=O)C 1458a_100000737124_200011215066 [0,2,0,0,0,0|2,0,0]=4 7042 B13R0.42 CCCCC(O)C(=O)CCS(=O)(=O)C 1458a_100000720857_100000731031 [0,2,0,0,0,0|2,0,0]=4 7043 B13R0.42 CCCCN(C)C(=O)CCS(=O)(=O)C 11a_100000207549_100000737124 [0,2,0,0,0,0|2,0,0]=4 7044 B13R0.42 CCCCN(C)C(=O)CCS(=O)(=O)C 1626a_100000207549_100000737124 [0,2,0,0,0,0|2,0,0]=4 7045 B13R0.42 CCCCN(C)C(=O)CCS(=O)(=O)C 240690a_100000207549_100000737124 [0,2,0,0,0,0|2,0,0]=4 7046 B13R0.42 CCCCN(C)C(=O)CCS(=O)(=O)C 527a_100000207549_100000737124 [0,2,0,0,0,0|2,0,0]=4 7047 B13R0.73 C=C(C)CCC(=O)N(C)CC(C)CC 11a_100000753921_200000688413 [0,2,0,0,0,0|2,0,0]=4 7048 B13R0.73 C=C(C)CCC(=O)N(C)CC(C)CC 1626a_100000753921_200000688413 [0,2,0,0,0,0|2,0,0]=4 7049 B13R0.73 C=C(C)CCC(=O)N(C)CC(C)CC 240690a_100000753921_200000688413 [0,2,0,0,0,0|2,0,0]=4 7050 B13R0.73 C=C(C)CCC(=O)N(C)CC(C)CC 527a_100000753921_200000688413 [0,2,0,0,0,0|2,0,0]=4 7051 B13R0.73 CCC(C)CN(C)C(=O)CCC(=O)N 240690a_100000753921_100011215257 [0,2,0,0,0,0|2,0,0]=4 7052 B13R0.73 CCC(C)CN(C)C(=O)CCC(=O)N 527a_100000753921_100011215257 [0,2,0,0,0,0|2,0,0]=4 7053 B13R0.73 CCC(C)CN(C)C(=O)CNC(=O)C 11a_100000753921_100000194580 [0,2,0,0,0,0|2,0,0]=4 7054 B13R0.73 CCC(C)CN(C)C(=O)CNC(=O)C 1626a_100000753921_100000194580 [0,2,0,0,0,0|2,0,0]=4 7055 B13R0.73 CCC(C)CN(C)C(=O)CNC(=O)C 240690a_100000753921_100000194580 [0,2,0,0,0,0|2,0,0]=4 7056 B13R0.73 CCC(C)CN(C)C(=O)CNC(=O)C 527a_100000753921_100000194580 [0,2,0,0,0,0|2,0,0]=4 7057 B13R0.73 CCC(C)CN(C)C(=O)COC(=O)C 1626a_100000753921_100000183556 [0,2,0,0,0,0|2,0,0]=4 7058 B13R0.73 CCC(C)CN(C)C(=O)COC(=O)C 240690a_100000753921_100000183556 [0,2,0,0,0,0|2,0,0]=4 7059 B13R0.73 CCC(C)CN(C)C(=O)COC(=O)C 527a_100000753921_100000183556 [0,2,0,0,0,0|2,0,0]=4 7060 B13R0.73 CCC(C)CN(C)C(=O)CSC(=O)C 11a_100000753921_100000049016 [0,2,0,0,0,0|2,0,0]=4 7061 B13R0.73 CCC(C)CN(C)C(=O)CSC(=O)C 1626a_100000753921_100000049016 [0,2,0,0,0,0|2,0,0]=4 7062 B13R0.73 CCC(C)CN(C)C(=O)CSC(=O)C 240690a_100000753921_100000049016 [0,2,0,0,0,0|2,0,0]=4 7063 B13R0.128 CCCCC(C)C(=O)CC(=O)C(=O)C 1458a_100000725509_100011261029 [0,2,0,0,0,0|1,0,1]=4 7064 B13R0.128 CCCCC(C)C(=O)CN(C)C(=O)C 1458a_100000194957_200011215066 [0,2,0,0,0,0|2,0,0]=4 7065 B13R0.128 CCCCC(O)C(=O)CC(=O)C(=O)C 1458a_100000720857_100011261029 [0,2,0,0,0,0|1,0,1]=4 7066 B13R0.128 CCCCN(C)C(=O)CN(C)C(=O)C 11a_100000207549_100000194957 [0,2,0,0,0,0|2,0,0]=4 7067 B13R0.128 CCCCN(C)C(=O)CN(C)C(=O)C 1626a_100000207549_100000194957 [0,2,0,0,0,0|2,0,0]=4 7068 B13R0.128 CCCCN(C)C(=O)CN(C)C(=O)C 240690a_100000207549_100000194957 [0,2,0,0,0,0|2,0,0]=4 7069 B13R0.128 CCCCN(C)C(=O)CN(C)C(=O)C 527a_100000207549_100000194957 [0,2,0,0,0,0|2,0,0]=4 7070 B13R0.378 C=C(C)CCC(=O)C(CC)CCCC 1458a_100000211130_100000730704 [0,2,0,0,0,0|2,0,0]=4 7071 B13R0.378 C=C(C)CCC(=O)C(CC)CCCC 1458a_200000688413_200011216223 [0,2,0,0,0,0|2,0,0]=4 7072 B13R0.378 C=C(C)CCC(=O)N(CC)CCCC 11a_100000207695_200000688413 [0,2,0,0,0,0|2,0,0]=4 7073 B13R0.378 C=C(C)CCC(=O)N(CC)CCCC 1626a_100000207695_200000688413 [0,2,0,0,0,0|2,0,0]=4 7074 B13R0.378 C=C(C)CCC(=O)N(CC)CCCC 240690a_100000207695_200000688413 [0,2,0,0,0,0|2,0,0]=4 7075 B13R0.378 C=C(C)CCC(=O)N(CC)CCCC 527a_100000207695_200000688413 [0,2,0,0,0,0|2,0,0]=4 7076 B13R0.378 CCCCC(CC)C(=O)CCC(=O)N 1458a_100011215257_200011216223 [0,2,0,0,0,0|2,0,0]=4 7077 B13R0.378 CCCCC(CC)C(=O)CNC(=O)C 1458a_100000194580_200011216223 [0,2,0,0,0,0|2,0,0]=4 7078 B13R0.378 CCCCC(CC)C(=O)COC(=O)C 1458a_100000183556_200011216223 [0,2,0,0,0,0|2,0,0]=4 7079 B13R0.378 CCCCC(CC)C(=O)CSC(=O)C 1458a_100000049016_200011216223 [0,2,0,0,0,0|2,0,0]=4 7080 B13R0.378 CCCCN(CC)C(=O)CCC(=O)N 240690a_100000207695_100011215257 [0,2,0,0,0,0|2,0,0]=4 7081 B13R0.378 CCCCN(CC)C(=O)CCC(=O)N 527a_100000207695_100011215257 [0,2,0,0,0,0|2,0,0]=4 7082 B13R0.378 CCCCN(CC)C(=O)CNC(=O)C 11a_100000207695_100000194580 [0,2,0,0,0,0|2,0,0]=4 7083 B13R0.378 CCCCN(CC)C(=O)CNC(=O)C 1626a_100000207695_100000194580 [0,2,0,0,0,0|2,0,0]=4 7084 B13R0.378 CCCCN(CC)C(=O)CNC(=O)C 240690a_100000207695_100000194580 [0,2,0,0,0,0|2,0,0]=4 7085 B13R0.378 CCCCN(CC)C(=O)CNC(=O)C 527a_100000207695_100000194580 [0,2,0,0,0,0|2,0,0]=4 7086 B13R0.378 CCCCN(CC)C(=O)COC(=O)C 1626a_100000207695_100000183556 [0,2,0,0,0,0|2,0,0]=4 7087 B13R0.378 CCCCN(CC)C(=O)COC(=O)C 240690a_100000207695_100000183556 [0,2,0,0,0,0|2,0,0]=4 7088 B13R0.378 CCCCN(CC)C(=O)COC(=O)C 527a_100000207695_100000183556 [0,2,0,0,0,0|2,0,0]=4 7089 B13R0.378 CCCCN(CC)C(=O)CSC(=O)C 11a_100000207695_100000049016 [0,2,0,0,0,0|2,0,0]=4 7090 B13R0.378 CCCCN(CC)C(=O)CSC(=O)C 1626a_100000207695_100000049016 [0,2,0,0,0,0|2,0,0]=4 7091 B13R0.378 CCCCN(CC)C(=O)CSC(=O)C 240690a_100000207695_100000049016 [0,2,0,0,0,0|2,0,0]=4 7092 B13R0.465 CCCCC(C)C(=O)C(C)OC(=O)C 1458a_100000725509_100009818208 [0,2,0,0,0,0|2,0,0]=4 7093 B13R0.465 CCCCC(C)C(=O)[C@@H](C)NC(=O)C 1458a_100011504603_200011215066 [0,2,0,0,0,0|2,0,0]=4 7094 B13R0.465 CCCCC(C)C(=O)[C@H](C)OC(=O)C 1458a_100009816467_200011215066 [0,2,0,0,0,0|2,0,0]=4 7095 B13R0.465 CCCCC(O)C(=O)C(C)OC(=O)C 1458a_100000720857_100009818208 [0,2,0,0,0,0|2,0,0]=4 7096 B13R0.465 CCCCN(C)C(=O)[C@@H](C)NC(=O)C 11a_100000207549_100011504603 [0,2,0,0,0,0|2,0,0]=4 7097 B13R0.465 CCCCN(C)C(=O)[C@@H](C)NC(=O)C 1626a_100000207549_100011504603 [0,2,0,0,0,0|2,0,0]=4 7098 B13R0.465 CCCCN(C)C(=O)[C@@H](C)NC(=O)C 240690a_100000207549_100011504603 [0,2,0,0,0,0|2,0,0]=4 7099 B13R0.465 CCCCN(C)C(=O)[C@@H](C)NC(=O)C 527a_100000207549_100011504603 [0,2,0,0,0,0|2,0,0]=4 7100 B13R0.465 CCCCN(C)C(=O)[C@H](C)OC(=O)C 11a_100000207549_100009816467 [0,2,0,0,0,0|2,0,0]=4 7101 B13R0.465 CCCCN(C)C(=O)[C@H](C)OC(=O)C 1626a_100000207549_100009816467 [0,2,0,0,0,0|2,0,0]=4 7102 B13R0.465 CCCCN(C)C(=O)[C@H](C)OC(=O)C 240690a_100000207549_100009816467 [0,2,0,0,0,0|2,0,0]=4 7103 B13R0.465 CCCCN(C)C(=O)[C@H](C)OC(=O)C 527a_100000207549_100009816467 [0,2,0,0,0,0|2,0,0]=4 7104 B13R0.698 C=C(C)CCC(=O)C(C)(C)CCCC 1458a_100011216040_100000730704 [0,2,0,0,0,0|2,0,0]=4 7105 B13R0.698 C=C(C)CCC(=O)C(C)(O)CCCC 1458a_100000137666_100000730704 [0,2,0,0,0,0|2,0,0]=4 7106 B13R0.698 C=C(C)CCC(=O)C(F)(F)CCCC 1458a_100000100317_100000730704 [0,2,0,0,0,0|2,0,0]=4 7107 B13R0.25 CCCC(C)CC(=O)CC(=O)C(=O)C 1458a_100000748435_100011261029 [0,2,0,0,0,0|1,0,1]=4 7108 B13R0.25 CCCC(C)CC(=O)CN(C)C(=O)C 1458a_100000194957_100011216630 [0,2,0,0,0,0|2,0,0]=4 7109 B13R0.25 CCCC(C)NC(=O)CN(C)C(=O)C 11a_100000741246_100000194957 [0,2,0,0,0,0|2,0,0]=4 7110 B13R0.25 CCCC(C)NC(=O)CN(C)C(=O)C 1626a_100000741246_100000194957 [0,2,0,0,0,0|2,0,0]=4 7111 B13R0.25 CCCC(C)NC(=O)CN(C)C(=O)C 240690a_100000741246_100000194957 [0,2,0,0,0,0|2,0,0]=4 7112 B13R0.25 CCCC(C)NC(=O)CN(C)C(=O)C 527a_100000741246_100000194957 [0,2,0,0,0,0|2,0,0]=4 7113 B13R0.190 C=C(C)C(=O)C(C)C(=O)OCCCC 1458a_100000185857_100000759602 [0,2,0,0,0,0|1,0,1]=4 7114 B13R0.284 C=C(C)C(=O)CC(=O)OCCOCC 1458a_100000185857_200000101388 [0,2,0,0,0,0|1,0,1]=4 7115 B13R0.284 CC(=O)C(=O)CC(=O)CCCCCO 1458a_100102619762_100011261029 [0,2,0,0,0,0|1,0,1]=4 7116 B13R0.284 CC(=O)N(C)CC(=O)CCCCCF 1458a_100000194957_100000729378 [0,2,0,0,0,0|2,0,0]=4 7117 B13R0.284 CC(=O)N(C)CC(=O)CCCCCO 1458a_100000194957_100000746330 [0,2,0,0,0,0|2,0,0]=4 7118 B13R0.284 CC(=O)N(C)CC(=O)NCCCCO 240690a_100000750430_100000194957 [0,2,0,0,0,0|2,0,0]=4 7119 B13R0.284 CC(=O)N(C)CC(=O)NCCCCO 527a_100000750430_100000194957 [0,2,0,0,0,0|2,0,0]=4 7120 B13R0.284 CCCCC=CC(=O)CC(=O)C(=O)C 1458a_100016266645_100011261029 [0,2,0,0,0,0|1,0,1]=4 7121 B13R0.284 CCCCCCC(=O)CC(=O)C(=O)C 1458a_100102632555_100011261029 [0,2,0,0,0,0|1,0,1]=4 7122 B13R0.284 CCCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210757 [0,2,0,0,0,0|2,0,0]=4 7123 B13R0.284 CCCCCNC(=O)CN(C)C(=O)C 11a_100000209983_100000194957 [0,2,0,0,0,0|2,0,0]=4 7124 B13R0.284 CCCCCNC(=O)CN(C)C(=O)C 1626a_100000209983_100000194957 [0,2,0,0,0,0|2,0,0]=4 7125 B13R0.284 CCCCCNC(=O)CN(C)C(=O)C 240690a_100000209983_100000194957 [0,2,0,0,0,0|2,0,0]=4 7126 B13R0.284 CCCCCNC(=O)CN(C)C(=O)C 527a_100000209983_100000194957 [0,2,0,0,0,0|2,0,0]=4 7127 B13R0.284 CCCCNNC(=O)CN(C)C(=O)C 22a_100025702795_100000194957 [0,2,0,0,0,0|2,0,0]=4 7128 B13R0.284 CCCCOCC(=O)CC(=O)C(=O)C 1458a_100000757543_100011261029 [0,2,0,0,0,0|0,0,1]=3 7129 B13R0.284 CCCCOCC(=O)CC(C)N(C)C 1458a_100011311895_100011995733 [0,2,0,0,0,0|2,0,0]=4 7130 B13R0.284 CCCCOCC(=O)CN(C)C(=O)C 1458a_100000194957_100011995733 [0,2,0,0,0,0|1,0,0]=3 7131 B13R0.284 CCCCOCC(=O)CN(C)C(=O)N 1458a_100000218718_100011995733 [0,2,0,0,0,0|2,0,0]=4 7132 B13R0.284 CCCCOCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000757543 [0,2,0,0,0,0|2,0,0]=4 7133 B13R0.284 CCCCOCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000757543 [0,2,0,0,0,0|2,0,0]=4 7134 B13R0.284 CCCCOCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000757543 [0,2,0,0,0,0|2,0,0]=4 7135 B13R0.284 CCCCSCC(=O)CC(=O)C(=O)C 1458a_100000191162_100011261029 [0,2,0,0,0,0|0,1,1]=4 7136 B13R0.284 CCCOCCC(=O)CN(C)C(=O)C 1458a_100000194957_100011215938 [0,2,0,0,0,0|2,0,0]=4 7137 B13R0.284 CCOCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100012232248 [0,2,0,0,0,0|2,0,0]=4 7138 B13R0.284 CCOCCNC(=O)CN(C)C(=O)C 11a_100011200944_100000194957 [0,2,0,0,0,0|2,0,0]=4 7139 B13R0.284 CCOCCNC(=O)CN(C)C(=O)C 1626a_102516460346_100000194957 [0,2,0,0,0,0|2,0,0]=4 7140 B13R0.284 CCOCCNC(=O)CN(C)C(=O)C 240690a_100011200944_100000194957 [0,2,0,0,0,0|2,0,0]=4 7141 B13R0.284 CCOCCNC(=O)CN(C)C(=O)C 527a_100011200944_100000194957 [0,2,0,0,0,0|2,0,0]=4 7142 B13R0.284 CCSCCNC(=O)CN(C)C(=O)C 11a_100000106463_100000194957 [0,2,0,0,0,0|2,0,0]=4 7143 B13R0.284 CCSCCNC(=O)CN(C)C(=O)C 1626a_100000106463_100000194957 [0,2,0,0,0,0|2,0,0]=4 7144 B13R0.284 CCSCCNC(=O)CN(C)C(=O)C 240690a_100000106463_100000194957 [0,2,0,0,0,0|2,0,0]=4 7145 B13R0.284 CCSCCNC(=O)CN(C)C(=O)C 527a_100000106463_100000194957 [0,2,0,0,0,0|2,0,0]=4 7146 B13R0.284 COCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000755781 [0,2,0,0,0,0|2,0,0]=4 7147 B13R0.284 COCCCNC(=O)CN(C)C(=O)C 11a_100000168148_100015343762 [0,2,0,0,0,0|2,0,0]=4 7148 B13R0.284 COCCCNC(=O)CN(C)C(=O)C 1626a_100000168148_100015343762 [0,2,0,0,0,0|2,0,0]=4 7149 B13R0.284 COCCCNC(=O)CN(C)C(=O)C 1626a_100150723488_100000194957 [0,2,0,0,0,0|2,0,0]=4 7150 B13R0.284 COCCCNC(=O)CN(C)C(=O)C 240690a_100000168148_100015343762 [0,2,0,0,0,0|2,0,0]=4 7151 B13R0.284 COCCCNC(=O)CN(C)C(=O)C 240690a_100150723488_100000194957 [0,2,0,0,0,0|2,0,0]=4 7152 B13R0.284 COCCCNC(=O)CN(C)C(=O)C 527a_100000168148_100103153847 [0,2,0,0,0,0|2,0,0]=4 7153 B13R0.284 COCCCNC(=O)CN(C)C(=O)C 527a_100150723488_100000194957 [0,2,0,0,0,0|2,0,0]=4 7154 B13R0.284 COCCOCC(=O)CC(=O)C(=O)C 1458a_100000211095_100011261029 [0,2,0,0,0,0|1,0,1]=4 7155 B13R0.284 CSCCCNC(=O)CN(C)C(=O)C 11a_100000749238_100000194957 [0,2,0,0,0,0|2,0,0]=4 7156 B13R0.284 CSCCCNC(=O)CN(C)C(=O)C 1626a_100000749238_100000194957 [0,2,0,0,0,0|2,0,0]=4 7157 B13R0.284 CSCCCNC(=O)CN(C)C(=O)C 240690a_100000749238_100000194957 [0,2,0,0,0,0|2,0,0]=4 7158 B13R0.284 CSCCCNC(=O)CN(C)C(=O)C 527a_100000749238_100000194957 [0,2,0,0,0,0|2,0,0]=4 7159 B13R0.434 CCC(C)CCC(=O)CC(=O)C(=O)C 1458a_100000701222_100011261029 [0,2,0,0,0,0|1,0,1]=4 7160 B13R0.434 CCC(C)CNC(=O)CN(C)C(=O)C 11a_100020588543_100000194957 [0,2,0,0,0,0|2,0,0]=4 7161 B13R0.434 CCC(C)CNC(=O)CN(C)C(=O)C 1626a_100020588543_100000194957 [0,2,0,0,0,0|2,0,0]=4 7162 B13R0.434 CCC(C)CNC(=O)CN(C)C(=O)C 240690a_100020588543_100000194957 [0,2,0,0,0,0|2,0,0]=4 7163 B13R0.434 CCC(C)CNC(=O)CN(C)C(=O)C 527a_100020588543_100000194957 [0,2,0,0,0,0|2,0,0]=4 7164 B13R0.434 CCC(O)CNC(=O)CN(C)C(=O)C 11a_100011218483_100000194957 [0,2,0,0,0,0|2,0,0]=4 7165 B13R0.434 CCC(O)CNC(=O)CN(C)C(=O)C 240690a_100011218483_100000194957 [0,2,0,0,0,0|2,0,0]=4 7166 B13R0.434 CCC(O)CNC(=O)CN(C)C(=O)C 527a_100011218483_100000194957 [0,2,0,0,0,0|2,0,0]=4 7167 B13R0.1293 C/C=C(\C)/C(=O)CC(=O)OCCCC 1458a_100020587367_100000211628 [0,2,0,0,0,0|1,0,1]=4 7168 B13R0.1293 C=C(CC(=O)OCCCC)C(=O)NC 1626a_100102657272_100000049090 [0,2,0,0,0,0|0,0,1]=3 7169 B13R0.1293 C=C(CC(=O)OCCCC)C(=O)NC 240690a_100102657272_100000049090 [0,2,0,0,0,0|0,0,1]=3 7170 B13R0.1293 CCCCCC(=O)CC(=O)C(=O)NC 1458a_100011218921_200012276598 [0,2,0,0,0,0|1,0,1]=4 7171 B13R0.1293 CCCCCC(=O)N[C@H](C)C(=O)NC 11a_100000684985_100000212188 [0,2,0,0,0,0|2,0,0]=4 7172 B13R0.1293 CCCCCC(=O)N[C@H](C)C(=O)NC 240690a_100000684985_100000212188 [0,2,0,0,0,0|2,0,0]=4 7173 B13R0.1293 CCCCCC(=O)N[C@H](C)C(=O)NC 527a_100000684985_100000212188 [0,2,0,0,0,0|2,0,0]=4 7174 B13R0.1293 CCCCCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000212188 [0,2,0,0,0,0|2,0,0]=4 7175 B13R0.1293 CCCCNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000182744 [0,2,0,0,0,0|1,0,1]=4 7176 B13R0.1293 CCCCNC(=O)CN(C)C(=O)CC 1626a_200000213093_100000210414 [0,2,0,0,0,0|2,0,0]=4 7177 B13R0.1293 CCCCNC(=O)CN(C)C(=O)CC 240690a_200000213093_100000210414 [0,2,0,0,0,0|2,0,0]=4 7178 B13R0.1293 CCCCNC(=O)CN(C)C(=O)CC 527a_200000213093_100000210414 [0,2,0,0,0,0|2,0,0]=4 7179 B13R0.1293 CCCCNC(=O)CN(C)C(=O)CO 240690a_200000213093_100000210174 [0,2,0,0,0,0|2,0,0]=4 7180 B13R0.1293 CCCCNC(=O)CN(C)C(=O)CO 527a_200000213093_100000210174 [0,2,0,0,0,0|2,0,0]=4 7181 B13R0.1293 CCCCNC(=O)CN(C)C(=O)NC 2708a_100102657272_200000213093 [0,2,0,0,0,0|2,0,0]=4 7182 B13R0.1293 CCCCNC(=O)CN(C)C(=O)NC 273464a_100102657272_200000213093 [0,2,0,0,0,0|2,0,0]=4 7183 B13R0.1293 CCCCNC(=O)N[C@H](C)C(=O)NC 2708a_100000102301_100000684985 [0,2,0,0,0,0|2,0,0]=4 7184 B13R0.1293 CCCCNC(=O)N[C@H](C)C(=O)NC 273464a_100000684985_100000102301 [0,2,0,0,0,0|2,0,0]=4 7185 B13R0.1293 CCCCNC(=O)N[C@H](C)C(=O)NC 512a_100000102301_100000684985 [0,2,0,0,0,0|2,0,0]=4 7186 B13R0.1293 CCCCNC(=O)N[C@H](C)C(=O)NC 512a_100000684985_100000102301 [0,2,0,0,0,0|2,0,0]=4 7187 B13R0.1293 CCCCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000211628 [0,2,0,0,0,0|0,0,1]=3 7188 B13R0.1293 CNC(=O)C(=O)CC(=O)OCCOC 1458a_100011218921_200000040189 [0,2,0,0,0,0|1,0,1]=4 7189 B13R0.55 CCCC(C)CC(=O)C(C)OC(=O)C 1458a_100000748435_100009818208 [0,2,0,0,0,0|2,0,0]=4 7190 B13R0.55 CCCC(C)CC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100011216630 [0,2,0,0,0,0|2,0,0]=4 7191 B13R0.55 CCCC(C)CC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011216630 [0,2,0,0,0,0|2,0,0]=4 7192 B13R0.55 CCCC(C)NC(=O)[C@@H](C)NC(=O)C 11a_100000741246_100011504603 [0,2,0,0,0,0|2,0,0]=4 7193 B13R0.55 CCCC(C)NC(=O)[C@@H](C)NC(=O)C 1626a_100000741246_100011504603 [0,2,0,0,0,0|2,0,0]=4 7194 B13R0.55 CCCC(C)NC(=O)[C@@H](C)NC(=O)C 240690a_100000741246_100011504603 [0,2,0,0,0,0|2,0,0]=4 7195 B13R0.55 CCCC(C)NC(=O)[C@@H](C)NC(=O)C 527a_100000741246_100011504603 [0,2,0,0,0,0|2,0,0]=4 7196 B13R0.55 CCCC(C)NC(=O)[C@H](C)OC(=O)C 11a_100000741246_100009816467 [0,2,0,0,0,0|2,0,0]=4 7197 B13R0.55 CCCC(C)NC(=O)[C@H](C)OC(=O)C 1626a_100000741246_100009816467 [0,2,0,0,0,0|2,0,0]=4 7198 B13R0.55 CCCC(C)NC(=O)[C@H](C)OC(=O)C 240690a_100000741246_100009816467 [0,2,0,0,0,0|2,0,0]=4 7199 B13R0.55 CCCC(C)NC(=O)[C@H](C)OC(=O)C 527a_100000741246_100009816467 [0,2,0,0,0,0|2,0,0]=4 7200 B13R0.151 C=C(CC(=O)OC)C(=O)NCCCC 1626a_100000102301_100000040833 [0,2,0,0,0,0|1,0,1]=4 7201 B13R0.151 CCCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210326 [0,2,0,0,0,0|1,0,0]=3 7202 B13R0.151 CCCCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210326 [0,2,0,0,0,0|2,0,0]=4 7203 B13R0.151 CCCCCC(=O)N(C)CC(=O)NC 11a_100000189611_100000212188 [0,2,0,0,0,0|2,0,0]=4 7204 B13R0.151 CCCCCC(=O)N(C)CC(=O)NC 240690a_100000189611_100000212188 [0,2,0,0,0,0|2,0,0]=4 7205 B13R0.151 CCCCCC(=O)N(C)CC(=O)NC 527a_100000189611_100000212188 [0,2,0,0,0,0|2,0,0]=4 7206 B13R0.151 CCCCCC(=O)N(C)CC(=O)OC 11a_100000198492_100000212188 [0,2,0,0,0,0|2,0,0]=4 7207 B13R0.151 CCCCCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000212188 [0,2,0,0,0,0|2,0,0]=4 7208 B13R0.151 CCCCCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000212188 [0,2,0,0,0,0|2,0,0]=4 7209 B13R0.151 CCCCCC(=O)N(C)CC(=O)OC 527a_100000198492_100000212188 [0,2,0,0,0,0|2,0,0]=4 7210 B13R0.151 CCCCNC(=O)C(C)CC(=O)OC 1626a_100000102301_100000037256 [0,2,0,0,0,0|1,0,0]=3 7211 B13R0.151 CCCCNC(=O)C(C)CC(=O)OC 240690a_100000102301_100000037256 [0,2,0,0,0,0|1,0,0]=3 7212 B13R0.151 CCCCNC(=O)C(C)CC(=O)OC 527a_100000102301_100000037256 [0,2,0,0,0,0|1,0,0]=3 7213 B13R0.151 CCCCNC(=O)C(C)NC(=O)CC 11a_100000102301_100000194823 [0,2,0,0,0,0|2,0,0]=4 7214 B13R0.151 CCCCNC(=O)C(C)NC(=O)CC 1626a_100000102301_100000194823 [0,2,0,0,0,0|2,0,0]=4 7215 B13R0.151 CCCCNC(=O)C(C)NC(=O)CC 240690a_100000102301_100000194823 [0,2,0,0,0,0|2,0,0]=4 7216 B13R0.151 CCCCNC(=O)C(C)NC(=O)CC 527a_100000102301_100000194823 [0,2,0,0,0,0|2,0,0]=4 7217 B13R0.151 CCCCNC(=O)N(C)CC(=O)NC 2708a_100000102301_100000189611 [0,2,0,0,0,0|2,0,0]=4 7218 B13R0.151 CCCNNC(=O)C(C)CC(=O)OC 22a_100000740057_100000037256 [0,2,0,0,0,0|2,0,0]=4 7219 B13R0.151 CCOCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100011215890 [0,2,0,0,0,0|2,0,0]=4 7220 B13R0.151 CCSCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000757381 [0,2,0,0,0,0|2,0,0]=4 7221 B13R0.151 COC(=O)CC(C)C(=O)CCCCF 1458a_100000037256_100000729493 [0,2,0,0,0,0|2,0,0]=4 7222 B13R0.151 COC(=O)CC(C)C(=O)CCCCO 1458a_100000037256_100000210776 [0,2,0,0,0,0|2,0,0]=4 7223 B13R0.151 COC(=O)CC(C)C(=O)NCCCF 1626a_100015189416_100000037256 [0,2,0,0,0,0|2,0,0]=4 7224 B13R0.151 COC(=O)CC(C)C(=O)NCCCF 240690a_100015189416_100000037256 [0,2,0,0,0,0|2,0,0]=4 7225 B13R0.151 COC(=O)CC(C)C(=O)NCCCF 527a_100015189416_100000037256 [0,2,0,0,0,0|2,0,0]=4 7226 B13R0.151 COC(=O)CC(C)C(=O)NCCCO 240690a_100000182051_100000037256 [0,2,0,0,0,0|2,0,0]=4 7227 B13R0.151 COC(=O)CC(C)C(=O)NCCCO 527a_100000182051_100000037256 [0,2,0,0,0,0|2,0,0]=4 7228 B13R0.151 COC(=O)CC(C)C(=O)NCCSC 1626a_100020590264_100000037256 [0,2,0,0,0,0|2,0,0]=4 7229 B13R0.151 COC(=O)CC(C)C(=O)NCCSC 240690a_100020590264_100000037256 [0,2,0,0,0,0|2,0,0]=4 7230 B13R0.151 COC(=O)CC(C)C(=O)NCCSC 527a_100020590264_100000037256 [0,2,0,0,0,0|2,0,0]=4 7231 B13R0.151 COCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000740836 [0,2,0,0,0,0|2,0,0]=4 7232 B13R0.151 COCCNC(=O)C(C)CC(=O)OC 1626a_100000209980_100000037256 [0,2,0,0,0,0|2,0,0]=4 7233 B13R0.151 COCCNC(=O)C(C)CC(=O)OC 240690a_100000209980_100000037256 [0,2,0,0,0,0|2,0,0]=4 7234 B13R0.151 COCCNC(=O)C(C)CC(=O)OC 527a_100000209980_100000037256 [0,2,0,0,0,0|2,0,0]=4 7235 B13R0.187 CCCCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210326 [0,2,0,0,0,0|2,0,0]=4 7236 B13R0.187 CCCCCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210326 [0,2,0,0,0,0|2,0,0]=4 7237 B13R0.187 CCCCNC(=O)C(CC)NC(=O)C 11a_100000102301_100000195128 [0,2,0,0,0,0|2,0,0]=4 7238 B13R0.187 CCCCNC(=O)C(CC)NC(=O)C 1626a_100000102301_100000195128 [0,2,0,0,0,0|2,0,0]=4 7239 B13R0.187 CCCCNC(=O)C(CC)NC(=O)C 240690a_100000102301_100000195128 [0,2,0,0,0,0|2,0,0]=4 7240 B13R0.187 CCCCNC(=O)C(CC)NC(=O)C 527a_100000102301_100000195128 [0,2,0,0,0,0|2,0,0]=4 7241 B13R0.187 CCCCNC(=O)C(CO)NC(=O)C 240690a_100000102301_200011194110 [0,2,0,0,0,0|2,0,0]=4 7242 B13R0.394 CCCCCC(=O)C(C)(C)NC(=O)C 1458a_100000750020_100000210326 [0,2,0,0,0,0|2,0,0]=4 7243 B13R0.394 CCCCCC(=O)C(C)(C)OC(=O)C 1458a_200000137501_100000210326 [0,2,0,0,0,0|2,0,0]=4 7244 B13R0.394 CCCCNC(=O)C(C)(C)NC(=O)C 11a_100000102301_100000750020 [0,2,0,0,0,0|2,0,0]=4 7245 B13R0.394 CCCCNC(=O)C(C)(C)NC(=O)C 240690a_100000102301_100000750020 [0,2,0,0,0,0|2,0,0]=4 7246 B13R0.394 CCCCNC(=O)C(C)(C)NC(=O)C 527a_100000102301_100000750020 [0,2,0,0,0,0|2,0,0]=4 7247 B13R0.394 CCCCNC(=O)C(C)(C)OC(=O)C 1626a_100000102301_200000137501 [0,2,0,0,0,0|2,0,0]=4 7248 B13R0.394 CCCCNC(=O)C(C)(C)OC(=O)C 240690a_100000102301_200000137501 [0,2,0,0,0,0|2,0,0]=4 7249 B13R0.394 CCCCNC(=O)C(C)(C)OC(=O)C 527a_100000102301_200000137501 [0,2,0,0,0,0|2,0,0]=4 7250 B13R0.438 C=C(C)CN(C)C(=O)COCCCC 11a_100000225649_100000757543 [0,2,0,0,0,0|2,0,0]=4 7251 B13R0.438 C=C(C)CN(C)C(=O)COCCCC 1626a_100000225649_100000757543 [0,2,0,0,0,0|2,0,0]=4 7252 B13R0.438 C=C(C)CN(C)C(=O)COCCCC 527a_100000225649_100000757543 [0,2,0,0,0,0|2,0,0]=4 7253 B13R0.438 CC(=O)N[C@H](C)C(=O)CCCCCF 1458a_100011504603_100000729378 [0,2,0,0,0,0|2,0,0]=4 7254 B13R0.438 CC(=O)N[C@H](C)C(=O)CCCCCO 1458a_100011504603_100000746330 [0,2,0,0,0,0|2,0,0]=4 7255 B13R0.438 CC(=O)N[C@H](C)C(=O)NCCCCO 240690a_100000750430_100011504603 [0,2,0,0,0,0|2,0,0]=4 7256 B13R0.438 CC(=O)N[C@H](C)C(=O)NCCCCO 527a_100000750430_100011504603 [0,2,0,0,0,0|2,0,0]=4 7257 B13R0.438 CC(=O)OC(C)C(=O)CCCCCO 1458a_100102619762_100009818208 [0,2,0,0,0,0|2,0,0]=4 7258 B13R0.438 CC(=O)O[C@@H](C)C(=O)CCCCCF 1458a_100009816467_100000729378 [0,2,0,0,0,0|2,0,0]=4 7259 B13R0.438 CC(=O)O[C@@H](C)C(=O)CCCCCO 1458a_100009816467_100000746330 [0,2,0,0,0,0|2,0,0]=4 7260 B13R0.438 CC(=O)O[C@@H](C)C(=O)NCCCCO 240690a_100000750430_100009816467 [0,2,0,0,0,0|2,0,0]=4 7261 B13R0.438 CC(=O)O[C@@H](C)C(=O)NCCCCO 527a_100000750430_100009816467 [0,2,0,0,0,0|2,0,0]=4 7262 B13R0.438 CCCCC=CC(=O)C(C)OC(=O)C 1458a_100016266645_100009818208 [0,2,0,0,0,0|2,0,0]=4 7263 B13R0.438 CCCCCCC(=O)C(C)OC(=O)C 1458a_100102632555_100009818208 [0,2,0,0,0,0|2,0,0]=4 7264 B13R0.438 CCCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210757 [0,2,0,0,0,0|2,0,0]=4 7265 B13R0.438 CCCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210757 [0,2,0,0,0,0|2,0,0]=4 7266 B13R0.438 CCCCCNC(=O)[C@@H](C)NC(=O)C 11a_100000209983_100011504603 [0,2,0,0,0,0|2,0,0]=4 7267 B13R0.438 CCCCCNC(=O)[C@@H](C)NC(=O)C 1626a_100000209983_100011504603 [0,2,0,0,0,0|2,0,0]=4 7268 B13R0.438 CCCCCNC(=O)[C@@H](C)NC(=O)C 240690a_100000209983_100011504603 [0,2,0,0,0,0|2,0,0]=4 7269 B13R0.438 CCCCCNC(=O)[C@@H](C)NC(=O)C 527a_100000209983_100011504603 [0,2,0,0,0,0|2,0,0]=4 7270 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 11a_100000209983_100009816467 [0,2,0,0,0,0|2,0,0]=4 7271 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 1626a_100000209983_100009816467 [0,2,0,0,0,0|2,0,0]=4 7272 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 240690a_100000209983_100009816467 [0,2,0,0,0,0|2,0,0]=4 7273 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 527a_100000209983_100009816467 [0,2,0,0,0,0|2,0,0]=4 7274 B13R0.438 CCCCNNC(=O)[C@@H](C)NC(=O)C 22a_100025702795_100011504603 [0,2,0,0,0,0|2,0,0]=4 7275 B13R0.438 CCCCOCC(=O)C(C)CC(C)C 1458a_100000757543_100000731052 [0,2,0,0,0,0|1,0,1]=4 7276 B13R0.438 CCCCOCC(=O)C(C)CN(C)C 1458a_200015186601_100011995733 [0,2,0,0,0,0|2,0,0]=4 7277 B13R0.438 CCCCOCC(=O)C(C)OC(=O)C 1458a_100000757543_100009818208 [0,2,0,0,0,0|1,0,0]=3 7278 B13R0.438 CCCCOCC(=O)N(C)CC(=O)N 11a_100000739694_100000757543 [0,2,0,0,0,0|2,0,0]=4 7279 B13R0.438 CCCCOCC(=O)N(C)CC(=O)N 527a_100000739694_100000757543 [0,2,0,0,0,0|2,0,0]=4 7280 B13R0.438 CCCCOCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100011995733 [0,2,0,0,0,0|1,0,0]=3 7281 B13R0.438 CCCCOCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100011995733 [0,2,0,0,0,0|1,0,1]=4 7282 B13R0.438 CCCCOCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011995733 [0,2,0,0,0,0|1,0,0]=3 7283 B13R0.438 CCCCSCC(=O)C(C)OC(=O)C 1458a_100000191162_100009818208 [0,2,0,0,0,0|1,1,0]=4 7284 B13R0.438 CCCOCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100011215938 [0,2,0,0,0,0|2,0,0]=4 7285 B13R0.438 CCCOCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011215938 [0,2,0,0,0,0|2,0,0]=4 7286 B13R0.438 CCOCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100012232248 [0,2,0,0,0,0|2,0,0]=4 7287 B13R0.438 CCOCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100012232248 [0,2,0,0,0,0|2,0,0]=4 7288 B13R0.438 CCOCCNC(=O)[C@@H](C)NC(=O)C 11a_100011200944_100011504603 [0,2,0,0,0,0|2,0,0]=4 7289 B13R0.438 CCOCCNC(=O)[C@@H](C)NC(=O)C 1626a_102516460346_100011504603 [0,2,0,0,0,0|2,0,0]=4 7290 B13R0.438 CCOCCNC(=O)[C@@H](C)NC(=O)C 240690a_100011200944_100011504603 [0,2,0,0,0,0|2,0,0]=4 7291 B13R0.438 CCOCCNC(=O)[C@@H](C)NC(=O)C 527a_100011200944_100011504603 [0,2,0,0,0,0|2,0,0]=4 7292 B13R0.438 CCOCCNC(=O)[C@H](C)OC(=O)C 11a_100011200944_100009816467 [0,2,0,0,0,0|2,0,0]=4 7293 B13R0.438 CCOCCNC(=O)[C@H](C)OC(=O)C 1626a_102516460346_100009816467 [0,2,0,0,0,0|2,0,0]=4 7294 B13R0.438 CCOCCNC(=O)[C@H](C)OC(=O)C 240690a_100011200944_100009816467 [0,2,0,0,0,0|2,0,0]=4 7295 B13R0.438 CCOCCNC(=O)[C@H](C)OC(=O)C 527a_100011200944_100009816467 [0,2,0,0,0,0|2,0,0]=4 7296 B13R0.438 CCSCCNC(=O)[C@@H](C)NC(=O)C 11a_100000106463_100011504603 [0,2,0,0,0,0|2,0,0]=4 7297 B13R0.438 CCSCCNC(=O)[C@@H](C)NC(=O)C 1626a_100000106463_100011504603 [0,2,0,0,0,0|2,0,0]=4 7298 B13R0.438 CCSCCNC(=O)[C@@H](C)NC(=O)C 240690a_100000106463_100011504603 [0,2,0,0,0,0|2,0,0]=4 7299 B13R0.438 CCSCCNC(=O)[C@@H](C)NC(=O)C 527a_100000106463_100011504603 [0,2,0,0,0,0|2,0,0]=4 7300 B13R0.438 CCSCCNC(=O)[C@H](C)OC(=O)C 11a_100000106463_100009816467 [0,2,0,0,0,0|2,0,0]=4 7301 B13R0.438 CCSCCNC(=O)[C@H](C)OC(=O)C 1626a_100000106463_100009816467 [0,2,0,0,0,0|2,0,0]=4 7302 B13R0.438 CCSCCNC(=O)[C@H](C)OC(=O)C 240690a_100000106463_100009816467 [0,2,0,0,0,0|2,0,0]=4 7303 B13R0.438 CCSCCNC(=O)[C@H](C)OC(=O)C 527a_100000106463_100009816467 [0,2,0,0,0,0|2,0,0]=4 7304 B13R0.438 COCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000755781 [0,2,0,0,0,0|2,0,0]=4 7305 B13R0.438 COCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000755781 [0,2,0,0,0,0|2,0,0]=4 7306 B13R0.438 COCCCNC(=O)[C@@H](C)NC(=O)C 1626a_100150723488_100011504603 [0,2,0,0,0,0|2,0,0]=4 7307 B13R0.438 COCCCNC(=O)[C@@H](C)NC(=O)C 240690a_100150723488_100011504603 [0,2,0,0,0,0|2,0,0]=4 7308 B13R0.438 COCCCNC(=O)[C@@H](C)NC(=O)C 527a_100150723488_100011504603 [0,2,0,0,0,0|2,0,0]=4 7309 B13R0.438 COCCCNC(=O)[C@H](C)OC(=O)C 1626a_100150723488_100009816467 [0,2,0,0,0,0|2,0,0]=4 7310 B13R0.438 COCCCNC(=O)[C@H](C)OC(=O)C 240690a_100150723488_100009816467 [0,2,0,0,0,0|2,0,0]=4 7311 B13R0.438 COCCCNC(=O)[C@H](C)OC(=O)C 527a_100150723488_100009816467 [0,2,0,0,0,0|2,0,0]=4 7312 B13R0.438 COCCOCC(=O)C(C)OC(=O)C 1458a_100000211095_100009818208 [0,2,0,0,0,0|2,0,0]=4 7313 B13R0.438 CSCCCNC(=O)[C@@H](C)NC(=O)C 11a_100000749238_100011504603 [0,2,0,0,0,0|2,0,0]=4 7314 B13R0.438 CSCCCNC(=O)[C@@H](C)NC(=O)C 1626a_100000749238_100011504603 [0,2,0,0,0,0|2,0,0]=4 7315 B13R0.438 CSCCCNC(=O)[C@@H](C)NC(=O)C 240690a_100000749238_100011504603 [0,2,0,0,0,0|2,0,0]=4 7316 B13R0.438 CSCCCNC(=O)[C@@H](C)NC(=O)C 527a_100000749238_100011504603 [0,2,0,0,0,0|2,0,0]=4 7317 B13R0.438 CSCCCNC(=O)[C@H](C)OC(=O)C 11a_100000749238_100009816467 [0,2,0,0,0,0|2,0,0]=4 7318 B13R0.438 CSCCCNC(=O)[C@H](C)OC(=O)C 1626a_100000749238_100009816467 [0,2,0,0,0,0|2,0,0]=4 7319 B13R0.438 CSCCCNC(=O)[C@H](C)OC(=O)C 240690a_100000749238_100009816467 [0,2,0,0,0,0|2,0,0]=4 7320 B13R0.438 CSCCCNC(=O)[C@H](C)OC(=O)C 527a_100000749238_100009816467 [0,2,0,0,0,0|2,0,0]=4 7321 B13R0.480 CCC(C)CCC(=O)C(C)OC(=O)C 1458a_100000701222_100009818208 [0,2,0,0,0,0|2,0,0]=4 7322 B13R0.480 CCC(C)CNC(=O)[C@@H](C)NC(=O)C 11a_100020588543_100011504603 [0,2,0,0,0,0|2,0,0]=4 7323 B13R0.480 CCC(C)CNC(=O)[C@@H](C)NC(=O)C 1626a_100020588543_100011504603 [0,2,0,0,0,0|2,0,0]=4 7324 B13R0.480 CCC(C)CNC(=O)[C@@H](C)NC(=O)C 240690a_100020588543_100011504603 [0,2,0,0,0,0|2,0,0]=4 7325 B13R0.480 CCC(C)CNC(=O)[C@@H](C)NC(=O)C 527a_100020588543_100011504603 [0,2,0,0,0,0|2,0,0]=4 7326 B13R0.480 CCC(C)CNC(=O)[C@H](C)OC(=O)C 11a_100020588543_100009816467 [0,2,0,0,0,0|2,0,0]=4 7327 B13R0.480 CCC(C)CNC(=O)[C@H](C)OC(=O)C 1626a_100020588543_100009816467 [0,2,0,0,0,0|2,0,0]=4 7328 B13R0.480 CCC(C)CNC(=O)[C@H](C)OC(=O)C 240690a_100020588543_100009816467 [0,2,0,0,0,0|2,0,0]=4 7329 B13R0.480 CCC(C)CNC(=O)[C@H](C)OC(=O)C 527a_100020588543_100009816467 [0,2,0,0,0,0|2,0,0]=4 7330 B13R0.480 CCC(O)CNC(=O)[C@@H](C)NC(=O)C 11a_100011218483_100011504603 [0,2,0,0,0,0|2,0,0]=4 7331 B13R0.480 CCC(O)CNC(=O)[C@@H](C)NC(=O)C 240690a_100011218483_100011504603 [0,2,0,0,0,0|2,0,0]=4 7332 B13R0.480 CCC(O)CNC(=O)[C@@H](C)NC(=O)C 527a_100011218483_100011504603 [0,2,0,0,0,0|2,0,0]=4 7333 B13R0.480 CCC(O)CNC(=O)[C@H](C)OC(=O)C 11a_100011218483_100009816467 [0,2,0,0,0,0|2,0,0]=4 7334 B13R0.480 CCC(O)CNC(=O)[C@H](C)OC(=O)C 240690a_100011218483_100009816467 [0,2,0,0,0,0|2,0,0]=4 7335 B13R0.480 CCC(O)CNC(=O)[C@H](C)OC(=O)C 527a_100011218483_100009816467 [0,2,0,0,0,0|2,0,0]=4 7336 B13R0.193 C#CCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000184674 [0,2,0,0,0,0|1,0,1]=4 7337 B13R0.193 C=CCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210623 [0,2,0,0,0,0|1,0,1]=4 7338 B13R0.193 CCCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210303 [0,2,0,0,0,0|1,0,1]=4 7339 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,2,0,0,0,0|1,0,0]=3 7340 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,2,0,0,0,0|1,0,0]=3 7341 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,2,0,0,0,0|2,0,0]=4 7342 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,2,0,0,0,0|2,0,0]=4 7343 B13R0.193 CCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000212188 [0,2,0,0,0,0|2,0,0]=4 7344 B13R0.193 CCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000212188 [0,2,0,0,0,0|2,0,0]=4 7345 B13R0.193 CCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000212188 [0,2,0,0,0,0|2,0,0]=4 7346 B13R0.193 CCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000212188 [0,2,0,0,0,0|2,0,0]=4 7347 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,2,0,0,0,0|2,0,0]=4 7348 B13R0.193 CCCCNC(=O)CCC(=O)NCC 11a_100000102301_100000199579 [0,2,0,0,0,0|1,0,0]=3 7349 B13R0.193 CCCCNC(=O)CCC(=O)NCC 1626a_100000102301_100000199579 [0,2,0,0,0,0|1,0,0]=3 7350 B13R0.193 CCCCNC(=O)CCC(=O)NCC 240690a_100000102301_100000199579 [0,2,0,0,0,0|1,0,0]=3 7351 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,2,0,0,0,0|1,0,0]=3 7352 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,2,0,0,0,0|1,0,0]=3 7353 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,2,0,0,0,0|1,0,0]=3 7354 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [0,2,0,0,0,0|2,0,0]=4 7355 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [0,2,0,0,0,0|2,0,0]=4 7356 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [0,2,0,0,0,0|2,0,0]=4 7357 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [0,2,0,0,0,0|2,0,0]=4 7358 B13R0.193 CCCCNC(=O)NCC(=O)NCC 2708a_100000102301_100016988866 [0,2,0,0,0,0|2,0,0]=4 7359 B13R0.193 CCCCNC(=O)NCC(=O)NCC 2708a_100016988866_100000102301 [0,2,0,0,0,0|2,0,0]=4 7360 B13R0.193 CCCCNC(=O)NCC(=O)NCC 273464a_100000102301_100016988866 [0,2,0,0,0,0|2,0,0]=4 7361 B13R0.193 CCCCNC(=O)NCC(=O)NCC 273464a_100016988866_100000102301 [0,2,0,0,0,0|2,0,0]=4 7362 B13R0.193 CCCCNC(=O)NCC(=O)NCC 512a_100000102301_100016988866 [0,2,0,0,0,0|2,0,0]=4 7363 B13R0.193 CCCCNC(=O)NCC(=O)NCC 512a_100016988866_100000102301 [0,2,0,0,0,0|2,0,0]=4 7364 B13R0.193 CCCCOC(=O)C=CC(=O)NCC 240690a_100015525214_100015195251 [0,2,0,0,0,0|0,0,2]=4 7365 B13R0.193 CCCCOC(=O)C=CC(=O)NNC 22a_100016993582_100015195251 [0,2,0,0,0,0|0,0,2]=4 7366 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,2,0,0,0,0|1,0,1]=4 7367 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,2,0,0,0,0|1,0,1]=4 7368 B13R0.193 CCCNNC(=O)CCC(=O)NCC 22a_100000740057_100000199579 [0,2,0,0,0,0|2,0,0]=4 7369 B13R0.193 CCNC(=O)CCC(=O)CCCCF 1458a_100000199579_100000729493 [0,2,0,0,0,0|2,0,0]=4 7370 B13R0.193 CCNC(=O)CCC(=O)CCCCO 1458a_100000199579_100000210776 [0,2,0,0,0,0|2,0,0]=4 7371 B13R0.193 CCNC(=O)CCC(=O)CCCOC 1458a_100000199579_100000740836 [0,2,0,0,0,0|2,0,0]=4 7372 B13R0.193 CCNC(=O)CCC(=O)CCOCC 1458a_100000199579_100011215890 [0,2,0,0,0,0|2,0,0]=4 7373 B13R0.193 CCNC(=O)CCC(=O)CCSCC 1458a_100000199579_100000757381 [0,2,0,0,0,0|2,0,0]=4 7374 B13R0.193 CCNC(=O)CCC(=O)NCCCF 11a_100015189416_100000199579 [0,2,0,0,0,0|2,0,0]=4 7375 B13R0.193 CCNC(=O)CCC(=O)NCCCF 1626a_100015189416_100000199579 [0,2,0,0,0,0|2,0,0]=4 7376 B13R0.193 CCNC(=O)CCC(=O)NCCCF 240690a_100015189416_100000199579 [0,2,0,0,0,0|2,0,0]=4 7377 B13R0.193 CCNC(=O)CCC(=O)NCCCO 240690a_100000182051_100000199579 [0,2,0,0,0,0|2,0,0]=4 7378 B13R0.193 CCNC(=O)CCC(=O)NCCOC 1626a_100000209980_100000199579 [0,2,0,0,0,0|2,0,0]=4 7379 B13R0.193 CCNC(=O)CCC(=O)NCCOC 240690a_100000209980_100000199579 [0,2,0,0,0,0|2,0,0]=4 7380 B13R0.193 CCNC(=O)CCC(=O)NCCSC 11a_100020590264_100000199579 [0,2,0,0,0,0|2,0,0]=4 7381 B13R0.193 CCNC(=O)CCC(=O)NCCSC 1626a_100020590264_100000199579 [0,2,0,0,0,0|2,0,0]=4 7382 B13R0.193 CCNC(=O)CCC(=O)NCCSC 240690a_100020590264_100000199579 [0,2,0,0,0,0|2,0,0]=4 7383 B13R0.193 CCNC(=O)CCC(=O)OCCC#N 240690a_100015525214_200009922858 [0,2,0,0,0,0|1,0,1]=4 7384 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [0,2,0,0,0,0|2,0,0]=4 7385 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [0,2,0,0,0,0|2,0,0]=4 7386 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [0,2,0,0,0,0|2,0,0]=4 7387 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [0,2,0,0,0,0|2,0,0]=4 7388 B13R0.193 CCOC(=O)CCC(=O)NCCCF 11a_100015189416_100000183558 [0,2,0,0,0,0|2,0,0]=4 7389 B13R0.193 CCOC(=O)CCC(=O)NCCCF 1626a_100015189416_100000183558 [0,2,0,0,0,0|2,0,0]=4 7390 B13R0.193 CCOC(=O)CCC(=O)NCCCF 240690a_100015189416_100000183558 [0,2,0,0,0,0|2,0,0]=4 7391 B13R0.193 CCOC(=O)CCC(=O)NCCCO 240690a_100000182051_100000183558 [0,2,0,0,0,0|2,0,0]=4 7392 B13R0.193 CCOC(=O)CCC(=O)NCCOC 1626a_100000209980_100000183558 [0,2,0,0,0,0|2,0,0]=4 7393 B13R0.193 CCOC(=O)CCC(=O)NCCOC 240690a_100000209980_100000183558 [0,2,0,0,0,0|2,0,0]=4 7394 B13R0.193 CCOC(=O)CCC(=O)NCCSC 11a_100020590264_100000183558 [0,2,0,0,0,0|2,0,0]=4 7395 B13R0.193 CCOC(=O)CCC(=O)NCCSC 1626a_100020590264_100000183558 [0,2,0,0,0,0|2,0,0]=4 7396 B13R0.193 CCOC(=O)CCC(=O)NCCSC 240690a_100020590264_100000183558 [0,2,0,0,0,0|2,0,0]=4 7397 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [0,2,0,0,0,0|2,0,0]=4 7398 B13R0.193 CNNC(=O)CCC(=O)OCCC#N 22a_100016993582_200009922858 [0,2,0,0,0,0|1,0,1]=4 7399 B13R0.193 N#CCCOC(=O)CCC(=O)CC#N 1458a_200009922858_100011214920 [0,2,0,0,0,0|1,0,1]=4 7400 B13R0.193 N#CCCOC(=O)CCC(=O)CCF 1458a_200009922858_100011217306 [0,2,0,0,0,0|1,0,1]=4 7401 B13R0.193 N#CCCOC(=O)CCC(=O)CCO 1458a_200009922858_100000211926 [0,2,0,0,0,0|1,0,1]=4 7402 B13R0.385 CCCCCC(=O)CCS(=O)(=O)CC 1458a_100000212188_100000756660 [0,2,0,0,0,0|2,0,0]=4 7403 B13R0.961 CCC(=O)NCC(=O)NCC(C)CC 11a_100020588543_100000194589 [0,2,0,0,0,0|2,0,0]=4 7404 B13R0.961 CCC(=O)NCC(=O)NCC(C)CC 1626a_100020588543_100000194589 [0,2,0,0,0,0|2,0,0]=4 7405 B13R0.961 CCC(=O)NCC(=O)NCC(C)CC 240690a_100020588543_100000194589 [0,2,0,0,0,0|2,0,0]=4 7406 B13R0.961 CCC(=O)NCC(=O)NCC(C)CC 527a_100020588543_100000194589 [0,2,0,0,0,0|2,0,0]=4 7407 B13R0.961 CCC(=O)NCC(=O)NCC(O)CC 11a_100011218483_100000194589 [0,2,0,0,0,0|2,0,0]=4 7408 B13R0.961 CCC(=O)NCC(=O)NCC(O)CC 240690a_100011218483_100000194589 [0,2,0,0,0,0|2,0,0]=4 7409 B13R0.961 CCC(=O)NCC(=O)NCC(O)CC 527a_100011218483_100000194589 [0,2,0,0,0,0|2,0,0]=4 7410 B13R0.961 CCC(C)CCC(=O)NCC(=O)NC 11a_100000693194_100000701222 [0,2,0,0,0,0|2,0,0]=4 7411 B13R0.961 CCC(C)CCC(=O)NCC(=O)NC 240690a_100000693194_100000701222 [0,2,0,0,0,0|2,0,0]=4 7412 B13R0.961 CCC(C)CCC(=O)NCC(=O)NC 527a_100000693194_100000701222 [0,2,0,0,0,0|2,0,0]=4 7413 B13R0.961 CCC(C)CCC(=O)NCC(=O)OC 188690a_100000185156_100000701222 [0,2,0,0,0,0|2,0,0]=4 7414 B13R0.961 CCC(C)CNC(=O)CCC(=O)NC 11a_100020588543_100011309844 [0,2,0,0,0,0|1,0,0]=3 7415 B13R0.961 CCC(C)CNC(=O)CCC(=O)NC 1626a_100020588543_100011309844 [0,2,0,0,0,0|1,0,0]=3 7416 B13R0.961 CCC(C)CNC(=O)CCC(=O)NC 240690a_100020588543_100011309844 [0,2,0,0,0,0|1,0,0]=3 7417 B13R0.961 CCC(C)CNC(=O)CCC(=O)NC 527a_100020588543_100011309844 [0,2,0,0,0,0|1,0,0]=3 7418 B13R0.961 CCC(C)CNC(=O)CCC(=O)OC 11a_100020588543_100000187943 [0,2,0,0,0,0|1,0,0]=3 7419 B13R0.961 CCC(C)CNC(=O)CCC(=O)OC 1626a_100020588543_100000187943 [0,2,0,0,0,0|1,0,0]=3 7420 B13R0.961 CCC(C)CNC(=O)CCC(=O)OC 240690a_100020588543_100000187943 [0,2,0,0,0,0|1,0,0]=3 7421 B13R0.961 CCC(C)CNC(=O)CCC(=O)OC 527a_100020588543_100000187943 [0,2,0,0,0,0|1,0,0]=3 7422 B13R0.961 CCC(C)CNC(=O)CCS(=O)CC 11a_100020588543_100011387550 [0,2,0,0,0,0|2,0,0]=4 7423 B13R0.961 CCC(C)CNC(=O)CCS(=O)CC 1626a_100020588543_100011387550 [0,2,0,0,0,0|2,0,0]=4 7424 B13R0.961 CCC(C)CNC(=O)CCS(=O)CC 240690a_100020588543_100011387550 [0,2,0,0,0,0|2,0,0]=4 7425 B13R0.961 CCC(C)CNC(=O)CCS(=O)CC 527a_100020588543_100011387550 [0,2,0,0,0,0|2,0,0]=4 7426 B13R0.961 CCC(C)CNC(=O)CNC(=O)OC 11a_100020588543_100000215747 [0,2,0,0,0,0|2,0,0]=4 7427 B13R0.961 CCC(C)CNC(=O)CNC(=O)OC 1626a_100020588543_100000215747 [0,2,0,0,0,0|2,0,0]=4 7428 B13R0.961 CCC(C)CNC(=O)CNC(=O)OC 240690a_100020588543_100000215747 [0,2,0,0,0,0|2,0,0]=4 7429 B13R0.961 CCC(C)CNC(=O)CNC(=O)OC 527a_100020588543_100000215747 [0,2,0,0,0,0|2,0,0]=4 7430 B13R0.961 CCC(C)CNC(=O)NCC(=O)NC 2708a_100020588543_100000693194 [0,2,0,0,0,0|2,0,0]=4 7431 B13R0.961 CCC(C)CNC(=O)NCC(=O)NC 273464a_100000693194_100020588543 [0,2,0,0,0,0|2,0,0]=4 7432 B13R0.961 CCC(C)CNC(=O)NCC(=O)NC 273464a_100020588543_100000693194 [0,2,0,0,0,0|2,0,0]=4 7433 B13R0.961 CCC(C)CNC(=O)NCC(=O)NC 512a_100020588543_100000693194 [0,2,0,0,0,0|2,0,0]=4 7434 B13R0.961 CCC(C)NCC(=O)CCC(=O)OC 2230a_100000209981_100000691467 [0,2,0,0,0,0|2,0,0]=4 7435 B13R0.961 CCC(C)NNC(=O)CCC(=O)NC 22a_100000718999_100011309844 [0,2,0,0,0,0|2,0,0]=4 7436 B13R0.961 CCC(C)OCC(=O)CCC(=O)OC 7a_100000210228_100000691467 [0,2,0,0,0,0|2,0,0]=4 7437 B13R0.961 CCC(C)SCC(=O)CCC(=O)OC 62a_100000691467_100000758301 [0,2,0,0,0,0|2,0,0]=4 7438 B13R0.961 CCC(C)SCC(=O)CCC(=O)OC 62a_100000758301_100000691467 [0,2,0,0,0,0|2,0,0]=4 7439 B13R0.961 CCC(O)CCC(=O)NCC(=O)NC 240690a_100000693194_203496584001 [0,2,0,0,0,0|2,0,0]=4 7440 B13R0.961 CCC(O)CCC(=O)NCC(=O)OC 188690a_100000185156_203496584001 [0,2,0,0,0,0|2,0,0]=4 7441 B13R0.961 CCC(O)CNC(=O)CCC(=O)NC 11a_100011218483_100011309844 [0,2,0,0,0,0|1,0,0]=3 7442 B13R0.961 CCC(O)CNC(=O)CCC(=O)NC 240690a_100011218483_100011309844 [0,2,0,0,0,0|1,0,0]=3 7443 B13R0.961 CCC(O)CNC(=O)CCC(=O)NC 527a_100011218483_100011309844 [0,2,0,0,0,0|1,0,0]=3 7444 B13R0.961 CCC(O)CNC(=O)CCC(=O)OC 11a_100011218483_100000187943 [0,2,0,0,0,0|1,0,0]=3 7445 B13R0.961 CCC(O)CNC(=O)CCC(=O)OC 240690a_100011218483_100000187943 [0,2,0,0,0,0|1,0,0]=3 7446 B13R0.961 CCC(O)CNC(=O)CCC(=O)OC 527a_100011218483_100000187943 [0,2,0,0,0,0|1,0,0]=3 7447 B13R0.961 CCC(O)CNC(=O)CCS(=O)CC 11a_100011218483_100011387550 [0,2,0,0,0,0|2,0,0]=4 7448 B13R0.961 CCC(O)CNC(=O)CCS(=O)CC 240690a_100011218483_100011387550 [0,2,0,0,0,0|2,0,0]=4 7449 B13R0.961 CCC(O)CNC(=O)CCS(=O)CC 527a_100011218483_100011387550 [0,2,0,0,0,0|2,0,0]=4 7450 B13R0.961 CCC(O)CNC(=O)CNC(=O)OC 11a_100011218483_100000215747 [0,2,0,0,0,0|2,0,0]=4 7451 B13R0.961 CCC(O)CNC(=O)CNC(=O)OC 240690a_100011218483_100000215747 [0,2,0,0,0,0|2,0,0]=4 7452 B13R0.961 CCC(O)CNC(=O)CNC(=O)OC 527a_100011218483_100000215747 [0,2,0,0,0,0|2,0,0]=4 7453 B13R0.961 CCC(O)CNC(=O)NCC(=O)NC 273464a_100000693194_100011218483 [0,2,0,0,0,0|2,0,0]=4 7454 B13R0.961 CCC(O)CNC(=O)NCC(=O)NC 273464a_100011218483_100000693194 [0,2,0,0,0,0|2,0,0]=4 7455 B13R0.961 CCC(O)CNC(=O)NCC(=O)NC 512a_100011218483_100000693194 [0,2,0,0,0,0|2,0,0]=4 7456 B13R0.961 CNC(=O)CCC(=O)NCC(C)CO 240690a_100000744482_100011309844 [0,2,0,0,0,0|2,0,0]=4 7457 B13R0.961 CNC(=O)CCC(=O)NCC(C)CO 527a_100000744482_100011309844 [0,2,0,0,0,0|2,0,0]=4 7458 B13R0.961 CNC(=O)CCC(=O)NC[C@@H](C)OC 11a_100020591295_100011309844 [0,2,0,0,0,0|2,0,0]=4 7459 B13R0.961 CNC(=O)CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100011309844 [0,2,0,0,0,0|2,0,0]=4 7460 B13R0.961 CNC(=O)CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100011309844 [0,2,0,0,0,0|2,0,0]=4 7461 B13R0.961 CNC(=O)CCC(=O)NC[C@@H](C)OC 527a_100020591295_100011309844 [0,2,0,0,0,0|2,0,0]=4 7462 B13R0.961 CNC(=O)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100011309844 [0,2,0,0,0,0|2,0,0]=4 7463 B13R0.961 CNC(=O)CCC(=O)NC[C@@H](F)CO 527a_100015665980_100011309844 [0,2,0,0,0,0|2,0,0]=4 7464 B13R0.961 CNC(=O)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100011309844 [0,2,0,0,0,0|2,0,0]=4 7465 B13R0.961 CNC(=O)CCC(=O)NC[C@H](O)CO 527a_100020644852_100011309844 [0,2,0,0,0,0|2,0,0]=4 7466 B13R0.961 COC(=O)CCC(=O)NCC(C)CO 240690a_100000744482_100000187943 [0,2,0,0,0,0|2,0,0]=4 7467 B13R0.961 COC(=O)CCC(=O)NCC(C)CO 527a_100000744482_100000187943 [0,2,0,0,0,0|2,0,0]=4 7468 B13R0.961 COC(=O)CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000187943 [0,2,0,0,0,0|2,0,0]=4 7469 B13R0.961 COC(=O)CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000187943 [0,2,0,0,0,0|2,0,0]=4 7470 B13R0.961 COC(=O)CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000187943 [0,2,0,0,0,0|2,0,0]=4 7471 B13R0.961 COC(=O)CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000187943 [0,2,0,0,0,0|2,0,0]=4 7472 B13R0.961 COC(=O)CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000187943 [0,2,0,0,0,0|2,0,0]=4 7473 B13R0.961 COC(=O)CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000187943 [0,2,0,0,0,0|2,0,0]=4 7474 B13R0.961 COC(=O)CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000187943 [0,2,0,0,0,0|2,0,0]=4 7475 B13R0.961 COC(=O)CCC(=O)NC[C@H](O)CO 527a_100020644852_100000187943 [0,2,0,0,0,0|2,0,0]=4 7476 B13R0.1170 C#CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100010269958 [0,2,0,0,0,0|1,0,1]=4 7477 B13R0.1170 C#CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100010269958 [0,2,0,0,0,0|1,0,1]=4 7478 B13R0.1170 C#CCCCNC(=O)CCC(=O)NC 11a_100000718082_100011309844 [0,2,0,0,0,0|1,0,1]=4 7479 B13R0.1170 C#CCCCNC(=O)CCC(=O)NC 1626a_100000718082_100011309844 [0,2,0,0,0,0|1,0,1]=4 7480 B13R0.1170 C#CCCCNC(=O)CCC(=O)NC 240690a_100000718082_100011309844 [0,2,0,0,0,0|1,0,1]=4 7481 B13R0.1170 C#CCCCNC(=O)CCC(=O)NC 527a_100000718082_100011309844 [0,2,0,0,0,0|1,0,1]=4 7482 B13R0.1170 C#CCCCNC(=O)CCC(=O)OC 11a_100000718082_100000187943 [0,2,0,0,0,0|1,0,1]=4 7483 B13R0.1170 C#CCCCNC(=O)CCC(=O)OC 1626a_100000718082_100000187943 [0,2,0,0,0,0|1,0,1]=4 7484 B13R0.1170 C#CCCCNC(=O)CCC(=O)OC 240690a_100000718082_100000187943 [0,2,0,0,0,0|1,0,1]=4 7485 B13R0.1170 C#CCCCNC(=O)CCC(=O)OC 527a_100000718082_100000187943 [0,2,0,0,0,0|1,0,1]=4 7486 B13R0.1170 C#CCCOCC(=O)CCC(=O)OC 34a_100011215631_100000691467 [0,2,0,0,0,0|0,0,2]=4 7487 B13R0.1170 C/C=C/COCC(=O)CCC(=O)OC 34a_100016270725_100000691467 [0,2,0,0,0,0|0,0,2]=4 7488 B13R0.1170 C=CC(=O)NCC(=O)COCCCC 1458a_200011222540_100011995733 [0,2,0,0,0,0|1,0,1]=4 7489 B13R0.1170 C=CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100011215482 [0,2,0,0,0,0|1,0,1]=4 7490 B13R0.1170 C=CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011215482 [0,2,0,0,0,0|1,0,1]=4 7491 B13R0.1170 C=CCCCNC(=O)CCC(=O)NC 11a_100000700776_100011309844 [0,2,0,0,0,0|1,0,1]=4 7492 B13R0.1170 C=CCCCNC(=O)CCC(=O)NC 1626a_100000700776_100011309844 [0,2,0,0,0,0|1,0,1]=4 7493 B13R0.1170 C=CCCCNC(=O)CCC(=O)NC 240690a_100000700776_100011309844 [0,2,0,0,0,0|1,0,1]=4 7494 B13R0.1170 C=CCCCNC(=O)CCC(=O)NC 527a_100000700776_100011309844 [0,2,0,0,0,0|1,0,1]=4 7495 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 11a_100000700776_100000187943 [0,2,0,0,0,0|1,0,1]=4 7496 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 1626a_100000700776_100000187943 [0,2,0,0,0,0|1,0,1]=4 7497 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 240690a_100000700776_100000187943 [0,2,0,0,0,0|1,0,1]=4 7498 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 527a_100000700776_100000187943 [0,2,0,0,0,0|1,0,1]=4 7499 B13R0.1170 C=CCCOCC(=O)CCC(=O)OC 34a_100011205117_100000691467 [0,2,0,0,0,0|0,0,2]=4 7500 B13R0.1170 CC#CCOCC(=O)CCC(=O)OC 34a_100000761923_100000691467 [0,2,0,0,0,0|0,0,2]=4 7501 B13R0.1170 CC/C=C\CCC(=O)CCC(=O)NC 1458a_100011309844_100015370543 [0,2,0,0,0,0|1,0,1]=4 7502 B13R0.1170 CC/C=C\CCC(=O)CCC(=O)OC 1458a_100000187943_100015370543 [0,2,0,0,0,0|1,0,1]=4 7503 B13R0.1170 CCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210202 [0,2,0,0,0,0|0,0,0]=2 7504 B13R0.1170 CCC(=O)NCC(=O)CCCCCF 1458a_100000194589_100000729378 [0,2,0,0,0,0|2,0,0]=4 7505 B13R0.1170 CCC(=O)NCC(=O)CCCCCO 1458a_100000194589_100000746330 [0,2,0,0,0,0|2,0,0]=4 7506 B13R0.1170 CCC(=O)NCC(=O)CCCCOC 1458a_100000194589_100000755781 [0,2,0,0,0,0|2,0,0]=4 7507 B13R0.1170 CCC(=O)NCC(=O)NCCCCO 240690a_100000750430_100000194589 [0,2,0,0,0,0|2,0,0]=4 7508 B13R0.1170 CCC(=O)NCC(=O)NCCCCO 527a_100000750430_100000194589 [0,2,0,0,0,0|2,0,0]=4 7509 B13R0.1170 CCC(=O)NCC(=O)NCCCOC 1626a_100150723488_100000194589 [0,2,0,0,0,0|2,0,0]=4 7510 B13R0.1170 CCC(=O)NCC(=O)NCCCOC 240690a_100150723488_100000194589 [0,2,0,0,0,0|2,0,0]=4 7511 B13R0.1170 CCC(=O)NCC(=O)NCCCOC 527a_100150723488_100000194589 [0,2,0,0,0,0|2,0,0]=4 7512 B13R0.1170 CCC(=O)NCC(=O)NCCCSC 11a_100000749238_100000194589 [0,2,0,0,0,0|2,0,0]=4 7513 B13R0.1170 CCC(=O)NCC(=O)NCCCSC 1626a_100000749238_100000194589 [0,2,0,0,0,0|2,0,0]=4 7514 B13R0.1170 CCC(=O)NCC(=O)NCCCSC 240690a_100000749238_100000194589 [0,2,0,0,0,0|2,0,0]=4 7515 B13R0.1170 CCC(=O)NCC(=O)NCCCSC 527a_100000749238_100000194589 [0,2,0,0,0,0|2,0,0]=4 7516 B13R0.1170 CCCCC=CC(=O)NCC(=O)NC 11a_100000693194_100016266645 [0,2,0,0,0,0|2,0,0]=4 7517 B13R0.1170 CCCCC=CC(=O)NCC(=O)NC 240690a_100000693194_100016266645 [0,2,0,0,0,0|2,0,0]=4 7518 B13R0.1170 CCCCC=CC(=O)NCC(=O)OC 188690a_100000185156_100016266645 [0,2,0,0,0,0|2,0,0]=4 7519 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [0,2,0,0,0,0|1,0,0]=3 7520 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [0,2,0,0,0,0|1,0,0]=3 7521 B13R0.1170 CCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210757 [0,2,0,0,0,0|2,0,0]=4 7522 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [0,2,0,0,0,0|2,0,0]=4 7523 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [0,2,0,0,0,0|2,0,0]=4 7524 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 11a_100000693194_100102632555 [0,2,0,0,0,0|2,0,0]=4 7525 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100102632555 [0,2,0,0,0,0|2,0,0]=4 7526 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 527a_100000693194_100102632555 [0,2,0,0,0,0|2,0,0]=4 7527 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [0,2,0,0,0,0|2,0,0]=4 7528 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 11a_100000209983_100011309844 [0,2,0,0,0,0|1,0,0]=3 7529 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 1626a_100000209983_100011309844 [0,2,0,0,0,0|1,0,0]=3 7530 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 240690a_100000209983_100011309844 [0,2,0,0,0,0|1,0,0]=3 7531 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 527a_100000209983_100011309844 [0,2,0,0,0,0|1,0,0]=3 7532 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 11a_100000209983_100000187943 [0,2,0,0,0,0|1,0,0]=3 7533 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 1626a_100000209983_100000187943 [0,2,0,0,0,0|1,0,0]=3 7534 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 240690a_100000209983_100000187943 [0,2,0,0,0,0|1,0,0]=3 7535 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 527a_100000209983_100000187943 [0,2,0,0,0,0|1,0,0]=3 7536 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 11a_100000209983_100011387550 [0,2,0,0,0,0|2,0,0]=4 7537 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 1626a_100000209983_100011387550 [0,2,0,0,0,0|2,0,0]=4 7538 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 240690a_100000209983_100011387550 [0,2,0,0,0,0|2,0,0]=4 7539 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 527a_100000209983_100011387550 [0,2,0,0,0,0|2,0,0]=4 7540 B13R0.1170 CCCCCNC(=O)CNC(=O)CC 11a_100000209983_100000194589 [0,2,0,0,0,0|2,0,0]=4 7541 B13R0.1170 CCCCCNC(=O)CNC(=O)CC 1626a_100000209983_100000194589 [0,2,0,0,0,0|2,0,0]=4 7542 B13R0.1170 CCCCCNC(=O)CNC(=O)CC 240690a_100000209983_100000194589 [0,2,0,0,0,0|2,0,0]=4 7543 B13R0.1170 CCCCCNC(=O)CNC(=O)CC 527a_100000209983_100000194589 [0,2,0,0,0,0|2,0,0]=4 7544 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 11a_100000209983_100000215747 [0,2,0,0,0,0|2,0,0]=4 7545 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 1626a_100000209983_100000215747 [0,2,0,0,0,0|2,0,0]=4 7546 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 240690a_100000209983_100000215747 [0,2,0,0,0,0|2,0,0]=4 7547 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 527a_100000209983_100000215747 [0,2,0,0,0,0|2,0,0]=4 7548 B13R0.1170 CCCCCNC(=O)NCC(=O)NC 2708a_100000209983_100000693194 [0,2,0,0,0,0|2,0,0]=4 7549 B13R0.1170 CCCCCNC(=O)NCC(=O)NC 273464a_100000209983_100000693194 [0,2,0,0,0,0|2,0,0]=4 7550 B13R0.1170 CCCCCNC(=O)NCC(=O)NC 273464a_100000693194_100000209983 [0,2,0,0,0,0|2,0,0]=4 7551 B13R0.1170 CCCCCNC(=O)NCC(=O)NC 512a_100000209983_100000693194 [0,2,0,0,0,0|2,0,0]=4 7552 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 2230a_100000102301_100000691467 [0,2,0,0,0,0|1,0,0]=3 7553 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 7a_106832991798_100000691467 [0,2,0,0,0,0|1,0,0]=3 7554 B13R0.1170 CCCCNCC(=O)NCC(=O)OC 2230a_100000102301_100000182966 [0,2,0,0,0,0|2,0,0]=4 7555 B13R0.1170 CCCCNCC(=O)NCC(=O)OC 7a_106832991798_100000182966 [0,2,0,0,0,0|2,0,0]=4 7556 B13R0.1170 CCCCNN=C(C)CCC(=O)OC 4a_100025702795_100000756497 [0,2,0,0,0,0|2,0,0]=4 7557 B13R0.1170 CCCCNNC(=O)CCC(=O)NC 22a_100025702795_100011309844 [0,2,0,0,0,0|1,0,0]=3 7558 B13R0.1170 CCCCNNC(=O)CNC(=O)CC 22a_100025702795_100000194589 [0,2,0,0,0,0|2,0,0]=4 7559 B13R0.1170 CCCCNNC(=O)CNC(=O)OC 22a_100025702795_100000215747 [0,2,0,0,0,0|2,0,0]=4 7560 B13R0.1170 CCCCNNC(=O)NCC(=O)NC 273464a_100000693194_100025702795 [0,2,0,0,0,0|2,0,0]=4 7561 B13R0.1170 CCCCNNC(=O)NCC(=O)NC 512a_100025702795_100000693194 [0,2,0,0,0,0|2,0,0]=4 7562 B13R0.1170 CCCCOCC(=O)C=CC(=O)NC 1458a_100016259477_100011995733 [0,2,0,0,0,0|0,0,2]=4 7563 B13R0.1170 CCCCOCC(=O)CCC(=O)NC 1458a_100011309844_100011995733 [0,2,0,0,0,0|0,0,0]=2 7564 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [0,2,0,0,0,0|0,0,0]=2 7565 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [0,2,0,0,0,0|0,0,0]=2 7566 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [0,2,0,0,0,0|0,0,0]=2 7567 B13R0.1170 CCCCOCC(=O)CCC(C)CC 1458a_100000701222_100011995733 [0,2,0,0,0,0|1,0,1]=4 7568 B13R0.1170 CCCCOCC(=O)CCN(C)CC 1458a_100000755305_100011995733 [0,2,0,0,0,0|2,0,0]=4 7569 B13R0.1170 CCCCOCC(=O)CCS(=O)CC 1458a_100011387550_100011995733 [0,2,0,0,0,0|1,0,0]=3 7570 B13R0.1170 CCCCOCC(=O)CNC(=O)CC 1458a_100000194589_100011995733 [0,2,0,0,0,0|1,0,0]=3 7571 B13R0.1170 CCCCOCC(=O)CNC(=O)OC 1458a_100000215747_100011995733 [0,2,0,0,0,0|1,0,0]=3 7572 B13R0.1170 CCCCOCC(=O)NCC(=O)NC 11a_100000693194_100000757543 [0,2,0,0,0,0|1,0,0]=3 7573 B13R0.1170 CCCCOCC(=O)NCC(=O)NC 240690a_100000693194_100000757543 [0,2,0,0,0,0|1,0,0]=3 7574 B13R0.1170 CCCCOCC(=O)NCC(=O)NC 527a_100000693194_100000757543 [0,2,0,0,0,0|1,0,0]=3 7575 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000757543 [0,2,0,0,0,0|1,0,0]=3 7576 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 34a_100000210227_100000182966 [0,2,0,0,0,0|1,0,0]=3 7577 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 7a_100000210227_100000182966 [0,2,0,0,0,0|1,0,0]=3 7578 B13R0.1170 CCCCOCC(=O)NNC(=O)CC 22a_100000183195_100000757543 [0,2,0,0,0,0|2,0,0]=4 7579 B13R0.1170 CCCCOCN(C)CCC(=O)NC 2230a_100000750875_100011995733 [0,2,0,0,0,0|2,0,0]=4 7580 B13R0.1170 CCCCOCN(C)CCC(=O)NC 269982a_100000750875_100011995733 [0,2,0,0,0,0|2,0,0]=4 7581 B13R0.1170 CCCCOCN(C)CCC(=O)OC 269982a_100025711912_100011995733 [0,2,0,0,0,0|2,0,0]=4 7582 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000210211_100000691467 [0,2,0,0,0,0|0,1,0]=3 7583 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210210 [0,2,0,0,0,0|0,1,0]=3 7584 B13R0.1170 CCCCSCC(=O)NCC(=O)NC 11a_100000693194_100000191162 [0,2,0,0,0,0|1,1,0]=4 7585 B13R0.1170 CCCCSCC(=O)NCC(=O)NC 240690a_100000693194_100000191162 [0,2,0,0,0,0|1,1,0]=4 7586 B13R0.1170 CCCCSCC(=O)NCC(=O)NC 527a_100000693194_100000191162 [0,2,0,0,0,0|1,1,0]=4 7587 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 188690a_100000185156_100000191162 [0,2,0,0,0,0|1,1,0]=4 7588 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 62a_100000182966_100000210210 [0,2,0,0,0,0|1,1,0]=4 7589 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 62a_100000210211_100000182966 [0,2,0,0,0,0|1,1,0]=4 7590 B13R0.1170 CCCOCCC(=O)CCC(=O)NC 1458a_100011309844_100011215938 [0,2,0,0,0,0|1,0,0]=3 7591 B13R0.1170 CCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215938 [0,2,0,0,0,0|1,0,0]=3 7592 B13R0.1170 CCCOCCC(=O)CCS(=O)CC 1458a_100011387550_100011215938 [0,2,0,0,0,0|2,0,0]=4 7593 B13R0.1170 CCCOCCC(=O)CNC(=O)CC 1458a_100000194589_100011215938 [0,2,0,0,0,0|2,0,0]=4 7594 B13R0.1170 CCCOCCC(=O)CNC(=O)OC 1458a_100000215747_100011215938 [0,2,0,0,0,0|2,0,0]=4 7595 B13R0.1170 CCOCCCC(=O)CCC(=O)NC 1458a_100011309844_100012232248 [0,2,0,0,0,0|1,0,0]=3 7596 B13R0.1170 CCOCCCC(=O)CCC(=O)OC 1458a_100000187943_100012232248 [0,2,0,0,0,0|1,0,0]=3 7597 B13R0.1170 CCOCCCC(=O)CCS(=O)CC 1458a_100011387550_100012232248 [0,2,0,0,0,0|2,0,0]=4 7598 B13R0.1170 CCOCCCC(=O)CNC(=O)CC 1458a_100000194589_100012232248 [0,2,0,0,0,0|2,0,0]=4 7599 B13R0.1170 CCOCCCC(=O)CNC(=O)OC 1458a_100000215747_100012232248 [0,2,0,0,0,0|2,0,0]=4 7600 B13R0.1170 CCOCCNC(=O)CCC(=O)NC 11a_100011200944_100011309844 [0,2,0,0,0,0|1,0,0]=3 7601 B13R0.1170 CCOCCNC(=O)CCC(=O)NC 1626a_102516460346_100011309844 [0,2,0,0,0,0|1,0,0]=3 7602 B13R0.1170 CCOCCNC(=O)CCC(=O)NC 240690a_100011200944_100011309844 [0,2,0,0,0,0|1,0,0]=3 7603 B13R0.1170 CCOCCNC(=O)CCC(=O)NC 527a_100011200944_100011309844 [0,2,0,0,0,0|1,0,0]=3 7604 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 11a_100011200944_100000187943 [0,2,0,0,0,0|1,0,0]=3 7605 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 1626a_102516460346_100000187943 [0,2,0,0,0,0|1,0,0]=3 7606 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 240690a_100011200944_100000187943 [0,2,0,0,0,0|1,0,0]=3 7607 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 527a_100011200944_100000187943 [0,2,0,0,0,0|1,0,0]=3 7608 B13R0.1170 CCOCCNC(=O)CCS(=O)CC 11a_100011200944_100011387550 [0,2,0,0,0,0|2,0,0]=4 7609 B13R0.1170 CCOCCNC(=O)CCS(=O)CC 1626a_102516460346_100011387550 [0,2,0,0,0,0|2,0,0]=4 7610 B13R0.1170 CCOCCNC(=O)CCS(=O)CC 240690a_100011200944_100011387550 [0,2,0,0,0,0|2,0,0]=4 7611 B13R0.1170 CCOCCNC(=O)CCS(=O)CC 527a_100011200944_100011387550 [0,2,0,0,0,0|2,0,0]=4 7612 B13R0.1170 CCOCCNC(=O)CNC(=O)CC 11a_100011200944_100000194589 [0,2,0,0,0,0|2,0,0]=4 7613 B13R0.1170 CCOCCNC(=O)CNC(=O)CC 1626a_102516460346_100000194589 [0,2,0,0,0,0|2,0,0]=4 7614 B13R0.1170 CCOCCNC(=O)CNC(=O)CC 240690a_100011200944_100000194589 [0,2,0,0,0,0|2,0,0]=4 7615 B13R0.1170 CCOCCNC(=O)CNC(=O)CC 527a_100011200944_100000194589 [0,2,0,0,0,0|2,0,0]=4 7616 B13R0.1170 CCOCCNC(=O)CNC(=O)OC 11a_100011200944_100000215747 [0,2,0,0,0,0|2,0,0]=4 7617 B13R0.1170 CCOCCNC(=O)CNC(=O)OC 1626a_102516460346_100000215747 [0,2,0,0,0,0|2,0,0]=4 7618 B13R0.1170 CCOCCNC(=O)CNC(=O)OC 240690a_100011200944_100000215747 [0,2,0,0,0,0|2,0,0]=4 7619 B13R0.1170 CCOCCNC(=O)CNC(=O)OC 527a_100011200944_100000215747 [0,2,0,0,0,0|2,0,0]=4 7620 B13R0.1170 CCOCCNC(=O)NCC(=O)NC 2708a_100011200944_100000693194 [0,2,0,0,0,0|2,0,0]=4 7621 B13R0.1170 CCOCCNC(=O)NCC(=O)NC 273464a_100000693194_102516460346 [0,2,0,0,0,0|2,0,0]=4 7622 B13R0.1170 CCOCCNC(=O)NCC(=O)NC 273464a_102516460346_100000693194 [0,2,0,0,0,0|2,0,0]=4 7623 B13R0.1170 CCOCCNC(=O)NCC(=O)NC 512a_100011200944_100000693194 [0,2,0,0,0,0|2,0,0]=4 7624 B13R0.1170 CCOCSCC(=O)CCC(=O)OC 62a_100000691467_100000739092 [0,2,0,0,0,0|1,1,0]=4 7625 B13R0.1170 CCOCSCC(=O)CCC(=O)OC 62a_100000739092_100000691467 [0,2,0,0,0,0|1,1,0]=4 7626 B13R0.1170 CCS(=O)CCC(=O)CCCCCF 1458a_100011387550_100000729378 [0,2,0,0,0,0|2,0,0]=4 7627 B13R0.1170 CCS(=O)CCC(=O)CCCCCO 1458a_100011387550_100000746330 [0,2,0,0,0,0|2,0,0]=4 7628 B13R0.1170 CCS(=O)CCC(=O)CCCCOC 1458a_100011387550_100000755781 [0,2,0,0,0,0|2,0,0]=4 7629 B13R0.1170 CCS(=O)CCC(=O)NCCCCO 240690a_100000750430_100011387550 [0,2,0,0,0,0|2,0,0]=4 7630 B13R0.1170 CCS(=O)CCC(=O)NCCCCO 527a_100000750430_100011387550 [0,2,0,0,0,0|2,0,0]=4 7631 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 1626a_100150723488_100011387550 [0,2,0,0,0,0|2,0,0]=4 7632 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 240690a_100150723488_100011387550 [0,2,0,0,0,0|2,0,0]=4 7633 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 527a_100150723488_100011387550 [0,2,0,0,0,0|2,0,0]=4 7634 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 11a_100000749238_100011387550 [0,2,0,0,0,0|2,0,0]=4 7635 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 1626a_100000749238_100011387550 [0,2,0,0,0,0|2,0,0]=4 7636 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 240690a_100000749238_100011387550 [0,2,0,0,0,0|2,0,0]=4 7637 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 527a_100000749238_100011387550 [0,2,0,0,0,0|2,0,0]=4 7638 B13R0.1170 CCSCCNC(=O)CCC(=O)NC 11a_100000106463_100011309844 [0,2,0,0,0,0|1,0,0]=3 7639 B13R0.1170 CCSCCNC(=O)CCC(=O)NC 1626a_100000106463_100011309844 [0,2,0,0,0,0|1,0,0]=3 7640 B13R0.1170 CCSCCNC(=O)CCC(=O)NC 240690a_100000106463_100011309844 [0,2,0,0,0,0|1,0,0]=3 7641 B13R0.1170 CCSCCNC(=O)CCC(=O)NC 527a_100000106463_100011309844 [0,2,0,0,0,0|1,0,0]=3 7642 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 11a_100000106463_100000187943 [0,2,0,0,0,0|1,0,0]=3 7643 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 1626a_100000106463_100000187943 [0,2,0,0,0,0|1,0,0]=3 7644 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 240690a_100000106463_100000187943 [0,2,0,0,0,0|1,0,0]=3 7645 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 527a_100000106463_100000187943 [0,2,0,0,0,0|1,0,0]=3 7646 B13R0.1170 CCSCCNC(=O)CCS(=O)CC 11a_100000106463_100011387550 [0,2,0,0,0,0|2,0,0]=4 7647 B13R0.1170 CCSCCNC(=O)CCS(=O)CC 1626a_100000106463_100011387550 [0,2,0,0,0,0|2,0,0]=4 7648 B13R0.1170 CCSCCNC(=O)CCS(=O)CC 240690a_100000106463_100011387550 [0,2,0,0,0,0|2,0,0]=4 7649 B13R0.1170 CCSCCNC(=O)CCS(=O)CC 527a_100000106463_100011387550 [0,2,0,0,0,0|2,0,0]=4 7650 B13R0.1170 CCSCCNC(=O)CNC(=O)CC 11a_100000106463_100000194589 [0,2,0,0,0,0|2,0,0]=4 7651 B13R0.1170 CCSCCNC(=O)CNC(=O)CC 1626a_100000106463_100000194589 [0,2,0,0,0,0|2,0,0]=4 7652 B13R0.1170 CCSCCNC(=O)CNC(=O)CC 240690a_100000106463_100000194589 [0,2,0,0,0,0|2,0,0]=4 7653 B13R0.1170 CCSCCNC(=O)CNC(=O)CC 527a_100000106463_100000194589 [0,2,0,0,0,0|2,0,0]=4 7654 B13R0.1170 CCSCCNC(=O)CNC(=O)OC 11a_100000106463_100000215747 [0,2,0,0,0,0|2,0,0]=4 7655 B13R0.1170 CCSCCNC(=O)CNC(=O)OC 1626a_100000106463_100000215747 [0,2,0,0,0,0|2,0,0]=4 7656 B13R0.1170 CCSCCNC(=O)CNC(=O)OC 240690a_100000106463_100000215747 [0,2,0,0,0,0|2,0,0]=4 7657 B13R0.1170 CCSCCNC(=O)CNC(=O)OC 527a_100000106463_100000215747 [0,2,0,0,0,0|2,0,0]=4 7658 B13R0.1170 CCSCCNC(=O)NCC(=O)NC 2708a_100000106463_100000693194 [0,2,0,0,0,0|2,0,0]=4 7659 B13R0.1170 CCSCCNC(=O)NCC(=O)NC 273464a_100000106463_100000693194 [0,2,0,0,0,0|2,0,0]=4 7660 B13R0.1170 CCSCCNC(=O)NCC(=O)NC 273464a_100000693194_100000106463 [0,2,0,0,0,0|2,0,0]=4 7661 B13R0.1170 CCSCCNC(=O)NCC(=O)NC 512a_100000106463_100000693194 [0,2,0,0,0,0|2,0,0]=4 7662 B13R0.1170 CNC(=O)CCC(=O)CCCCC#N 1458a_100011309844_100000211819 [0,2,0,0,0,0|1,0,1]=4 7663 B13R0.1170 CNC(=O)CCC(=O)CCCCCF 1458a_100011309844_100000729378 [0,2,0,0,0,0|1,0,0]=3 7664 B13R0.1170 CNC(=O)CCC(=O)CCCCCO 1458a_100011309844_100000746330 [0,2,0,0,0,0|1,0,0]=3 7665 B13R0.1170 CNC(=O)CCC(=O)CCCCOC 1458a_100011309844_100000755781 [0,2,0,0,0,0|1,0,0]=3 7666 B13R0.1170 CNC(=O)CCC(=O)CCOCCO 1458a_100011309844_100011215305 [0,2,0,0,0,0|2,0,0]=4 7667 B13R0.1170 CNC(=O)CCC(=O)NCCCCO 240690a_100000750430_100011309844 [0,2,0,0,0,0|1,0,0]=3 7668 B13R0.1170 CNC(=O)CCC(=O)NCCCCO 527a_100000750430_100011309844 [0,2,0,0,0,0|1,0,0]=3 7669 B13R0.1170 CNC(=O)CCC(=O)NCCCOC 1626a_100150723488_100011309844 [0,2,0,0,0,0|1,0,0]=3 7670 B13R0.1170 CNC(=O)CCC(=O)NCCCOC 240690a_100150723488_100011309844 [0,2,0,0,0,0|1,0,0]=3 7671 B13R0.1170 CNC(=O)CCC(=O)NCCCOC 527a_100150723488_100011309844 [0,2,0,0,0,0|1,0,0]=3 7672 B13R0.1170 CNC(=O)CCC(=O)NCCCSC 11a_100000749238_100011309844 [0,2,0,0,0,0|1,0,0]=3 7673 B13R0.1170 CNC(=O)CCC(=O)NCCCSC 1626a_100000749238_100011309844 [0,2,0,0,0,0|1,0,0]=3 7674 B13R0.1170 CNC(=O)CCC(=O)NCCCSC 240690a_100000749238_100011309844 [0,2,0,0,0,0|1,0,0]=3 7675 B13R0.1170 CNC(=O)CCC(=O)NCCCSC 527a_100000749238_100011309844 [0,2,0,0,0,0|1,0,0]=3 7676 B13R0.1170 CNC(=O)CCC(=O)NNCCOC 22a_100000741390_100011309844 [0,2,0,0,0,0|2,0,0]=4 7677 B13R0.1170 CNC(=O)CCC(=O)OCCCCO 1626a_100102657272_200009914559 [0,2,0,0,0,0|0,0,0]=2 7678 B13R0.1170 CNC(=O)CCC(=O)OCCCCO 240690a_100102657272_200009914559 [0,2,0,0,0,0|0,0,0]=2 7679 B13R0.1170 CNC(=O)CNC(=O)CCCCCO 240690a_100000693194_100102619762 [0,2,0,0,0,0|2,0,0]=4 7680 B13R0.1170 CNC(=O)CNC(=O)COCCOC 11a_100000693194_100000211095 [0,2,0,0,0,0|2,0,0]=4 7681 B13R0.1170 CNC(=O)CNC(=O)COCCOC 240690a_100000693194_100000211095 [0,2,0,0,0,0|2,0,0]=4 7682 B13R0.1170 CNC(=O)CNC(=O)COCCOC 527a_100000693194_100000211095 [0,2,0,0,0,0|2,0,0]=4 7683 B13R0.1170 CNC(=O)CNC(=O)NCCCCO 2708a_100000750430_100000693194 [0,2,0,0,0,0|2,0,0]=4 7684 B13R0.1170 CNC(=O)CNC(=O)NCCCCO 273464a_100000693194_100000750430 [0,2,0,0,0,0|2,0,0]=4 7685 B13R0.1170 CNC(=O)CNC(=O)NCCCCO 273464a_100000750430_100000693194 [0,2,0,0,0,0|2,0,0]=4 7686 B13R0.1170 CNC(=O)CNC(=O)NCCCCO 512a_100000750430_100000693194 [0,2,0,0,0,0|2,0,0]=4 7687 B13R0.1170 CNC(=O)CNC(=O)NCCCOC 2708a_100150723488_100000693194 [0,2,0,0,0,0|2,0,0]=4 7688 B13R0.1170 CNC(=O)CNC(=O)NCCCOC 273464a_100000693194_100150723488 [0,2,0,0,0,0|2,0,0]=4 7689 B13R0.1170 CNC(=O)CNC(=O)NCCCOC 273464a_100150723488_100000693194 [0,2,0,0,0,0|2,0,0]=4 7690 B13R0.1170 CNC(=O)CNC(=O)NCCCSC 2708a_100000749238_100000693194 [0,2,0,0,0,0|2,0,0]=4 7691 B13R0.1170 CNC(=O)CNC(=O)NCCCSC 273464a_100000693194_100000749238 [0,2,0,0,0,0|2,0,0]=4 7692 B13R0.1170 CNC(=O)CNC(=O)NCCCSC 273464a_100000749238_100000693194 [0,2,0,0,0,0|2,0,0]=4 7693 B13R0.1170 CNC(=O)CNC(=O)NCCCSC 512a_100000749238_100000693194 [0,2,0,0,0,0|2,0,0]=4 7694 B13R0.1170 COC(=O)CCC(=O)CCCCC#N 1458a_100000187943_100000211819 [0,2,0,0,0,0|1,0,1]=4 7695 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [0,2,0,0,0,0|1,0,0]=3 7696 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [0,2,0,0,0,0|1,0,0]=3 7697 B13R0.1170 COC(=O)CCC(=O)CCOCCO 1458a_100000187943_100011215305 [0,2,0,0,0,0|2,0,0]=4 7698 B13R0.1170 COC(=O)CCC(=O)CNCCCF 2230a_100015189416_100000691467 [0,2,0,0,0,0|2,0,0]=4 7699 B13R0.1170 COC(=O)CCC(=O)CNCCCF 34a_100015189416_100000691467 [0,2,0,0,0,0|2,0,0]=4 7700 B13R0.1170 COC(=O)CCC(=O)CNCCSC 2230a_100020590264_100000691467 [0,2,0,0,0,0|2,0,0]=4 7701 B13R0.1170 COC(=O)CCC(=O)COCCCBr 34a_100011217188_100000691467 [0,2,0,0,0,0|1,0,0]=3 7702 B13R0.1170 COC(=O)CCC(=O)COCCCCl 34a_100000230001_100000691467 [0,2,0,0,0,0|1,0,0]=3 7703 B13R0.1170 COC(=O)CCC(=O)COCCCF 34a_100000759539_100000691467 [0,2,0,0,0,0|1,0,0]=3 7704 B13R0.1170 COC(=O)CCC(=O)COCCCN 34a_100000182051_100000691467 [0,2,0,0,0,0|1,0,0]=3 7705 B13R0.1170 COC(=O)CCC(=O)COCCON 34a_100000700252_100000691467 [0,2,0,0,0,0|2,0,0]=4 7706 B13R0.1170 COC(=O)CCC(=O)COCCSC 34a_100000230434_100000691467 [0,2,0,0,0,0|1,0,0]=3 7707 B13R0.1170 COC(=O)CCC(=O)COCCSC 7a_100000230434_100000691467 [0,2,0,0,0,0|1,0,0]=3 7708 B13R0.1170 COC(=O)CCC(=O)CSCCCF 62a_100000691467_100011934791 [0,2,0,0,0,0|1,1,0]=4 7709 B13R0.1170 COC(=O)CCC(=O)CSCCCF 62a_100011934791_100000691467 [0,2,0,0,0,0|1,1,0]=4 7710 B13R0.1170 COC(=O)CCC(=O)CSCCCO 62a_100000691467_100011215043 [0,2,0,0,0,0|1,1,0]=4 7711 B13R0.1170 COC(=O)CCC(=O)CSCCCO 62a_100011215043_100000691467 [0,2,0,0,0,0|1,1,0]=4 7712 B13R0.1170 COC(=O)CCC(=O)CSCCSC 62a_100000212216_100000691467 [0,2,0,0,0,0|1,1,0]=4 7713 B13R0.1170 COC(=O)CCC(=O)CSCCSC 62a_100000691467_100000751147 [0,2,0,0,0,0|1,1,0]=4 7714 B13R0.1170 COC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000187943 [0,2,0,0,0,0|1,0,0]=3 7715 B13R0.1170 COC(=O)CCC(=O)NCCCCO 527a_100000750430_100000187943 [0,2,0,0,0,0|1,0,0]=3 7716 B13R0.1170 COC(=O)CCC(=O)NCCCSC 11a_100000749238_100000187943 [0,2,0,0,0,0|1,0,0]=3 7717 B13R0.1170 COC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000187943 [0,2,0,0,0,0|1,0,0]=3 7718 B13R0.1170 COC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000187943 [0,2,0,0,0,0|1,0,0]=3 7719 B13R0.1170 COC(=O)CCC(=O)NCCCSC 527a_100000749238_100000187943 [0,2,0,0,0,0|1,0,0]=3 7720 B13R0.1170 COC(=O)CNC(=O)CCCCCO 188690a_100000185156_100102619762 [0,2,0,0,0,0|2,0,0]=4 7721 B13R0.1170 COC(=O)CNC(=O)COCCCBr 34a_100011217188_100000182966 [0,2,0,0,0,0|2,0,0]=4 7722 B13R0.1170 COC(=O)CNC(=O)COCCCCl 34a_100000230001_100000182966 [0,2,0,0,0,0|2,0,0]=4 7723 B13R0.1170 COC(=O)CNC(=O)COCCCF 34a_100000759539_100000182966 [0,2,0,0,0,0|2,0,0]=4 7724 B13R0.1170 COC(=O)CNC(=O)COCCCN 34a_100000182051_100000182966 [0,2,0,0,0,0|2,0,0]=4 7725 B13R0.1170 COC(=O)CNC(=O)COCCSC 34a_100000230434_100000182966 [0,2,0,0,0,0|2,0,0]=4 7726 B13R0.1170 COC(=O)CNC(=O)COCCSC 7a_100000230434_100000182966 [0,2,0,0,0,0|2,0,0]=4 7727 B13R0.1170 COC(=O)NCC(=O)CCCCCF 1458a_100000215747_100000729378 [0,2,0,0,0,0|2,0,0]=4 7728 B13R0.1170 COC(=O)NCC(=O)CCCCCO 1458a_100000215747_100000746330 [0,2,0,0,0,0|2,0,0]=4 7729 B13R0.1170 COC(=O)NCC(=O)NCCCCO 240690a_100000750430_100000215747 [0,2,0,0,0,0|2,0,0]=4 7730 B13R0.1170 COC(=O)NCC(=O)NCCCCO 527a_100000750430_100000215747 [0,2,0,0,0,0|2,0,0]=4 7731 B13R0.1170 COC(=O)NCC(=O)NCCCSC 11a_100000749238_100000215747 [0,2,0,0,0,0|2,0,0]=4 7732 B13R0.1170 COC(=O)NCC(=O)NCCCSC 1626a_100000749238_100000215747 [0,2,0,0,0,0|2,0,0]=4 7733 B13R0.1170 COC(=O)NCC(=O)NCCCSC 240690a_100000749238_100000215747 [0,2,0,0,0,0|2,0,0]=4 7734 B13R0.1170 COC(=O)NCC(=O)NCCCSC 527a_100000749238_100000215747 [0,2,0,0,0,0|2,0,0]=4 7735 B13R0.1170 COCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000755781 [0,2,0,0,0,0|1,0,0]=3 7736 B13R0.1170 COCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000755781 [0,2,0,0,0,0|2,0,0]=4 7737 B13R0.1170 COCCCNC(=O)CCC(=O)OC 1626a_100150723488_100000187943 [0,2,0,0,0,0|1,0,0]=3 7738 B13R0.1170 COCCCNC(=O)CCC(=O)OC 240690a_100150723488_100000187943 [0,2,0,0,0,0|1,0,0]=3 7739 B13R0.1170 COCCCNC(=O)CCC(=O)OC 527a_100150723488_100000187943 [0,2,0,0,0,0|1,0,0]=3 7740 B13R0.1170 COCCCNC(=O)CNC(=O)OC 1626a_100150723488_100000215747 [0,2,0,0,0,0|2,0,0]=4 7741 B13R0.1170 COCCCNC(=O)CNC(=O)OC 240690a_100150723488_100000215747 [0,2,0,0,0,0|2,0,0]=4 7742 B13R0.1170 COCCCNC(=O)CNC(=O)OC 527a_100150723488_100000215747 [0,2,0,0,0,0|2,0,0]=4 7743 B13R0.1170 COCCNCC(=O)CCC(=O)OC 2230a_100000209980_100000691467 [0,2,0,0,0,0|2,0,0]=4 7744 B13R0.1170 COCCOCC(=O)CCC(=O)OC 34a_100000210237_100000691467 [0,2,0,0,0,0|1,0,0]=3 7745 B13R0.1170 COCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000211095 [0,2,0,0,0,0|2,0,0]=4 7746 B13R0.1170 COCCOCC(=O)NCC(=O)OC 34a_100000210237_100000182966 [0,2,0,0,0,0|2,0,0]=4 7747 B13R0.1170 COCCSCC(=O)CCC(=O)OC 62a_100000233755_100000691467 [0,2,0,0,0,0|1,1,0]=4 7748 B13R0.1170 COCCSCC(=O)CCC(=O)OC 62a_100000691467_100000233755 [0,2,0,0,0,0|1,1,0]=4 7749 B13R0.1170 O=C(CF)CCC(=O)OCCCCO 1458a_200009914559_100015361967 [0,2,0,0,0,0|0,0,0]=2 7750 B13R0.1256 CCCCNS(=O)(=O)CCC(=O)OC 270084a_100000102301_100000205946 [0,2,0,0,0,0|2,0,0]=4 7751 B13R0.1256 CCCCNS(=O)(=O)CCC(=O)OC 274078a_100000102301_100000205946 [0,2,0,0,0,0|2,0,0]=4 7752 B13R0.1521 CCCC(=O)CC(=O)CCC(=O)NC 1458a_100011309844_100000747444 [0,2,0,0,0,0|1,0,1]=4 7753 B13R0.1521 CCCC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000747444 [0,2,0,0,0,0|1,0,1]=4 7754 B13R0.1521 CCCC(=O)CC(=O)CCC(=O)OC 1458a_100000211992_100000691467 [0,2,0,0,0,0|1,0,1]=4 7755 B13R0.1521 CCCC(C)CC(=O)CCC(=O)NC 1458a_100011309844_100011216630 [0,2,0,0,0,0|1,0,0]=3 7756 B13R0.1521 CCCC(C)CC(=O)CCC(=O)OC 1458a_100000187943_100011216630 [0,2,0,0,0,0|1,0,0]=3 7757 B13R0.1521 CCCC(C)CC(=O)CCS(=O)CC 1458a_100011387550_100011216630 [0,2,0,0,0,0|2,0,0]=4 7758 B13R0.1521 CCCC(C)CC(=O)CNC(=O)CC 1458a_100000194589_100011216630 [0,2,0,0,0,0|2,0,0]=4 7759 B13R0.1521 CCCC(C)CC(=O)CNC(=O)OC 1458a_100000215747_100011216630 [0,2,0,0,0,0|2,0,0]=4 7760 B13R0.1521 CCCC(C)CC(=O)NCC(=O)NC 11a_100000693194_100000748435 [0,2,0,0,0,0|2,0,0]=4 7761 B13R0.1521 CCCC(C)CC(=O)NCC(=O)NC 240690a_100000693194_100000748435 [0,2,0,0,0,0|2,0,0]=4 7762 B13R0.1521 CCCC(C)CC(=O)NCC(=O)NC 527a_100000693194_100000748435 [0,2,0,0,0,0|2,0,0]=4 7763 B13R0.1521 CCCC(C)CC(=O)NCC(=O)OC 188690a_100000185156_100000748435 [0,2,0,0,0,0|2,0,0]=4 7764 B13R0.1521 CCCC(C)NC(=O)CCC(=O)NC 11a_100000741246_100011309844 [0,2,0,0,0,0|1,0,0]=3 7765 B13R0.1521 CCCC(C)NC(=O)CCC(=O)NC 1626a_100000741246_100011309844 [0,2,0,0,0,0|1,0,0]=3 7766 B13R0.1521 CCCC(C)NC(=O)CCC(=O)NC 240690a_100000741246_100011309844 [0,2,0,0,0,0|1,0,0]=3 7767 B13R0.1521 CCCC(C)NC(=O)CCC(=O)NC 527a_100000741246_100011309844 [0,2,0,0,0,0|1,0,0]=3 7768 B13R0.1521 CCCC(C)NC(=O)CCC(=O)OC 11a_100000741246_100000187943 [0,2,0,0,0,0|1,0,0]=3 7769 B13R0.1521 CCCC(C)NC(=O)CCC(=O)OC 1626a_100000741246_100000187943 [0,2,0,0,0,0|1,0,0]=3 7770 B13R0.1521 CCCC(C)NC(=O)CCC(=O)OC 240690a_100000741246_100000187943 [0,2,0,0,0,0|1,0,0]=3 7771 B13R0.1521 CCCC(C)NC(=O)CCC(=O)OC 527a_100000741246_100000187943 [0,2,0,0,0,0|1,0,0]=3 7772 B13R0.1521 CCCC(C)NC(=O)CCS(=O)CC 11a_100000741246_100011387550 [0,2,0,0,0,0|2,0,0]=4 7773 B13R0.1521 CCCC(C)NC(=O)CCS(=O)CC 1626a_100000741246_100011387550 [0,2,0,0,0,0|2,0,0]=4 7774 B13R0.1521 CCCC(C)NC(=O)CCS(=O)CC 240690a_100000741246_100011387550 [0,2,0,0,0,0|2,0,0]=4 7775 B13R0.1521 CCCC(C)NC(=O)CCS(=O)CC 527a_100000741246_100011387550 [0,2,0,0,0,0|2,0,0]=4 7776 B13R0.1521 CCCC(C)NC(=O)CNC(=O)CC 11a_100000741246_100000194589 [0,2,0,0,0,0|2,0,0]=4 7777 B13R0.1521 CCCC(C)NC(=O)CNC(=O)CC 1626a_100000741246_100000194589 [0,2,0,0,0,0|2,0,0]=4 7778 B13R0.1521 CCCC(C)NC(=O)CNC(=O)CC 240690a_100000741246_100000194589 [0,2,0,0,0,0|2,0,0]=4 7779 B13R0.1521 CCCC(C)NC(=O)CNC(=O)CC 527a_100000741246_100000194589 [0,2,0,0,0,0|2,0,0]=4 7780 B13R0.1521 CCCC(C)NC(=O)CNC(=O)OC 11a_100000741246_100000215747 [0,2,0,0,0,0|2,0,0]=4 7781 B13R0.1521 CCCC(C)NC(=O)CNC(=O)OC 1626a_100000741246_100000215747 [0,2,0,0,0,0|2,0,0]=4 7782 B13R0.1521 CCCC(C)NC(=O)CNC(=O)OC 240690a_100000741246_100000215747 [0,2,0,0,0,0|2,0,0]=4 7783 B13R0.1521 CCCC(C)NC(=O)CNC(=O)OC 527a_100000741246_100000215747 [0,2,0,0,0,0|2,0,0]=4 7784 B13R0.1521 CCCC(C)NC(=O)NCC(=O)NC 2708a_100000741246_100000693194 [0,2,0,0,0,0|2,0,0]=4 7785 B13R0.1521 CCCC(C)NC(=O)NCC(=O)NC 273464a_100000741246_100000693194 [0,2,0,0,0,0|2,0,0]=4 7786 B13R0.1521 CCCC(C)NC(=O)NCC(=O)NC 512a_100000741246_100000693194 [0,2,0,0,0,0|2,0,0]=4 7787 B13R0.1521 CCCN(C)CC(=O)CCC(=O)OC 2230a_100000747261_100000691467 [0,2,0,0,0,0|2,0,0]=4 7788 B13R0.1521 CCCN(C)CC(=O)CCC(=O)OC 269982a_100000747261_100000691467 [0,2,0,0,0,0|2,0,0]=4 7789 B13R0.1521 CNC(=O)CCC(=O)N[C@H](C)CCO 240690a_100000706166_100011309844 [0,2,0,0,0,0|2,0,0]=4 7790 B13R0.1521 CNC(=O)CCC(=O)N[C@H](C)CCO 527a_100000706166_100011309844 [0,2,0,0,0,0|2,0,0]=4 7791 B13R0.1521 CNC(=O)CCC(=O)N[C@H](C)COC 11a_100000764878_100011309844 [0,2,0,0,0,0|2,0,0]=4 7792 B13R0.1521 CNC(=O)CCC(=O)N[C@H](C)COC 1626a_100000764878_100011309844 [0,2,0,0,0,0|2,0,0]=4 7793 B13R0.1521 CNC(=O)CCC(=O)N[C@H](C)COC 240690a_100000764878_100011309844 [0,2,0,0,0,0|2,0,0]=4 7794 B13R0.1521 CNC(=O)CCC(=O)N[C@H](C)COC 527a_100000764878_100011309844 [0,2,0,0,0,0|2,0,0]=4 7795 B13R0.1521 COC(=O)CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000187943 [0,2,0,0,0,0|2,0,0]=4 7796 B13R0.1521 COC(=O)CCC(=O)N[C@H](C)CCO 527a_100000706166_100000187943 [0,2,0,0,0,0|2,0,0]=4 7797 B13R0.1521 COC[C@@H](C)NC(=O)CCC(=O)OC 11a_100000764878_100000187943 [0,2,0,0,0,0|2,0,0]=4 7798 B13R0.1521 COC[C@@H](C)NC(=O)CCC(=O)OC 1626a_100000764878_100000187943 [0,2,0,0,0,0|2,0,0]=4 7799 B13R0.1521 COC[C@@H](C)NC(=O)CCC(=O)OC 240690a_100000764878_100000187943 [0,2,0,0,0,0|2,0,0]=4 7800 B13R0.1521 COC[C@@H](C)NC(=O)CCC(=O)OC 527a_100000764878_100000187943 [0,2,0,0,0,0|2,0,0]=4 7801 B13R0.95 C=C(C)CCC(=O)COC(=O)CCC 1458a_200000688413_100000034017 [0,2,0,0,0,0|1,0,1]=4 7802 B13R0.95 C=C(C)CCC(=O)NCC(O)COC 240690a_100000756049_200000688413 [0,2,0,0,0,0|2,0,0]=4 7803 B13R0.95 C=C(C)CCC(=O)NCC(O)COC 527a_100000756049_200000688413 [0,2,0,0,0,0|2,0,0]=4 7804 B13R0.95 CC(=O)OCC(=O)COC(C)CCBr 34a_100012276601_100000036994 [0,2,0,0,0,0|2,0,0]=4 7805 B13R0.95 CCCC(=O)CNC(=O)CNC(=O)C 1458a_100000195220_100000210303 [0,2,0,0,0,0|2,0,0]=4 7806 B13R0.95 CCCC(=O)OCC(=O)CCC(=O)N 1458a_100011215257_100000034017 [0,2,0,0,0,0|1,0,1]=4 7807 B13R0.95 CCCC(=O)OCC(=O)CNC(=O)C 1458a_100000194580_100000034017 [0,2,0,0,0,0|1,0,1]=4 7808 B13R0.95 CCCC(=O)OCC(=O)COC(=O)C 1458a_100000183556_100000034017 [0,2,0,0,0,0|1,0,1]=4 7809 B13R0.95 CCCC(=O)OCC(=O)CSC(=O)C 1458a_100000049016_100000034017 [0,2,0,0,0,0|1,0,1]=4 7810 B13R0.95 CCCC(C)OCC(=O)COC(=O)C 34a_100000764384_100000036994 [0,2,0,0,0,0|1,0,0]=3 7811 B13R0.95 CCCC(C)OCC(=O)NNC(=O)C 7a_100000764384_100000181415 [0,2,0,0,0,0|2,0,0]=4 7812 B13R0.95 CCCC(C)SCC(=O)COC(=O)C 62a_100000036994_100000766640 [0,2,0,0,0,0|1,1,0]=4 7813 B13R0.95 CCCC(C)SCC(=O)COC(=O)C 62a_100000766640_100000036994 [0,2,0,0,0,0|1,1,0]=4 7814 B13R0.95 COCC(O)CNC(=O)CCC(=O)N 240690a_100000756049_100011215257 [0,2,0,0,0,0|2,0,0]=4 7815 B13R0.95 COCC(O)CNC(=O)CCC(=O)N 527a_100000756049_100011215257 [0,2,0,0,0,0|2,0,0]=4 7816 B13R0.95 COCC(O)CNC(=O)CNC(=O)C 240690a_100000756049_100000194580 [0,2,0,0,0,0|2,0,0]=4 7817 B13R0.95 COCC(O)CNC(=O)CNC(=O)C 527a_100000756049_100000194580 [0,2,0,0,0,0|2,0,0]=4 7818 B13R0.95 COCC(O)CNC(=O)COC(=O)C 240690a_100000756049_100000183556 [0,2,0,0,0,0|2,0,0]=4 7819 B13R0.95 COCC(O)CNC(=O)COC(=O)C 527a_100000756049_100000183556 [0,2,0,0,0,0|2,0,0]=4 7820 B13R0.95 COCC(O)CNC(=O)CSC(=O)C 240690a_100000756049_100000049016 [0,2,0,0,0,0|2,0,0]=4 7821 B13R0.95 COC[C@@H](C)OCC(=O)COC(=O)C 34a_100011934205_100000036994 [0,2,0,0,0,0|2,0,0]=4 7822 B13R0.962 CCC(C)CCC(=O)CCS(=O)(=O)C 1458a_100000701222_100000731031 [0,2,0,0,0,0|2,0,0]=4 7823 B13R0.962 CCC(C)CNC(=O)CCS(=O)(=O)C 11a_100020588543_100000737124 [0,2,0,0,0,0|2,0,0]=4 7824 B13R0.962 CCC(C)CNC(=O)CCS(=O)(=O)C 1626a_100020588543_100000737124 [0,2,0,0,0,0|2,0,0]=4 7825 B13R0.962 CCC(C)CNC(=O)CCS(=O)(=O)C 240690a_100020588543_100000737124 [0,2,0,0,0,0|2,0,0]=4 7826 B13R0.962 CCC(C)CNC(=O)CCS(=O)(=O)C 527a_100020588543_100000737124 [0,2,0,0,0,0|2,0,0]=4 7827 B13R0.962 CCC(O)CNC(=O)CCS(=O)(=O)C 11a_100011218483_100000737124 [0,2,0,0,0,0|2,0,0]=4 7828 B13R0.962 CCC(O)CNC(=O)CCS(=O)(=O)C 240690a_100011218483_100000737124 [0,2,0,0,0,0|2,0,0]=4 7829 B13R0.962 CCC(O)CNC(=O)CCS(=O)(=O)C 527a_100011218483_100000737124 [0,2,0,0,0,0|2,0,0]=4 7830 B13R0.1124 C=C(C)CCC(=O)NCC(CC)CC 11a_100102946423_200000688413 [0,2,0,0,0,0|2,0,0]=4 7831 B13R0.1124 C=C(C)CCC(=O)NCC(CC)CC 1626a_100102946423_200000688413 [0,2,0,0,0,0|2,0,0]=4 7832 B13R0.1124 C=C(C)CCC(=O)NCC(CC)CC 240690a_100102946423_200000688413 [0,2,0,0,0,0|2,0,0]=4 7833 B13R0.1124 C=C(C)CCC(=O)NCC(CC)CC 527a_100102946423_200000688413 [0,2,0,0,0,0|2,0,0]=4 7834 B13R0.1124 C=C(C)CCC(=O)NCC(CC)OC 11a_100000731041_200000688413 [0,2,0,0,0,0|2,0,0]=4 7835 B13R0.1124 C=C(C)CCC(=O)NCC(CC)OC 1626a_100000731041_200000688413 [0,2,0,0,0,0|2,0,0]=4 7836 B13R0.1124 C=C(C)CCC(=O)NCC(CC)OC 240690a_100000731041_200000688413 [0,2,0,0,0,0|2,0,0]=4 7837 B13R0.1124 C=C(C)CCC(=O)NCC(CC)OC 527a_100000731041_200000688413 [0,2,0,0,0,0|2,0,0]=4 7838 B13R0.1124 CCC(CC)CNC(=O)CCC(=O)N 240690a_100102946423_100011215257 [0,2,0,0,0,0|2,0,0]=4 7839 B13R0.1124 CCC(CC)CNC(=O)CCC(=O)N 527a_100102946423_100011215257 [0,2,0,0,0,0|2,0,0]=4 7840 B13R0.1124 CCC(CC)CNC(=O)CNC(=O)C 11a_100102946423_100000194580 [0,2,0,0,0,0|2,0,0]=4 7841 B13R0.1124 CCC(CC)CNC(=O)CNC(=O)C 1626a_100102946423_100000194580 [0,2,0,0,0,0|2,0,0]=4 7842 B13R0.1124 CCC(CC)CNC(=O)CNC(=O)C 240690a_100102946423_100000194580 [0,2,0,0,0,0|2,0,0]=4 7843 B13R0.1124 CCC(CC)CNC(=O)CNC(=O)C 527a_100102946423_100000194580 [0,2,0,0,0,0|2,0,0]=4 7844 B13R0.1124 CCC(CC)CNC(=O)COC(=O)C 1626a_100102946423_100000183556 [0,2,0,0,0,0|2,0,0]=4 7845 B13R0.1124 CCC(CC)CNC(=O)COC(=O)C 240690a_100102946423_100000183556 [0,2,0,0,0,0|2,0,0]=4 7846 B13R0.1124 CCC(CC)CNC(=O)COC(=O)C 527a_100102946423_100000183556 [0,2,0,0,0,0|2,0,0]=4 7847 B13R0.1124 CCC(CC)CNC(=O)CSC(=O)C 11a_100102946423_100000049016 [0,2,0,0,0,0|2,0,0]=4 7848 B13R0.1124 CCC(CC)CNC(=O)CSC(=O)C 1626a_100102946423_100000049016 [0,2,0,0,0,0|2,0,0]=4 7849 B13R0.1124 CCC(CC)CNC(=O)CSC(=O)C 240690a_100102946423_100000049016 [0,2,0,0,0,0|2,0,0]=4 7850 B13R0.1124 CCC(CNC(=O)CCC(=O)N)OC 240690a_100000731041_100011215257 [0,2,0,0,0,0|2,0,0]=4 7851 B13R0.1124 CCC(CNC(=O)CCC(=O)N)OC 527a_100000731041_100011215257 [0,2,0,0,0,0|2,0,0]=4 7852 B13R0.1124 CCC(CNC(=O)CNC(=O)C)OC 11a_100000731041_100000194580 [0,2,0,0,0,0|2,0,0]=4 7853 B13R0.1124 CCC(CNC(=O)CNC(=O)C)OC 1626a_100000731041_100000194580 [0,2,0,0,0,0|2,0,0]=4 7854 B13R0.1124 CCC(CNC(=O)CNC(=O)C)OC 240690a_100000731041_100000194580 [0,2,0,0,0,0|2,0,0]=4 7855 B13R0.1124 CCC(CNC(=O)CNC(=O)C)OC 527a_100000731041_100000194580 [0,2,0,0,0,0|2,0,0]=4 7856 B13R0.1124 CCC(CNC(=O)COC(=O)C)OC 1626a_100000731041_100000183556 [0,2,0,0,0,0|2,0,0]=4 7857 B13R0.1124 CCC(CNC(=O)COC(=O)C)OC 240690a_100000731041_100000183556 [0,2,0,0,0,0|2,0,0]=4 7858 B13R0.1124 CCC(CNC(=O)COC(=O)C)OC 527a_100000731041_100000183556 [0,2,0,0,0,0|2,0,0]=4 7859 B13R0.1124 CCC(CNC(=O)CSC(=O)C)OC 11a_100000731041_100000049016 [0,2,0,0,0,0|2,0,0]=4 7860 B13R0.1124 CCC(CNC(=O)CSC(=O)C)OC 1626a_100000731041_100000049016 [0,2,0,0,0,0|2,0,0]=4 7861 B13R0.1124 CCC(CNC(=O)CSC(=O)C)OC 240690a_100000731041_100000049016 [0,2,0,0,0,0|2,0,0]=4 7862 B13R0.154 C#CCCCCCC(=O)CCC(=C)C 1458a_100000694772_100000730704 [0,2,0,0,0,0|2,0,0]=4 7863 B13R0.154 C#CCCCCCC(=O)CCC(=C)C 1458a_200000688413_100012094781 [0,2,0,0,0,0|2,0,0]=4 7864 B13R0.154 C#CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100012094781 [0,2,0,0,0,0|2,0,0]=4 7865 B13R0.154 C#CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100012094781 [0,2,0,0,0,0|2,0,0]=4 7866 B13R0.154 C#CCCCCCC(=O)COC(=O)C 1458a_100000183556_100012094781 [0,2,0,0,0,0|2,0,0]=4 7867 B13R0.154 C#CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100012094781 [0,2,0,0,0,0|2,0,0]=4 7868 B13R0.154 C#CCCCCNC(=O)CCC(=C)C 11a_100000706060_200000688413 [0,2,0,0,0,0|2,0,0]=4 7869 B13R0.154 C#CCCCCNC(=O)CCC(=C)C 1626a_100000706060_200000688413 [0,2,0,0,0,0|2,0,0]=4 7870 B13R0.154 C#CCCCCNC(=O)CCC(=C)C 240690a_100000706060_200000688413 [0,2,0,0,0,0|2,0,0]=4 7871 B13R0.154 C#CCCCCNC(=O)CCC(=C)C 527a_100000706060_200000688413 [0,2,0,0,0,0|2,0,0]=4 7872 B13R0.154 C#CCCCCNC(=O)CCC(=O)N 240690a_100000706060_100011215257 [0,2,0,0,0,0|2,0,0]=4 7873 B13R0.154 C#CCCCCNC(=O)CCC(=O)N 527a_100000706060_100011215257 [0,2,0,0,0,0|2,0,0]=4 7874 B13R0.154 C#CCCCCNC(=O)CNC(=O)C 11a_100000706060_100000194580 [0,2,0,0,0,0|2,0,0]=4 7875 B13R0.154 C#CCCCCNC(=O)CNC(=O)C 1626a_100000706060_100000194580 [0,2,0,0,0,0|2,0,0]=4 7876 B13R0.154 C#CCCCCNC(=O)CNC(=O)C 240690a_100000706060_100000194580 [0,2,0,0,0,0|2,0,0]=4 7877 B13R0.154 C#CCCCCNC(=O)CNC(=O)C 527a_100000706060_100000194580 [0,2,0,0,0,0|2,0,0]=4 7878 B13R0.154 C#CCCCCNC(=O)COC(=O)C 1626a_100000706060_100000183556 [0,2,0,0,0,0|2,0,0]=4 7879 B13R0.154 C#CCCCCNC(=O)COC(=O)C 240690a_100000706060_100000183556 [0,2,0,0,0,0|2,0,0]=4 7880 B13R0.154 C#CCCCCNC(=O)COC(=O)C 527a_100000706060_100000183556 [0,2,0,0,0,0|2,0,0]=4 7881 B13R0.154 C#CCCCCNC(=O)CSC(=O)C 11a_100000706060_100000049016 [0,2,0,0,0,0|2,0,0]=4 7882 B13R0.154 C#CCCCCNC(=O)CSC(=O)C 1626a_100000706060_100000049016 [0,2,0,0,0,0|2,0,0]=4 7883 B13R0.154 C#CCCCCNC(=O)CSC(=O)C 240690a_100000706060_100000049016 [0,2,0,0,0,0|2,0,0]=4 7884 B13R0.154 C#CCCCOCC(=O)COC(=O)C 34a_100000215630_100000036994 [0,2,0,0,0,0|1,0,1]=4 7885 B13R0.154 C/C=C/CCOCC(=O)COC(=O)C 34a_100016278192_100000036994 [0,2,0,0,0,0|1,0,1]=4 7886 B13R0.154 C=C(C)CCC(=O)C#CCCCCC 1458a_100011215388_100000730704 [0,2,0,0,0,0|2,0,0]=4 7887 B13R0.154 C=C(C)CCC(=O)C/C=C/CCCC 1458a_200016282684_100000730704 [0,2,0,0,0,0|2,0,0]=4 7888 B13R0.154 C=C(C)CCC(=O)C=CCCCCC 1458a_100016263427_100000730704 [0,2,0,0,0,0|2,0,0]=4 7889 B13R0.154 C=C(C)CCC(=O)CCCCCC#N 1458a_200000688413_100009813376 [0,2,0,0,0,0|2,0,0]=4 7890 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,2,0,0,0,0|2,0,0]=4 7891 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,2,0,0,0,0|2,0,0]=4 7892 B13R0.154 C=C(C)CCC(=O)CCCCCCF 1458a_200000688413_100015922095 [0,2,0,0,0,0|2,0,0]=4 7893 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_100011996774_100000730704 [0,2,0,0,0,0|2,0,0]=4 7894 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_200000688413_100000766143 [0,2,0,0,0,0|2,0,0]=4 7895 B13R0.154 C=C(C)CCC(=O)CCCCCOC 1458a_100011935119_100000730704 [0,2,0,0,0,0|2,0,0]=4 7896 B13R0.154 C=C(C)CCC(=O)CCOCCCC 1458a_200000688413_100000743108 [0,2,0,0,0,0|1,0,0]=3 7897 B13R0.154 C=C(C)CCC(=O)CCOCCOC 1458a_100000745395_100000730704 [0,2,0,0,0,0|2,0,0]=4 7898 B13R0.154 C=C(C)CCC(=O)CCOCCOC 1458a_200000688413_100000695917 [0,2,0,0,0,0|2,0,0]=4 7899 B13R0.154 C=C(C)CCC(=O)NCCCCC#N 11a_100000751965_200000688413 [0,2,0,0,0,0|2,0,0]=4 7900 B13R0.154 C=C(C)CCC(=O)NCCCCC#N 1626a_100000751965_200000688413 [0,2,0,0,0,0|2,0,0]=4 7901 B13R0.154 C=C(C)CCC(=O)NCCCCC#N 240690a_100000751965_200000688413 [0,2,0,0,0,0|2,0,0]=4 7902 B13R0.154 C=C(C)CCC(=O)NCCCCC#N 527a_100000751965_200000688413 [0,2,0,0,0,0|2,0,0]=4 7903 B13R0.154 C=C(C)CCC(=O)NCCCCCC 11a_100000210581_200000688413 [0,2,0,0,0,0|2,0,0]=4 7904 B13R0.154 C=C(C)CCC(=O)NCCCCCC 1626a_100000210581_200000688413 [0,2,0,0,0,0|2,0,0]=4 7905 B13R0.154 C=C(C)CCC(=O)NCCCCCC 240690a_100000210581_200000688413 [0,2,0,0,0,0|2,0,0]=4 7906 B13R0.154 C=C(C)CCC(=O)NCCCCCC 527a_100000210581_200000688413 [0,2,0,0,0,0|2,0,0]=4 7907 B13R0.154 C=C(C)CCC(=O)NCCCCCO 240690a_100000762737_200000688413 [0,2,0,0,0,0|2,0,0]=4 7908 B13R0.154 C=C(C)CCC(=O)NCCCOCC 11a_100000210961_200000688413 [0,2,0,0,0,0|2,0,0]=4 7909 B13R0.154 C=C(C)CCC(=O)NCCCOCC 1626a_100000210961_200000688413 [0,2,0,0,0,0|2,0,0]=4 7910 B13R0.154 C=C(C)CCC(=O)NCCCOCC 240690a_100000210961_200000688413 [0,2,0,0,0,0|2,0,0]=4 7911 B13R0.154 C=C(C)CCC(=O)NCCCOCC 527a_100000210961_200000688413 [0,2,0,0,0,0|2,0,0]=4 7912 B13R0.154 C=C(C)CCC(=O)NCCOCCC 1626a_100161115042_200000688413 [0,2,0,0,0,0|2,0,0]=4 7913 B13R0.154 C=C(C)CCC(=O)NCCOCCC 240690a_100161115042_200000688413 [0,2,0,0,0,0|2,0,0]=4 7914 B13R0.154 C=C(C)CCC(=O)NCCOCCC 527a_100161115042_200000688413 [0,2,0,0,0,0|2,0,0]=4 7915 B13R0.154 C=C(C)CCC(=O)NCCOCCO 240690a_100000211614_200000688413 [0,2,0,0,0,0|2,0,0]=4 7916 B13R0.154 C=C(C)CCC(=O)NCCSCCC 11a_100020603323_200000688413 [0,2,0,0,0,0|2,0,0]=4 7917 B13R0.154 C=C(C)CCC(=O)NCCSCCC 240690a_100020603323_200000688413 [0,2,0,0,0,0|2,0,0]=4 7918 B13R0.154 C=C(C)CCC(=O)NCCSCCC 527a_100020603323_200000688413 [0,2,0,0,0,0|2,0,0]=4 7919 B13R0.154 C=C(C)CCC(=O)NCCSCCO 240690a_100011219999_200000688413 [0,2,0,0,0,0|2,0,0]=4 7920 B13R0.154 C=C(C)CCC(=O)NCCSCCO 527a_100011219999_200000688413 [0,2,0,0,0,0|2,0,0]=4 7921 B13R0.154 C=C(C)CCC(=O)NNCCCCC 22a_100000694160_200000688413 [0,2,0,0,0,0|2,0,0]=4 7922 B13R0.154 C=C(C)CCC(=O)NNCCCOC 22a_100025702787_200000688413 [0,2,0,0,0,0|2,0,0]=4 7923 B13R0.154 C=C(C)CCC(=O)NNCCOCC 22a_100000732670_200000688413 [0,2,0,0,0,0|2,0,0]=4 7924 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_100011934241_100000730704 [0,2,0,0,0,0|2,0,0]=4 7925 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_200000688413_100000700193 [0,2,0,0,0,0|2,0,0]=4 7926 B13R0.154 C=CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000700193 [0,2,0,0,0,0|2,0,0]=4 7927 B13R0.154 C=CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000700193 [0,2,0,0,0,0|2,0,0]=4 7928 B13R0.154 C=CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000700193 [0,2,0,0,0,0|2,0,0]=4 7929 B13R0.154 C=CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000700193 [0,2,0,0,0,0|2,0,0]=4 7930 B13R0.154 C=CCCCCNC(=O)CCC(=C)C 11a_100000703577_200000688413 [0,2,0,0,0,0|2,0,0]=4 7931 B13R0.154 C=CCCCCNC(=O)CCC(=C)C 1626a_100000703577_200000688413 [0,2,0,0,0,0|2,0,0]=4 7932 B13R0.154 C=CCCCCNC(=O)CCC(=C)C 240690a_100000703577_200000688413 [0,2,0,0,0,0|2,0,0]=4 7933 B13R0.154 C=CCCCCNC(=O)CCC(=C)C 527a_100000703577_200000688413 [0,2,0,0,0,0|2,0,0]=4 7934 B13R0.154 C=CCCCCNC(=O)CCC(=O)N 240690a_100000703577_100011215257 [0,2,0,0,0,0|2,0,0]=4 7935 B13R0.154 C=CCCCCNC(=O)CCC(=O)N 527a_100000703577_100011215257 [0,2,0,0,0,0|2,0,0]=4 7936 B13R0.154 C=CCCCCNC(=O)CNC(=O)C 11a_100000703577_100000194580 [0,2,0,0,0,0|2,0,0]=4 7937 B13R0.154 C=CCCCCNC(=O)CNC(=O)C 1626a_100000703577_100000194580 [0,2,0,0,0,0|2,0,0]=4 7938 B13R0.154 C=CCCCCNC(=O)CNC(=O)C 240690a_100000703577_100000194580 [0,2,0,0,0,0|2,0,0]=4 7939 B13R0.154 C=CCCCCNC(=O)CNC(=O)C 527a_100000703577_100000194580 [0,2,0,0,0,0|2,0,0]=4 7940 B13R0.154 C=CCCCCNC(=O)COC(=O)C 1626a_100000703577_100000183556 [0,2,0,0,0,0|2,0,0]=4 7941 B13R0.154 C=CCCCCNC(=O)COC(=O)C 240690a_100000703577_100000183556 [0,2,0,0,0,0|2,0,0]=4 7942 B13R0.154 C=CCCCCNC(=O)COC(=O)C 527a_100000703577_100000183556 [0,2,0,0,0,0|2,0,0]=4 7943 B13R0.154 C=CCCCCNC(=O)CSC(=O)C 11a_100000703577_100000049016 [0,2,0,0,0,0|2,0,0]=4 7944 B13R0.154 C=CCCCCNC(=O)CSC(=O)C 1626a_100000703577_100000049016 [0,2,0,0,0,0|2,0,0]=4 7945 B13R0.154 C=CCCCCNC(=O)CSC(=O)C 240690a_100000703577_100000049016 [0,2,0,0,0,0|2,0,0]=4 7946 B13R0.154 C=CCCCOCC(=O)COC(=O)C 34a_100000758997_100000036994 [0,2,0,0,0,0|1,0,1]=4 7947 B13R0.154 CC#CCCOCC(=O)COC(=O)C 34a_100000750427_100000036994 [0,2,0,0,0,0|1,0,1]=4 7948 B13R0.154 CC(=O)NCC(=O)CCCCCC#N 1458a_100000194580_100009813376 [0,2,0,0,0,0|2,0,0]=4 7949 B13R0.154 CC(=O)NCC(=O)CCCCCCF 1458a_100000194580_100015922095 [0,2,0,0,0,0|2,0,0]=4 7950 B13R0.154 CC(=O)NCC(=O)CCCCCCO 1458a_100000194580_100000766143 [0,2,0,0,0,0|2,0,0]=4 7951 B13R0.154 CC(=O)NCC(=O)NCCCCC#N 11a_100000751965_100000194580 [0,2,0,0,0,0|2,0,0]=4 7952 B13R0.154 CC(=O)NCC(=O)NCCCCC#N 1626a_100000751965_100000194580 [0,2,0,0,0,0|2,0,0]=4 7953 B13R0.154 CC(=O)NCC(=O)NCCCCC#N 240690a_100000751965_100000194580 [0,2,0,0,0,0|2,0,0]=4 7954 B13R0.154 CC(=O)NCC(=O)NCCCCC#N 527a_100000751965_100000194580 [0,2,0,0,0,0|2,0,0]=4 7955 B13R0.154 CC(=O)NCC(=O)NCCCCCO 240690a_100000762737_100000194580 [0,2,0,0,0,0|2,0,0]=4 7956 B13R0.154 CC(=O)NCC(=O)NCCOCCO 240690a_100000211614_100000194580 [0,2,0,0,0,0|2,0,0]=4 7957 B13R0.154 CC(=O)NCC(=O)NCCSCCO 240690a_100011219999_100000194580 [0,2,0,0,0,0|2,0,0]=4 7958 B13R0.154 CC(=O)NCC(=O)NCCSCCO 527a_100011219999_100000194580 [0,2,0,0,0,0|2,0,0]=4 7959 B13R0.154 CC(=O)NNC(=O)COCCCCCl 7a_100000210776_100000181415 [0,2,0,0,0,0|2,0,0]=4 7960 B13R0.154 CC(=O)NNC(=O)COCCCCF 7a_100011995726_100000181415 [0,2,0,0,0,0|2,0,0]=4 7961 B13R0.154 CC(=O)OCC(=O)CCCCCC#N 1458a_100000183556_100009813376 [0,2,0,0,0,0|2,0,0]=4 7962 B13R0.154 CC(=O)OCC(=O)CCCCCCF 1458a_100000183556_100015922095 [0,2,0,0,0,0|2,0,0]=4 7963 B13R0.154 CC(=O)OCC(=O)CCCCCCO 1458a_100000183556_100000766143 [0,2,0,0,0,0|2,0,0]=4 7964 B13R0.154 CC(=O)OCC(=O)CNCCCCO 34a_100000750430_100000036994 [0,2,0,0,0,0|2,0,0]=4 7965 B13R0.154 CC(=O)OCC(=O)COCCCCBr 34a_100011216708_100000036994 [0,2,0,0,0,0|1,0,0]=3 7966 B13R0.154 CC(=O)OCC(=O)COCCCCCl 34a_100000210776_100000036994 [0,2,0,0,0,0|1,0,0]=3 7967 B13R0.154 CC(=O)OCC(=O)COCCCCF 34a_100011995726_100000036994 [0,2,0,0,0,0|1,0,0]=3 7968 B13R0.154 CC(=O)OCC(=O)COCCCCI 34a_200012148704_100000036994 [0,2,0,0,0,0|1,0,0]=3 7969 B13R0.154 CC(=O)OCC(=O)COCCCCN 34a_100000750430_100000036994 [0,2,0,0,0,0|1,0,0]=3 7970 B13R0.154 CC(=O)OCC(=O)CSCCCCF 62a_100000036994_100000729493 [0,2,0,0,0,0|1,1,0]=4 7971 B13R0.154 CC(=O)OCC(=O)CSCCCCF 62a_100000729493_100000036994 [0,2,0,0,0,0|1,1,0]=4 7972 B13R0.154 CC(=O)OCC(=O)CSCCCCO 62a_100000036994_100000210776 [0,2,0,0,0,0|1,1,0]=4 7973 B13R0.154 CC(=O)OCC(=O)CSCCCCO 62a_100000210776_100000036994 [0,2,0,0,0,0|1,1,0]=4 7974 B13R0.154 CC(=O)OCC(=O)NCCCCC#N 1626a_100000751965_100000183556 [0,2,0,0,0,0|2,0,0]=4 7975 B13R0.154 CC(=O)OCC(=O)NCCCCC#N 240690a_100000751965_100000183556 [0,2,0,0,0,0|2,0,0]=4 7976 B13R0.154 CC(=O)OCC(=O)NCCCCC#N 527a_100000751965_100000183556 [0,2,0,0,0,0|2,0,0]=4 7977 B13R0.154 CC(=O)OCC(=O)NCCCCCO 240690a_100000762737_100000183556 [0,2,0,0,0,0|2,0,0]=4 7978 B13R0.154 CC(=O)OCC(=O)NCCOCCO 240690a_100000211614_100000183556 [0,2,0,0,0,0|2,0,0]=4 7979 B13R0.154 CC(=O)OCC(=O)NCCSCCO 240690a_100011219999_100000183556 [0,2,0,0,0,0|2,0,0]=4 7980 B13R0.154 CC(=O)OCC(=O)NCCSCCO 527a_100011219999_100000183556 [0,2,0,0,0,0|2,0,0]=4 7981 B13R0.154 CC(=O)SCC(=O)CCCCCC#N 1458a_100000049016_100009813376 [0,2,0,0,0,0|2,0,0]=4 7982 B13R0.154 CC(=O)SCC(=O)CCCCCCF 1458a_100000049016_100015922095 [0,2,0,0,0,0|2,0,0]=4 7983 B13R0.154 CC(=O)SCC(=O)CCCCCCO 1458a_100000049016_100000766143 [0,2,0,0,0,0|2,0,0]=4 7984 B13R0.154 CC(=O)SCC(=O)NCCCCC#N 11a_100000751965_100000049016 [0,2,0,0,0,0|2,0,0]=4 7985 B13R0.154 CC(=O)SCC(=O)NCCCCC#N 1626a_100000751965_100000049016 [0,2,0,0,0,0|2,0,0]=4 7986 B13R0.154 CC(=O)SCC(=O)NCCCCC#N 240690a_100000751965_100000049016 [0,2,0,0,0,0|2,0,0]=4 7987 B13R0.154 CC(=O)SCC(=O)NCCCCCO 240690a_100000762737_100000049016 [0,2,0,0,0,0|2,0,0]=4 7988 B13R0.154 CC(=O)SCC(=O)NCCOCCO 240690a_100000211614_100000049016 [0,2,0,0,0,0|2,0,0]=4 7989 B13R0.154 CC(=O)SCC(=O)NCCSCCO 240690a_100011219999_100000049016 [0,2,0,0,0,0|2,0,0]=4 7990 B13R0.154 CC/C=C\COCC(=O)COC(=O)C 34a_100016268518_100000036994 [0,2,0,0,0,0|1,0,1]=4 7991 B13R0.154 CCC#CCOCC(=O)COC(=O)C 34a_100000032950_100000036994 [0,2,0,0,0,0|1,0,1]=4 7992 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|2,0,0]=4 7993 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [0,2,0,0,0,0|2,0,0]=4 7994 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [0,2,0,0,0,0|2,0,0]=4 7995 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [0,2,0,0,0,0|2,0,0]=4 7996 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,2,0,0,0,0|2,0,0]=4 7997 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,2,0,0,0,0|2,0,0]=4 7998 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|2,0,0]=4 7999 B13R0.154 CCCCCCNC(=O)CCC(=O)N 240690a_100000210581_100011215257 [0,2,0,0,0,0|2,0,0]=4 8000 B13R0.154 CCCCCCNC(=O)CCC(=O)N 527a_100000210581_100011215257 [0,2,0,0,0,0|2,0,0]=4 8001 B13R0.154 CCCCCCNC(=O)CNC(=O)C 11a_100000210581_100000194580 [0,2,0,0,0,0|2,0,0]=4 8002 B13R0.154 CCCCCCNC(=O)CNC(=O)C 1626a_100000210581_100000194580 [0,2,0,0,0,0|2,0,0]=4 8003 B13R0.154 CCCCCCNC(=O)CNC(=O)C 240690a_100000210581_100000194580 [0,2,0,0,0,0|2,0,0]=4 8004 B13R0.154 CCCCCCNC(=O)CNC(=O)C 527a_100000210581_100000194580 [0,2,0,0,0,0|2,0,0]=4 8005 B13R0.154 CCCCCCNC(=O)COC(=O)C 1626a_100000210581_100000183556 [0,2,0,0,0,0|2,0,0]=4 8006 B13R0.154 CCCCCCNC(=O)COC(=O)C 240690a_100000210581_100000183556 [0,2,0,0,0,0|2,0,0]=4 8007 B13R0.154 CCCCCCNC(=O)COC(=O)C 527a_100000210581_100000183556 [0,2,0,0,0,0|2,0,0]=4 8008 B13R0.154 CCCCCCNC(=O)CSC(=O)C 11a_100000210581_100000049016 [0,2,0,0,0,0|2,0,0]=4 8009 B13R0.154 CCCCCCNC(=O)CSC(=O)C 1626a_100000210581_100000049016 [0,2,0,0,0,0|2,0,0]=4 8010 B13R0.154 CCCCCCNC(=O)CSC(=O)C 240690a_100000210581_100000049016 [0,2,0,0,0,0|2,0,0]=4 8011 B13R0.154 CCCCCNNC(=O)CCC(=O)N 22a_100000694160_100011215257 [0,2,0,0,0,0|2,0,0]=4 8012 B13R0.154 CCCCCNNC(=O)CNC(=O)C 22a_100000694160_100000194580 [0,2,0,0,0,0|2,0,0]=4 8013 B13R0.154 CCCCCNNC(=O)COC(=O)C 22a_100000694160_100000183556 [0,2,0,0,0,0|2,0,0]=4 8014 B13R0.154 CCCCCOCC(=O)COC(=O)C 34a_100000210253_100000036994 [0,2,0,0,0,0|1,0,0]=3 8015 B13R0.154 CCCCCOCC(=O)NNC(=O)C 7a_100000210253_100000181415 [0,2,0,0,0,0|2,0,0]=4 8016 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210326 [0,2,0,0,0,0|1,1,0]=4 8017 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000210326_100000036994 [0,2,0,0,0,0|1,1,0]=4 8018 B13R0.154 CCCCOCCC(=O)CC=C(C)C 1458a_100011220947_100000743108 [0,2,0,0,0,0|1,0,1]=4 8019 B13R0.154 CCCCOCCC(=O)CCC(=O)N 1458a_100011215257_100000743108 [0,2,0,0,0,0|1,0,0]=3 8020 B13R0.154 CCCCOCCC(=O)CCC(C)C 1458a_100000181311_100000743108 [0,2,0,0,0,0|1,0,1]=4 8021 B13R0.154 CCCCOCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000743108 [0,2,0,0,0,0|2,0,0]=4 8022 B13R0.154 CCCCOCCC(=O)CC[S+](C)C 1458a_100009452791_100000743108 [0,2,0,0,0,0|2,0,0]=4 8023 B13R0.154 CCCCOCCC(=O)CNC(=O)C 1458a_100000194580_100000743108 [0,2,0,0,0,0|1,0,0]=3 8024 B13R0.154 CCCCOCCC(=O)CNC(=O)N 1458a_100000184981_100000743108 [0,2,0,0,0,0|2,0,0]=4 8025 B13R0.154 CCCCOCCC(=O)COC(=O)C 1458a_100000183556_100000743108 [0,2,0,0,0,0|1,0,0]=3 8026 B13R0.154 CCCCOCCC(=O)CSC(=O)C 1458a_100000049016_100000743108 [0,2,0,0,0,0|1,0,0]=3 8027 B13R0.154 CCCOCCNC(=O)CCC(=O)N 240690a_100161115042_100011215257 [0,2,0,0,0,0|2,0,0]=4 8028 B13R0.154 CCCOCCNC(=O)CCC(=O)N 527a_100161115042_100011215257 [0,2,0,0,0,0|2,0,0]=4 8029 B13R0.154 CCCOCCNC(=O)CNC(=O)C 1626a_100161115042_100000194580 [0,2,0,0,0,0|2,0,0]=4 8030 B13R0.154 CCCOCCNC(=O)CNC(=O)C 240690a_100161115042_100000194580 [0,2,0,0,0,0|2,0,0]=4 8031 B13R0.154 CCCOCCNC(=O)CNC(=O)C 527a_100161115042_100000194580 [0,2,0,0,0,0|2,0,0]=4 8032 B13R0.154 CCCOCCNC(=O)COC(=O)C 1626a_100161115042_100000183556 [0,2,0,0,0,0|2,0,0]=4 8033 B13R0.154 CCCOCCNC(=O)COC(=O)C 240690a_100161115042_100000183556 [0,2,0,0,0,0|2,0,0]=4 8034 B13R0.154 CCCOCCNC(=O)COC(=O)C 527a_100161115042_100000183556 [0,2,0,0,0,0|2,0,0]=4 8035 B13R0.154 CCCOCCNC(=O)CSC(=O)C 1626a_100161115042_100000049016 [0,2,0,0,0,0|2,0,0]=4 8036 B13R0.154 CCCOCCNC(=O)CSC(=O)C 240690a_100161115042_100000049016 [0,2,0,0,0,0|2,0,0]=4 8037 B13R0.154 CCCSCCNC(=O)CCC(=O)N 240690a_100020603323_100011215257 [0,2,0,0,0,0|2,0,0]=4 8038 B13R0.154 CCCSCCNC(=O)CCC(=O)N 527a_100020603323_100011215257 [0,2,0,0,0,0|2,0,0]=4 8039 B13R0.154 CCCSCCNC(=O)CNC(=O)C 11a_100020603323_100000194580 [0,2,0,0,0,0|2,0,0]=4 8040 B13R0.154 CCCSCCNC(=O)CNC(=O)C 240690a_100020603323_100000194580 [0,2,0,0,0,0|2,0,0]=4 8041 B13R0.154 CCCSCCNC(=O)CNC(=O)C 527a_100020603323_100000194580 [0,2,0,0,0,0|2,0,0]=4 8042 B13R0.154 CCCSCCNC(=O)COC(=O)C 240690a_100020603323_100000183556 [0,2,0,0,0,0|2,0,0]=4 8043 B13R0.154 CCCSCCNC(=O)COC(=O)C 527a_100020603323_100000183556 [0,2,0,0,0,0|2,0,0]=4 8044 B13R0.154 CCCSCCNC(=O)CSC(=O)C 11a_100020603323_100000049016 [0,2,0,0,0,0|2,0,0]=4 8045 B13R0.154 CCCSCCNC(=O)CSC(=O)C 240690a_100020603323_100000049016 [0,2,0,0,0,0|2,0,0]=4 8046 B13R0.154 CCOCCCNC(=O)CCC(=O)N 240690a_100000210961_100011215257 [0,2,0,0,0,0|2,0,0]=4 8047 B13R0.154 CCOCCCNC(=O)CCC(=O)N 527a_100000210961_100011215257 [0,2,0,0,0,0|2,0,0]=4 8048 B13R0.154 CCOCCCNC(=O)CNC(=O)C 11a_100000210961_100000194580 [0,2,0,0,0,0|2,0,0]=4 8049 B13R0.154 CCOCCCNC(=O)CNC(=O)C 1626a_100000210961_100000194580 [0,2,0,0,0,0|2,0,0]=4 8050 B13R0.154 CCOCCCNC(=O)CNC(=O)C 240690a_100000210961_100000194580 [0,2,0,0,0,0|2,0,0]=4 8051 B13R0.154 CCOCCCNC(=O)CNC(=O)C 527a_100000210961_100000194580 [0,2,0,0,0,0|2,0,0]=4 8052 B13R0.154 CCOCCCNC(=O)COC(=O)C 1626a_100000210961_100000183556 [0,2,0,0,0,0|2,0,0]=4 8053 B13R0.154 CCOCCCNC(=O)COC(=O)C 240690a_100000210961_100000183556 [0,2,0,0,0,0|2,0,0]=4 8054 B13R0.154 CCOCCCNC(=O)COC(=O)C 527a_100000210961_100000183556 [0,2,0,0,0,0|2,0,0]=4 8055 B13R0.154 CCOCCCNC(=O)CSC(=O)C 11a_100000210961_100000049016 [0,2,0,0,0,0|2,0,0]=4 8056 B13R0.154 CCOCCCNC(=O)CSC(=O)C 1626a_100000210961_100000049016 [0,2,0,0,0,0|2,0,0]=4 8057 B13R0.154 CCOCCCNC(=O)CSC(=O)C 240690a_100000210961_100000049016 [0,2,0,0,0,0|2,0,0]=4 8058 B13R0.154 CCOCCNCC(=O)COC(=O)C 34a_102516460346_100000036994 [0,2,0,0,0,0|2,0,0]=4 8059 B13R0.154 CCOCCNNC(=O)CCC(=O)N 22a_100000732670_100011215257 [0,2,0,0,0,0|2,0,0]=4 8060 B13R0.154 CCOCCNNC(=O)CNC(=O)C 22a_100000732670_100000194580 [0,2,0,0,0,0|2,0,0]=4 8061 B13R0.154 CCOCCNNC(=O)COC(=O)C 22a_100000732670_100000183556 [0,2,0,0,0,0|2,0,0]=4 8062 B13R0.154 CCOCCOCC(=O)COC(=O)C 34a_100000210136_100000036994 [0,2,0,0,0,0|1,0,0]=3 8063 B13R0.154 CCOCCOCC(=O)NNC(=O)C 7a_100000210136_100000181415 [0,2,0,0,0,0|2,0,0]=4 8064 B13R0.154 CCOCCSCC(=O)COC(=O)C 62a_100000036994_100011215890 [0,2,0,0,0,0|1,1,0]=4 8065 B13R0.154 CCOCCSCC(=O)COC(=O)C 62a_100000210147_100000036994 [0,2,0,0,0,0|1,1,0]=4 8066 B13R0.154 CCSCCOCC(=O)COC(=O)C 34a_100000212035_100000036994 [0,2,0,0,0,0|1,0,0]=3 8067 B13R0.154 CCSCCOCC(=O)NNC(=O)C 7a_100000212035_100000181415 [0,2,0,0,0,0|2,0,0]=4 8068 B13R0.154 CCSCCSCC(=O)COC(=O)C 62a_100000036994_100000757381 [0,2,0,0,0,0|1,1,0]=4 8069 B13R0.154 CCSCCSCC(=O)COC(=O)C 62a_100000757381_100000036994 [0,2,0,0,0,0|1,1,0]=4 8070 B13R0.154 CNCCCOCC(=O)COC(=O)C 34a_100000213112_100000036994 [0,2,0,0,0,0|1,0,0]=3 8071 B13R0.154 COCCCNCC(=O)COC(=O)C 34a_100150723488_100000036994 [0,2,0,0,0,0|2,0,0]=4 8072 B13R0.154 COCCCNNC(=O)CCC(=O)N 22a_100025702787_100011215257 [0,2,0,0,0,0|2,0,0]=4 8073 B13R0.154 COCCCNNC(=O)CNC(=O)C 22a_100025702787_100000194580 [0,2,0,0,0,0|2,0,0]=4 8074 B13R0.154 COCCCNNC(=O)COC(=O)C 22a_100025702787_100000183556 [0,2,0,0,0,0|2,0,0]=4 8075 B13R0.154 COCCCOCC(=O)COC(=O)C 34a_100000740835_100000036994 [0,2,0,0,0,0|1,0,0]=3 8076 B13R0.154 COCCCSCC(=O)COC(=O)C 62a_100000036994_100000709357 [0,2,0,0,0,0|1,1,0]=4 8077 B13R0.154 COCCCSCC(=O)COC(=O)C 62a_100000709357_100000036994 [0,2,0,0,0,0|1,1,0]=4 8078 B13R0.154 COCCOCCC(=O)CCC(=O)N 1458a_100011215257_100000695917 [0,2,0,0,0,0|2,0,0]=4 8079 B13R0.154 COCCOCCC(=O)CNC(=O)C 1458a_100000194580_100000695917 [0,2,0,0,0,0|2,0,0]=4 8080 B13R0.154 COCCOCCC(=O)COC(=O)C 1458a_100000183556_100000695917 [0,2,0,0,0,0|2,0,0]=4 8081 B13R0.154 COCCOCCC(=O)CSC(=O)C 1458a_100000049016_100000695917 [0,2,0,0,0,0|2,0,0]=4 8082 B13R0.154 CSCCCOCC(=O)COC(=O)C 34a_100000690336_100000036994 [0,2,0,0,0,0|1,0,0]=3 8083 B13R0.154 CSCCCOCC(=O)NNC(=O)C 7a_100000690336_100000181415 [0,2,0,0,0,0|2,0,0]=4 8084 B13R0.154 N#CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100009813376 [0,2,0,0,0,0|2,0,0]=4 8085 B13R0.154 N#CCCCCNC(=O)CCC(=O)N 240690a_100000751965_100011215257 [0,2,0,0,0,0|2,0,0]=4 8086 B13R0.154 N#CCCCCNC(=O)CCC(=O)N 527a_100000751965_100011215257 [0,2,0,0,0,0|2,0,0]=4 8087 B13R0.154 NC(=O)CCC(=O)CCCCCCF 1458a_100011215257_100015922095 [0,2,0,0,0,0|2,0,0]=4 8088 B13R0.154 NC(=O)CCC(=O)CCCCCCO 1458a_100011215257_100000766143 [0,2,0,0,0,0|2,0,0]=4 8089 B13R0.154 NC(=O)CCC(=O)NCCCCCO 240690a_100000762737_100011215257 [0,2,0,0,0,0|2,0,0]=4 8090 B13R0.154 NC(=O)CCC(=O)NCCOCCO 240690a_100000211614_100011215257 [0,2,0,0,0,0|2,0,0]=4 8091 B13R0.154 NC(=O)CCC(=O)NCCSCCO 240690a_100011219999_100011215257 [0,2,0,0,0,0|2,0,0]=4 8092 B13R0.154 NC(=O)CCC(=O)NCCSCCO 527a_100011219999_100011215257 [0,2,0,0,0,0|2,0,0]=4 8093 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC 11a_100000126638_200000688413 [0,2,0,0,0,0|2,0,0]=4 8094 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC 1626a_100000126638_200000688413 [0,2,0,0,0,0|2,0,0]=4 8095 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC 240690a_100000126638_200000688413 [0,2,0,0,0,0|2,0,0]=4 8096 B13R0.172 C=C(C)CCC(=O)NC(C)CCCC 527a_100000126638_200000688413 [0,2,0,0,0,0|2,0,0]=4 8097 B13R0.172 CCCCC(C)NC(=O)CCC(=O)N 240690a_100000126638_100011215257 [0,2,0,0,0,0|2,0,0]=4 8098 B13R0.172 CCCCC(C)NC(=O)CCC(=O)N 527a_100000126638_100011215257 [0,2,0,0,0,0|2,0,0]=4 8099 B13R0.172 CCCCC(C)NC(=O)CNC(=O)C 11a_100000126638_100000194580 [0,2,0,0,0,0|2,0,0]=4 8100 B13R0.172 CCCCC(C)NC(=O)CNC(=O)C 1626a_100000126638_100000194580 [0,2,0,0,0,0|2,0,0]=4 8101 B13R0.172 CCCCC(C)NC(=O)CNC(=O)C 240690a_100000126638_100000194580 [0,2,0,0,0,0|2,0,0]=4 8102 B13R0.172 CCCCC(C)NC(=O)CNC(=O)C 527a_100000126638_100000194580 [0,2,0,0,0,0|2,0,0]=4 8103 B13R0.172 CCCCC(C)NC(=O)COC(=O)C 1626a_100000126638_100000183556 [0,2,0,0,0,0|2,0,0]=4 8104 B13R0.172 CCCCC(C)NC(=O)COC(=O)C 240690a_100000126638_100000183556 [0,2,0,0,0,0|2,0,0]=4 8105 B13R0.172 CCCCC(C)NC(=O)COC(=O)C 527a_100000126638_100000183556 [0,2,0,0,0,0|2,0,0]=4 8106 B13R0.172 CCCCC(C)NC(=O)CSC(=O)C 11a_100000126638_100000049016 [0,2,0,0,0,0|2,0,0]=4 8107 B13R0.172 CCCCC(C)NC(=O)CSC(=O)C 1626a_100000126638_100000049016 [0,2,0,0,0,0|2,0,0]=4 8108 B13R0.172 CCCCC(C)NC(=O)CSC(=O)C 240690a_100000126638_100000049016 [0,2,0,0,0,0|2,0,0]=4 8109 B13R0.172 CCCCN(C)CC(=O)COC(=O)C 269982a_100000207549_100000036994 [0,2,0,0,0,0|2,0,0]=4 8110 B13R0.182 C=C(C)CCC(=O)CCCCC(=O)C 1458a_200000688413_100000735457 [0,2,0,0,0,0|2,0,0]=4 8111 B13R0.182 C=C(C)CCC(=O)CCCCC(C)C 1458a_100011933920_100000730704 [0,2,0,0,0,0|2,0,0]=4 8112 B13R0.182 C=C(C)CCC(=O)CCCCC(C)C 1458a_200000688413_100011216152 [0,2,0,0,0,0|2,0,0]=4 8113 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 11a_200000737386_200000688413 [0,2,0,0,0,0|2,0,0]=4 8114 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 1626a_200000737386_200000688413 [0,2,0,0,0,0|2,0,0]=4 8115 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 240690a_200000737386_200000688413 [0,2,0,0,0,0|2,0,0]=4 8116 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 527a_200000737386_200000688413 [0,2,0,0,0,0|2,0,0]=4 8117 B13R0.182 C=C(C)CCC(=O)NCCCN(C)C 240690a_102531767803_200000688413 [0,2,0,0,0,0|2,0,0]=4 8118 B13R0.182 C=C(C)CCC(=O)NCCCN(C)C 527a_102531767803_200000688413 [0,2,0,0,0,0|2,0,0]=4 8119 B13R0.182 C=C(C)CCC(=O)NCCCS(=O)C 11a_200000753449_200000688413 [0,2,0,0,0,0|2,0,0]=4 8120 B13R0.182 C=C(C)CCC(=O)NCCCS(=O)C 240690a_200000753449_200000688413 [0,2,0,0,0,0|2,0,0]=4 8121 B13R0.182 C=C(C)CCC(=O)NCCCS(=O)C 527a_200000753449_200000688413 [0,2,0,0,0,0|2,0,0]=4 8122 B13R0.182 C=C(C)CCC(=O)NCCOC(C)C 11a_100000701111_200000688413 [0,2,0,0,0,0|2,0,0]=4 8123 B13R0.182 C=C(C)CCC(=O)NCCOC(C)C 1626a_100000701111_200000688413 [0,2,0,0,0,0|2,0,0]=4 8124 B13R0.182 C=C(C)CCC(=O)NCCOC(C)C 240690a_100000701111_200000688413 [0,2,0,0,0,0|2,0,0]=4 8125 B13R0.182 C=C(C)CCC(=O)NCCOC(C)C 527a_100000701111_200000688413 [0,2,0,0,0,0|2,0,0]=4 8126 B13R0.182 C=C(C)CCC(=O)NCCSC(C)C 11a_100000731138_200000688413 [0,2,0,0,0,0|2,0,0]=4 8127 B13R0.182 C=C(C)CCC(=O)NCCSC(C)C 1626a_100000731138_200000688413 [0,2,0,0,0,0|2,0,0]=4 8128 B13R0.182 C=C(C)CCC(=O)NCCSC(C)C 240690a_100000731138_200000688413 [0,2,0,0,0,0|2,0,0]=4 8129 B13R0.182 C=C(C)CCC(=O)NCCSC(C)C 527a_100000731138_200000688413 [0,2,0,0,0,0|2,0,0]=4 8130 B13R0.182 C=C(C)CCOCC(=O)COC(=O)C 34a_100000764851_100000036994 [0,2,0,0,0,0|1,0,1]=4 8131 B13R0.182 CC(=O)CCCCC(=O)CCC(=O)N 1458a_100011215257_100000735457 [0,2,0,0,0,0|2,0,0]=4 8132 B13R0.182 CC(=O)CCCCC(=O)CNC(=O)C 1458a_100000194580_100000735457 [0,2,0,0,0,0|2,0,0]=4 8133 B13R0.182 CC(=O)CCCCC(=O)COC(=O)C 1458a_100000183556_100000735457 [0,2,0,0,0,0|2,0,0]=4 8134 B13R0.182 CC(=O)CCCCC(=O)CSC(=O)C 1458a_100000049016_100000735457 [0,2,0,0,0,0|2,0,0]=4 8135 B13R0.182 CC(=O)CCOCC(=O)COC(=O)C 34a_100000759926_100000036994 [0,2,0,0,0,0|1,0,1]=4 8136 B13R0.182 CC(=O)NCC(=O)CCCCC(C)C 1458a_100000194580_100011216152 [0,2,0,0,0,0|2,0,0]=4 8137 B13R0.182 CC(=O)NCC(=O)NCCCC(C)C 11a_200000737386_100000194580 [0,2,0,0,0,0|2,0,0]=4 8138 B13R0.182 CC(=O)NCC(=O)NCCCC(C)C 1626a_200000737386_100000194580 [0,2,0,0,0,0|2,0,0]=4 8139 B13R0.182 CC(=O)NCC(=O)NCCCC(C)C 240690a_200000737386_100000194580 [0,2,0,0,0,0|2,0,0]=4 8140 B13R0.182 CC(=O)NCC(=O)NCCCC(C)C 527a_200000737386_100000194580 [0,2,0,0,0,0|2,0,0]=4 8141 B13R0.182 CC(=O)NCC(=O)NCCCN(C)C 240690a_102531767803_100000194580 [0,2,0,0,0,0|2,0,0]=4 8142 B13R0.182 CC(=O)NCC(=O)NCCCN(C)C 527a_102531767803_100000194580 [0,2,0,0,0,0|2,0,0]=4 8143 B13R0.182 CC(=O)NCC(=O)NCCCS(=O)C 11a_200000753449_100000194580 [0,2,0,0,0,0|2,0,0]=4 8144 B13R0.182 CC(=O)NCC(=O)NCCCS(=O)C 240690a_200000753449_100000194580 [0,2,0,0,0,0|2,0,0]=4 8145 B13R0.182 CC(=O)NCC(=O)NCCCS(=O)C 527a_200000753449_100000194580 [0,2,0,0,0,0|2,0,0]=4 8146 B13R0.182 CC(=O)NCC(=O)NCCOC(C)C 11a_100000701111_100000194580 [0,2,0,0,0,0|2,0,0]=4 8147 B13R0.182 CC(=O)NCC(=O)NCCOC(C)C 1626a_100000701111_100000194580 [0,2,0,0,0,0|2,0,0]=4 8148 B13R0.182 CC(=O)NCC(=O)NCCOC(C)C 240690a_100000701111_100000194580 [0,2,0,0,0,0|2,0,0]=4 8149 B13R0.182 CC(=O)NCC(=O)NCCOC(C)C 527a_100000701111_100000194580 [0,2,0,0,0,0|2,0,0]=4 8150 B13R0.182 CC(=O)NCC(=O)NCCSC(C)C 11a_100000731138_100000194580 [0,2,0,0,0,0|2,0,0]=4 8151 B13R0.182 CC(=O)NCC(=O)NCCSC(C)C 1626a_100000731138_100000194580 [0,2,0,0,0,0|2,0,0]=4 8152 B13R0.182 CC(=O)NCC(=O)NCCSC(C)C 240690a_100000731138_100000194580 [0,2,0,0,0,0|2,0,0]=4 8153 B13R0.182 CC(=O)NCC(=O)NCCSC(C)C 527a_100000731138_100000194580 [0,2,0,0,0,0|2,0,0]=4 8154 B13R0.182 CC(=O)NNC(=O)COCCC(C)C 7a_100000210254_100000181415 [0,2,0,0,0,0|2,0,0]=4 8155 B13R0.182 CC(=O)OCC(=O)CCCCC(C)C 1458a_100000183556_100011216152 [0,2,0,0,0,0|2,0,0]=4 8156 B13R0.182 CC(=O)OCC(=O)COCCC(C)Br 34a_100009893172_100000036994 [0,2,0,0,0,0|1,0,0]=3 8157 B13R0.182 CC(=O)OCC(=O)COCCC(C)C 34a_100000210254_100000036994 [0,2,0,0,0,0|1,0,0]=3 8158 B13R0.182 CC(=O)OCC(=O)COCCC(F)F 34a_100103093639_100000036994 [0,2,0,0,0,0|2,0,0]=4 8159 B13R0.182 CC(=O)OCC(=O)COCC[C@@H](C)N 34a_100000706166_100000036994 [0,2,0,0,0,0|1,0,0]=3 8160 B13R0.182 CC(=O)OCC(=O)CSCCC(C)C 62a_100000036994_100000210312 [0,2,0,0,0,0|1,1,0]=4 8161 B13R0.182 CC(=O)OCC(=O)CSCCC(C)C 62a_100000210312_100000036994 [0,2,0,0,0,0|1,1,0]=4 8162 B13R0.182 CC(=O)OCC(=O)CSCCC(C)O 62a_100000036994_100012276601 [0,2,0,0,0,0|1,1,0]=4 8163 B13R0.182 CC(=O)OCC(=O)CSCCC(C)O 62a_100012276601_100000036994 [0,2,0,0,0,0|1,1,0]=4 8164 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 1626a_200000737386_100000183556 [0,2,0,0,0,0|2,0,0]=4 8165 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 240690a_200000737386_100000183556 [0,2,0,0,0,0|2,0,0]=4 8166 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 527a_200000737386_100000183556 [0,2,0,0,0,0|2,0,0]=4 8167 B13R0.182 CC(=O)OCC(=O)NCCCN(C)C 240690a_102531767803_100000183556 [0,2,0,0,0,0|2,0,0]=4 8168 B13R0.182 CC(=O)OCC(=O)NCCCN(C)C 527a_102531767803_100000183556 [0,2,0,0,0,0|2,0,0]=4 8169 B13R0.182 CC(=O)OCC(=O)NCCCS(=O)C 240690a_200000753449_100000183556 [0,2,0,0,0,0|2,0,0]=4 8170 B13R0.182 CC(=O)OCC(=O)NCCCS(=O)C 527a_200000753449_100000183556 [0,2,0,0,0,0|2,0,0]=4 8171 B13R0.182 CC(=O)OCC(=O)NCCOC(C)C 1626a_100000701111_100000183556 [0,2,0,0,0,0|2,0,0]=4 8172 B13R0.182 CC(=O)OCC(=O)NCCOC(C)C 240690a_100000701111_100000183556 [0,2,0,0,0,0|2,0,0]=4 8173 B13R0.182 CC(=O)OCC(=O)NCCOC(C)C 527a_100000701111_100000183556 [0,2,0,0,0,0|2,0,0]=4 8174 B13R0.182 CC(=O)OCC(=O)NCCSC(C)C 1626a_100000731138_100000183556 [0,2,0,0,0,0|2,0,0]=4 8175 B13R0.182 CC(=O)OCC(=O)NCCSC(C)C 240690a_100000731138_100000183556 [0,2,0,0,0,0|2,0,0]=4 8176 B13R0.182 CC(=O)OCC(=O)NCCSC(C)C 527a_100000731138_100000183556 [0,2,0,0,0,0|2,0,0]=4 8177 B13R0.182 CC(=O)SCC(=O)CCCCC(C)C 1458a_100000049016_100011216152 [0,2,0,0,0,0|2,0,0]=4 8178 B13R0.182 CC(=O)SCC(=O)NCCCC(C)C 11a_200000737386_100000049016 [0,2,0,0,0,0|2,0,0]=4 8179 B13R0.182 CC(=O)SCC(=O)NCCCC(C)C 1626a_200000737386_100000049016 [0,2,0,0,0,0|2,0,0]=4 8180 B13R0.182 CC(=O)SCC(=O)NCCCC(C)C 240690a_200000737386_100000049016 [0,2,0,0,0,0|2,0,0]=4 8181 B13R0.182 CC(=O)SCC(=O)NCCCN(C)C 240690a_102531767803_100000049016 [0,2,0,0,0,0|2,0,0]=4 8182 B13R0.182 CC(=O)SCC(=O)NCCCS(=O)C 11a_200000753449_100000049016 [0,2,0,0,0,0|2,0,0]=4 8183 B13R0.182 CC(=O)SCC(=O)NCCCS(=O)C 240690a_200000753449_100000049016 [0,2,0,0,0,0|2,0,0]=4 8184 B13R0.182 CC(=O)SCC(=O)NCCOC(C)C 11a_100000701111_100000049016 [0,2,0,0,0,0|2,0,0]=4 8185 B13R0.182 CC(=O)SCC(=O)NCCOC(C)C 1626a_100000701111_100000049016 [0,2,0,0,0,0|2,0,0]=4 8186 B13R0.182 CC(=O)SCC(=O)NCCOC(C)C 240690a_100000701111_100000049016 [0,2,0,0,0,0|2,0,0]=4 8187 B13R0.182 CC(=O)SCC(=O)NCCSC(C)C 11a_100000731138_100000049016 [0,2,0,0,0,0|2,0,0]=4 8188 B13R0.182 CC(=O)SCC(=O)NCCSC(C)C 1626a_100000731138_100000049016 [0,2,0,0,0,0|2,0,0]=4 8189 B13R0.182 CC(=O)SCC(=O)NCCSC(C)C 240690a_100000731138_100000049016 [0,2,0,0,0,0|2,0,0]=4 8190 B13R0.182 CC(C)CCCCC(=O)CCC(=O)N 1458a_100011215257_100011216152 [0,2,0,0,0,0|2,0,0]=4 8191 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 240690a_200000737386_100011215257 [0,2,0,0,0,0|2,0,0]=4 8192 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 527a_200000737386_100011215257 [0,2,0,0,0,0|2,0,0]=4 8193 B13R0.182 CC(C)OCCNC(=O)CCC(=O)N 240690a_100000701111_100011215257 [0,2,0,0,0,0|2,0,0]=4 8194 B13R0.182 CC(C)OCCNC(=O)CCC(=O)N 527a_100000701111_100011215257 [0,2,0,0,0,0|2,0,0]=4 8195 B13R0.182 CC(C)SCCNC(=O)CCC(=O)N 240690a_100000731138_100011215257 [0,2,0,0,0,0|2,0,0]=4 8196 B13R0.182 CC(C)SCCNC(=O)CCC(=O)N 527a_100000731138_100011215257 [0,2,0,0,0,0|2,0,0]=4 8197 B13R0.182 CN(C)CCCNC(=O)CCC(=O)N 240690a_102531767803_100011215257 [0,2,0,0,0,0|2,0,0]=4 8198 B13R0.182 CN(C)CCCNC(=O)CCC(=O)N 527a_102531767803_100011215257 [0,2,0,0,0,0|2,0,0]=4 8199 B13R0.182 CS(=O)CCCNC(=O)CCC(=O)N 240690a_200000753449_100011215257 [0,2,0,0,0,0|2,0,0]=4 8200 B13R0.182 CS(=O)CCCNC(=O)CCC(=O)N 527a_200000753449_100011215257 [0,2,0,0,0,0|2,0,0]=4 8201 B13R0.1172 CCCCC=CC(=O)CCS(=O)(=O)C 1458a_100016266645_100000731031 [0,2,0,0,0,0|2,0,0]=4 8202 B13R0.1172 CCCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210757 [0,2,0,0,0,0|2,0,0]=4 8203 B13R0.1172 CCCCCCC(=O)CCS(=O)(=O)C 1458a_100102632555_100000731031 [0,2,0,0,0,0|2,0,0]=4 8204 B13R0.1172 CCCCCNC(=O)CCS(=O)(=O)C 11a_100000209983_100000737124 [0,2,0,0,0,0|2,0,0]=4 8205 B13R0.1172 CCCCCNC(=O)CCS(=O)(=O)C 1626a_100000209983_100000737124 [0,2,0,0,0,0|2,0,0]=4 8206 B13R0.1172 CCCCCNC(=O)CCS(=O)(=O)C 240690a_100000209983_100000737124 [0,2,0,0,0,0|2,0,0]=4 8207 B13R0.1172 CCCCCNC(=O)CCS(=O)(=O)C 527a_100000209983_100000737124 [0,2,0,0,0,0|2,0,0]=4 8208 B13R0.1172 CCCCNCC(=O)CCS(=O)(=O)C 2230a_100000102301_100103131435 [0,2,0,0,0,0|2,0,0]=4 8209 B13R0.1172 CCCCNCC(=O)CCS(=O)(=O)C 7a_106832991798_100103131435 [0,2,0,0,0,0|2,0,0]=4 8210 B13R0.1172 CCCCNNC(=O)CCS(=O)(=O)C 22a_100025702795_100000737124 [0,2,0,0,0,0|2,0,0]=4 8211 B13R0.1172 CCCCOCC(=O)CCC(C)(C)C 1458a_100000757465_100011995733 [0,2,0,0,0,0|1,0,1]=4 8212 B13R0.1172 CCCCOCC(=O)CCC(C)(C)C 1458a_100000757543_100000755188 [0,2,0,0,0,0|1,0,1]=4 8213 B13R0.1172 CCCCOCC(=O)CCC(C)(F)F 1458a_100000030992_100011995733 [0,2,0,0,0,0|1,0,1]=4 8214 B13R0.1172 CCCCOCC(=O)CCS(=O)(=O)C 1458a_100000737124_100011995733 [0,2,0,0,0,0|1,0,0]=3 8215 B13R0.1172 CCCCOCC(=O)CCS(=O)(=O)C 1458a_100000757543_100000731031 [0,2,0,0,0,0|1,0,0]=3 8216 B13R0.1172 CCCCOCC(=O)CCS(=O)(=O)C 34a_100000210227_100103131435 [0,2,0,0,0,0|1,0,0]=3 8217 B13R0.1172 CCCCOCC(=O)CCS(=O)(=O)C 7a_100000210227_100103131435 [0,2,0,0,0,0|1,0,0]=3 8218 B13R0.1172 CCCCOCC(=O)CCS(=O)(=O)N 1458a_100000737202_100011995733 [0,2,0,0,0,0|2,0,0]=4 8219 B13R0.1172 CCCCOCC(=O)CCS(=O)(=O)[O-] 1458a_100000757543_100000762736 [0,2,0,0,0,0|2,0,0]=4 8220 B13R0.1172 CCCCOCC(=O)CC[N+](C)(C)C 1458a_100000757543_100000085578 [0,2,0,0,0,0|2,0,0]=4 8221 B13R0.1172 CCCCOCC(=O)CC[Si](C)(C)C 1458a_100000757543_200000733723 [0,2,0,0,0,0|1,1,0]=4 8222 B13R0.1172 CCCCOCC(=O)CC[Si](C)(C)C 1458a_100011215282_100011995733 [0,2,0,0,0,0|1,1,0]=4 8223 B13R0.1172 CCCCOCC(=O)CNS(=O)(=O)C 1458a_100000737300_100011995733 [0,2,0,0,0,0|2,0,0]=4 8224 B13R0.1172 CCCCSCC(=O)CCS(=O)(=O)C 1458a_100000191162_100000731031 [0,2,0,0,0,0|1,1,0]=4 8225 B13R0.1172 CCCCSCC(=O)CCS(=O)(=O)C 62a_100000210211_100103131435 [0,2,0,0,0,0|1,1,0]=4 8226 B13R0.1172 CCCCSCC(=O)CCS(=O)(=O)C 62a_100103131435_100000210210 [0,2,0,0,0,0|1,1,0]=4 8227 B13R0.1172 CCCOCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100011215938 [0,2,0,0,0,0|2,0,0]=4 8228 B13R0.1172 CCOCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100012232248 [0,2,0,0,0,0|2,0,0]=4 8229 B13R0.1172 CCOCCNC(=O)CCS(=O)(=O)C 11a_100011200944_100000737124 [0,2,0,0,0,0|2,0,0]=4 8230 B13R0.1172 CCOCCNC(=O)CCS(=O)(=O)C 1626a_102516460346_100000737124 [0,2,0,0,0,0|2,0,0]=4 8231 B13R0.1172 CCOCCNC(=O)CCS(=O)(=O)C 240690a_100011200944_100000737124 [0,2,0,0,0,0|2,0,0]=4 8232 B13R0.1172 CCOCCNC(=O)CCS(=O)(=O)C 527a_100011200944_100000737124 [0,2,0,0,0,0|2,0,0]=4 8233 B13R0.1172 CCSCCNC(=O)CCS(=O)(=O)C 11a_100000106463_100000737124 [0,2,0,0,0,0|2,0,0]=4 8234 B13R0.1172 CCSCCNC(=O)CCS(=O)(=O)C 1626a_100000106463_100000737124 [0,2,0,0,0,0|2,0,0]=4 8235 B13R0.1172 CCSCCNC(=O)CCS(=O)(=O)C 240690a_100000106463_100000737124 [0,2,0,0,0,0|2,0,0]=4 8236 B13R0.1172 CCSCCNC(=O)CCS(=O)(=O)C 527a_100000106463_100000737124 [0,2,0,0,0,0|2,0,0]=4 8237 B13R0.1172 COCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000755781 [0,2,0,0,0,0|2,0,0]=4 8238 B13R0.1172 COCCCNC(=O)CCS(=O)(=O)C 1626a_100150723488_100000737124 [0,2,0,0,0,0|2,0,0]=4 8239 B13R0.1172 COCCCNC(=O)CCS(=O)(=O)C 240690a_100150723488_100000737124 [0,2,0,0,0,0|2,0,0]=4 8240 B13R0.1172 COCCCNC(=O)CCS(=O)(=O)C 527a_100150723488_100000737124 [0,2,0,0,0,0|2,0,0]=4 8241 B13R0.1172 COCCOCC(=O)CCS(=O)(=O)C 1458a_100000211095_100000731031 [0,2,0,0,0,0|2,0,0]=4 8242 B13R0.1172 COCCOCC(=O)CCS(=O)(=O)C 34a_100000210237_100103131435 [0,2,0,0,0,0|2,0,0]=4 8243 B13R0.1172 CS(=O)(=O)CCC(=O)CCCCCF 1458a_100000737124_100000729378 [0,2,0,0,0,0|2,0,0]=4 8244 B13R0.1172 CS(=O)(=O)CCC(=O)CCCCCO 1458a_100000737124_100000746330 [0,2,0,0,0,0|2,0,0]=4 8245 B13R0.1172 CS(=O)(=O)CCC(=O)CCCCCO 1458a_100102619762_100000731031 [0,2,0,0,0,0|2,0,0]=4 8246 B13R0.1172 CS(=O)(=O)CCC(=O)COCCCBr 34a_100011217188_100103131435 [0,2,0,0,0,0|2,0,0]=4 8247 B13R0.1172 CS(=O)(=O)CCC(=O)COCCCCl 34a_100000230001_100103131435 [0,2,0,0,0,0|2,0,0]=4 8248 B13R0.1172 CS(=O)(=O)CCC(=O)COCCCF 34a_100000759539_100103131435 [0,2,0,0,0,0|2,0,0]=4 8249 B13R0.1172 CS(=O)(=O)CCC(=O)COCCCN 34a_100000182051_100103131435 [0,2,0,0,0,0|2,0,0]=4 8250 B13R0.1172 CS(=O)(=O)CCC(=O)NCCCCO 240690a_100000750430_100000737124 [0,2,0,0,0,0|2,0,0]=4 8251 B13R0.1172 CS(=O)(=O)CCC(=O)NCCCCO 527a_100000750430_100000737124 [0,2,0,0,0,0|2,0,0]=4 8252 B13R0.1172 CSCCCNC(=O)CCS(=O)(=O)C 11a_100000749238_100000737124 [0,2,0,0,0,0|2,0,0]=4 8253 B13R0.1172 CSCCCNC(=O)CCS(=O)(=O)C 1626a_100000749238_100000737124 [0,2,0,0,0,0|2,0,0]=4 8254 B13R0.1172 CSCCCNC(=O)CCS(=O)(=O)C 240690a_100000749238_100000737124 [0,2,0,0,0,0|2,0,0]=4 8255 B13R0.1172 CSCCCNC(=O)CCS(=O)(=O)C 527a_100000749238_100000737124 [0,2,0,0,0,0|2,0,0]=4 8256 B13R0.1172 CSCCOCC(=O)CCS(=O)(=O)C 34a_100000230434_100103131435 [0,2,0,0,0,0|2,0,0]=4 8257 B13R0.1172 CSCCOCC(=O)CCS(=O)(=O)C 7a_100000230434_100103131435 [0,2,0,0,0,0|2,0,0]=4 8258 B13R0.406 C=C(C)CCC(=O)NC(CC)CCC 11a_100000747048_200000688413 [0,2,0,0,0,0|2,0,0]=4 8259 B13R0.406 C=C(C)CCC(=O)NC(CC)CCC 1626a_100000747048_200000688413 [0,2,0,0,0,0|2,0,0]=4 8260 B13R0.406 C=C(C)CCC(=O)NC(CC)CCC 240690a_100000747048_200000688413 [0,2,0,0,0,0|2,0,0]=4 8261 B13R0.406 C=C(C)CCC(=O)NC(CC)CCC 527a_100000747048_200000688413 [0,2,0,0,0,0|2,0,0]=4 8262 B13R0.406 C=C(C)CCC(=O)N[C@H](CO)CCC 240690a_100000732646_200000688413 [0,2,0,0,0,0|2,0,0]=4 8263 B13R0.406 C=C(C)CCC(=O)N[C@H](CO)CCC 527a_100000732646_200000688413 [0,2,0,0,0,0|2,0,0]=4 8264 B13R0.406 CCCC(CC)NC(=O)CCC(=O)N 240690a_100000747048_100011215257 [0,2,0,0,0,0|2,0,0]=4 8265 B13R0.406 CCCC(CC)NC(=O)CCC(=O)N 527a_100000747048_100011215257 [0,2,0,0,0,0|2,0,0]=4 8266 B13R0.406 CCCC(CC)NC(=O)CNC(=O)C 11a_100000747048_100000194580 [0,2,0,0,0,0|2,0,0]=4 8267 B13R0.406 CCCC(CC)NC(=O)CNC(=O)C 1626a_100000747048_100000194580 [0,2,0,0,0,0|2,0,0]=4 8268 B13R0.406 CCCC(CC)NC(=O)CNC(=O)C 240690a_100000747048_100000194580 [0,2,0,0,0,0|2,0,0]=4 8269 B13R0.406 CCCC(CC)NC(=O)CNC(=O)C 527a_100000747048_100000194580 [0,2,0,0,0,0|2,0,0]=4 8270 B13R0.406 CCCC(CC)NC(=O)COC(=O)C 1626a_100000747048_100000183556 [0,2,0,0,0,0|2,0,0]=4 8271 B13R0.406 CCCC(CC)NC(=O)COC(=O)C 240690a_100000747048_100000183556 [0,2,0,0,0,0|2,0,0]=4 8272 B13R0.406 CCCC(CC)NC(=O)COC(=O)C 527a_100000747048_100000183556 [0,2,0,0,0,0|2,0,0]=4 8273 B13R0.406 CCCC(CC)NC(=O)CSC(=O)C 11a_100000747048_100000049016 [0,2,0,0,0,0|2,0,0]=4 8274 B13R0.406 CCCC(CC)NC(=O)CSC(=O)C 1626a_100000747048_100000049016 [0,2,0,0,0,0|2,0,0]=4 8275 B13R0.406 CCCC(CC)NC(=O)CSC(=O)C 240690a_100000747048_100000049016 [0,2,0,0,0,0|2,0,0]=4 8276 B13R0.406 CCC[C@@H](CO)NC(=O)CCC(=O)N 240690a_100000732646_100011215257 [0,2,0,0,0,0|2,0,0]=4 8277 B13R0.406 CCC[C@@H](CO)NC(=O)CCC(=O)N 527a_100000732646_100011215257 [0,2,0,0,0,0|2,0,0]=4 8278 B13R0.406 CCC[C@@H](CO)NC(=O)CNC(=O)C 240690a_100000732646_100000194580 [0,2,0,0,0,0|2,0,0]=4 8279 B13R0.406 CCC[C@@H](CO)NC(=O)CNC(=O)C 527a_100000732646_100000194580 [0,2,0,0,0,0|2,0,0]=4 8280 B13R0.406 CCC[C@@H](CO)NC(=O)COC(=O)C 240690a_100000732646_100000183556 [0,2,0,0,0,0|2,0,0]=4 8281 B13R0.406 CCC[C@@H](CO)NC(=O)COC(=O)C 527a_100000732646_100000183556 [0,2,0,0,0,0|2,0,0]=4 8282 B13R0.406 CCC[C@@H](CO)NC(=O)CSC(=O)C 240690a_100000732646_100000049016 [0,2,0,0,0,0|2,0,0]=4 8283 B13R0.705 C=C(C)CCC(=O)CC(C)(O)CCC 1458a_100011667670_100000730704 [0,2,0,0,0,0|2,0,0]=4 8284 B13R0.1522 CCCC(C)CC(=O)CCS(=O)(=O)C 1458a_100000737124_100011216630 [0,2,0,0,0,0|2,0,0]=4 8285 B13R0.1522 CCCC(C)CC(=O)CCS(=O)(=O)C 1458a_100000748435_100000731031 [0,2,0,0,0,0|2,0,0]=4 8286 B13R0.1522 CCCC(C)NC(=O)CCS(=O)(=O)C 11a_100000741246_100000737124 [0,2,0,0,0,0|2,0,0]=4 8287 B13R0.1522 CCCC(C)NC(=O)CCS(=O)(=O)C 1626a_100000741246_100000737124 [0,2,0,0,0,0|2,0,0]=4 8288 B13R0.1522 CCCC(C)NC(=O)CCS(=O)(=O)C 240690a_100000741246_100000737124 [0,2,0,0,0,0|2,0,0]=4 8289 B13R0.1522 CCCC(C)NC(=O)CCS(=O)(=O)C 527a_100000741246_100000737124 [0,2,0,0,0,0|2,0,0]=4 8290 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [1,0,0,1,0,0|0,0,1]=3 8291 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [1,0,0,1,0,0|1,0,1]=4 8292 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [1,0,0,1,0,0|1,0,1]=4 8293 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [1,0,0,1,0,0|1,0,1]=4 8294 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [1,0,0,1,0,0|1,0,1]=4 8295 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [1,0,0,1,0,0|1,0,1]=4 8296 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [1,0,0,1,0,0|1,0,1]=4 8297 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [1,0,0,1,0,0|1,0,1]=4 8298 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [1,0,0,1,0,0|1,0,1]=4 8299 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [1,0,0,1,0,0|1,0,1]=4 8300 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [1,0,0,1,0,0|1,0,1]=4 8301 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [1,0,0,1,0,0|2,0,0]=4 8302 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [1,0,0,1,0,0|1,0,1]=4 8303 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [1,0,0,1,0,0|1,0,1]=4 8304 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [1,0,0,1,0,0|0,0,1]=3 8305 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [1,0,0,1,0,0|0,0,1]=3 8306 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [1,0,0,1,0,0|0,1,1]=4 8307 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [1,0,0,1,0,0|0,1,1]=4 8308 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [1,0,0,1,0,0|1,0,1]=4 8309 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [1,0,0,1,0,0|1,0,1]=4 8310 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [1,0,0,1,0,0|1,0,1]=4 8311 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [1,0,0,1,0,0|1,0,1]=4 8312 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [1,0,0,1,0,0|1,0,1]=4 8313 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [1,0,0,1,0,0|2,0,0]=4 8314 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [1,0,0,1,0,0|2,0,0]=4 8315 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|1,0,1]=4 8316 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|1,0,1]=4 8317 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [1,0,0,1,0,0|1,0,1]=4 8318 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,0,1,0,0|2,0,0]=4 8319 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,0,1,0,0|2,0,0]=4 8320 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [1,0,0,1,0,0|1,0,0]=3 8321 B11R1.91 CC(=O)CNC1=NCCCC1 1458a_100000118790_200000210301 [1,0,0,1,0,0|2,0,0]=4 8322 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [1,0,0,1,0,0|1,0,1]=4 8323 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [1,0,0,1,0,0|1,0,1]=4 8324 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [1,0,0,1,0,0|1,0,1]=4 8325 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [1,0,0,1,0,0|1,0,1]=4 8326 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|1,0,1]=4 8327 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,0,1,0,0|2,0,0]=4 8328 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [1,0,0,1,0,0|1,0,0]=3 8329 B11R1.91 [13CH3]C(=O)CNC1=NCCCC1 1458a_100000118790_200025704644 [1,0,0,1,0,0|2,0,0]=4 8330 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [1,0,0,1,0,0|2,0,0]=4 8331 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [1,0,0,1,0,0|1,0,1]=4 8332 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [1,0,0,1,0,0|1,0,1]=4 8333 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|1,0,1]=4 8334 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [1,0,0,1,0,0|1,0,1]=4 8335 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [1,0,0,1,0,0|1,0,1]=4 8336 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [1,0,0,1,0,0|1,0,1]=4 8337 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [1,0,0,1,0,0|2,0,0]=4 8338 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [1,0,0,1,0,0|2,0,0]=4 8339 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [1,0,0,1,0,0|2,0,0]=4 8340 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [1,0,0,1,0,0|2,0,0]=4 8341 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [1,0,0,1,0,0|2,0,0]=4 8342 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [1,0,0,1,0,0|1,0,1]=4 8343 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [1,0,0,1,0,0|1,0,1]=4 8344 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [1,0,0,1,0,0|0,0,1]=3 8345 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [1,0,0,1,0,0|0,0,1]=3 8346 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [1,0,0,1,0,0|1,0,1]=4 8347 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [1,0,0,1,0,0|1,0,1]=4 8348 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [1,0,0,1,0,0|1,0,1]=4 8349 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [1,0,0,1,0,0|0,1,1]=4 8350 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [1,0,0,1,0,0|2,0,0]=4 8351 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [1,0,0,1,0,0|2,0,0]=4 8352 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [1,0,0,1,0,0|2,0,0]=4 8353 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [1,0,0,1,0,0|2,0,0]=4 8354 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [1,0,0,1,0,0|1,0,1]=4 8355 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [1,0,0,1,0,0|1,0,1]=4 8356 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [1,0,0,1,0,0|1,0,1]=4 8357 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [1,0,0,1,0,0|1,0,1]=4 8358 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [1,0,0,1,0,0|0,0,1]=3 8359 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [1,0,0,1,0,0|0,0,1]=3 8360 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [1,0,0,1,0,0|0,0,1]=3 8361 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [1,0,0,1,0,0|1,0,1]=4 8362 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [1,0,0,1,0,0|1,0,1]=4 8363 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [1,0,0,1,0,0|1,0,1]=4 8364 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [1,0,0,1,0,0|1,0,1]=4 8365 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [1,0,0,1,0,0|1,0,1]=4 8366 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [1,0,0,1,0,0|0,1,1]=4 8367 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [1,0,0,1,0,0|0,1,1]=4 8368 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [1,0,0,1,0,0|2,0,0]=4 8369 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [1,0,0,1,0,0|2,0,0]=4 8370 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [1,0,0,1,0,0|2,0,0]=4 8371 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [1,0,0,1,0,0|2,0,0]=4 8372 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [1,0,0,1,0,0|2,0,0]=4 8373 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [1,0,0,1,0,0|1,0,1]=4 8374 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [1,0,0,1,0,0|1,0,1]=4 8375 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [1,0,0,1,0,0|1,0,1]=4 8376 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|1,0,1]=4 8377 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|1,0,1]=4 8378 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|1,0,1]=4 8379 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [1,0,0,1,0,0|1,0,1]=4 8380 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [1,0,0,1,0,0|1,0,1]=4 8381 B11R1.75 CC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000053229 [1,0,0,1,0,0|2,0,0]=4 8382 B11R1.103 C=C(C)CCC(=O)C1CC1C 1458a_100000211227_100000730704 [1,0,0,1,0,0|1,0,0]=3 8383 B11R1.103 C=C(C)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000730704 [1,0,0,1,0,0|2,0,0]=4 8384 B11R1.103 C=C(C)CNC(=O)C1CC1C 11a_100000765925_100000211227 [1,0,0,1,0,0|2,0,0]=4 8385 B11R1.103 C=C(C)CNC(=O)C1CC1C 1626a_100000765925_100000211227 [1,0,0,1,0,0|2,0,0]=4 8386 B11R1.103 C=C(C)CNC(=O)C1CC1C 527a_100000765925_100000211227 [1,0,0,1,0,0|2,0,0]=4 8387 B11R1.103 CC(=CCC(=O)C1CC1C)C 1458a_100000211227_100000761012 [1,0,0,1,0,0|1,0,1]=4 8388 B11R1.103 CC(=O)NNC(=O)C1CC1C 22a_100000189765_100000211227 [1,0,0,1,0,0|2,0,0]=4 8389 B11R1.103 CC(=O)NNC(=O)C1CC1C 22a_100000189827_100000070787 [1,0,0,1,0,0|2,0,0]=4 8390 B11R1.103 CC(C)CCC(=O)C1CC1C 1458a_100000211227_100000210312 [1,0,0,1,0,0|1,0,1]=4 8391 B11R1.103 CC(O)CCC(=O)C1CC1C 1458a_100000211227_100012276601 [1,0,0,1,0,0|0,0,2]=4 8392 B11R1.103 CC1CC1C(=O)NCC(=O)N 11a_100000711301_100000211227 [1,0,0,1,0,0|2,0,0]=4 8393 B11R1.103 CC1CC1C(=O)NCC(=O)N 527a_100000711301_100000211227 [1,0,0,1,0,0|2,0,0]=4 8394 B11R1.262 CCC1CN(C1)CCC(=O)C 269982a_100015205115_100000053229 [1,0,0,1,0,0|2,0,0]=4 8395 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [1,0,0,1,0,0|1,0,1]=4 8396 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [1,0,0,1,0,0|1,0,1]=4 8397 B11R1.285 CCCCC(=O)CCC1CO1 1458a_100000210183_100000732470 [1,0,0,1,0,0|0,0,2]=4 8398 B11R1.287 C=C1CC(C1)C(=O)CCCC 1458a_100000065620_100000210211 [1,0,0,1,0,0|1,0,0]=3 8399 B11R1.287 C=C1CC(C1)C(=O)CCCF 1458a_100000065620_100011934791 [1,0,0,1,0,0|2,0,0]=4 8400 B11R1.287 C=C1CC(C1)C(=O)CCCO 1458a_100000065620_100011215043 [1,0,0,1,0,0|2,0,0]=4 8401 B11R1.287 C=C1CC(C1)C(=O)CCOC 1458a_100000065620_100000233755 [1,0,0,1,0,0|2,0,0]=4 8402 B11R1.287 C=C1CC(C1)C(=O)CCSC 1458a_100000065620_100000751147 [1,0,0,1,0,0|2,0,0]=4 8403 B11R1.287 C=C1CC(C1)C(=O)NCCC 11a_100020643023_100000065620 [1,0,0,1,0,0|2,0,0]=4 8404 B11R1.287 C=C1CC(C1)C(=O)NCCC 1626a_100020643023_100000065620 [1,0,0,1,0,0|2,0,0]=4 8405 B11R1.287 C=C1CC(C1)C(=O)NCCC 240690a_100020643023_100000065620 [1,0,0,1,0,0|2,0,0]=4 8406 B11R1.287 C=C1CC(C1)C(=O)NCCC 527a_100020643023_100000065620 [1,0,0,1,0,0|2,0,0]=4 8407 B11R1.287 CCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210211 [1,0,0,1,0,0|1,0,1]=4 8408 B11R1.287 CCCCC(=O)C1CC(C1)F 1458a_100000062598_100000210211 [1,0,0,1,0,0|1,0,1]=4 8409 B11R1.287 CCCCC(=O)C1CN(C1)C 1458a_100012002723_100000210211 [1,0,0,1,0,0|2,0,0]=4 8410 B11R1.287 CCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210211 [1,0,0,1,0,0|1,0,0]=3 8411 B11R1.287 CCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210211 [1,0,0,1,0,0|0,0,2]=4 8412 B11R1.287 CCCCN(C)C1CC(=O)C1 269982a_100000207549_100009894365 [1,0,0,1,0,0|2,0,0]=4 8413 B11R1.287 CCCNC(=O)[C@@H]1CC(=O)N1 527a_100020643023_100016090685 [1,0,0,1,0,0|2,0,0]=4 8414 B11R1.287 COCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000233755 [1,0,0,1,0,0|2,0,0]=4 8415 B11R1.287 CSCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000751147 [1,0,0,1,0,0|2,0,0]=4 8416 B11R1.287 O=C1C[C@H](N1)C(=O)CCCF 1458a_100016090685_100011934791 [1,0,0,1,0,0|2,0,0]=4 8417 B11R1.287 O=C1C[C@H](N1)C(=O)CCCO 1458a_100016090685_100011215043 [1,0,0,1,0,0|2,0,0]=4 8418 B11R1.346 C=C(C)CCC(=O)C1CCC1 1458a_100000209988_100000730704 [1,0,0,1,0,0|1,0,0]=3 8419 B11R1.346 C=C(C)CCC(=O)C1CCC1 1458a_200000688413_100000749161 [1,0,0,1,0,0|1,0,0]=3 8420 B11R1.346 C=C(C)CCC(=O)C1CCO1 1458a_100000089072_100000730704 [1,0,0,1,0,0|2,0,0]=4 8421 B11R1.346 C=C(C)CCC(=O)C1COC1 1458a_100000758290_100000730704 [1,0,0,1,0,0|2,0,0]=4 8422 B11R1.346 C=C(C)CCC(=O)C1COC1 1458a_200000688413_100000687716 [1,0,0,1,0,0|2,0,0]=4 8423 B11R1.346 C=C(C)CCC(=O)N1CCC1 11a_100000754969_200000688413 [1,0,0,1,0,0|2,0,0]=4 8424 B11R1.346 C=C(C)CCC(=O)N1CCC1 240690a_100000754969_200000688413 [1,0,0,1,0,0|2,0,0]=4 8425 B11R1.346 C=C(C)CCC(=O)N1CCC1 527a_100000754969_200000688413 [1,0,0,1,0,0|2,0,0]=4 8426 B11R1.346 C=C(C)CNC(=O)C1CCC1 11a_100000765925_100000209988 [1,0,0,1,0,0|2,0,0]=4 8427 B11R1.346 C=C(C)CNC(=O)C1CCC1 1626a_100000765925_100000209988 [1,0,0,1,0,0|2,0,0]=4 8428 B11R1.346 C=C(C)CNC(=O)C1CCC1 240690a_100000765925_100000209988 [1,0,0,1,0,0|2,0,0]=4 8429 B11R1.346 C=C(C)CNC(=O)C1CCC1 527a_100000765925_100000209988 [1,0,0,1,0,0|2,0,0]=4 8430 B11R1.346 CC(=CCC(=O)C1CCC1)C 1458a_100000209988_100000761012 [1,0,0,1,0,0|1,0,1]=4 8431 B11R1.346 CC(=CCC(=O)C1CCC1)C 1458a_100011220947_100000749161 [1,0,0,1,0,0|1,0,1]=4 8432 B11R1.346 CC(=O)CCN(C)C1CCC1 269982a_100000758072_100000053229 [1,0,0,1,0,0|2,0,0]=4 8433 B11R1.346 CC(=O)NCC(=O)C1CCC1 1458a_100000194580_100000749161 [1,0,0,1,0,0|1,0,0]=3 8434 B11R1.346 CC(=O)NCC(=O)C1COC1 1458a_100000194580_100000687716 [1,0,0,1,0,0|2,0,0]=4 8435 B11R1.346 CC(=O)NCC(=O)N1CCC1 11a_100000754969_100000194580 [1,0,0,1,0,0|2,0,0]=4 8436 B11R1.346 CC(=O)NCC(=O)N1CCC1 240690a_100000754969_100000194580 [1,0,0,1,0,0|2,0,0]=4 8437 B11R1.346 CC(=O)NCC(=O)N1CCC1 527a_100000754969_100000194580 [1,0,0,1,0,0|2,0,0]=4 8438 B11R1.346 CC(=O)NNC(=O)C1CCC1 22a_100000186373_100000070787 [1,0,0,1,0,0|2,0,0]=4 8439 B11R1.346 CC(=O)NNC(=O)C1CCC1 22a_100000189765_100000209988 [1,0,0,1,0,0|2,0,0]=4 8440 B11R1.346 CC(=O)OCC(=O)C1CCC1 1458a_100000183556_100000749161 [1,0,0,1,0,0|1,0,0]=3 8441 B11R1.346 CC(=O)OCC(=O)C1COC1 1458a_100000183556_100000687716 [1,0,0,1,0,0|2,0,0]=4 8442 B11R1.346 CC(=O)OCC(=O)N1CCC1 240690a_100000754969_100000183556 [1,0,0,1,0,0|2,0,0]=4 8443 B11R1.346 CC(=O)OCC(=O)N1CCC1 527a_100000754969_100000183556 [1,0,0,1,0,0|2,0,0]=4 8444 B11R1.346 CC(=O)SCC(=O)C1CCC1 1458a_100000049016_100000749161 [1,0,0,1,0,0|1,0,0]=3 8445 B11R1.346 CC(=O)SCC(=O)C1COC1 1458a_100000049016_100000687716 [1,0,0,1,0,0|2,0,0]=4 8446 B11R1.346 CC(=O)SCC(=O)N1CCC1 11a_100000754969_100000049016 [1,0,0,1,0,0|2,0,0]=4 8447 B11R1.346 CC(=O)SCC(=O)N1CCC1 240690a_100000754969_100000049016 [1,0,0,1,0,0|2,0,0]=4 8448 B11R1.346 CC(C)CCC(=O)C1CCC1 1458a_100000181311_100000749161 [1,0,0,1,0,0|1,0,1]=4 8449 B11R1.346 CC(C)CCC(=O)C1CCC1 1458a_100000209988_100000210312 [1,0,0,1,0,0|1,0,1]=4 8450 B11R1.346 CC(O)CCC(=O)C1CCC1 1458a_100000209988_100012276601 [1,0,0,1,0,0|0,0,2]=4 8451 B11R1.346 C[S+](C)CCC(=O)C1CCC1 1458a_100009452791_100000749161 [1,0,0,1,0,0|2,0,0]=4 8452 B11R1.346 NC(=O)CCC(=O)C1CCC1 1458a_100011215257_100000749161 [1,0,0,1,0,0|1,0,0]=3 8453 B11R1.346 NC(=O)CCC(=O)C1COC1 1458a_100011215257_100000687716 [1,0,0,1,0,0|2,0,0]=4 8454 B11R1.346 NC(=O)CCC(=O)N1CCC1 240690a_100000754969_100011215257 [1,0,0,1,0,0|2,0,0]=4 8455 B11R1.346 NC(=O)CCC(=O)N1CCC1 527a_100000754969_100011215257 [1,0,0,1,0,0|2,0,0]=4 8456 B11R1.346 NC(=O)CNC(=O)C1CCC1 11a_100000711301_100000209988 [1,0,0,1,0,0|2,0,0]=4 8457 B11R1.346 NC(=O)CNC(=O)C1CCC1 240690a_100000711301_100000209988 [1,0,0,1,0,0|2,0,0]=4 8458 B11R1.346 NC(=O)CNC(=O)C1CCC1 527a_100000711301_100000209988 [1,0,0,1,0,0|2,0,0]=4 8459 B11R1.346 NC(=O)NCC(=O)C1CCC1 1458a_100000184981_100000749161 [1,0,0,1,0,0|2,0,0]=4 8460 B11R1.346 O=C(CC[N+](=O)[O-])C1CCC1 1458a_200000064761_100000749161 [1,0,0,1,0,0|2,0,0]=4 8461 B11R1.348 C=C(C)CCC(=O)CC1CC1 1458a_100000738066_100000730704 [1,0,0,1,0,0|1,0,0]=3 8462 B11R1.348 C=C(C)CCC(=O)CC1CC1 1458a_200000688413_100000742324 [1,0,0,1,0,0|1,0,0]=3 8463 B11R1.348 C=C(C)CCC(=O)CC1CO1 1458a_200000688413_100011216344 [1,0,0,1,0,0|2,0,0]=4 8464 B11R1.348 C=C(C)CCC(=O)CC1CS1 1458a_200000688413_100000031435 [1,0,0,1,0,0|2,0,0]=4 8465 B11R1.348 C=C(C)CCC(=O)C[C@@H]1CO1 1458a_200000688413_100000745022 [1,0,0,1,0,0|2,0,0]=4 8466 B11R1.348 C=C(C)CCC(=O)NC1CC1 1626a_100000212008_200000688413 [1,0,0,1,0,0|2,0,0]=4 8467 B11R1.348 C=C(C)CCC(=O)NC1CC1 240690a_100000212008_200000688413 [1,0,0,1,0,0|2,0,0]=4 8468 B11R1.348 C=C(C)CCC(=O)NC1CC1 527a_100000212008_200000688413 [1,0,0,1,0,0|2,0,0]=4 8469 B11R1.348 C=C(C)CNC(=O)CC1CC1 11a_100000765925_100000738066 [1,0,0,1,0,0|2,0,0]=4 8470 B11R1.348 C=C(C)CNC(=O)CC1CC1 1626a_100000765925_100000738066 [1,0,0,1,0,0|2,0,0]=4 8471 B11R1.348 C=C(C)CNC(=O)CC1CC1 240690a_100000765925_100000738066 [1,0,0,1,0,0|2,0,0]=4 8472 B11R1.348 C=C(C)CNC(=O)CC1CC1 527a_100000765925_100000738066 [1,0,0,1,0,0|2,0,0]=4 8473 B11R1.348 CC(=CCC(=O)CC1CC1)C 1458a_100000738066_100000761012 [1,0,0,1,0,0|1,0,1]=4 8474 B11R1.348 CC(=CCC(=O)CC1CC1)C 1458a_100011220947_100000742324 [1,0,0,1,0,0|1,0,1]=4 8475 B11R1.348 CC(=O)CCN(C)CC1CC1 269982a_100000741881_100000053229 [1,0,0,1,0,0|2,0,0]=4 8476 B11R1.348 CC(=O)NCC(=O)CC1CC1 1458a_100000194580_100000742324 [1,0,0,1,0,0|1,0,0]=3 8477 B11R1.348 CC(=O)NCC(=O)CC1CO1 1458a_100000194580_100011216344 [1,0,0,1,0,0|2,0,0]=4 8478 B11R1.348 CC(=O)NCC(=O)CC1CS1 1458a_100000194580_100000031435 [1,0,0,1,0,0|2,0,0]=4 8479 B11R1.348 CC(=O)NCC(=O)C[C@@H]1CO1 1458a_100000194580_100000745022 [1,0,0,1,0,0|2,0,0]=4 8480 B11R1.348 CC(=O)NCC(=O)NC1CC1 11a_100000702991_100015343762 [1,0,0,1,0,0|2,0,0]=4 8481 B11R1.348 CC(=O)NCC(=O)NC1CC1 1626a_100000212008_100000194580 [1,0,0,1,0,0|2,0,0]=4 8482 B11R1.348 CC(=O)NCC(=O)NC1CC1 1626a_100000702991_100015343762 [1,0,0,1,0,0|2,0,0]=4 8483 B11R1.348 CC(=O)NCC(=O)NC1CC1 240690a_100000212008_100000194580 [1,0,0,1,0,0|2,0,0]=4 8484 B11R1.348 CC(=O)NCC(=O)NC1CC1 240690a_100000702991_100015343762 [1,0,0,1,0,0|2,0,0]=4 8485 B11R1.348 CC(=O)NCC(=O)NC1CC1 527a_100000212008_100000194580 [1,0,0,1,0,0|2,0,0]=4 8486 B11R1.348 CC(=O)NCC(=O)NC1CC1 527a_100000702991_100103153847 [1,0,0,1,0,0|2,0,0]=4 8487 B11R1.348 CC(=O)NNC(=O)CC1CC1 22a_100000189765_100000738066 [1,0,0,1,0,0|2,0,0]=4 8488 B11R1.348 CC(=O)OCC(=O)CC1CC1 1458a_100000183556_100000742324 [1,0,0,1,0,0|1,0,0]=3 8489 B11R1.348 CC(=O)OCC(=O)CC1CO1 1458a_100000183556_100011216344 [1,0,0,1,0,0|2,0,0]=4 8490 B11R1.348 CC(=O)OCC(=O)CC1CS1 1458a_100000183556_100000031435 [1,0,0,1,0,0|2,0,0]=4 8491 B11R1.348 CC(=O)OCC(=O)C[C@@H]1CO1 1458a_100000183556_100000745022 [1,0,0,1,0,0|2,0,0]=4 8492 B11R1.348 CC(=O)OCC(=O)NC1CC1 1626a_100000212008_100000183556 [1,0,0,1,0,0|2,0,0]=4 8493 B11R1.348 CC(=O)OCC(=O)NC1CC1 240690a_100000212008_100000183556 [1,0,0,1,0,0|2,0,0]=4 8494 B11R1.348 CC(=O)OCC(=O)NC1CC1 527a_100000212008_100000183556 [1,0,0,1,0,0|2,0,0]=4 8495 B11R1.348 CC(=O)SCC(=O)CC1CC1 1458a_100000049016_100000742324 [1,0,0,1,0,0|1,0,0]=3 8496 B11R1.348 CC(=O)SCC(=O)CC1CO1 1458a_100000049016_100011216344 [1,0,0,1,0,0|2,0,0]=4 8497 B11R1.348 CC(=O)SCC(=O)CC1CS1 1458a_100000049016_100000031435 [1,0,0,1,0,0|2,0,0]=4 8498 B11R1.348 CC(=O)SCC(=O)C[C@@H]1CO1 1458a_100000049016_100000745022 [1,0,0,1,0,0|2,0,0]=4 8499 B11R1.348 CC(=O)SCC(=O)NC1CC1 1626a_100000212008_100000049016 [1,0,0,1,0,0|2,0,0]=4 8500 B11R1.348 CC(=O)SCC(=O)NC1CC1 240690a_100000212008_100000049016 [1,0,0,1,0,0|2,0,0]=4 8501 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000181311_100000742324 [1,0,0,1,0,0|1,0,1]=4 8502 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000738066_100000210312 [1,0,0,1,0,0|1,0,1]=4 8503 B11R1.348 CC(O)CCC(=O)CC1CC1 1458a_100000738066_100012276601 [1,0,0,1,0,0|0,0,2]=4 8504 B11R1.348 C[S+](C)CCC(=O)CC1CC1 1458a_100009452791_100000742324 [1,0,0,1,0,0|2,0,0]=4 8505 B11R1.348 NC(=O)CCC(=O)CC1CC1 1458a_100011215257_100000742324 [1,0,0,1,0,0|1,0,0]=3 8506 B11R1.348 NC(=O)CCC(=O)CC1CO1 1458a_100011215257_100011216344 [1,0,0,1,0,0|2,0,0]=4 8507 B11R1.348 NC(=O)CCC(=O)CC1CS1 1458a_100011215257_100000031435 [1,0,0,1,0,0|2,0,0]=4 8508 B11R1.348 NC(=O)CCC(=O)C[C@@H]1CO1 1458a_100011215257_100000745022 [1,0,0,1,0,0|2,0,0]=4 8509 B11R1.348 NC(=O)CCC(=O)NC1CC1 240690a_100000212008_100011215257 [1,0,0,1,0,0|2,0,0]=4 8510 B11R1.348 NC(=O)CCC(=O)NC1CC1 527a_100000212008_100011215257 [1,0,0,1,0,0|2,0,0]=4 8511 B11R1.348 NC(=O)CNC(=O)CC1CC1 11a_100000711301_100000738066 [1,0,0,1,0,0|2,0,0]=4 8512 B11R1.348 NC(=O)CNC(=O)CC1CC1 240690a_100000711301_100000738066 [1,0,0,1,0,0|2,0,0]=4 8513 B11R1.348 NC(=O)CNC(=O)CC1CC1 527a_100000711301_100000738066 [1,0,0,1,0,0|2,0,0]=4 8514 B11R1.348 NC(=O)NCC(=O)CC1CC1 1458a_100000184981_100000742324 [1,0,0,1,0,0|2,0,0]=4 8515 B11R1.348 O=C(CC[N+](=O)[O-])CC1CC1 1458a_200000064761_100000742324 [1,0,0,1,0,0|2,0,0]=4 8516 B11R1.497 CC(=O)N1CCCNC(=O)C1 11a_100015190381_100015343762 [1,0,0,1,0,0|2,0,0]=4 8517 B11R1.497 CC(=O)N1CCCNC(=O)C1 1626a_100015190381_100015343762 [1,0,0,1,0,0|2,0,0]=4 8518 B11R1.497 CC(=O)N1CCCNC(=O)C1 240690a_100015190381_100015343762 [1,0,0,1,0,0|2,0,0]=4 8519 B11R1.497 CC(=O)N1CCCNC(=O)C1 527a_100015190381_100103153847 [1,0,0,1,0,0|2,0,0]=4 8520 B11R1.995 CCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210211 [1,0,0,1,0,0|1,0,1]=4 8521 B11R1.29 C/C=C/CC(=O)C1CCCC1 1458a_100000210718_100102629194 [1,0,0,1,0,0|1,0,1]=4 8522 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [1,0,0,1,0,0|1,0,1]=4 8523 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [1,0,0,1,0,0|1,0,1]=4 8524 B11R1.29 C=CCCC(=O)N1CCCC1 240690a_100000188435_100000749702 [1,0,0,1,0,0|1,0,1]=4 8525 B11R1.29 C=CCCC(=O)N1CCCC1 527a_100000188435_100000749702 [1,0,0,1,0,0|1,0,1]=4 8526 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100000210718_100000070051 [1,0,0,1,0,0|1,0,1]=4 8527 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100121576822_100000179811 [1,0,0,1,0,0|1,0,1]=4 8528 B11R1.29 CC=CCC(=O)N1CCCC1 240690a_100000188435_100121576822 [1,0,0,1,0,0|1,0,1]=4 8529 B11R1.29 CC=CCC(=O)N1CCCC1 527a_100000188435_100121576822 [1,0,0,1,0,0|1,0,1]=4 8530 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [1,0,0,1,0,0|1,0,1]=4 8531 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [1,0,0,1,0,0|1,0,1]=4 8532 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [1,0,0,1,0,0|1,0,1]=4 8533 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [1,0,0,1,0,0|1,0,1]=4 8534 B11R1.29 CNCCC(=O)N1CCCC1 2230a_106832991635_100011194422 [1,0,0,1,0,0|2,0,0]=4 8535 B11R1.29 CNCCC(=O)N1CCCC1 34a_100102657272_100011194422 [1,0,0,1,0,0|2,0,0]=4 8536 B11R1.29 CNCCC(=O)N1CCCC1 7a_106832991635_100011194422 [1,0,0,1,0,0|2,0,0]=4 8537 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [1,0,0,1,0,0|2,0,0]=4 8538 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [1,0,0,1,0,0|2,0,0]=4 8539 B11R1.29 COCCC(=O)N1CCCC1 240690a_100000188435_100000749529 [1,0,0,1,0,0|2,0,0]=4 8540 B11R1.29 COCCC(=O)N1CCCC1 34a_100138415774_100011194422 [1,0,0,1,0,0|2,0,0]=4 8541 B11R1.29 COCCC(=O)N1CCCC1 527a_100000188435_100000749529 [1,0,0,1,0,0|2,0,0]=4 8542 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [1,0,0,1,0,0|2,0,0]=4 8543 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [1,0,0,1,0,0|2,0,0]=4 8544 B11R1.29 CSCCC(=O)N1CCCC1 240690a_100000188435_100000174002 [1,0,0,1,0,0|2,0,0]=4 8545 B11R1.29 CSCCC(=O)N1CCCC1 527a_100000188435_100000174002 [1,0,0,1,0,0|2,0,0]=4 8546 B11R1.29 CSCCC(=O)N1CCCC1 62a_100011194422_200000210301 [1,0,0,1,0,0|2,0,0]=4 8547 B11R1.29 CSCCC(=O)N1CCCC1 62a_200000210301_100011194422 [1,0,0,1,0,0|2,0,0]=4 8548 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_100011194422_200025704644 [1,0,0,1,0,0|2,0,0]=4 8549 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_200025704644_100011194422 [1,0,0,1,0,0|2,0,0]=4 8550 B11R1.282 C/C=C/CC(=O)C1CC1CC 1458a_200011661523_100102629194 [1,0,0,1,0,0|1,0,1]=4 8551 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [1,0,0,1,0,0|1,0,1]=4 8552 B11R1.282 CC=CCC(=O)C1CC1CC 1458a_200011661523_100000070051 [1,0,0,1,0,0|1,0,1]=4 8553 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [1,0,0,1,0,0|2,0,0]=4 8554 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [1,0,0,1,0,0|2,0,0]=4 8555 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [1,0,0,1,0,0|1,0,1]=4 8556 B11R1.284 C/C=C/CC(=O)CC1CCC1 1458a_100000763092_100102629194 [1,0,0,1,0,0|1,0,1]=4 8557 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000749702_100000763275 [1,0,0,1,0,0|1,0,1]=4 8558 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000763092_100000754431 [1,0,0,1,0,0|1,0,1]=4 8559 B11R1.284 C=CCCC(=O)NC1CCC1 11a_100000749019_100000749702 [1,0,0,1,0,0|1,0,1]=4 8560 B11R1.284 C=CCCC(=O)NC1CCC1 1626a_100000749019_100000749702 [1,0,0,1,0,0|1,0,1]=4 8561 B11R1.284 C=CCCC(=O)NC1CCC1 240690a_100000749019_100000749702 [1,0,0,1,0,0|1,0,1]=4 8562 B11R1.284 C=CCCC(=O)NC1CCC1 527a_100000749019_100000749702 [1,0,0,1,0,0|1,0,1]=4 8563 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100000763092_100000070051 [1,0,0,1,0,0|1,0,1]=4 8564 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100121576822_100000763275 [1,0,0,1,0,0|1,0,1]=4 8565 B11R1.284 CC=CCC(=O)NC1CCC1 11a_100000749019_100121576822 [1,0,0,1,0,0|1,0,1]=4 8566 B11R1.284 CC=CCC(=O)NC1CCC1 1626a_100000749019_100121576822 [1,0,0,1,0,0|1,0,1]=4 8567 B11R1.284 CC=CCC(=O)NC1CCC1 240690a_100000749019_100121576822 [1,0,0,1,0,0|1,0,1]=4 8568 B11R1.284 CC=CCC(=O)NC1CCC1 527a_100000749019_100121576822 [1,0,0,1,0,0|1,0,1]=4 8569 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [1,0,0,1,0,0|1,0,1]=4 8570 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [1,0,0,1,0,0|1,0,1]=4 8571 B11R1.284 CCCCC(=O)NC1CCC1 11a_100000749019_100000210183 [1,0,0,1,0,0|1,0,1]=4 8572 B11R1.284 CCCCC(=O)NC1CCC1 1626a_100000749019_100000210183 [1,0,0,1,0,0|1,0,1]=4 8573 B11R1.284 CCCCC(=O)NC1CCC1 240690a_100000749019_100000210183 [1,0,0,1,0,0|1,0,1]=4 8574 B11R1.284 CCCCC(=O)NC1CCC1 527a_100000749019_100000210183 [1,0,0,1,0,0|1,0,1]=4 8575 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000749529_100000763275 [1,0,0,1,0,0|2,0,0]=4 8576 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000763092_100000233755 [1,0,0,1,0,0|2,0,0]=4 8577 B11R1.284 COCCC(=O)NC1CCC1 11a_100000749019_100000749529 [1,0,0,1,0,0|2,0,0]=4 8578 B11R1.284 COCCC(=O)NC1CCC1 1626a_100000749019_100000749529 [1,0,0,1,0,0|2,0,0]=4 8579 B11R1.284 COCCC(=O)NC1CCC1 240690a_100000749019_100000749529 [1,0,0,1,0,0|2,0,0]=4 8580 B11R1.284 COCCC(=O)NC1CCC1 527a_100000749019_100000749529 [1,0,0,1,0,0|2,0,0]=4 8581 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000174002_100000763275 [1,0,0,1,0,0|2,0,0]=4 8582 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000763092_100000751147 [1,0,0,1,0,0|2,0,0]=4 8583 B11R1.284 CSCCC(=O)NC1CCC1 11a_100000749019_100000174002 [1,0,0,1,0,0|2,0,0]=4 8584 B11R1.284 CSCCC(=O)NC1CCC1 1626a_100000749019_100000174002 [1,0,0,1,0,0|2,0,0]=4 8585 B11R1.284 CSCCC(=O)NC1CCC1 240690a_100000749019_100000174002 [1,0,0,1,0,0|2,0,0]=4 8586 B11R1.284 CSCCC(=O)NC1CCC1 527a_100000749019_100000174002 [1,0,0,1,0,0|2,0,0]=4 8587 B11R1.286 C=CCCC(=O)N1CCC1C 11a_100000755817_100000749702 [1,0,0,1,0,0|1,0,1]=4 8588 B11R1.286 C=CCCC(=O)N1CCC1C 240690a_100000755817_100000749702 [1,0,0,1,0,0|1,0,1]=4 8589 B11R1.286 C=CCCC(=O)N1CCC1C 527a_100000755817_100000749702 [1,0,0,1,0,0|1,0,1]=4 8590 B11R1.286 CC=CCC(=O)N1CCC1C 11a_100000755817_100121576822 [1,0,0,1,0,0|1,0,1]=4 8591 B11R1.286 CC=CCC(=O)N1CCC1C 240690a_100000755817_100121576822 [1,0,0,1,0,0|1,0,1]=4 8592 B11R1.286 CC=CCC(=O)N1CCC1C 527a_100000755817_100121576822 [1,0,0,1,0,0|1,0,1]=4 8593 B11R1.286 CCCCC(=O)N1CCC1C 11a_100000755817_100000210183 [1,0,0,1,0,0|1,0,1]=4 8594 B11R1.286 CCCCC(=O)N1CCC1C 240690a_100000755817_100000210183 [1,0,0,1,0,0|1,0,1]=4 8595 B11R1.286 CCCCC(=O)N1CCC1C 527a_100000755817_100000210183 [1,0,0,1,0,0|1,0,1]=4 8596 B11R1.286 COCCC(=O)N1CCC1C 11a_100000755817_100000749529 [1,0,0,1,0,0|2,0,0]=4 8597 B11R1.286 COCCC(=O)N1CCC1C 240690a_100000755817_100000749529 [1,0,0,1,0,0|2,0,0]=4 8598 B11R1.286 COCCC(=O)N1CCC1C 527a_100000755817_100000749529 [1,0,0,1,0,0|2,0,0]=4 8599 B11R1.286 CSCCC(=O)N1CCC1C 11a_100000755817_100000174002 [1,0,0,1,0,0|2,0,0]=4 8600 B11R1.286 CSCCC(=O)N1CCC1C 240690a_100000755817_100000174002 [1,0,0,1,0,0|2,0,0]=4 8601 B11R1.286 CSCCC(=O)N1CCC1C 527a_100000755817_100000174002 [1,0,0,1,0,0|2,0,0]=4 8602 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [1,0,0,1,0,0|1,0,1]=4 8603 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [1,0,0,1,0,0|1,0,1]=4 8604 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000212188_100000687716 [1,0,0,1,0,0|2,0,0]=4 8605 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000758290_100000210326 [1,0,0,1,0,0|2,0,0]=4 8606 B11R1.299 CCCCNC(=O)C1CCC1 11a_100000102301_100000209988 [1,0,0,1,0,0|1,0,1]=4 8607 B11R1.299 CCCCNC(=O)C1CCC1 1626a_100000102301_100000209988 [1,0,0,1,0,0|1,0,1]=4 8608 B11R1.299 CCCCNC(=O)C1CCC1 240690a_100000102301_100000209988 [1,0,0,1,0,0|1,0,1]=4 8609 B11R1.299 CCCCNC(=O)C1CCC1 527a_100000102301_100000209988 [1,0,0,1,0,0|1,0,1]=4 8610 B11R1.299 CCCCNC(=O)C1COC1 11a_100000102301_100000758290 [1,0,0,1,0,0|2,0,0]=4 8611 B11R1.299 CCCCNC(=O)C1COC1 1626a_100000102301_100000758290 [1,0,0,1,0,0|2,0,0]=4 8612 B11R1.299 CCCCNC(=O)C1COC1 240690a_100000102301_100000758290 [1,0,0,1,0,0|2,0,0]=4 8613 B11R1.299 CCCCNC(=O)C1COC1 527a_100000102301_100000758290 [1,0,0,1,0,0|2,0,0]=4 8614 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [1,0,0,1,0,0|1,0,1]=4 8615 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [1,0,0,1,0,0|1,0,1]=4 8616 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [1,0,0,1,0,0|2,0,0]=4 8617 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [1,0,0,1,0,0|2,0,0]=4 8618 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [1,0,0,1,0,0|2,0,0]=4 8619 B11R1.301 CCCCNC(=O)CC1CC1 11a_100000102301_100000738066 [1,0,0,1,0,0|1,0,1]=4 8620 B11R1.301 CCCCNC(=O)CC1CC1 1626a_100000102301_100000738066 [1,0,0,1,0,0|1,0,1]=4 8621 B11R1.301 CCCCNC(=O)CC1CC1 240690a_100000102301_100000738066 [1,0,0,1,0,0|1,0,1]=4 8622 B11R1.301 CCCCNC(=O)CC1CC1 527a_100000102301_100000738066 [1,0,0,1,0,0|1,0,1]=4 8623 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100000210303_100009820769 [1,0,0,1,0,0|2,0,0]=4 8624 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100009820769_100000210303 [1,0,0,1,0,0|2,0,0]=4 8625 B11R1.465 CNCCN1C(=O)CCC1=O 2230a_106832991635_100000736797 [1,0,0,1,0,0|2,0,0]=4 8626 B11R1.465 CNCCN1C(=O)CCC1=O 34a_100102657272_100000736797 [1,0,0,1,0,0|2,0,0]=4 8627 B11R1.465 CNCCN1C(=O)CCC1=O 7a_106832991635_100000736797 [1,0,0,1,0,0|2,0,0]=4 8628 B11R1.465 COCCN1C(=O)CCC1=O 34a_100000230492_200000210301 [1,0,0,1,0,0|2,0,0]=4 8629 B11R1.465 COCCN1C(=O)CCC1=O 34a_100138415774_100000736797 [1,0,0,1,0,0|2,0,0]=4 8630 B11R1.465 CSCCN1C(=O)CCC1=O 62a_200000210301_100000736797 [1,0,0,1,0,0|2,0,0]=4 8631 B11R1.465 [13CH3]OCCN1C(=O)CCC1=O 34a_100000230492_200025704644 [1,0,0,1,0,0|2,0,0]=4 8632 B11R1.465 [13CH3]SCCN1C(=O)CCC1=O 62a_200025704644_100000736797 [1,0,0,1,0,0|2,0,0]=4 8633 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [1,0,0,1,0,0|1,0,1]=4 8634 B11R1.1034 CCCCNC(=O)C1CC1C 11a_100000102301_100000211227 [1,0,0,1,0,0|1,0,1]=4 8635 B11R1.1034 CCCCNC(=O)C1CC1C 1626a_100000102301_100000211227 [1,0,0,1,0,0|1,0,1]=4 8636 B11R1.1034 CCCCNC(=O)C1CC1C 527a_100000102301_100000211227 [1,0,0,1,0,0|1,0,1]=4 8637 B11R1.77 C=C(C)CC(=O)C1CCCC1 1458a_100000210718_100000748629 [0,0,0,1,1,0|2,0,0]=4 8638 B11R1.77 CC(=O)CC(=O)N1CCCC1 1458a_100000070787_100000183516 [0,0,0,1,1,0|1,0,0]=3 8639 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000187820 [0,0,0,1,1,0|2,0,0]=4 8640 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100134613110_100000179811 [0,0,0,1,1,0|2,0,0]=4 8641 B11R1.77 NC(=O)CC(=O)N1CCCC1 240690a_100000188435_100134613110 [0,0,0,1,1,0|2,0,0]=4 8642 B11R1.77 NC(=O)CC(=O)N1CCCC1 527a_100000188435_100134613110 [0,0,0,1,1,0|2,0,0]=4 8643 B11R1.77 O=C([O-])CC(=O)C1CCCC1 1458a_100000210718_100020667443 [0,0,0,1,1,0|2,0,0]=4 8644 B11R1.141 CC1CCN1C(=O)CC(=O)N 240690a_100000755817_100134613110 [0,0,0,1,1,0|2,0,0]=4 8645 B11R1.141 CC1CCN1C(=O)CC(=O)N 527a_100000755817_100134613110 [0,0,0,1,1,0|2,0,0]=4 8646 B11R1.257 C=C(C)CC(=O)C1CC1CC 1458a_200011661523_100000748629 [0,0,0,1,1,0|2,0,0]=4 8647 B11R1.257 CCC1CC1C(=O)CC(=O)N 1458a_200011661523_100000187820 [0,0,0,1,1,0|2,0,0]=4 8648 B11R1.257 CCC1CC1C(=O)CC(=O)[O-] 1458a_200011661523_100020667443 [0,0,0,1,1,0|2,0,0]=4 8649 B11R1.484 C=C(C)CC(=O)CC1CCC1 1458a_100000763092_100000748629 [0,0,0,1,1,0|2,0,0]=4 8650 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000187820 [0,0,0,1,1,0|2,0,0]=4 8651 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100134613110_100000763275 [0,0,0,1,1,0|2,0,0]=4 8652 B11R1.484 NC(=O)CC(=O)NC1CCC1 240690a_100000749019_100134613110 [0,0,0,1,1,0|2,0,0]=4 8653 B11R1.484 NC(=O)CC(=O)NC1CCC1 527a_100000749019_100134613110 [0,0,0,1,1,0|2,0,0]=4 8654 B11R1.484 O=C([O-])CC(=O)CC1CCC1 1458a_100000763092_100020667443 [0,0,0,1,1,0|2,0,0]=4 8655 B11R1.485 C=C(C)CC(=O)CCC1CC1 1458a_100000756386_100000748629 [0,0,0,1,1,0|2,0,0]=4 8656 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000187820 [0,0,0,1,1,0|2,0,0]=4 8657 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100134613110_100000694398 [0,0,0,1,1,0|2,0,0]=4 8658 B11R1.485 NC(=O)CC(=O)NCC1CC1 240690a_100000735609_100134613110 [0,0,0,1,1,0|2,0,0]=4 8659 B11R1.485 NC(=O)CC(=O)NCC1CC1 527a_100000735609_100134613110 [0,0,0,1,1,0|2,0,0]=4 8660 B11R1.485 O=C([O-])CC(=O)CCC1CC1 1458a_100000756386_100020667443 [0,0,0,1,1,0|2,0,0]=4 8661 B13R1.23 CCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210326 [0,0,0,1,0,1|2,0,0]=4 8662 B13R1.23 CCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210326 [0,0,0,1,0,1|1,0,0]=3 8663 B13R1.23 CCCCCC(=O)C1CNC(=O)N1 1458a_100000033324_100000210326 [0,0,0,1,0,1|2,0,0]=4 8664 B13R1.23 CCCCCC(=O)N1CNC(=O)C1 11a_200000708111_100000212188 [0,0,0,1,0,1|2,0,0]=4 8665 B13R1.23 CCCCCC(=O)N1CNC(=O)C1 1626a_200000708111_100000212188 [0,0,0,1,0,1|2,0,0]=4 8666 B13R1.23 CCCCCC(=O)N1CNC(=O)C1 240690a_200000708111_100000212188 [0,0,0,1,0,1|2,0,0]=4 8667 B13R1.23 CCCCCC(=O)N1CNC(=O)C1 527a_200000708111_100000212188 [0,0,0,1,0,1|2,0,0]=4 8668 B13R1.23 CCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210326 [0,0,0,1,0,1|2,0,0]=4 8669 B13R1.23 CCCCCC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_100000210326 [0,0,0,1,0,1|2,0,0]=4 8670 B13R1.23 CCCCNC(=O)C1CCC(=O)N1 240690a_100000102301_100000210400 [0,0,0,1,0,1|2,0,0]=4 8671 B13R1.23 CCCCNC(=O)C1CNC(=O)C1 11a_100000102301_100000747279 [0,0,0,1,0,1|1,0,0]=3 8672 B13R1.23 CCCCNC(=O)C1CNC(=O)C1 1626a_100000102301_100000747279 [0,0,0,1,0,1|1,0,0]=3 8673 B13R1.23 CCCCNC(=O)C1CNC(=O)C1 240690a_100000102301_100000747279 [0,0,0,1,0,1|1,0,0]=3 8674 B13R1.23 CCCCNC(=O)C1CNC(=O)C1 527a_100000102301_100000747279 [0,0,0,1,0,1|1,0,0]=3 8675 B13R1.23 CCCCNC(=O)C1CNC(=O)N1 11a_100000102301_100000033324 [0,0,0,1,0,1|2,0,0]=4 8676 B13R1.23 CCCCNC(=O)C1CNC(=O)N1 240690a_100000102301_100000033324 [0,0,0,1,0,1|2,0,0]=4 8677 B13R1.23 CCCCNC(=O)N1CNC(=O)C1 2708a_100000102301_200000708111 [0,0,0,1,0,1|2,0,0]=4 8678 B13R1.23 CCCCNC(=O)N1CNC(=O)C1 273464a_100000102301_200000708111 [0,0,0,1,0,1|2,0,0]=4 8679 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000102301_100009814974 [0,0,0,1,0,1|2,0,0]=4 8680 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000102301_100009814974 [0,0,0,1,0,1|2,0,0]=4 8681 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000102301_100009814974 [0,0,0,1,0,1|2,0,0]=4 8682 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000102301_100009814974 [0,0,0,1,0,1|2,0,0]=4 8683 B13R1.23 CCCCNC(=O)[C@@H]1CSC(=O)N1 240690a_100000102301_100000735014 [0,0,0,1,0,1|2,0,0]=4 8684 B13R1.23 CCCNNC(=O)C1CNC(=O)C1 22a_100000740057_100000747279 [0,0,0,1,0,1|2,0,0]=4 8685 B13R1.23 CCOCCC(=O)C1CNC(=O)C1 1458a_100000747279_100011215890 [0,0,0,1,0,1|2,0,0]=4 8686 B13R1.23 CCSCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000757381 [0,0,0,1,0,1|2,0,0]=4 8687 B13R1.23 COCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000740836 [0,0,0,1,0,1|2,0,0]=4 8688 B13R1.23 COCCNC(=O)C1CNC(=O)C1 1626a_100000209980_100000747279 [0,0,0,1,0,1|2,0,0]=4 8689 B13R1.23 COCCNC(=O)C1CNC(=O)C1 240690a_100000209980_100000747279 [0,0,0,1,0,1|2,0,0]=4 8690 B13R1.23 COCCNC(=O)C1CNC(=O)C1 527a_100000209980_100000747279 [0,0,0,1,0,1|2,0,0]=4 8691 B13R1.23 CSCCNC(=O)C1CNC(=O)C1 11a_100020590264_100000747279 [0,0,0,1,0,1|2,0,0]=4 8692 B13R1.23 CSCCNC(=O)C1CNC(=O)C1 1626a_100020590264_100000747279 [0,0,0,1,0,1|2,0,0]=4 8693 B13R1.23 CSCCNC(=O)C1CNC(=O)C1 240690a_100020590264_100000747279 [0,0,0,1,0,1|2,0,0]=4 8694 B13R1.23 CSCCNC(=O)C1CNC(=O)C1 527a_100020590264_100000747279 [0,0,0,1,0,1|2,0,0]=4 8695 B13R1.23 O=C1CC(CN1)C(=O)CCCCF 1458a_100000747279_100000729493 [0,0,0,1,0,1|2,0,0]=4 8696 B13R1.23 O=C1CC(CN1)C(=O)CCCCO 1458a_100000747279_100000210776 [0,0,0,1,0,1|2,0,0]=4 8697 B13R1.23 O=C1CC(CN1)C(=O)NCCCF 11a_100015189416_100000747279 [0,0,0,1,0,1|2,0,0]=4 8698 B13R1.23 O=C1CC(CN1)C(=O)NCCCF 1626a_100015189416_100000747279 [0,0,0,1,0,1|2,0,0]=4 8699 B13R1.23 O=C1CC(CN1)C(=O)NCCCF 240690a_100015189416_100000747279 [0,0,0,1,0,1|2,0,0]=4 8700 B13R1.23 O=C1CC(CN1)C(=O)NCCCF 527a_100015189416_100000747279 [0,0,0,1,0,1|2,0,0]=4 8701 B13R1.23 O=C1CC(CN1)C(=O)NCCCO 240690a_100000182051_100000747279 [0,0,0,1,0,1|2,0,0]=4 8702 B13R1.23 O=C1CC(CN1)C(=O)NCCCO 527a_100000182051_100000747279 [0,0,0,1,0,1|2,0,0]=4 8703 B13R1.280 C=C(C)CNC1CCCCNC1=O 2230a_100000698827_100000748629 [0,0,0,1,0,1|2,0,0]=4 8704 B13R1.280 C=C(C)CNC1CCCCNC1=O 34a_100000698827_100000748629 [0,0,0,1,0,1|2,0,0]=4 8705 B13R1.280 C=C(C)CSC1CCCCCC1=O 62a_100000243696_100000211660 [0,0,0,1,0,1|2,0,0]=4 8706 B13R1.280 C=C(C)CSC1CCCCCC1=O 62a_100000748629_100000243696 [0,0,0,1,0,1|2,0,0]=4 8707 B13R1.280 C=C(C)CSC1CCCCNC1=O 62a_100000735217_100000211660 [0,0,0,1,0,1|2,0,0]=4 8708 B13R1.280 C=C(C)CSC1CCCCNC1=O 62a_100000748629_100000735217 [0,0,0,1,0,1|2,0,0]=4 8709 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,0,0,1,0,1|1,0,0]=3 8710 B13R1.280 NC(=O)CNC1CCCCNC1=O 2230a_100000698827_100000747473 [0,0,0,1,0,1|2,0,0]=4 8711 B13R1.280 NC(=O)CNC1CCCCNC1=O 2230a_100000711301_100000735217 [0,0,0,1,0,1|2,0,0]=4 8712 B13R1.280 NC(=O)CNC1CCCCNC1=O 34a_100000698827_100000187820 [0,0,0,1,0,1|2,0,0]=4 8713 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747473 [0,0,0,1,0,1|2,0,0]=4 8714 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000747473_100000243696 [0,0,0,1,0,1|2,0,0]=4 8715 B13R1.280 NC(=O)CSC1CCCCNC1=O 62a_100000735217_100000747473 [0,0,0,1,0,1|2,0,0]=4 8716 B13R1.280 NC(=O)CSC1CCCCNC1=O 62a_100000747473_100000735217 [0,0,0,1,0,1|2,0,0]=4 8717 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,0,0,1,0,1|2,0,0]=4 8718 B13R1.280 O=C(O)CNC1CCCCNC1=O 269956a_100016091260_100000735217 [0,0,0,1,0,1|2,0,0]=4 8719 B13R1.280 O=C([O-])CNC1CCCCNC1=O 34a_100000698827_100020667443 [0,0,0,1,0,1|2,0,0]=4 8720 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100000243696_100020667443 [0,0,0,1,0,1|2,0,0]=4 8721 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100020667443_100000243696 [0,0,0,1,0,1|2,0,0]=4 8722 B13R1.280 O=C([O-])CSC1CCCCNC1=O 62a_100000735217_100020667443 [0,0,0,1,0,1|2,0,0]=4 8723 B13R1.280 O=C([O-])CSC1CCCCNC1=O 62a_100020667443_100000735217 [0,0,0,1,0,1|2,0,0]=4 8724 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,0,0,1,0,1|1,0,0]=3 8725 B13R1.342 C=C(C)CNCC(=O)N1CCCC1 2230a_100000751844_100000748629 [0,0,0,1,0,1|2,0,0]=4 8726 B13R1.342 C=C(C)COCC(=O)N1CCCC1 34a_100000210245_100000183516 [0,0,0,1,0,1|2,0,0]=4 8727 B13R1.342 C=C(C)COCC(=O)N1CCCC1 7a_200000752455_100000748629 [0,0,0,1,0,1|2,0,0]=4 8728 B13R1.342 C=C(C)CSCC(=O)N1CCCC1 62a_100000183516_100000211660 [0,0,0,1,0,1|2,0,0]=4 8729 B13R1.342 C=C(C)CSCC(=O)N1CCCC1 62a_100000748629_100000183516 [0,0,0,1,0,1|2,0,0]=4 8730 B13R1.342 CC(=CCCC(=O)C1CCCC1)C 1458a_100000210718_100011217483 [0,0,0,1,0,1|2,0,0]=4 8731 B13R1.342 CC(=O)CCCC(=O)C1=CCCC1 1458a_100000038896_100011215641 [0,0,0,1,0,1|1,0,1]=4 8732 B13R1.342 CC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215641 [0,0,0,1,0,1|1,0,0]=3 8733 B13R1.342 CC(=O)CCCC(=O)C1CCCS1 1458a_100012002731_100011215641 [0,0,0,1,0,1|2,0,0]=4 8734 B13R1.342 CC(=O)CCCC(=O)C1CCOC1 1458a_100011219752_100011215641 [0,0,0,1,0,1|2,0,0]=4 8735 B13R1.342 CC(=O)CCCC(=O)N1CCCC1 1458a_100000199733_200000210301 [0,0,0,1,0,1|1,0,0]=3 8736 B13R1.342 CC(=O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215641 [0,0,0,1,0,1|2,0,0]=4 8737 B13R1.342 CC(=O)COCC(=O)N1CCCC1 34a_100000211253_100000183516 [0,0,0,1,0,1|1,0,0]=3 8738 B13R1.342 CC(=O)NCCC(=O)C1=CCCC1 1458a_100000038896_100000189650 [0,0,0,1,0,1|1,0,1]=4 8739 B13R1.342 CC(=O)NCCC(=O)C1CCCC1 1458a_100000183196_100000179811 [0,0,0,1,0,1|1,0,0]=3 8740 B13R1.342 CC(=O)NCCC(=O)C1CCCC1 1458a_100000210718_100000189650 [0,0,0,1,0,1|1,0,0]=3 8741 B13R1.342 CC(=O)NCCC(=O)C1CCCS1 1458a_100012002731_100000189650 [0,0,0,1,0,1|2,0,0]=4 8742 B13R1.342 CC(=O)NCCC(=O)C1CCOC1 1458a_100000183196_100000690089 [0,0,0,1,0,1|2,0,0]=4 8743 B13R1.342 CC(=O)NCCC(=O)C1CCOC1 1458a_100011219752_100000189650 [0,0,0,1,0,1|2,0,0]=4 8744 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 11a_100015186530_100015343762 [0,0,0,1,0,1|1,0,0]=3 8745 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 1626a_100015186530_100015343762 [0,0,0,1,0,1|1,0,0]=3 8746 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 240690a_100000188435_100000183196 [0,0,0,1,0,1|1,0,0]=3 8747 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 240690a_100015186530_100015343762 [0,0,0,1,0,1|1,0,0]=3 8748 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 527a_100000188435_100000183196 [0,0,0,1,0,1|1,0,0]=3 8749 B13R1.342 CC(=O)NCCC(=O)N1CCCC1 527a_100015186530_100103153847 [0,0,0,1,0,1|1,0,0]=3 8750 B13R1.342 CC(=O)NCCC(=O)N1CCSC1 11a_100011215254_100000183196 [0,0,0,1,0,1|2,0,0]=4 8751 B13R1.342 CC(=O)NCCC(=O)N1CCSC1 240690a_100011215254_100000183196 [0,0,0,1,0,1|2,0,0]=4 8752 B13R1.342 CC(=O)NCCC(=O)N1CCSC1 527a_100011215254_100000183196 [0,0,0,1,0,1|2,0,0]=4 8753 B13R1.342 CC(=O)NCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000189650 [0,0,0,1,0,1|2,0,0]=4 8754 B13R1.342 CC(=O)OCCC(=O)C1=CCCC1 1458a_100000038896_100009814007 [0,0,0,1,0,1|1,0,1]=4 8755 B13R1.342 CC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_100009814007 [0,0,0,1,0,1|1,0,0]=3 8756 B13R1.342 CC(=O)OCCC(=O)C1CCCS1 1458a_100012002731_100009814007 [0,0,0,1,0,1|2,0,0]=4 8757 B13R1.342 CC(=O)OCCC(=O)C1CCOC1 1458a_100011219752_100009814007 [0,0,0,1,0,1|2,0,0]=4 8758 B13R1.342 CC(=O)OCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100009814007 [0,0,0,1,0,1|2,0,0]=4 8759 B13R1.342 CC(=O)SCCC(=O)C1CCCC1 1458a_100000048949_100000179811 [0,0,0,1,0,1|1,0,0]=3 8760 B13R1.342 CC(=O)SCCC(=O)C1CCOC1 1458a_100000048949_100000690089 [0,0,0,1,0,1|2,0,0]=4 8761 B13R1.342 CC(=O)SCCC(=O)N1CCCC1 240690a_100000188435_100000048949 [0,0,0,1,0,1|1,0,0]=3 8762 B13R1.342 CC(=O)SCCC(=O)N1CCSC1 240690a_100011215254_100000048949 [0,0,0,1,0,1|2,0,0]=4 8763 B13R1.342 NC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100102525003 [0,0,0,1,0,1|2,0,0]=4 8764 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 11a_100000740010_100000210718 [0,0,0,1,0,1|2,0,0]=4 8765 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 240690a_100000740010_100000210718 [0,0,0,1,0,1|2,0,0]=4 8766 B13R1.342 NC(=O)CCNC(=O)C1CCCC1 527a_100000740010_100000210718 [0,0,0,1,0,1|2,0,0]=4 8767 B13R1.342 NC(=O)CCNC(=O)N1CCCC1 273464a_100000740010_100000188435 [0,0,0,1,0,1|2,0,0]=4 8768 B13R1.342 NC(=O)CNCC(=O)N1CCCC1 2230a_100000711301_100000183516 [0,0,0,1,0,1|2,0,0]=4 8769 B13R1.342 NC(=O)CNCC(=O)N1CCCC1 2230a_100000751844_100000747473 [0,0,0,1,0,1|2,0,0]=4 8770 B13R1.342 NC(=O)COCC(=O)C1CCCC1 1458a_100011219004_100000179811 [0,0,0,1,0,1|2,0,0]=4 8771 B13R1.342 NC(=O)COCC(=O)N1CCCC1 240690a_100000188435_100011219004 [0,0,0,1,0,1|2,0,0]=4 8772 B13R1.342 NC(=O)COCC(=O)N1CCCC1 527a_100000188435_100011219004 [0,0,0,1,0,1|2,0,0]=4 8773 B13R1.342 NC(=O)COCC(=O)N1CCCC1 7a_200000752455_100000187820 [0,0,0,1,0,1|2,0,0]=4 8774 B13R1.342 NC(=O)CSCC(=O)N1CCCC1 240690a_100000188435_100000150265 [0,0,0,1,0,1|2,0,0]=4 8775 B13R1.342 NC(=O)CSCC(=O)N1CCCC1 527a_100000188435_100000150265 [0,0,0,1,0,1|2,0,0]=4 8776 B13R1.342 NC(=O)CSCC(=O)N1CCCC1 62a_100000183516_100000747473 [0,0,0,1,0,1|2,0,0]=4 8777 B13R1.342 NC(=O)CSCC(=O)N1CCCC1 62a_100000747473_100000183516 [0,0,0,1,0,1|2,0,0]=4 8778 B13R1.342 NC(=O)NCCC(=O)C1CCCC1 1458a_100000181464_100000179811 [0,0,0,1,0,1|2,0,0]=4 8779 B13R1.342 NC(=O)NCCC(=O)C1CCCC1 1458a_100000210718_200000034859 [0,0,0,1,0,1|2,0,0]=4 8780 B13R1.342 NC(=O)NCCC(=O)N1CCCC1 240690a_100000188435_100000181464 [0,0,0,1,0,1|2,0,0]=4 8781 B13R1.342 NC(=O)NCCC(=O)N1CCCC1 527a_100000188435_100000181464 [0,0,0,1,0,1|2,0,0]=4 8782 B13R1.342 NC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_200011214921 [0,0,0,1,0,1|2,0,0]=4 8783 B13R1.342 O=C(O)CNCC(=O)N1CCCC1 269956a_100016091260_100000183516 [0,0,0,1,0,1|2,0,0]=4 8784 B13R1.342 O=C([O-])CSCC(=O)N1CCCC1 62a_100000183516_100020667443 [0,0,0,1,0,1|2,0,0]=4 8785 B13R1.342 O=C([O-])CSCC(=O)N1CCCC1 62a_100020667443_100000183516 [0,0,0,1,0,1|2,0,0]=4 8786 B13R1.342 [13CH3]C(=O)CCCC(=O)N1CCCC1 1458a_100000199733_200025704644 [0,0,0,1,0,1|1,0,0]=3 8787 B13R1.658 CCCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210211 [0,0,0,1,0,1|1,0,1]=4 8788 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 11a_100132301982_100000212188 [0,0,0,1,0,1|2,0,0]=4 8789 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 1626a_100132301982_100000212188 [0,0,0,1,0,1|2,0,0]=4 8790 B13R1.727 C=C1CC(C1)NC(=O)CCCCC 527a_100132301982_100000212188 [0,0,0,1,0,1|2,0,0]=4 8791 B13R1.727 C=C1CC(C1)NC(=O)NCCCC 2708a_100000102301_100132301982 [0,0,0,1,0,1|2,0,0]=4 8792 B13R1.727 C=C1CC(C1)NC(=O)NCCCC 2708a_100132301982_100000102301 [0,0,0,1,0,1|2,0,0]=4 8793 B13R1.727 C=C1CC(C1)NC(=O)NCCCC 273464a_100000102301_100132301982 [0,0,0,1,0,1|2,0,0]=4 8794 B13R1.727 C=C1CC(C1)NC(=O)NCCCC 273464a_100132301982_100000102301 [0,0,0,1,0,1|2,0,0]=4 8795 B13R1.727 C=C1CC(C1)NC(=O)NCCCC 512a_100000102301_100132301982 [0,0,0,1,0,1|2,0,0]=4 8796 B13R1.727 C=C1CC(C1)NC(=O)NCCCC 512a_100132301982_100000102301 [0,0,0,1,0,1|2,0,0]=4 8797 B13R1.727 CCCC#CC(=O)CC1CC(=O)C1 1458a_200011218047_100009874392 [0,0,0,1,0,1|1,0,1]=4 8798 B13R1.727 CCCC=CC(=O)CC1CC(=O)C1 1458a_100000212230_100009874392 [0,0,0,1,0,1|1,0,1]=4 8799 B13R1.727 CCCCCC(=O)CC1CC(=O)C1 1458a_100000212188_100009874392 [0,0,0,1,0,1|1,0,0]=3 8800 B13R1.727 CCCCOC(=O)CN1CC(C1)C 2230a_100000702820_100000211628 [0,0,0,1,0,1|1,0,1]=4 8801 B13R1.727 CCCCOC(=O)CN1CC(C1)C 269982a_100000702820_100000211628 [0,0,0,1,0,1|1,0,1]=4 8802 B13R1.727 CCCCOC(=O)CN1CC(C1)C 34a_100000702820_100000211628 [0,0,0,1,0,1|1,0,1]=4 8803 B13R1.727 CCCCOC(=O)CN1CC(C1)F 2230a_100000690557_100000211628 [0,0,0,1,0,1|1,0,1]=4 8804 B13R1.727 CCCCOC(=O)CN1CC(C1)F 269982a_100000690557_100000211628 [0,0,0,1,0,1|1,0,1]=4 8805 B13R1.727 CCCCOC(=O)CN1CC(C1)F 34a_100000690557_100000211628 [0,0,0,1,0,1|1,0,1]=4 8806 B13R1.727 CCCCOC(=O)CN1CC(C1)O 269982a_100000749847_100000211628 [0,0,0,1,0,1|0,0,2]=4 8807 B13R1.727 CCCOCC(=O)CC1CC(=O)C1 1458a_100000745993_100009874392 [0,0,0,1,0,1|2,0,0]=4 8808 B13R1.727 CCCSCC(=O)CC1CC(=O)C1 1458a_100000217233_100009874392 [0,0,0,1,0,1|2,0,0]=4 8809 B13R1.727 CCOCCC(=O)CC1CC(=O)C1 1458a_100000749530_100009874392 [0,0,0,1,0,1|2,0,0]=4 8810 B13R1.727 CCSCCC(=O)CC1CC(=O)C1 1458a_100000230768_100009874392 [0,0,0,1,0,1|2,0,0]=4 8811 B13R1.727 COCCCC(=O)CC1CC(=O)C1 1458a_100000741012_100009874392 [0,0,0,1,0,1|2,0,0]=4 8812 B13R1.727 CSCCCC(=O)CC1CC(=O)C1 1458a_100000173376_100009874392 [0,0,0,1,0,1|2,0,0]=4 8813 B13R1.727 O=C(CCCCO)CC1CC(=O)C1 1458a_100000695505_100009874392 [0,0,0,1,0,1|2,0,0]=4 8814 B13R1.729 CCCCOC(=O)CNCC1CC1 2230a_100000735609_100000211628 [0,0,0,1,0,1|1,0,1]=4 8815 B13R1.729 CCCCOC(=O)CNCC1CC1 34a_100000735609_100000211628 [0,0,0,1,0,1|1,0,1]=4 8816 B13R1.729 CCCCOC(=O)COCC1CC1 34a_100000211283_100000211628 [0,0,0,1,0,1|1,0,1]=4 8817 B13R1.729 CCCCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000211628 [0,0,0,1,0,1|0,0,2]=4 8818 B13R1.729 CCCCOC(=O)CSCC1CC1 62a_100000211628_100000742324 [0,0,0,1,0,1|1,0,1]=4 8819 B13R1.729 CCCCOC(=O)CSCC1CC1 62a_100000756562_100000211628 [0,0,0,1,0,1|1,0,1]=4 8820 B13R1.729 CCCCOC(=O)CSCC1CO1 62a_100000211628_102125554688 [0,0,0,1,0,1|0,0,2]=4 8821 B13R1.729 CCCCOC(=O)CSCC1CO1 62a_102125554688_100000211628 [0,0,0,1,0,1|0,0,2]=4 8822 B13R1.729 CCCCOC(=O)CSCC1CS1 62a_100000031435_100000211628 [0,0,0,1,0,1|0,1,1]=4 8823 B13R1.729 CCCCOC(=O)CSCC1CS1 62a_100000211628_100000031435 [0,0,0,1,0,1|0,1,1]=4 8824 B13R1.729 CCCCOC(=O)CSC[C@@H]1CO1 62a_100000211628_100000745022 [0,0,0,1,0,1|0,0,2]=4 8825 B13R1.729 CCCCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000211628 [0,0,0,1,0,1|0,0,2]=4 8826 B13R1.1047 CC(=CCCC(=O)CC1CCC1)C 1458a_100000763092_100011217483 [0,0,0,1,0,1|2,0,0]=4 8827 B13R1.1047 CC(=O)CCCC(=O)C=C1CCC1 1458a_100000686340_100011215641 [0,0,0,1,0,1|1,0,1]=4 8828 B13R1.1047 CC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215641 [0,0,0,1,0,1|1,0,0]=3 8829 B13R1.1047 CC(=O)CCCC(=O)CC1COC1 1458a_100000687760_100011215641 [0,0,0,1,0,1|2,0,0]=4 8830 B13R1.1047 CC(=O)NCCC(=O)C=C1CCC1 1458a_100000686340_100000189650 [0,0,0,1,0,1|1,0,1]=4 8831 B13R1.1047 CC(=O)NCCC(=O)CC1CCC1 1458a_100000183196_100000763275 [0,0,0,1,0,1|1,0,0]=3 8832 B13R1.1047 CC(=O)NCCC(=O)CC1CCC1 1458a_100000763092_100000189650 [0,0,0,1,0,1|1,0,0]=3 8833 B13R1.1047 CC(=O)NCCC(=O)CC1CCO1 1458a_100000183196_100000103362 [0,0,0,1,0,1|2,0,0]=4 8834 B13R1.1047 CC(=O)NCCC(=O)CC1COC1 1458a_100000183196_100010264016 [0,0,0,1,0,1|2,0,0]=4 8835 B13R1.1047 CC(=O)NCCC(=O)CC1COC1 1458a_100000687760_100000189650 [0,0,0,1,0,1|2,0,0]=4 8836 B13R1.1047 CC(=O)NCCC(=O)NC1CCC1 11a_100000749019_100000183196 [0,0,0,1,0,1|1,0,0]=3 8837 B13R1.1047 CC(=O)NCCC(=O)NC1CCC1 1626a_100000749019_100000183196 [0,0,0,1,0,1|1,0,0]=3 8838 B13R1.1047 CC(=O)NCCC(=O)NC1CCC1 240690a_100000749019_100000183196 [0,0,0,1,0,1|1,0,0]=3 8839 B13R1.1047 CC(=O)NCCC(=O)NC1CCC1 527a_100000749019_100000183196 [0,0,0,1,0,1|1,0,0]=3 8840 B13R1.1047 CC(=O)NCCC(=O)NC1COC1 11a_100016991112_100000183196 [0,0,0,1,0,1|2,0,0]=4 8841 B13R1.1047 CC(=O)NCCC(=O)NC1COC1 1626a_100016991112_100000183196 [0,0,0,1,0,1|2,0,0]=4 8842 B13R1.1047 CC(=O)NCCC(=O)NC1COC1 240690a_100016991112_100000183196 [0,0,0,1,0,1|2,0,0]=4 8843 B13R1.1047 CC(=O)NCCC(=O)NC1COC1 527a_100016991112_100000183196 [0,0,0,1,0,1|2,0,0]=4 8844 B13R1.1047 CC(=O)NCCC(=O)NC1CSC1 11a_100016994217_100000183196 [0,0,0,1,0,1|2,0,0]=4 8845 B13R1.1047 CC(=O)NCCC(=O)NC1CSC1 1626a_100016994217_100000183196 [0,0,0,1,0,1|2,0,0]=4 8846 B13R1.1047 CC(=O)NCCC(=O)NC1CSC1 240690a_100016994217_100000183196 [0,0,0,1,0,1|2,0,0]=4 8847 B13R1.1047 CC(=O)NCCC(=O)NC1CSC1 527a_100016994217_100000183196 [0,0,0,1,0,1|2,0,0]=4 8848 B13R1.1047 CC(=O)OCCC(=O)C=C1CCC1 1458a_100000686340_100009814007 [0,0,0,1,0,1|1,0,1]=4 8849 B13R1.1047 CC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_100009814007 [0,0,0,1,0,1|1,0,0]=3 8850 B13R1.1047 CC(=O)OCCC(=O)CC1COC1 1458a_100000687760_100009814007 [0,0,0,1,0,1|2,0,0]=4 8851 B13R1.1047 CC(=O)SCCC(=O)CC1CCC1 1458a_100000048949_100000763275 [0,0,0,1,0,1|1,0,0]=3 8852 B13R1.1047 CC(=O)SCCC(=O)CC1CCO1 1458a_100000048949_100000103362 [0,0,0,1,0,1|2,0,0]=4 8853 B13R1.1047 CC(=O)SCCC(=O)CC1COC1 1458a_100000048949_100010264016 [0,0,0,1,0,1|2,0,0]=4 8854 B13R1.1047 CC(=O)SCCC(=O)NC1CCC1 1626a_100000749019_100000048949 [0,0,0,1,0,1|1,0,0]=3 8855 B13R1.1047 CC(=O)SCCC(=O)NC1CCC1 240690a_100000749019_100000048949 [0,0,0,1,0,1|1,0,0]=3 8856 B13R1.1047 CC(=O)SCCC(=O)NC1COC1 1626a_100016991112_100000048949 [0,0,0,1,0,1|2,0,0]=4 8857 B13R1.1047 CC(=O)SCCC(=O)NC1COC1 240690a_100016991112_100000048949 [0,0,0,1,0,1|2,0,0]=4 8858 B13R1.1047 CC(=O)SCCC(=O)NC1CSC1 1626a_100016994217_100000048949 [0,0,0,1,0,1|2,0,0]=4 8859 B13R1.1047 CC(=O)SCCC(=O)NC1CSC1 240690a_100016994217_100000048949 [0,0,0,1,0,1|2,0,0]=4 8860 B13R1.1047 NC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100102525003 [0,0,0,1,0,1|2,0,0]=4 8861 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 11a_100000740010_100000763092 [0,0,0,1,0,1|2,0,0]=4 8862 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 240690a_100000740010_100000763092 [0,0,0,1,0,1|2,0,0]=4 8863 B13R1.1047 NC(=O)CCNC(=O)CC1CCC1 527a_100000740010_100000763092 [0,0,0,1,0,1|2,0,0]=4 8864 B13R1.1047 NC(=O)CCNC(=O)NC1CCC1 273464a_100000740010_100000749019 [0,0,0,1,0,1|2,0,0]=4 8865 B13R1.1047 NC(=O)CCNC(=O)NC1CCC1 273464a_100000749019_100000740010 [0,0,0,1,0,1|2,0,0]=4 8866 B13R1.1047 NC(=O)CCNC(=O)NC1CCC1 512a_100000749019_100000740010 [0,0,0,1,0,1|2,0,0]=4 8867 B13R1.1047 NC(=O)COCC(=O)CC1CCC1 1458a_100011219004_100000763275 [0,0,0,1,0,1|2,0,0]=4 8868 B13R1.1047 NC(=O)COCC(=O)NC1CCC1 1626a_100000749019_100011219004 [0,0,0,1,0,1|2,0,0]=4 8869 B13R1.1047 NC(=O)COCC(=O)NC1CCC1 240690a_100000749019_100011219004 [0,0,0,1,0,1|2,0,0]=4 8870 B13R1.1047 NC(=O)COCC(=O)NC1CCC1 527a_100000749019_100011219004 [0,0,0,1,0,1|2,0,0]=4 8871 B13R1.1047 NC(=O)CSCC(=O)NC1CCC1 11a_100000749019_100000150265 [0,0,0,1,0,1|2,0,0]=4 8872 B13R1.1047 NC(=O)CSCC(=O)NC1CCC1 240690a_100000749019_100000150265 [0,0,0,1,0,1|2,0,0]=4 8873 B13R1.1047 NC(=O)CSCC(=O)NC1CCC1 527a_100000749019_100000150265 [0,0,0,1,0,1|2,0,0]=4 8874 B13R1.1047 NC(=O)NCCC(=O)CC1CCC1 1458a_100000181464_100000763275 [0,0,0,1,0,1|2,0,0]=4 8875 B13R1.1047 NC(=O)NCCC(=O)CC1CCC1 1458a_100000763092_200000034859 [0,0,0,1,0,1|2,0,0]=4 8876 B13R1.1047 NC(=O)NCCC(=O)NC1CCC1 240690a_100000749019_100000181464 [0,0,0,1,0,1|2,0,0]=4 8877 B13R1.1047 NC(=O)NCCC(=O)NC1CCC1 527a_100000749019_100000181464 [0,0,0,1,0,1|2,0,0]=4 8878 B13R1.1047 NC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_200011214921 [0,0,0,1,0,1|2,0,0]=4 8879 B13R1.1048 CC(=CCCC(=O)CCC1CC1)C 1458a_100000756386_100011217483 [0,0,0,1,0,1|2,0,0]=4 8880 B13R1.1048 CC(=O)CCCC(=O)C=CC1CC1 1458a_100102529529_100011215641 [0,0,0,1,0,1|1,0,1]=4 8881 B13R1.1048 CC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215641 [0,0,0,1,0,1|1,0,0]=3 8882 B13R1.1048 CC(=O)NCCC(=O)C=CC1CC1 1458a_100102529529_100000189650 [0,0,0,1,0,1|1,0,1]=4 8883 B13R1.1048 CC(=O)NCCC(=O)CCC1CC1 1458a_100000183196_100000694398 [0,0,0,1,0,1|1,0,0]=3 8884 B13R1.1048 CC(=O)NCCC(=O)CCC1CC1 1458a_100000756386_100000189650 [0,0,0,1,0,1|1,0,0]=3 8885 B13R1.1048 CC(=O)NCCC(=O)CCC1CO1 1458a_100000183196_100000732470 [0,0,0,1,0,1|2,0,0]=4 8886 B13R1.1048 CC(=O)NCCC(=O)NCC1CC1 11a_100000735609_100000183196 [0,0,0,1,0,1|1,0,0]=3 8887 B13R1.1048 CC(=O)NCCC(=O)NCC1CC1 1626a_100000735609_100000183196 [0,0,0,1,0,1|1,0,0]=3 8888 B13R1.1048 CC(=O)NCCC(=O)NCC1CC1 240690a_100000735609_100000183196 [0,0,0,1,0,1|1,0,0]=3 8889 B13R1.1048 CC(=O)NCCC(=O)NCC1CC1 527a_100000735609_100000183196 [0,0,0,1,0,1|1,0,0]=3 8890 B13R1.1048 CC(=O)NCCC(=O)NNC1CC1 22a_100000701032_100000183196 [0,0,0,1,0,1|2,0,0]=4 8891 B13R1.1048 CC(=O)OCCC(=O)C=CC1CC1 1458a_100102529529_100009814007 [0,0,0,1,0,1|1,0,1]=4 8892 B13R1.1048 CC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_100009814007 [0,0,0,1,0,1|1,0,0]=3 8893 B13R1.1048 CC(=O)SCCC(=O)CCC1CC1 1458a_100000048949_100000694398 [0,0,0,1,0,1|1,0,0]=3 8894 B13R1.1048 CC(=O)SCCC(=O)CCC1CO1 1458a_100000048949_100000732470 [0,0,0,1,0,1|2,0,0]=4 8895 B13R1.1048 CC(=O)SCCC(=O)NCC1CC1 1626a_100000735609_100000048949 [0,0,0,1,0,1|1,0,0]=3 8896 B13R1.1048 CC(=O)SCCC(=O)NCC1CC1 240690a_100000735609_100000048949 [0,0,0,1,0,1|1,0,0]=3 8897 B13R1.1048 NC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100102525003 [0,0,0,1,0,1|2,0,0]=4 8898 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 11a_100000740010_100000756386 [0,0,0,1,0,1|2,0,0]=4 8899 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 240690a_100000740010_100000756386 [0,0,0,1,0,1|2,0,0]=4 8900 B13R1.1048 NC(=O)CCNC(=O)CCC1CC1 527a_100000740010_100000756386 [0,0,0,1,0,1|2,0,0]=4 8901 B13R1.1048 NC(=O)CCNC(=O)NCC1CC1 2708a_100000735609_100000740010 [0,0,0,1,0,1|2,0,0]=4 8902 B13R1.1048 NC(=O)CCNC(=O)NCC1CC1 273464a_100000735609_100000740010 [0,0,0,1,0,1|2,0,0]=4 8903 B13R1.1048 NC(=O)CCNC(=O)NCC1CC1 273464a_100000740010_100000735609 [0,0,0,1,0,1|2,0,0]=4 8904 B13R1.1048 NC(=O)CCNC(=O)NCC1CC1 512a_100000735609_100000740010 [0,0,0,1,0,1|2,0,0]=4 8905 B13R1.1048 NC(=O)COCC(=O)CCC1CC1 1458a_100011219004_100000694398 [0,0,0,1,0,1|2,0,0]=4 8906 B13R1.1048 NC(=O)COCC(=O)NCC1CC1 1626a_100000735609_100011219004 [0,0,0,1,0,1|2,0,0]=4 8907 B13R1.1048 NC(=O)COCC(=O)NCC1CC1 240690a_100000735609_100011219004 [0,0,0,1,0,1|2,0,0]=4 8908 B13R1.1048 NC(=O)COCC(=O)NCC1CC1 527a_100000735609_100011219004 [0,0,0,1,0,1|2,0,0]=4 8909 B13R1.1048 NC(=O)CSCC(=O)NCC1CC1 11a_100000735609_100000150265 [0,0,0,1,0,1|2,0,0]=4 8910 B13R1.1048 NC(=O)CSCC(=O)NCC1CC1 240690a_100000735609_100000150265 [0,0,0,1,0,1|2,0,0]=4 8911 B13R1.1048 NC(=O)CSCC(=O)NCC1CC1 527a_100000735609_100000150265 [0,0,0,1,0,1|2,0,0]=4 8912 B13R1.1048 NC(=O)NCCC(=O)CCC1CC1 1458a_100000181464_100000694398 [0,0,0,1,0,1|2,0,0]=4 8913 B13R1.1048 NC(=O)NCCC(=O)CCC1CC1 1458a_100000756386_200000034859 [0,0,0,1,0,1|2,0,0]=4 8914 B13R1.1048 NC(=O)NCCC(=O)NCC1CC1 240690a_100000735609_100000181464 [0,0,0,1,0,1|2,0,0]=4 8915 B13R1.1048 NC(=O)NCCC(=O)NCC1CC1 527a_100000735609_100000181464 [0,0,0,1,0,1|2,0,0]=4 8916 B13R1.1048 NC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_200011214921 [0,0,0,1,0,1|2,0,0]=4 8917 B13R1.2294 CCC1CC1C(=O)CCC=C(C)C 1458a_200011661523_100011217483 [0,0,0,1,0,1|2,0,0]=4 8918 B13R1.2294 CCC1CC1C(=O)CCCC(=O)C 1458a_200011661523_100011215641 [0,0,0,1,0,1|1,0,0]=3 8919 B13R1.2294 CCC1CC1C(=O)CCCC(=O)N 1458a_200011661523_100102525003 [0,0,0,1,0,1|2,0,0]=4 8920 B13R1.2294 CCC1CC1C(=O)CCNC(=O)C 1458a_200011661523_100000189650 [0,0,0,1,0,1|1,0,0]=3 8921 B13R1.2294 CCC1CC1C(=O)CCNC(=O)N 1458a_200011661523_200000034859 [0,0,0,1,0,1|2,0,0]=4 8922 B13R1.2294 CCC1CC1C(=O)CCOC(=O)C 1458a_200011661523_100009814007 [0,0,0,1,0,1|1,0,0]=3 8923 B13R1.2294 CCC1CC1C(=O)CCOC(=O)N 1458a_200011661523_200011214921 [0,0,0,1,0,1|2,0,0]=4 8924 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 11a_100000740010_200011661523 [0,0,0,1,0,1|2,0,0]=4 8925 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 240690a_100000740010_200011661523 [0,0,0,1,0,1|2,0,0]=4 8926 B13R1.2294 CCC1CC1C(=O)NCCC(=O)N 527a_100000740010_200011661523 [0,0,0,1,0,1|2,0,0]=4 8927 B13R1.3537 CCCCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211628 [0,0,0,1,0,1|1,0,1]=4 8928 B13R1.3537 CCCCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000211628 [0,0,0,1,0,1|1,0,1]=4 8929 B13R1.3537 CCCCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000211628 [0,0,0,1,0,1|1,0,1]=4 8930 B13R1.3699 CC(=O)NCCC(=O)N1CCC1C 11a_100000755817_100000183196 [0,0,0,1,0,1|1,0,0]=3 8931 B13R1.3699 CC(=O)NCCC(=O)N1CCC1C 240690a_100000755817_100000183196 [0,0,0,1,0,1|1,0,0]=3 8932 B13R1.3699 CC(=O)NCCC(=O)N1CCC1C 527a_100000755817_100000183196 [0,0,0,1,0,1|1,0,0]=3 8933 B13R1.3699 CC(=O)SCCC(=O)N1CCC1C 240690a_100000755817_100000048949 [0,0,0,1,0,1|1,0,0]=3 8934 B13R1.3699 CC1CCN1C(=O)CCNC(=O)N 240690a_100000755817_100000181464 [0,0,0,1,0,1|2,0,0]=4 8935 B13R1.3699 CC1CCN1C(=O)CCNC(=O)N 527a_100000755817_100000181464 [0,0,0,1,0,1|2,0,0]=4 8936 B13R1.3699 CC1CCN1C(=O)COCC(=O)N 240690a_100000755817_100011219004 [0,0,0,1,0,1|2,0,0]=4 8937 B13R1.3699 CC1CCN1C(=O)COCC(=O)N 527a_100000755817_100011219004 [0,0,0,1,0,1|2,0,0]=4 8938 B13R1.3699 CC1CCN1C(=O)CSCC(=O)N 11a_100000755817_100000150265 [0,0,0,1,0,1|2,0,0]=4 8939 B13R1.3699 CC1CCN1C(=O)CSCC(=O)N 240690a_100000755817_100000150265 [0,0,0,1,0,1|2,0,0]=4 8940 B13R1.3699 CC1CCN1C(=O)CSCC(=O)N 527a_100000755817_100000150265 [0,0,0,1,0,1|2,0,0]=4 8941 B13R1.3699 CC1CCN1C(=O)NCCC(=O)N 273464a_100000740010_100000755817 [0,0,0,1,0,1|2,0,0]=4 8942 B13R1.3731 CC(=O)NCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000183196 [0,0,0,1,0,1|2,0,0]=4 8943 B13R1.3731 CC(=O)NCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000183196 [0,0,0,1,0,1|2,0,0]=4 8944 B13R1.3731 CC(=O)NCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000183196 [0,0,0,1,0,1|2,0,0]=4 8945 B13R1.3731 CC(=O)NCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000183196 [0,0,0,1,0,1|2,0,0]=4 8946 B13R1.3731 CC(=O)NCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000183196 [0,0,0,1,0,1|2,0,0]=4 8947 B13R1.3731 CC(=O)NCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000183196 [0,0,0,1,0,1|2,0,0]=4 8948 B13R1.3731 CC(=O)SCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000048949 [0,0,0,1,0,1|2,0,0]=4 8949 B13R1.3731 CC(=O)SCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000048949 [0,0,0,1,0,1|2,0,0]=4 8950 B13R1.3731 CC(=O)SCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000048949 [0,0,0,1,0,1|2,0,0]=4 8951 B13R1.129 C=C(C)CCC(=O)C1CCC(C1)O 1458a_100000688591_100000730704 [0,1,0,1,0,0|2,0,0]=4 8952 B13R1.129 C=C(C)CCC(=O)N1CCC(C1)O 240690a_100011215560_200000688413 [0,1,0,1,0,0|2,0,0]=4 8953 B13R1.129 C=C(C)CCC(=O)N1CCC(C1)O 527a_100011215560_200000688413 [0,1,0,1,0,0|2,0,0]=4 8954 B13R1.129 C=C(C)CCC(=O)N1CC[C@@H](C1)F 11a_100015203821_200000688413 [0,1,0,1,0,0|2,0,0]=4 8955 B13R1.129 C=C(C)CCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_200000688413 [0,1,0,1,0,0|2,0,0]=4 8956 B13R1.129 C=C(C)CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_200000688413 [0,1,0,1,0,0|2,0,0]=4 8957 B13R1.129 C=C(C)CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_200000688413 [0,1,0,1,0,0|2,0,0]=4 8958 B13R1.129 C=C(C)CCC(=O)N1CC[C@H](C1)C 11a_100016987628_200000688413 [0,1,0,1,0,0|2,0,0]=4 8959 B13R1.129 C=C(C)CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_200000688413 [0,1,0,1,0,0|2,0,0]=4 8960 B13R1.129 C=C(C)CCC(=O)N1CC[C@H](C1)C 527a_100016987628_200000688413 [0,1,0,1,0,0|2,0,0]=4 8961 B13R1.129 CC(=O)NCC(=O)N1CCC(C1)O 240690a_100011215560_100000194580 [0,1,0,1,0,0|2,0,0]=4 8962 B13R1.129 CC(=O)NCC(=O)N1CCC(C1)O 527a_100011215560_100000194580 [0,1,0,1,0,0|2,0,0]=4 8963 B13R1.129 CC(=O)NCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000194580 [0,1,0,1,0,0|2,0,0]=4 8964 B13R1.129 CC(=O)NCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000194580 [0,1,0,1,0,0|2,0,0]=4 8965 B13R1.129 CC(=O)NCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000194580 [0,1,0,1,0,0|2,0,0]=4 8966 B13R1.129 CC(=O)NCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000194580 [0,1,0,1,0,0|2,0,0]=4 8967 B13R1.129 CC(=O)NCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000194580 [0,1,0,1,0,0|2,0,0]=4 8968 B13R1.129 CC(=O)NCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000194580 [0,1,0,1,0,0|2,0,0]=4 8969 B13R1.129 CC(=O)NCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000194580 [0,1,0,1,0,0|2,0,0]=4 8970 B13R1.129 CC(=O)OCC(=O)N1CCC(C1)O 240690a_100011215560_100000183556 [0,1,0,1,0,0|2,0,0]=4 8971 B13R1.129 CC(=O)OCC(=O)N1CCC(C1)O 527a_100011215560_100000183556 [0,1,0,1,0,0|2,0,0]=4 8972 B13R1.129 CC(=O)OCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000183556 [0,1,0,1,0,0|2,0,0]=4 8973 B13R1.129 CC(=O)OCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000183556 [0,1,0,1,0,0|2,0,0]=4 8974 B13R1.129 CC(=O)OCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000183556 [0,1,0,1,0,0|2,0,0]=4 8975 B13R1.129 CC(=O)OCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000183556 [0,1,0,1,0,0|2,0,0]=4 8976 B13R1.129 CC(=O)OCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000183556 [0,1,0,1,0,0|2,0,0]=4 8977 B13R1.129 CC(=O)SCC(=O)N1CCC(C1)O 240690a_100011215560_100000049016 [0,1,0,1,0,0|2,0,0]=4 8978 B13R1.129 CC(=O)SCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000049016 [0,1,0,1,0,0|2,0,0]=4 8979 B13R1.129 CC(=O)SCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000049016 [0,1,0,1,0,0|2,0,0]=4 8980 B13R1.129 CC(=O)SCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000049016 [0,1,0,1,0,0|2,0,0]=4 8981 B13R1.129 CC(=O)SCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000049016 [0,1,0,1,0,0|2,0,0]=4 8982 B13R1.129 CC(=O)SCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000049016 [0,1,0,1,0,0|2,0,0]=4 8983 B13R1.129 C[C@@H]1CCN(C1)C(=O)CCC(=O)N 240690a_100016987628_100011215257 [0,1,0,1,0,0|2,0,0]=4 8984 B13R1.129 C[C@@H]1CCN(C1)C(=O)CCC(=O)N 527a_100016987628_100011215257 [0,1,0,1,0,0|2,0,0]=4 8985 B13R1.129 NC(=O)CCC(=O)N1CCC(C1)O 240690a_100011215560_100011215257 [0,1,0,1,0,0|2,0,0]=4 8986 B13R1.129 NC(=O)CCC(=O)N1CCC(C1)O 527a_100011215560_100011215257 [0,1,0,1,0,0|2,0,0]=4 8987 B13R1.129 NC(=O)CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100011215257 [0,1,0,1,0,0|2,0,0]=4 8988 B13R1.129 NC(=O)CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100011215257 [0,1,0,1,0,0|2,0,0]=4 8989 B13R1.293 C=C(C)CCC(=O)NC1CC(C1)F 11a_100016993743_200000688413 [0,1,0,1,0,0|2,0,0]=4 8990 B13R1.293 C=C(C)CCC(=O)NC1CC(C1)F 1626a_100016993743_200000688413 [0,1,0,1,0,0|2,0,0]=4 8991 B13R1.293 C=C(C)CCC(=O)NC1CC(C1)F 240690a_100016993743_200000688413 [0,1,0,1,0,0|2,0,0]=4 8992 B13R1.293 C=C(C)CCC(=O)NC1CC(C1)F 527a_100016993743_200000688413 [0,1,0,1,0,0|2,0,0]=4 8993 B13R1.293 C=C(C)CCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_200000688413 [0,1,0,1,0,0|2,0,0]=4 8994 B13R1.293 C=C(C)CCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_200000688413 [0,1,0,1,0,0|2,0,0]=4 8995 B13R1.293 C=C(C)CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_200000688413 [0,1,0,1,0,0|2,0,0]=4 8996 B13R1.293 C=C(C)CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_200000688413 [0,1,0,1,0,0|2,0,0]=4 8997 B13R1.293 CC(=O)NCC(=O)NC1CC(C1)F 11a_100016993743_100000194580 [0,1,0,1,0,0|2,0,0]=4 8998 B13R1.293 CC(=O)NCC(=O)NC1CC(C1)F 1626a_100016993743_100000194580 [0,1,0,1,0,0|2,0,0]=4 8999 B13R1.293 CC(=O)NCC(=O)NC1CC(C1)F 240690a_100016993743_100000194580 [0,1,0,1,0,0|2,0,0]=4 9000 B13R1.293 CC(=O)NCC(=O)NC1CC(C1)F 527a_100016993743_100000194580 [0,1,0,1,0,0|2,0,0]=4 9001 B13R1.293 CC(=O)NCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000194580 [0,1,0,1,0,0|2,0,0]=4 9002 B13R1.293 CC(=O)NCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000194580 [0,1,0,1,0,0|2,0,0]=4 9003 B13R1.293 CC(=O)NCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000194580 [0,1,0,1,0,0|2,0,0]=4 9004 B13R1.293 CC(=O)NCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000194580 [0,1,0,1,0,0|2,0,0]=4 9005 B13R1.293 CC(=O)OCC(=O)NC1CC(C1)F 1626a_100016993743_100000183556 [0,1,0,1,0,0|2,0,0]=4 9006 B13R1.293 CC(=O)OCC(=O)NC1CC(C1)F 240690a_100016993743_100000183556 [0,1,0,1,0,0|2,0,0]=4 9007 B13R1.293 CC(=O)OCC(=O)NC1CC(C1)F 527a_100016993743_100000183556 [0,1,0,1,0,0|2,0,0]=4 9008 B13R1.293 CC(=O)OCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000183556 [0,1,0,1,0,0|2,0,0]=4 9009 B13R1.293 CC(=O)OCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000183556 [0,1,0,1,0,0|2,0,0]=4 9010 B13R1.293 CC(=O)OCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000183556 [0,1,0,1,0,0|2,0,0]=4 9011 B13R1.293 CC(=O)SCC(=O)NC1CC(C1)F 11a_100016993743_100000049016 [0,1,0,1,0,0|2,0,0]=4 9012 B13R1.293 CC(=O)SCC(=O)NC1CC(C1)F 1626a_100016993743_100000049016 [0,1,0,1,0,0|2,0,0]=4 9013 B13R1.293 CC(=O)SCC(=O)NC1CC(C1)F 240690a_100016993743_100000049016 [0,1,0,1,0,0|2,0,0]=4 9014 B13R1.293 CC(=O)SCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000049016 [0,1,0,1,0,0|2,0,0]=4 9015 B13R1.293 CC(=O)SCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000049016 [0,1,0,1,0,0|2,0,0]=4 9016 B13R1.293 CC(=O)SCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000049016 [0,1,0,1,0,0|2,0,0]=4 9017 B13R1.293 NC(=O)CCC(=O)NC1CC(C1)F 240690a_100016993743_100011215257 [0,1,0,1,0,0|2,0,0]=4 9018 B13R1.293 NC(=O)CCC(=O)NC1CC(C1)F 527a_100016993743_100011215257 [0,1,0,1,0,0|2,0,0]=4 9019 B13R1.293 NC(=O)CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100011215257 [0,1,0,1,0,0|2,0,0]=4 9020 B13R1.293 NC(=O)CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100011215257 [0,1,0,1,0,0|2,0,0]=4 9021 B13R1.513 CC(C)CCOC1CCC(=O)CC1 34a_100000764474_100000210312 [0,1,0,1,0,0|1,0,1]=4 9022 B13R1.513 CC(C)CCOC1CCC(=O)CC1 7a_100000764474_100000210626 [0,1,0,1,0,0|1,0,1]=4 9023 B13R1.513 CC(O)CCOC1CCC(=O)CC1 34a_100000764474_100012276601 [0,1,0,1,0,0|1,0,1]=4 9024 B13R1.513 CC(O)CCOC1CCC(=O)CC1 7a_100000764474_100012276601 [0,1,0,1,0,0|1,0,1]=4 9025 B13R1.1055 C=C(C)CCC(=O)CCCC1CO1 1458a_200000688413_100000733510 [0,1,0,1,0,0|2,0,0]=4 9026 B13R1.1055 C=C(C)CCC(=O)CSCC1CC1 1458a_200011316215_100000730704 [0,1,0,1,0,0|1,1,0]=4 9027 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 1626a_100000764129_200000688413 [0,1,0,1,0,0|2,0,0]=4 9028 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 240690a_100000764129_200000688413 [0,1,0,1,0,0|2,0,0]=4 9029 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 527a_100000764129_200000688413 [0,1,0,1,0,0|2,0,0]=4 9030 B13R1.1055 C=C(C)CCC(=O)NNCC1CC1 22a_100000736359_200000688413 [0,1,0,1,0,0|2,0,0]=4 9031 B13R1.1055 CC(=O)NCC(=O)CCCC1CO1 1458a_100000194580_100000733510 [0,1,0,1,0,0|2,0,0]=4 9032 B13R1.1055 CC(=O)NCC(=O)NCCC1CC1 1626a_100000764129_100000194580 [0,1,0,1,0,0|2,0,0]=4 9033 B13R1.1055 CC(=O)NCC(=O)NCCC1CC1 240690a_100000764129_100000194580 [0,1,0,1,0,0|2,0,0]=4 9034 B13R1.1055 CC(=O)NCC(=O)NCCC1CC1 527a_100000764129_100000194580 [0,1,0,1,0,0|2,0,0]=4 9035 B13R1.1055 CC(=O)NCC(=O)NNCC1CC1 22a_100000736359_100000194580 [0,1,0,1,0,0|2,0,0]=4 9036 B13R1.1055 CC(=O)OCC(=O)CCCC1CO1 1458a_100000183556_100000733510 [0,1,0,1,0,0|2,0,0]=4 9037 B13R1.1055 CC(=O)OCC(=O)CNCC1CC1 34a_100000735609_100000036994 [0,1,0,1,0,0|2,0,0]=4 9038 B13R1.1055 CC(=O)OCC(=O)COCC1CC1 34a_100000211283_100000036994 [0,1,0,1,0,0|1,0,0]=3 9039 B13R1.1055 CC(=O)OCC(=O)COC[C@@H]1CO1 34a_100000757423_100000036994 [0,1,0,1,0,0|2,0,0]=4 9040 B13R1.1055 CC(=O)OCC(=O)CSCC1CC1 62a_100000036994_100000742324 [0,1,0,1,0,0|1,1,0]=4 9041 B13R1.1055 CC(=O)OCC(=O)CSCC1CC1 62a_100000756562_100000036994 [0,1,0,1,0,0|1,1,0]=4 9042 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 1626a_100000764129_100000183556 [0,1,0,1,0,0|2,0,0]=4 9043 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 240690a_100000764129_100000183556 [0,1,0,1,0,0|2,0,0]=4 9044 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 527a_100000764129_100000183556 [0,1,0,1,0,0|2,0,0]=4 9045 B13R1.1055 CC(=O)OCC(=O)NNCC1CC1 22a_100000736359_100000183556 [0,1,0,1,0,0|2,0,0]=4 9046 B13R1.1055 CC(=O)SCC(=O)CCCC1CO1 1458a_100000049016_100000733510 [0,1,0,1,0,0|2,0,0]=4 9047 B13R1.1055 CC(=O)SCC(=O)NCCC1CC1 1626a_100000764129_100000049016 [0,1,0,1,0,0|2,0,0]=4 9048 B13R1.1055 CC(=O)SCC(=O)NCCC1CC1 240690a_100000764129_100000049016 [0,1,0,1,0,0|2,0,0]=4 9049 B13R1.1055 NC(=O)CCC(=O)CCCC1CO1 1458a_100011215257_100000733510 [0,1,0,1,0,0|2,0,0]=4 9050 B13R1.1055 NC(=O)CCC(=O)NCCC1CC1 240690a_100000764129_100011215257 [0,1,0,1,0,0|2,0,0]=4 9051 B13R1.1055 NC(=O)CCC(=O)NCCC1CC1 527a_100000764129_100011215257 [0,1,0,1,0,0|2,0,0]=4 9052 B13R1.1055 NC(=O)CCC(=O)NNCC1CC1 22a_100000736359_100011215257 [0,1,0,1,0,0|2,0,0]=4 9053 B13R1.3835 C=C1CC(C1)C(=O)CCCC(C)C 1458a_100000065620_100011214892 [0,1,0,1,0,0|2,0,0]=4 9054 B13R1.3835 C=C1CC(C1)C(=O)CCCC(C)O 1458a_100000065620_200000718107 [0,1,0,1,0,0|2,0,0]=4 9055 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)C 11a_100000210545_100000065620 [0,1,0,1,0,0|2,0,0]=4 9056 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)C 1626a_100000210545_100000065620 [0,1,0,1,0,0|2,0,0]=4 9057 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)C 240690a_100000210545_100000065620 [0,1,0,1,0,0|2,0,0]=4 9058 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)C 527a_100000210545_100000065620 [0,1,0,1,0,0|2,0,0]=4 9059 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)O 240690a_200000755665_100000065620 [0,1,0,1,0,0|2,0,0]=4 9060 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)O 527a_200000755665_100000065620 [0,1,0,1,0,0|2,0,0]=4 9061 B13R1.3835 CC(C)CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011214892 [0,1,0,1,0,0|2,0,0]=4 9062 B13R1.3835 CC(C)CCNC(=O)[C@@H]1CC(=O)N1 527a_100000210545_100016090685 [0,1,0,1,0,0|2,0,0]=4 9063 B13R1.3835 CC(O)CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000718107 [0,1,0,1,0,0|2,0,0]=4 9064 B13R1.3835 CC(O)CCNC(=O)[C@@H]1CC(=O)N1 527a_200000755665_100016090685 [0,1,0,1,0,0|2,0,0]=4 9065 B13R1.45 C=C(C)CCC(=O)C1=CCCCC1 1458a_100000765259_100000730704 [0,1,0,1,0,0|2,0,0]=4 9066 B13R1.45 C=C(C)CCC(=O)C1=CCCCO1 1458a_100000764163_100000730704 [0,1,0,1,0,0|1,0,1]=4 9067 B13R1.45 C=C(C)CCC(=O)C1CCCCC1 1458a_100000210647_100000730704 [0,1,0,1,0,0|2,0,0]=4 9068 B13R1.45 C=C(C)CCC(=O)C1CCCCC1 1458a_200000688413_100000210327 [0,1,0,1,0,0|2,0,0]=4 9069 B13R1.45 C=C(C)CCC(=O)C1CCCCO1 1458a_100000748299_100000730704 [0,1,0,1,0,0|1,0,0]=3 9070 B13R1.45 C=C(C)CCC(=O)C1CCCOC1 1458a_100000741522_100000730704 [0,1,0,1,0,0|2,0,0]=4 9071 B13R1.45 C=C(C)CCC(=O)C1CCCOC1 1458a_200000688413_100000693364 [0,1,0,1,0,0|2,0,0]=4 9072 B13R1.45 C=C(C)CCC(=O)C1CCOCC1 1458a_100000195482_100000730704 [0,1,0,1,0,0|2,0,0]=4 9073 B13R1.45 C=C(C)CCC(=O)C1CCOCC1 1458a_200000688413_100011324220 [0,1,0,1,0,0|2,0,0]=4 9074 B13R1.45 C=C(C)CCC(=O)C1CCSCC1 1458a_100000755232_100000730704 [0,1,0,1,0,0|2,0,0]=4 9075 B13R1.45 C=C(C)CCC(=O)C1COCCO1 1458a_100000045528_100000730704 [0,1,0,1,0,0|2,0,0]=4 9076 B13R1.45 C=C(C)CCC(=O)N1CCCOC1 11a_100000131196_200000688413 [0,1,0,1,0,0|2,0,0]=4 9077 B13R1.45 C=C(C)CCC(=O)N1CCCOC1 240690a_100000131196_200000688413 [0,1,0,1,0,0|2,0,0]=4 9078 B13R1.45 C=C(C)CCC(=O)N1CCOCC1 11a_100015191051_200000688413 [0,1,0,1,0,0|2,0,0]=4 9079 B13R1.45 C=C(C)CCC(=O)N1CCOCC1 1626a_100015191051_200000688413 [0,1,0,1,0,0|2,0,0]=4 9080 B13R1.45 C=C(C)CCC(=O)N1CCOCC1 240690a_100015191051_200000688413 [0,1,0,1,0,0|2,0,0]=4 9081 B13R1.45 C=C(C)CCC(=O)N1CCOCC1 527a_100015191051_200000688413 [0,1,0,1,0,0|2,0,0]=4 9082 B13R1.45 C=C(C)CCC(=O)N1CCSCC1 11a_100000737611_200000688413 [0,1,0,1,0,0|2,0,0]=4 9083 B13R1.45 C=C(C)CCC(=O)N1CCSCC1 240690a_100000737611_200000688413 [0,1,0,1,0,0|2,0,0]=4 9084 B13R1.45 C=C(C)CCC(=O)N1CCSCC1 527a_100000737611_200000688413 [0,1,0,1,0,0|2,0,0]=4 9085 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 11a_100000765925_100000748299 [0,1,0,1,0,0|2,0,0]=4 9086 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 1626a_100000765925_100000748299 [0,1,0,1,0,0|2,0,0]=4 9087 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 240690a_100000765925_100000748299 [0,1,0,1,0,0|2,0,0]=4 9088 B13R1.45 C=C(C)CNC(=O)C1CCCCO1 527a_100000765925_100000748299 [0,1,0,1,0,0|2,0,0]=4 9089 B13R1.45 CC(=CCC(=O)C1CCCCO1)C 1458a_100000748299_100000761012 [0,1,0,1,0,0|1,0,1]=4 9090 B13R1.45 CC(=O)CCC(=O)N1CCCCC1 1458a_100000070787_100102558178 [0,1,0,1,0,0|1,0,0]=3 9091 B13R1.45 CC(=O)CCC(=O)N1CCCCC1 1458a_200000243808_200000210301 [0,1,0,1,0,0|1,0,0]=3 9092 B13R1.45 CC(=O)CCC(=O)N1CCOCC1 1458a_100000070787_100000739706 [0,1,0,1,0,0|1,0,0]=3 9093 B13R1.45 CC(=O)CCC(=O)N1CCOCC1 1458a_100000183577_200000210301 [0,1,0,1,0,0|1,0,0]=3 9094 B13R1.45 CC(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200000210301 [0,1,0,1,0,0|2,0,0]=4 9095 B13R1.45 CC(=O)CNC(=O)C1CCOCC1 1458a_200000754379_200000210301 [0,1,0,1,0,0|2,0,0]=4 9096 B13R1.45 CC(=O)COC(=O)C1CCCCC1 1458a_100000070787_100009893799 [0,1,0,1,0,0|2,0,0]=4 9097 B13R1.45 CC(=O)COC(=O)N1CCOCC1 1458a_100000070787_100009898760 [0,1,0,1,0,0|2,0,0]=4 9098 B13R1.45 CC(=O)NCC(=O)C1CCCCC1 1458a_100000194580_100000210327 [0,1,0,1,0,0|2,0,0]=4 9099 B13R1.45 CC(=O)NCC(=O)C1CCCOC1 1458a_100000194580_100000693364 [0,1,0,1,0,0|2,0,0]=4 9100 B13R1.45 CC(=O)NCC(=O)C1CCOCC1 1458a_100000194580_100011324220 [0,1,0,1,0,0|2,0,0]=4 9101 B13R1.45 CC(=O)NCC(=O)N1CCCCC1 11a_100000751303_100015343762 [0,1,0,1,0,0|2,0,0]=4 9102 B13R1.45 CC(=O)NCC(=O)N1CCCCC1 1626a_100000751303_100015343762 [0,1,0,1,0,0|2,0,0]=4 9103 B13R1.45 CC(=O)NCC(=O)N1CCCCC1 240690a_100000751303_100015343762 [0,1,0,1,0,0|2,0,0]=4 9104 B13R1.45 CC(=O)NCC(=O)N1CCCCC1 527a_100000751303_100103153847 [0,1,0,1,0,0|2,0,0]=4 9105 B13R1.45 CC(=O)NCC(=O)N1CCCOC1 11a_100000131196_100000194580 [0,1,0,1,0,0|2,0,0]=4 9106 B13R1.45 CC(=O)NCC(=O)N1CCCOC1 240690a_100000131196_100000194580 [0,1,0,1,0,0|2,0,0]=4 9107 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 11a_100000697423_100015343762 [0,1,0,1,0,0|2,0,0]=4 9108 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 11a_100015191051_100000194580 [0,1,0,1,0,0|2,0,0]=4 9109 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 1626a_100000697423_100015343762 [0,1,0,1,0,0|2,0,0]=4 9110 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 1626a_100015191051_100000194580 [0,1,0,1,0,0|2,0,0]=4 9111 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 240690a_100000697423_100015343762 [0,1,0,1,0,0|2,0,0]=4 9112 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 240690a_100015191051_100000194580 [0,1,0,1,0,0|2,0,0]=4 9113 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 527a_100000697423_100103153847 [0,1,0,1,0,0|2,0,0]=4 9114 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 527a_100015191051_100000194580 [0,1,0,1,0,0|2,0,0]=4 9115 B13R1.45 CC(=O)NCC(=O)N1CCSCC1 11a_100000737611_100000194580 [0,1,0,1,0,0|2,0,0]=4 9116 B13R1.45 CC(=O)NCC(=O)N1CCSCC1 240690a_100000737611_100000194580 [0,1,0,1,0,0|2,0,0]=4 9117 B13R1.45 CC(=O)NCC(=O)N1CCSCC1 527a_100000737611_100000194580 [0,1,0,1,0,0|2,0,0]=4 9118 B13R1.45 CC(=O)NNC(=O)C1CCCCO1 22a_100000189765_100000748299 [0,1,0,1,0,0|2,0,0]=4 9119 B13R1.45 CC(=O)OCC(=O)C1CCCCC1 1458a_100000183556_100000210327 [0,1,0,1,0,0|2,0,0]=4 9120 B13R1.45 CC(=O)OCC(=O)C1CCCOC1 1458a_100000183556_100000693364 [0,1,0,1,0,0|2,0,0]=4 9121 B13R1.45 CC(=O)OCC(=O)C1CCOCC1 1458a_100000183556_100011324220 [0,1,0,1,0,0|2,0,0]=4 9122 B13R1.45 CC(=O)OCC(=O)N1CCCOC1 240690a_100000131196_100000183556 [0,1,0,1,0,0|2,0,0]=4 9123 B13R1.45 CC(=O)OCC(=O)N1CCOCC1 1626a_100015191051_100000183556 [0,1,0,1,0,0|2,0,0]=4 9124 B13R1.45 CC(=O)OCC(=O)N1CCOCC1 240690a_100015191051_100000183556 [0,1,0,1,0,0|2,0,0]=4 9125 B13R1.45 CC(=O)OCC(=O)N1CCOCC1 527a_100015191051_100000183556 [0,1,0,1,0,0|2,0,0]=4 9126 B13R1.45 CC(=O)OCC(=O)N1CCSCC1 240690a_100000737611_100000183556 [0,1,0,1,0,0|2,0,0]=4 9127 B13R1.45 CC(=O)OCC(=O)N1CCSCC1 527a_100000737611_100000183556 [0,1,0,1,0,0|2,0,0]=4 9128 B13R1.45 CC(=O)SCC(=O)C1CCCCC1 1458a_100000049016_100000210327 [0,1,0,1,0,0|2,0,0]=4 9129 B13R1.45 CC(=O)SCC(=O)C1CCCOC1 1458a_100000049016_100000693364 [0,1,0,1,0,0|2,0,0]=4 9130 B13R1.45 CC(=O)SCC(=O)C1CCOCC1 1458a_100000049016_100011324220 [0,1,0,1,0,0|2,0,0]=4 9131 B13R1.45 CC(=O)SCC(=O)N1CCCOC1 11a_100000131196_100000049016 [0,1,0,1,0,0|2,0,0]=4 9132 B13R1.45 CC(=O)SCC(=O)N1CCCOC1 240690a_100000131196_100000049016 [0,1,0,1,0,0|2,0,0]=4 9133 B13R1.45 CC(=O)SCC(=O)N1CCOCC1 11a_100015191051_100000049016 [0,1,0,1,0,0|2,0,0]=4 9134 B13R1.45 CC(=O)SCC(=O)N1CCOCC1 1626a_100015191051_100000049016 [0,1,0,1,0,0|2,0,0]=4 9135 B13R1.45 CC(=O)SCC(=O)N1CCOCC1 240690a_100015191051_100000049016 [0,1,0,1,0,0|2,0,0]=4 9136 B13R1.45 CC(=O)SCC(=O)N1CCSCC1 11a_100000737611_100000049016 [0,1,0,1,0,0|2,0,0]=4 9137 B13R1.45 CC(=O)SCC(=O)N1CCSCC1 240690a_100000737611_100000049016 [0,1,0,1,0,0|2,0,0]=4 9138 B13R1.45 CC(C)CCC(=O)C1CCCCO1 1458a_100000748299_100000210312 [0,1,0,1,0,0|1,0,1]=4 9139 B13R1.45 CC(O)CCC(=O)C1CCCCO1 1458a_100000748299_100012276601 [0,1,0,1,0,0|0,0,2]=4 9140 B13R1.45 NC(=O)CCC(=O)C1CCCCC1 1458a_100011215257_100000210327 [0,1,0,1,0,0|2,0,0]=4 9141 B13R1.45 NC(=O)CCC(=O)C1CCCOC1 1458a_100011215257_100000693364 [0,1,0,1,0,0|2,0,0]=4 9142 B13R1.45 NC(=O)CCC(=O)C1CCOCC1 1458a_100011215257_100011324220 [0,1,0,1,0,0|2,0,0]=4 9143 B13R1.45 NC(=O)CCC(=O)N1CCCOC1 240690a_100000131196_100011215257 [0,1,0,1,0,0|2,0,0]=4 9144 B13R1.45 NC(=O)CCC(=O)N1CCOCC1 240690a_100015191051_100011215257 [0,1,0,1,0,0|2,0,0]=4 9145 B13R1.45 NC(=O)CCC(=O)N1CCOCC1 527a_100015191051_100011215257 [0,1,0,1,0,0|2,0,0]=4 9146 B13R1.45 NC(=O)CCC(=O)N1CCSCC1 240690a_100000737611_100011215257 [0,1,0,1,0,0|2,0,0]=4 9147 B13R1.45 NC(=O)CCC(=O)N1CCSCC1 527a_100000737611_100011215257 [0,1,0,1,0,0|2,0,0]=4 9148 B13R1.45 NC(=O)CNC(=O)C1CCCCO1 11a_100000711301_100000748299 [0,1,0,1,0,0|2,0,0]=4 9149 B13R1.45 NC(=O)CNC(=O)C1CCCCO1 240690a_100000711301_100000748299 [0,1,0,1,0,0|2,0,0]=4 9150 B13R1.45 NC(=O)CNC(=O)C1CCCCO1 527a_100000711301_100000748299 [0,1,0,1,0,0|2,0,0]=4 9151 B13R1.45 [13CH3]C(=O)CCC(=O)N1CCCCC1 1458a_200000243808_200025704644 [0,1,0,1,0,0|1,0,0]=3 9152 B13R1.45 [13CH3]C(=O)CCC(=O)N1CCOCC1 1458a_100000183577_200025704644 [0,1,0,1,0,0|1,0,0]=3 9153 B13R1.45 [13CH3]C(=O)CNC(=O)C1CCCCC1 1458a_100000183267_200025704644 [0,1,0,1,0,0|2,0,0]=4 9154 B13R1.45 [13CH3]C(=O)CNC(=O)C1CCOCC1 1458a_200000754379_200025704644 [0,1,0,1,0,0|2,0,0]=4 9155 B13R1.562 COCCN1CC(CC1=O)C(=O)C 1458a_100000216209_200000210301 [0,1,0,1,0,0|2,0,0]=4 9156 B13R1.562 COCCN1CC(CC1=O)C(=O)[13CH3] 1458a_100000216209_200025704644 [0,1,0,1,0,0|2,0,0]=4 9157 B13R1.638 C=C(C)CCC(=O)N1CC(C1)CC 11a_100015205115_200000688413 [0,1,0,1,0,0|2,0,0]=4 9158 B13R1.638 C=C(C)CCC(=O)N1CC(C1)CC 1626a_100015205115_200000688413 [0,1,0,1,0,0|2,0,0]=4 9159 B13R1.638 C=C(C)CCC(=O)N1CC(C1)CC 240690a_100015205115_200000688413 [0,1,0,1,0,0|2,0,0]=4 9160 B13R1.638 C=C(C)CCC(=O)N1CC(C1)CC 527a_100015205115_200000688413 [0,1,0,1,0,0|2,0,0]=4 9161 B13R1.638 CCC1CN(C1)C(=O)CCC(=O)N 240690a_100015205115_100011215257 [0,1,0,1,0,0|2,0,0]=4 9162 B13R1.638 CCC1CN(C1)C(=O)CCC(=O)N 527a_100015205115_100011215257 [0,1,0,1,0,0|2,0,0]=4 9163 B13R1.638 CCC1CN(C1)C(=O)CNC(=O)C 11a_100015205115_100000194580 [0,1,0,1,0,0|2,0,0]=4 9164 B13R1.638 CCC1CN(C1)C(=O)CNC(=O)C 1626a_100015205115_100000194580 [0,1,0,1,0,0|2,0,0]=4 9165 B13R1.638 CCC1CN(C1)C(=O)CNC(=O)C 240690a_100015205115_100000194580 [0,1,0,1,0,0|2,0,0]=4 9166 B13R1.638 CCC1CN(C1)C(=O)CNC(=O)C 527a_100015205115_100000194580 [0,1,0,1,0,0|2,0,0]=4 9167 B13R1.638 CCC1CN(C1)C(=O)COC(=O)C 1626a_100015205115_100000183556 [0,1,0,1,0,0|2,0,0]=4 9168 B13R1.638 CCC1CN(C1)C(=O)COC(=O)C 240690a_100015205115_100000183556 [0,1,0,1,0,0|2,0,0]=4 9169 B13R1.638 CCC1CN(C1)C(=O)COC(=O)C 527a_100015205115_100000183556 [0,1,0,1,0,0|2,0,0]=4 9170 B13R1.638 CCC1CN(C1)C(=O)CSC(=O)C 11a_100015205115_100000049016 [0,1,0,1,0,0|2,0,0]=4 9171 B13R1.638 CCC1CN(C1)C(=O)CSC(=O)C 1626a_100015205115_100000049016 [0,1,0,1,0,0|2,0,0]=4 9172 B13R1.638 CCC1CN(C1)C(=O)CSC(=O)C 240690a_100015205115_100000049016 [0,1,0,1,0,0|2,0,0]=4 9173 B13R1.885 CC(=O)CC1C(=O)N(CCN1C)C 1458a_200000118304_200000210301 [0,1,0,1,0,0|2,0,0]=4 9174 B13R1.885 CN1CCN(C(C1=O)CC(=O)[13CH3])C 1458a_200000118304_200025704644 [0,1,0,1,0,0|2,0,0]=4 9175 B13R1.1994 C=C(C)CCC(=O)N(C)C1CCC1 11a_100000758072_200000688413 [0,1,0,1,0,0|2,0,0]=4 9176 B13R1.1994 C=C(C)CCC(=O)N(C)C1CCC1 1626a_100000758072_200000688413 [0,1,0,1,0,0|2,0,0]=4 9177 B13R1.1994 C=C(C)CCC(=O)N(C)C1CCC1 240690a_100000758072_200000688413 [0,1,0,1,0,0|2,0,0]=4 9178 B13R1.1994 C=C(C)CCC(=O)N(C)C1CCC1 527a_100000758072_200000688413 [0,1,0,1,0,0|2,0,0]=4 9179 B13R1.1994 CC(=O)NCC(=O)N(C)C1CCC1 11a_100000758072_100000194580 [0,1,0,1,0,0|2,0,0]=4 9180 B13R1.1994 CC(=O)NCC(=O)N(C)C1CCC1 1626a_100000758072_100000194580 [0,1,0,1,0,0|2,0,0]=4 9181 B13R1.1994 CC(=O)NCC(=O)N(C)C1CCC1 240690a_100000758072_100000194580 [0,1,0,1,0,0|2,0,0]=4 9182 B13R1.1994 CC(=O)NCC(=O)N(C)C1CCC1 527a_100000758072_100000194580 [0,1,0,1,0,0|2,0,0]=4 9183 B13R1.1994 CC(=O)OCC(=O)N(C)C1CCC1 1626a_100000758072_100000183556 [0,1,0,1,0,0|2,0,0]=4 9184 B13R1.1994 CC(=O)OCC(=O)N(C)C1CCC1 240690a_100000758072_100000183556 [0,1,0,1,0,0|2,0,0]=4 9185 B13R1.1994 CC(=O)OCC(=O)N(C)C1CCC1 527a_100000758072_100000183556 [0,1,0,1,0,0|2,0,0]=4 9186 B13R1.1994 CC(=O)SCC(=O)N(C)C1CCC1 11a_100000758072_100000049016 [0,1,0,1,0,0|2,0,0]=4 9187 B13R1.1994 CC(=O)SCC(=O)N(C)C1CCC1 1626a_100000758072_100000049016 [0,1,0,1,0,0|2,0,0]=4 9188 B13R1.1994 CC(=O)SCC(=O)N(C)C1CCC1 240690a_100000758072_100000049016 [0,1,0,1,0,0|2,0,0]=4 9189 B13R1.1994 CN(C(=O)CCC(=O)N)C1CCC1 240690a_100000758072_100011215257 [0,1,0,1,0,0|2,0,0]=4 9190 B13R1.1994 CN(C(=O)CCC(=O)N)C1CCC1 527a_100000758072_100011215257 [0,1,0,1,0,0|2,0,0]=4 9191 B13R1.1996 C=C(C)CCC(=O)N(C)CC1CC1 11a_100000741881_200000688413 [0,1,0,1,0,0|2,0,0]=4 9192 B13R1.1996 C=C(C)CCC(=O)N(C)CC1CC1 1626a_100000741881_200000688413 [0,1,0,1,0,0|2,0,0]=4 9193 B13R1.1996 C=C(C)CCC(=O)N(C)CC1CC1 240690a_100000741881_200000688413 [0,1,0,1,0,0|2,0,0]=4 9194 B13R1.1996 C=C(C)CCC(=O)N(C)CC1CC1 527a_100000741881_200000688413 [0,1,0,1,0,0|2,0,0]=4 9195 B13R1.1996 CC(=O)NCC(=O)N(C)CC1CC1 11a_100000741881_100000194580 [0,1,0,1,0,0|2,0,0]=4 9196 B13R1.1996 CC(=O)NCC(=O)N(C)CC1CC1 1626a_100000741881_100000194580 [0,1,0,1,0,0|2,0,0]=4 9197 B13R1.1996 CC(=O)NCC(=O)N(C)CC1CC1 240690a_100000741881_100000194580 [0,1,0,1,0,0|2,0,0]=4 9198 B13R1.1996 CC(=O)NCC(=O)N(C)CC1CC1 527a_100000741881_100000194580 [0,1,0,1,0,0|2,0,0]=4 9199 B13R1.1996 CC(=O)OCC(=O)N(C)CC1CC1 1626a_100000741881_100000183556 [0,1,0,1,0,0|2,0,0]=4 9200 B13R1.1996 CC(=O)OCC(=O)N(C)CC1CC1 240690a_100000741881_100000183556 [0,1,0,1,0,0|2,0,0]=4 9201 B13R1.1996 CC(=O)OCC(=O)N(C)CC1CC1 527a_100000741881_100000183556 [0,1,0,1,0,0|2,0,0]=4 9202 B13R1.1996 CC(=O)SCC(=O)N(C)CC1CC1 11a_100000741881_100000049016 [0,1,0,1,0,0|2,0,0]=4 9203 B13R1.1996 CC(=O)SCC(=O)N(C)CC1CC1 1626a_100000741881_100000049016 [0,1,0,1,0,0|2,0,0]=4 9204 B13R1.1996 CC(=O)SCC(=O)N(C)CC1CC1 240690a_100000741881_100000049016 [0,1,0,1,0,0|2,0,0]=4 9205 B13R1.1996 CN(CC1CC1)C(=O)CCC(=O)N 240690a_100000741881_100011215257 [0,1,0,1,0,0|2,0,0]=4 9206 B13R1.1996 CN(CC1CC1)C(=O)CCC(=O)N 527a_100000741881_100011215257 [0,1,0,1,0,0|2,0,0]=4 9207 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 11a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 9208 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 1626a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 9209 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 240690a_100159325733_100015343762 [0,1,0,1,0,0|2,0,0]=4 9210 B13R1.3499 CC(=O)NC1CCCCN(C1=O)C 527a_100159325733_100103153847 [0,1,0,1,0,0|2,0,0]=4 9211 B13R1.3557 C=C1CC(C1)C(=O)C(C)CCCC 1458a_100000065620_200011215066 [0,1,0,1,0,0|2,0,0]=4 9212 B13R1.3557 C=C1CC(C1)C(=O)N(C)CCCC 11a_100000207549_100000065620 [0,1,0,1,0,0|2,0,0]=4 9213 B13R1.3557 C=C1CC(C1)C(=O)N(C)CCCC 1626a_100000207549_100000065620 [0,1,0,1,0,0|2,0,0]=4 9214 B13R1.3557 C=C1CC(C1)C(=O)N(C)CCCC 240690a_100000207549_100000065620 [0,1,0,1,0,0|2,0,0]=4 9215 B13R1.3557 C=C1CC(C1)C(=O)N(C)CCCC 527a_100000207549_100000065620 [0,1,0,1,0,0|2,0,0]=4 9216 B13R1.3557 CCCCC(C)C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200011215066 [0,1,0,1,0,0|2,0,0]=4 9217 B13R1.3557 CCCCN(C)C(=O)[C@@H]1CC(=O)N1 527a_100000207549_100016090685 [0,1,0,1,0,0|2,0,0]=4 9218 B13R1.6294 C=C(C)CCC(=O)C1(CCCC1)C 1458a_100000239728_100000730704 [0,1,0,1,0,0|2,0,0]=4 9219 B13R1.6294 C=C(C)CCC(=O)C1(CCCC1)O 1458a_100000242637_100000730704 [0,1,0,1,0,0|2,0,0]=4 9220 B13R1.339 CC(=O)C(=O)CC(=O)C1CCCC1 1458a_100000210718_100011261029 [0,1,0,1,0,0|1,0,1]=4 9221 B13R1.339 CC(=O)N(C)CC(=O)C1CCCC1 1458a_100000194957_100000179811 [0,1,0,1,0,0|2,0,0]=4 9222 B13R1.339 CC(=O)N(C)CC(=O)N1CCCC1 11a_100025772637_100015343762 [0,1,0,1,0,0|2,0,0]=4 9223 B13R1.339 CC(=O)N(C)CC(=O)N1CCCC1 1626a_100025772637_100015343762 [0,1,0,1,0,0|2,0,0]=4 9224 B13R1.339 CC(=O)N(C)CC(=O)N1CCCC1 240690a_100000188435_100000194957 [0,1,0,1,0,0|2,0,0]=4 9225 B13R1.339 CC(=O)N(C)CC(=O)N1CCCC1 240690a_100025772637_100015343762 [0,1,0,1,0,0|2,0,0]=4 9226 B13R1.339 CC(=O)N(C)CC(=O)N1CCCC1 527a_100000188435_100000194957 [0,1,0,1,0,0|2,0,0]=4 9227 B13R1.339 CC(=O)N(C)CC(=O)N1CCCC1 527a_100025772637_100103153847 [0,1,0,1,0,0|2,0,0]=4 9228 B13R1.852 CC(=O)N(C)CC(=O)N1CCC1C 11a_100000755817_100000194957 [0,1,0,1,0,0|2,0,0]=4 9229 B13R1.852 CC(=O)N(C)CC(=O)N1CCC1C 240690a_100000755817_100000194957 [0,1,0,1,0,0|2,0,0]=4 9230 B13R1.852 CC(=O)N(C)CC(=O)N1CCC1C 527a_100000755817_100000194957 [0,1,0,1,0,0|2,0,0]=4 9231 B13R1.1037 CC(=O)C(=O)CC(=O)CC1CCC1 1458a_100000763092_100011261029 [0,1,0,1,0,0|1,0,1]=4 9232 B13R1.1037 CC(=O)N(C)CC(=O)CC1CCC1 1458a_100000194957_100000763275 [0,1,0,1,0,0|2,0,0]=4 9233 B13R1.1037 CC(=O)N(C)CC(=O)NC1CCC1 11a_100000749019_100000194957 [0,1,0,1,0,0|2,0,0]=4 9234 B13R1.1037 CC(=O)N(C)CC(=O)NC1CCC1 1626a_100000749019_100000194957 [0,1,0,1,0,0|2,0,0]=4 9235 B13R1.1037 CC(=O)N(C)CC(=O)NC1CCC1 240690a_100000749019_100000194957 [0,1,0,1,0,0|2,0,0]=4 9236 B13R1.1037 CC(=O)N(C)CC(=O)NC1CCC1 527a_100000749019_100000194957 [0,1,0,1,0,0|2,0,0]=4 9237 B13R1.1038 CC(=O)C(=O)CC(=O)CCC1CC1 1458a_100000756386_100011261029 [0,1,0,1,0,0|1,0,1]=4 9238 B13R1.1038 CC(=O)N(C)CC(=O)CCC1CC1 1458a_100000194957_100000694398 [0,1,0,1,0,0|2,0,0]=4 9239 B13R1.1038 CC(=O)N(C)CC(=O)NCC1CC1 11a_100000735609_100000194957 [0,1,0,1,0,0|2,0,0]=4 9240 B13R1.1038 CC(=O)N(C)CC(=O)NCC1CC1 1626a_100000735609_100000194957 [0,1,0,1,0,0|2,0,0]=4 9241 B13R1.1038 CC(=O)N(C)CC(=O)NCC1CC1 240690a_100000735609_100000194957 [0,1,0,1,0,0|2,0,0]=4 9242 B13R1.1038 CC(=O)N(C)CC(=O)NCC1CC1 527a_100000735609_100000194957 [0,1,0,1,0,0|2,0,0]=4 9243 B13R1.2072 CCC1CC1C(=O)CC(=O)C(=O)C 1458a_200011661523_100011261029 [0,1,0,1,0,0|1,0,1]=4 9244 B13R1.369 CCCCOC1CCC(=O)NC1=O 7a_100000210227_100000694648 [0,1,0,1,0,0|1,0,1]=4 9245 B13R1.2135 CCN1CCNC(=O)C1CC(=O)C 1458a_100000243815_200000210301 [0,1,0,1,0,0|1,0,0]=3 9246 B13R1.2135 CCN1CCNC(=O)C1CC(=O)[13CH3] 1458a_100000243815_200025704644 [0,1,0,1,0,0|1,0,0]=3 9247 B13R1.340 CC(=O)NC(C)C(=O)N1CCCC1 11a_100000747167_100015343762 [0,1,0,1,0,0|2,0,0]=4 9248 B13R1.340 CC(=O)NC(C)C(=O)N1CCCC1 1626a_100000747167_100015343762 [0,1,0,1,0,0|2,0,0]=4 9249 B13R1.340 CC(=O)NC(C)C(=O)N1CCCC1 240690a_100000747167_100015343762 [0,1,0,1,0,0|2,0,0]=4 9250 B13R1.340 CC(=O)NC(C)C(=O)N1CCCC1 527a_100000747167_100103153847 [0,1,0,1,0,0|2,0,0]=4 9251 B13R1.340 CC(=O)N[C@H](C)C(=O)C1CCCC1 1458a_100011504603_100000179811 [0,1,0,1,0,0|2,0,0]=4 9252 B13R1.340 CC(=O)N[C@H](C)C(=O)N1CCCC1 240690a_100000188435_100011504603 [0,1,0,1,0,0|2,0,0]=4 9253 B13R1.340 CC(=O)N[C@H](C)C(=O)N1CCCC1 527a_100000188435_100011504603 [0,1,0,1,0,0|2,0,0]=4 9254 B13R1.340 CC(=O)OC(C)C(=O)C1CCCC1 1458a_100000210718_100009818208 [0,1,0,1,0,0|2,0,0]=4 9255 B13R1.340 CC(=O)O[C@@H](C)C(=O)C1CCCC1 1458a_100009816467_100000179811 [0,1,0,1,0,0|2,0,0]=4 9256 B13R1.340 CC(=O)O[C@@H](C)C(=O)N1CCCC1 240690a_100000188435_100009816467 [0,1,0,1,0,0|2,0,0]=4 9257 B13R1.340 CC(=O)O[C@@H](C)C(=O)N1CCCC1 527a_100000188435_100009816467 [0,1,0,1,0,0|2,0,0]=4 9258 B13R1.851 CC(=O)N[C@H](C)C(=O)N1CCC1C 11a_100000755817_100011504603 [0,1,0,1,0,0|2,0,0]=4 9259 B13R1.851 CC(=O)N[C@H](C)C(=O)N1CCC1C 240690a_100000755817_100011504603 [0,1,0,1,0,0|2,0,0]=4 9260 B13R1.851 CC(=O)N[C@H](C)C(=O)N1CCC1C 527a_100000755817_100011504603 [0,1,0,1,0,0|2,0,0]=4 9261 B13R1.851 CC(=O)O[C@@H](C)C(=O)N1CCC1C 11a_100000755817_100009816467 [0,1,0,1,0,0|2,0,0]=4 9262 B13R1.851 CC(=O)O[C@@H](C)C(=O)N1CCC1C 240690a_100000755817_100009816467 [0,1,0,1,0,0|2,0,0]=4 9263 B13R1.851 CC(=O)O[C@@H](C)C(=O)N1CCC1C 527a_100000755817_100009816467 [0,1,0,1,0,0|2,0,0]=4 9264 B13R1.1040 CC(=O)N[C@H](C)C(=O)CC1CCC1 1458a_100011504603_100000763275 [0,1,0,1,0,0|2,0,0]=4 9265 B13R1.1040 CC(=O)N[C@H](C)C(=O)NC1CCC1 11a_100000749019_100011504603 [0,1,0,1,0,0|2,0,0]=4 9266 B13R1.1040 CC(=O)N[C@H](C)C(=O)NC1CCC1 1626a_100000749019_100011504603 [0,1,0,1,0,0|2,0,0]=4 9267 B13R1.1040 CC(=O)N[C@H](C)C(=O)NC1CCC1 240690a_100000749019_100011504603 [0,1,0,1,0,0|2,0,0]=4 9268 B13R1.1040 CC(=O)N[C@H](C)C(=O)NC1CCC1 527a_100000749019_100011504603 [0,1,0,1,0,0|2,0,0]=4 9269 B13R1.1040 CC(=O)OC(C)C(=O)CC1CCC1 1458a_100000763092_100009818208 [0,1,0,1,0,0|2,0,0]=4 9270 B13R1.1040 CC(=O)O[C@@H](C)C(=O)CC1CCC1 1458a_100009816467_100000763275 [0,1,0,1,0,0|2,0,0]=4 9271 B13R1.1040 CC(=O)O[C@@H](C)C(=O)NC1CCC1 11a_100000749019_100009816467 [0,1,0,1,0,0|2,0,0]=4 9272 B13R1.1040 CC(=O)O[C@@H](C)C(=O)NC1CCC1 1626a_100000749019_100009816467 [0,1,0,1,0,0|2,0,0]=4 9273 B13R1.1040 CC(=O)O[C@@H](C)C(=O)NC1CCC1 240690a_100000749019_100009816467 [0,1,0,1,0,0|2,0,0]=4 9274 B13R1.1040 CC(=O)O[C@@H](C)C(=O)NC1CCC1 527a_100000749019_100009816467 [0,1,0,1,0,0|2,0,0]=4 9275 B13R1.1041 CC(=O)N[C@H](C)C(=O)CCC1CC1 1458a_100011504603_100000694398 [0,1,0,1,0,0|2,0,0]=4 9276 B13R1.1041 CC(=O)N[C@H](C)C(=O)NCC1CC1 11a_100000735609_100011504603 [0,1,0,1,0,0|2,0,0]=4 9277 B13R1.1041 CC(=O)N[C@H](C)C(=O)NCC1CC1 1626a_100000735609_100011504603 [0,1,0,1,0,0|2,0,0]=4 9278 B13R1.1041 CC(=O)N[C@H](C)C(=O)NCC1CC1 240690a_100000735609_100011504603 [0,1,0,1,0,0|2,0,0]=4 9279 B13R1.1041 CC(=O)N[C@H](C)C(=O)NCC1CC1 527a_100000735609_100011504603 [0,1,0,1,0,0|2,0,0]=4 9280 B13R1.1041 CC(=O)OC(C)C(=O)CCC1CC1 1458a_100000756386_100009818208 [0,1,0,1,0,0|2,0,0]=4 9281 B13R1.1041 CC(=O)O[C@@H](C)C(=O)CCC1CC1 1458a_100009816467_100000694398 [0,1,0,1,0,0|2,0,0]=4 9282 B13R1.1041 CC(=O)O[C@@H](C)C(=O)NCC1CC1 11a_100000735609_100009816467 [0,1,0,1,0,0|2,0,0]=4 9283 B13R1.1041 CC(=O)O[C@@H](C)C(=O)NCC1CC1 1626a_100000735609_100009816467 [0,1,0,1,0,0|2,0,0]=4 9284 B13R1.1041 CC(=O)O[C@@H](C)C(=O)NCC1CC1 240690a_100000735609_100009816467 [0,1,0,1,0,0|2,0,0]=4 9285 B13R1.1041 CC(=O)O[C@@H](C)C(=O)NCC1CC1 527a_100000735609_100009816467 [0,1,0,1,0,0|2,0,0]=4 9286 B13R1.2071 CCC1CC1C(=O)C(C)OC(=O)C 1458a_200011661523_100009818208 [0,1,0,1,0,0|2,0,0]=4 9287 B13R1.162 C#CC(=O)CCC(=O)N1CCCC1 1458a_100000211873_100011194422 [0,1,0,1,0,0|1,0,1]=4 9288 B13R1.162 C=CC(=O)CCC(=O)N1CCCC1 1458a_100000185746_100011194422 [0,1,0,1,0,0|1,0,1]=4 9289 B13R1.162 CCC(=O)CCC(=O)N1CCCC1 1458a_100000210414_100011194422 [0,1,0,1,0,0|1,0,0]=3 9290 B13R1.162 CCC(=O)CCC(=O)N1CCCC1 1458a_200000187315_100000210202 [0,1,0,1,0,0|1,0,0]=3 9291 B13R1.162 CCC(=O)NCC(=O)C1CCCC1 1458a_100000194589_100000179811 [0,1,0,1,0,0|2,0,0]=4 9292 B13R1.162 CCC(=O)NCC(=O)N1CCCC1 11a_100000751844_100000210414 [0,1,0,1,0,0|2,0,0]=4 9293 B13R1.162 CCC(=O)NCC(=O)N1CCCC1 1626a_100000751844_100000210414 [0,1,0,1,0,0|2,0,0]=4 9294 B13R1.162 CCC(=O)NCC(=O)N1CCCC1 240690a_100000188435_100000194589 [0,1,0,1,0,0|2,0,0]=4 9295 B13R1.162 CCC(=O)NCC(=O)N1CCCC1 240690a_100000751844_100000210414 [0,1,0,1,0,0|2,0,0]=4 9296 B13R1.162 CCC(=O)NCC(=O)N1CCCC1 527a_100000188435_100000194589 [0,1,0,1,0,0|2,0,0]=4 9297 B13R1.162 CCC(=O)NCC(=O)N1CCCC1 527a_100000751844_100000210414 [0,1,0,1,0,0|2,0,0]=4 9298 B13R1.162 CCS(=O)CCC(=O)C1CCCC1 1458a_100011387550_100000179811 [0,1,0,1,0,0|2,0,0]=4 9299 B13R1.162 CCS(=O)CCC(=O)N1CCCC1 240690a_100000188435_100011387550 [0,1,0,1,0,0|2,0,0]=4 9300 B13R1.162 CCS(=O)CCC(=O)N1CCCC1 527a_100000188435_100011387550 [0,1,0,1,0,0|2,0,0]=4 9301 B13R1.162 CNC(=O)CCC(=O)C1CCCC1 1458a_100011309844_100000179811 [0,1,0,1,0,0|1,0,0]=3 9302 B13R1.162 CNC(=O)CCC(=O)C1CCOC1 1458a_100011309844_100000690089 [0,1,0,1,0,0|2,0,0]=4 9303 B13R1.162 CNC(=O)CCC(=O)N1CCCC1 11a_106832991635_200000187315 [0,1,0,1,0,0|1,0,0]=3 9304 B13R1.162 CNC(=O)CCC(=O)N1CCCC1 1626a_100102657272_200000187315 [0,1,0,1,0,0|1,0,0]=3 9305 B13R1.162 CNC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100011309844 [0,1,0,1,0,0|1,0,0]=3 9306 B13R1.162 CNC(=O)CCC(=O)N1CCCC1 240690a_100102657272_200000187315 [0,1,0,1,0,0|1,0,0]=3 9307 B13R1.162 CNC(=O)CCC(=O)N1CCCC1 527a_100000188435_100011309844 [0,1,0,1,0,0|1,0,0]=3 9308 B13R1.162 CNC(=O)CCC(=O)N1CCSC1 11a_100011215254_100011309844 [0,1,0,1,0,0|2,0,0]=4 9309 B13R1.162 CNC(=O)CCC(=O)N1CCSC1 240690a_100011215254_100011309844 [0,1,0,1,0,0|2,0,0]=4 9310 B13R1.162 CNC(=O)CCC(=O)N1CCSC1 527a_100011215254_100011309844 [0,1,0,1,0,0|2,0,0]=4 9311 B13R1.162 CNC(=O)CNC(=O)C1CCCC1 11a_100000693194_100000210718 [0,1,0,1,0,0|2,0,0]=4 9312 B13R1.162 CNC(=O)CNC(=O)C1CCCC1 240690a_100000693194_100000210718 [0,1,0,1,0,0|2,0,0]=4 9313 B13R1.162 CNC(=O)CNC(=O)C1CCCC1 527a_100000693194_100000210718 [0,1,0,1,0,0|2,0,0]=4 9314 B13R1.162 CNC(=O)CNC(=O)N1CCCC1 273464a_100000693194_100000188435 [0,1,0,1,0,0|2,0,0]=4 9315 B13R1.162 CNC(=O)NCC(=O)N1CCCC1 2708a_100000751844_106832991635 [0,1,0,1,0,0|2,0,0]=4 9316 B13R1.162 CNC(=O)NCC(=O)N1CCCC1 2708a_100102657272_100000751844 [0,1,0,1,0,0|2,0,0]=4 9317 B13R1.162 CNC(=O)NCC(=O)N1CCCC1 273464a_100000751844_100102657272 [0,1,0,1,0,0|2,0,0]=4 9318 B13R1.162 CNC(=O)NCC(=O)N1CCCC1 273464a_100102657272_100000751844 [0,1,0,1,0,0|2,0,0]=4 9319 B13R1.162 CNC(=O)NCC(=O)N1CCCC1 512a_100000751844_100102657272 [0,1,0,1,0,0|2,0,0]=4 9320 B13R1.162 CNC(=O)NCC(=O)N1CCCC1 512a_106832991638_100000751844 [0,1,0,1,0,0|2,0,0]=4 9321 B13R1.162 COC(=O)CCC(=O)C1CCCC1 1458a_100000187943_100000179811 [0,1,0,1,0,0|1,0,0]=3 9322 B13R1.162 COC(=O)CCC(=O)C1CCOC1 1458a_100000187943_100000690089 [0,1,0,1,0,0|2,0,0]=4 9323 B13R1.162 COC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100000187943 [0,1,0,1,0,0|1,0,0]=3 9324 B13R1.162 COC(=O)CCC(=O)N1CCCC1 527a_100000188435_100000187943 [0,1,0,1,0,0|1,0,0]=3 9325 B13R1.162 COC(=O)CCC(=O)N1CCSC1 11a_100011215254_100000187943 [0,1,0,1,0,0|2,0,0]=4 9326 B13R1.162 COC(=O)CCC(=O)N1CCSC1 240690a_100011215254_100000187943 [0,1,0,1,0,0|2,0,0]=4 9327 B13R1.162 COC(=O)CCC(=O)N1CCSC1 527a_100011215254_100000187943 [0,1,0,1,0,0|2,0,0]=4 9328 B13R1.162 COC(=O)CNC(=O)C1CCCC1 188690a_100000185156_100000210718 [0,1,0,1,0,0|2,0,0]=4 9329 B13R1.162 COC(=O)NCC(=O)C1CCCC1 1458a_100000215747_100000179811 [0,1,0,1,0,0|2,0,0]=4 9330 B13R1.162 COC(=O)NCC(=O)N1CCCC1 240690a_100000188435_100000215747 [0,1,0,1,0,0|2,0,0]=4 9331 B13R1.162 COC(=O)NCC(=O)N1CCCC1 527a_100000188435_100000215747 [0,1,0,1,0,0|2,0,0]=4 9332 B13R1.162 O=C(CF)CCC(=O)N1CCCC1 1458a_200000187315_100015361967 [0,1,0,1,0,0|1,0,0]=3 9333 B13R1.162 O=C(CO)CCC(=O)N1CCCC1 1458a_100000210174_100011194422 [0,1,0,1,0,0|1,0,0]=3 9334 B13R1.162 O=C(CO)NCC(=O)N1CCCC1 240690a_100000751844_100000210174 [0,1,0,1,0,0|2,0,0]=4 9335 B13R1.162 O=C(CO)NCC(=O)N1CCCC1 527a_100000751844_100000210174 [0,1,0,1,0,0|2,0,0]=4 9336 B13R1.527 CCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210202 [0,1,0,1,0,0|2,0,0]=4 9337 B13R1.527 CCC(=O)NC1CCCCNC1=O 11a_100000698827_100000210414 [0,1,0,1,0,0|2,0,0]=4 9338 B13R1.527 CCC(=O)NC1CCCCNC1=O 1626a_100000698827_100000210414 [0,1,0,1,0,0|2,0,0]=4 9339 B13R1.527 CCC(=O)NC1CCCCNC1=O 240690a_100000698827_100000210414 [0,1,0,1,0,0|2,0,0]=4 9340 B13R1.527 CCC(=O)NC1CCCCNC1=O 527a_100000698827_100000210414 [0,1,0,1,0,0|2,0,0]=4 9341 B13R1.527 CNC(=O)CN1CCCCCC1=O 11a_106832991635_100000181294 [0,1,0,1,0,0|2,0,0]=4 9342 B13R1.527 CNC(=O)CN1CCCCCC1=O 1626a_100102657272_100000181294 [0,1,0,1,0,0|2,0,0]=4 9343 B13R1.527 CNC(=O)CN1CCCCCC1=O 240690a_100102657272_100000181294 [0,1,0,1,0,0|2,0,0]=4 9344 B13R1.527 CNC(=O)CN1CCCCCC1=O 527a_100102657272_100000181294 [0,1,0,1,0,0|2,0,0]=4 9345 B13R1.527 CNC(=O)NC1CCCCNC1=O 2708a_100102657272_100000698827 [0,1,0,1,0,0|2,0,0]=4 9346 B13R1.527 CNC(=O)NC1CCCCNC1=O 273464a_100000698827_100102657272 [0,1,0,1,0,0|2,0,0]=4 9347 B13R1.527 CNC(=O)NC1CCCCNC1=O 273464a_100102657272_100000698827 [0,1,0,1,0,0|2,0,0]=4 9348 B13R1.527 CNC(=O)NC1CCCCNC1=O 512a_100000698827_100102657272 [0,1,0,1,0,0|2,0,0]=4 9349 B13R1.527 CNC(=O)NC1CCCCNC1=O 512a_106832991638_100000698827 [0,1,0,1,0,0|2,0,0]=4 9350 B13R1.527 O=C(CF)CN1CCCCCC1=O 1458a_100000181294_100015361967 [0,1,0,1,0,0|2,0,0]=4 9351 B13R1.527 O=C(CO)NC1CCCCNC1=O 240690a_100000698827_100000210174 [0,1,0,1,0,0|2,0,0]=4 9352 B13R1.527 O=C(CO)NC1CCCCNC1=O 527a_100000698827_100000210174 [0,1,0,1,0,0|2,0,0]=4 9353 B13R1.1151 CCCCOC1CC(C1)C(=O)OC 34a_100000210227_100009897219 [0,1,0,1,0,0|1,0,1]=4 9354 B13R1.1151 CCCCOC1CC(C1)C(=O)OC 7a_100000076263_100000210211 [0,1,0,1,0,0|1,0,1]=4 9355 B13R1.1151 CCCCOC1CC(C1)C(=O)OC 7a_100000210227_100009897219 [0,1,0,1,0,0|1,0,1]=4 9356 B13R1.2073 CCC1CC1C(=O)NCC(=O)NC 11a_100000693194_200011661523 [0,1,0,1,0,0|2,0,0]=4 9357 B13R1.2073 CCC1CC1C(=O)NCC(=O)NC 240690a_100000693194_200011661523 [0,1,0,1,0,0|2,0,0]=4 9358 B13R1.2073 CCC1CC1C(=O)NCC(=O)NC 527a_100000693194_200011661523 [0,1,0,1,0,0|2,0,0]=4 9359 B13R1.2073 CCC1CC1C(=O)NCC(=O)OC 188690a_100000185156_200011661523 [0,1,0,1,0,0|2,0,0]=4 9360 B13R1.3544 CNC(=O)CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011309844 [0,1,0,1,0,0|2,0,0]=4 9361 B13R1.3544 CNC(=O)CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100011309844 [0,1,0,1,0,0|2,0,0]=4 9362 B13R1.3544 CNC(=O)CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100011309844 [0,1,0,1,0,0|2,0,0]=4 9363 B13R1.3544 CNC(=O)CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100011309844 [0,1,0,1,0,0|2,0,0]=4 9364 B13R1.3544 CNC(=O)CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011309844 [0,1,0,1,0,0|2,0,0]=4 9365 B13R1.3544 CNC(=O)CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100011309844 [0,1,0,1,0,0|2,0,0]=4 9366 B13R1.3544 COC(=O)CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000187943 [0,1,0,1,0,0|2,0,0]=4 9367 B13R1.3544 COC(=O)CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000187943 [0,1,0,1,0,0|2,0,0]=4 9368 B13R1.3544 COC(=O)CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000187943 [0,1,0,1,0,0|2,0,0]=4 9369 B13R1.3544 COC(=O)CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000187943 [0,1,0,1,0,0|2,0,0]=4 9370 B13R1.3544 COC(=O)CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000187943 [0,1,0,1,0,0|2,0,0]=4 9371 B13R1.3544 COC(=O)CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000187943 [0,1,0,1,0,0|2,0,0]=4 9372 B13R1.3545 CCC(=O)NCC(=O)CC1CCC1 1458a_100000194589_100000763275 [0,1,0,1,0,0|2,0,0]=4 9373 B13R1.3545 CCC(=O)NCC(=O)NC1CCC1 11a_100000749019_100000194589 [0,1,0,1,0,0|2,0,0]=4 9374 B13R1.3545 CCC(=O)NCC(=O)NC1CCC1 1626a_100000749019_100000194589 [0,1,0,1,0,0|2,0,0]=4 9375 B13R1.3545 CCC(=O)NCC(=O)NC1CCC1 240690a_100000749019_100000194589 [0,1,0,1,0,0|2,0,0]=4 9376 B13R1.3545 CCC(=O)NCC(=O)NC1CCC1 527a_100000749019_100000194589 [0,1,0,1,0,0|2,0,0]=4 9377 B13R1.3545 CCS(=O)CCC(=O)CC1CCC1 1458a_100011387550_100000763275 [0,1,0,1,0,0|2,0,0]=4 9378 B13R1.3545 CCS(=O)CCC(=O)NC1CCC1 11a_100000749019_100011387550 [0,1,0,1,0,0|2,0,0]=4 9379 B13R1.3545 CCS(=O)CCC(=O)NC1CCC1 1626a_100000749019_100011387550 [0,1,0,1,0,0|2,0,0]=4 9380 B13R1.3545 CCS(=O)CCC(=O)NC1CCC1 240690a_100000749019_100011387550 [0,1,0,1,0,0|2,0,0]=4 9381 B13R1.3545 CCS(=O)CCC(=O)NC1CCC1 527a_100000749019_100011387550 [0,1,0,1,0,0|2,0,0]=4 9382 B13R1.3545 CNC(=O)CCC(=O)CC1CCC1 1458a_100011309844_100000763275 [0,1,0,1,0,0|1,0,0]=3 9383 B13R1.3545 CNC(=O)CCC(=O)CC1CCO1 1458a_100011309844_100000103362 [0,1,0,1,0,0|2,0,0]=4 9384 B13R1.3545 CNC(=O)CCC(=O)CC1COC1 1458a_100011309844_100010264016 [0,1,0,1,0,0|2,0,0]=4 9385 B13R1.3545 CNC(=O)CCC(=O)NC1CCC1 11a_100000749019_100011309844 [0,1,0,1,0,0|1,0,0]=3 9386 B13R1.3545 CNC(=O)CCC(=O)NC1CCC1 1626a_100000749019_100011309844 [0,1,0,1,0,0|1,0,0]=3 9387 B13R1.3545 CNC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100011309844 [0,1,0,1,0,0|1,0,0]=3 9388 B13R1.3545 CNC(=O)CCC(=O)NC1CCC1 527a_100000749019_100011309844 [0,1,0,1,0,0|1,0,0]=3 9389 B13R1.3545 CNC(=O)CCC(=O)NC1COC1 11a_100016991112_100011309844 [0,1,0,1,0,0|2,0,0]=4 9390 B13R1.3545 CNC(=O)CCC(=O)NC1COC1 1626a_100016991112_100011309844 [0,1,0,1,0,0|2,0,0]=4 9391 B13R1.3545 CNC(=O)CCC(=O)NC1COC1 240690a_100016991112_100011309844 [0,1,0,1,0,0|2,0,0]=4 9392 B13R1.3545 CNC(=O)CCC(=O)NC1COC1 527a_100016991112_100011309844 [0,1,0,1,0,0|2,0,0]=4 9393 B13R1.3545 CNC(=O)CCC(=O)NC1CSC1 11a_100016994217_100011309844 [0,1,0,1,0,0|2,0,0]=4 9394 B13R1.3545 CNC(=O)CCC(=O)NC1CSC1 1626a_100016994217_100011309844 [0,1,0,1,0,0|2,0,0]=4 9395 B13R1.3545 CNC(=O)CCC(=O)NC1CSC1 240690a_100016994217_100011309844 [0,1,0,1,0,0|2,0,0]=4 9396 B13R1.3545 CNC(=O)CCC(=O)NC1CSC1 527a_100016994217_100011309844 [0,1,0,1,0,0|2,0,0]=4 9397 B13R1.3545 CNC(=O)CNC(=O)CC1CCC1 11a_100000693194_100000763092 [0,1,0,1,0,0|2,0,0]=4 9398 B13R1.3545 CNC(=O)CNC(=O)CC1CCC1 240690a_100000693194_100000763092 [0,1,0,1,0,0|2,0,0]=4 9399 B13R1.3545 CNC(=O)CNC(=O)CC1CCC1 527a_100000693194_100000763092 [0,1,0,1,0,0|2,0,0]=4 9400 B13R1.3545 CNC(=O)CNC(=O)NC1CCC1 273464a_100000693194_100000749019 [0,1,0,1,0,0|2,0,0]=4 9401 B13R1.3545 CNC(=O)CNC(=O)NC1CCC1 273464a_100000749019_100000693194 [0,1,0,1,0,0|2,0,0]=4 9402 B13R1.3545 CNC(=O)CNC(=O)NC1CCC1 512a_100000749019_100000693194 [0,1,0,1,0,0|2,0,0]=4 9403 B13R1.3545 COC(=O)CCC(=O)CC1CCC1 1458a_100000187943_100000763275 [0,1,0,1,0,0|1,0,0]=3 9404 B13R1.3545 COC(=O)CCC(=O)CC1CCO1 1458a_100000187943_100000103362 [0,1,0,1,0,0|2,0,0]=4 9405 B13R1.3545 COC(=O)CCC(=O)CC1COC1 1458a_100000187943_100010264016 [0,1,0,1,0,0|2,0,0]=4 9406 B13R1.3545 COC(=O)CCC(=O)CN1CCC1 269982a_100000754969_100000691467 [0,1,0,1,0,0|2,0,0]=4 9407 B13R1.3545 COC(=O)CCC(=O)NC1CCC1 11a_100000749019_100000187943 [0,1,0,1,0,0|1,0,0]=3 9408 B13R1.3545 COC(=O)CCC(=O)NC1CCC1 1626a_100000749019_100000187943 [0,1,0,1,0,0|1,0,0]=3 9409 B13R1.3545 COC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100000187943 [0,1,0,1,0,0|1,0,0]=3 9410 B13R1.3545 COC(=O)CCC(=O)NC1CCC1 527a_100000749019_100000187943 [0,1,0,1,0,0|1,0,0]=3 9411 B13R1.3545 COC(=O)CCC(=O)NC1COC1 11a_100016991112_100000187943 [0,1,0,1,0,0|2,0,0]=4 9412 B13R1.3545 COC(=O)CCC(=O)NC1COC1 1626a_100016991112_100000187943 [0,1,0,1,0,0|2,0,0]=4 9413 B13R1.3545 COC(=O)CCC(=O)NC1COC1 240690a_100016991112_100000187943 [0,1,0,1,0,0|2,0,0]=4 9414 B13R1.3545 COC(=O)CCC(=O)NC1COC1 527a_100016991112_100000187943 [0,1,0,1,0,0|2,0,0]=4 9415 B13R1.3545 COC(=O)CCC(=O)NC1CSC1 11a_100016994217_100000187943 [0,1,0,1,0,0|2,0,0]=4 9416 B13R1.3545 COC(=O)CCC(=O)NC1CSC1 1626a_100016994217_100000187943 [0,1,0,1,0,0|2,0,0]=4 9417 B13R1.3545 COC(=O)CCC(=O)NC1CSC1 240690a_100016994217_100000187943 [0,1,0,1,0,0|2,0,0]=4 9418 B13R1.3545 COC(=O)CCC(=O)NC1CSC1 527a_100016994217_100000187943 [0,1,0,1,0,0|2,0,0]=4 9419 B13R1.3545 COC(=O)CNC(=O)CC1CCC1 188690a_100000185156_100000763092 [0,1,0,1,0,0|2,0,0]=4 9420 B13R1.3545 COC(=O)NCC(=O)CC1CCC1 1458a_100000215747_100000763275 [0,1,0,1,0,0|2,0,0]=4 9421 B13R1.3545 COC(=O)NCC(=O)NC1CCC1 11a_100000749019_100000215747 [0,1,0,1,0,0|2,0,0]=4 9422 B13R1.3545 COC(=O)NCC(=O)NC1CCC1 1626a_100000749019_100000215747 [0,1,0,1,0,0|2,0,0]=4 9423 B13R1.3545 COC(=O)NCC(=O)NC1CCC1 240690a_100000749019_100000215747 [0,1,0,1,0,0|2,0,0]=4 9424 B13R1.3545 COC(=O)NCC(=O)NC1CCC1 527a_100000749019_100000215747 [0,1,0,1,0,0|2,0,0]=4 9425 B13R1.3546 CCC(=O)NCC(=O)CCC1CC1 1458a_100000194589_100000694398 [0,1,0,1,0,0|2,0,0]=4 9426 B13R1.3546 CCC(=O)NCC(=O)NCC1CC1 11a_100000735609_100000194589 [0,1,0,1,0,0|2,0,0]=4 9427 B13R1.3546 CCC(=O)NCC(=O)NCC1CC1 1626a_100000735609_100000194589 [0,1,0,1,0,0|2,0,0]=4 9428 B13R1.3546 CCC(=O)NCC(=O)NCC1CC1 240690a_100000735609_100000194589 [0,1,0,1,0,0|2,0,0]=4 9429 B13R1.3546 CCC(=O)NCC(=O)NCC1CC1 527a_100000735609_100000194589 [0,1,0,1,0,0|2,0,0]=4 9430 B13R1.3546 CCS(=O)CCC(=O)CCC1CC1 1458a_100011387550_100000694398 [0,1,0,1,0,0|2,0,0]=4 9431 B13R1.3546 CCS(=O)CCC(=O)NCC1CC1 11a_100000735609_100011387550 [0,1,0,1,0,0|2,0,0]=4 9432 B13R1.3546 CCS(=O)CCC(=O)NCC1CC1 1626a_100000735609_100011387550 [0,1,0,1,0,0|2,0,0]=4 9433 B13R1.3546 CCS(=O)CCC(=O)NCC1CC1 240690a_100000735609_100011387550 [0,1,0,1,0,0|2,0,0]=4 9434 B13R1.3546 CCS(=O)CCC(=O)NCC1CC1 527a_100000735609_100011387550 [0,1,0,1,0,0|2,0,0]=4 9435 B13R1.3546 CNC(=O)CCC(=O)CCC1CC1 1458a_100011309844_100000694398 [0,1,0,1,0,0|1,0,0]=3 9436 B13R1.3546 CNC(=O)CCC(=O)CCC1CO1 1458a_100011309844_100000732470 [0,1,0,1,0,0|2,0,0]=4 9437 B13R1.3546 CNC(=O)CCC(=O)NCC1CC1 11a_100000735609_100011309844 [0,1,0,1,0,0|1,0,0]=3 9438 B13R1.3546 CNC(=O)CCC(=O)NCC1CC1 1626a_100000735609_100011309844 [0,1,0,1,0,0|1,0,0]=3 9439 B13R1.3546 CNC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100011309844 [0,1,0,1,0,0|1,0,0]=3 9440 B13R1.3546 CNC(=O)CCC(=O)NCC1CC1 527a_100000735609_100011309844 [0,1,0,1,0,0|1,0,0]=3 9441 B13R1.3546 CNC(=O)CCC(=O)NNC1CC1 22a_100000701032_100011309844 [0,1,0,1,0,0|2,0,0]=4 9442 B13R1.3546 CNC(=O)CNC(=O)CCC1CC1 11a_100000693194_100000756386 [0,1,0,1,0,0|2,0,0]=4 9443 B13R1.3546 CNC(=O)CNC(=O)CCC1CC1 240690a_100000693194_100000756386 [0,1,0,1,0,0|2,0,0]=4 9444 B13R1.3546 CNC(=O)CNC(=O)CCC1CC1 527a_100000693194_100000756386 [0,1,0,1,0,0|2,0,0]=4 9445 B13R1.3546 CNC(=O)CNC(=O)NCC1CC1 2708a_100000735609_100000693194 [0,1,0,1,0,0|2,0,0]=4 9446 B13R1.3546 CNC(=O)CNC(=O)NCC1CC1 273464a_100000693194_100000735609 [0,1,0,1,0,0|2,0,0]=4 9447 B13R1.3546 CNC(=O)CNC(=O)NCC1CC1 273464a_100000735609_100000693194 [0,1,0,1,0,0|2,0,0]=4 9448 B13R1.3546 CNC(=O)CNC(=O)NCC1CC1 512a_100000735609_100000693194 [0,1,0,1,0,0|2,0,0]=4 9449 B13R1.3546 COC(=O)CCC(=O)CCC1CC1 1458a_100000187943_100000694398 [0,1,0,1,0,0|1,0,0]=3 9450 B13R1.3546 COC(=O)CCC(=O)CCC1CO1 1458a_100000187943_100000732470 [0,1,0,1,0,0|2,0,0]=4 9451 B13R1.3546 COC(=O)CCC(=O)CNC1CC1 34a_100000212008_100000691467 [0,1,0,1,0,0|2,0,0]=4 9452 B13R1.3546 COC(=O)CCC(=O)CSC1CC1 62a_100000691467_100000211595 [0,1,0,1,0,0|2,0,0]=4 9453 B13R1.3546 COC(=O)CCC(=O)NCC1CC1 11a_100000735609_100000187943 [0,1,0,1,0,0|1,0,0]=3 9454 B13R1.3546 COC(=O)CCC(=O)NCC1CC1 1626a_100000735609_100000187943 [0,1,0,1,0,0|1,0,0]=3 9455 B13R1.3546 COC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100000187943 [0,1,0,1,0,0|1,0,0]=3 9456 B13R1.3546 COC(=O)CCC(=O)NCC1CC1 527a_100000735609_100000187943 [0,1,0,1,0,0|1,0,0]=3 9457 B13R1.3546 COC(=O)CNC(=O)CCC1CC1 188690a_100000185156_100000756386 [0,1,0,1,0,0|2,0,0]=4 9458 B13R1.3546 COC(=O)NCC(=O)CCC1CC1 1458a_100000215747_100000694398 [0,1,0,1,0,0|2,0,0]=4 9459 B13R1.3546 COC(=O)NCC(=O)NCC1CC1 11a_100000735609_100000215747 [0,1,0,1,0,0|2,0,0]=4 9460 B13R1.3546 COC(=O)NCC(=O)NCC1CC1 1626a_100000735609_100000215747 [0,1,0,1,0,0|2,0,0]=4 9461 B13R1.3546 COC(=O)NCC(=O)NCC1CC1 240690a_100000735609_100000215747 [0,1,0,1,0,0|2,0,0]=4 9462 B13R1.3546 COC(=O)NCC(=O)NCC1CC1 527a_100000735609_100000215747 [0,1,0,1,0,0|2,0,0]=4 9463 B13R1.3547 CCC(=O)NCC(=O)N1CCC1C 11a_100000755817_100000194589 [0,1,0,1,0,0|2,0,0]=4 9464 B13R1.3547 CCC(=O)NCC(=O)N1CCC1C 240690a_100000755817_100000194589 [0,1,0,1,0,0|2,0,0]=4 9465 B13R1.3547 CCC(=O)NCC(=O)N1CCC1C 527a_100000755817_100000194589 [0,1,0,1,0,0|2,0,0]=4 9466 B13R1.3547 CCS(=O)CCC(=O)N1CCC1C 11a_100000755817_100011387550 [0,1,0,1,0,0|2,0,0]=4 9467 B13R1.3547 CCS(=O)CCC(=O)N1CCC1C 240690a_100000755817_100011387550 [0,1,0,1,0,0|2,0,0]=4 9468 B13R1.3547 CCS(=O)CCC(=O)N1CCC1C 527a_100000755817_100011387550 [0,1,0,1,0,0|2,0,0]=4 9469 B13R1.3547 CNC(=O)CCC(=O)N1CCC1C 11a_100000755817_100011309844 [0,1,0,1,0,0|1,0,0]=3 9470 B13R1.3547 CNC(=O)CCC(=O)N1CCC1C 240690a_100000755817_100011309844 [0,1,0,1,0,0|1,0,0]=3 9471 B13R1.3547 CNC(=O)CCC(=O)N1CCC1C 527a_100000755817_100011309844 [0,1,0,1,0,0|1,0,0]=3 9472 B13R1.3547 CNC(=O)CNC(=O)N1CCC1C 273464a_100000693194_100000755817 [0,1,0,1,0,0|2,0,0]=4 9473 B13R1.3547 COC(=O)CCC(=O)N1CCC1C 11a_100000755817_100000187943 [0,1,0,1,0,0|1,0,0]=3 9474 B13R1.3547 COC(=O)CCC(=O)N1CCC1C 240690a_100000755817_100000187943 [0,1,0,1,0,0|1,0,0]=3 9475 B13R1.3547 COC(=O)CCC(=O)N1CCC1C 527a_100000755817_100000187943 [0,1,0,1,0,0|1,0,0]=3 9476 B13R1.3547 COC(=O)NCC(=O)N1CCC1C 11a_100000755817_100000215747 [0,1,0,1,0,0|2,0,0]=4 9477 B13R1.3547 COC(=O)NCC(=O)N1CCC1C 240690a_100000755817_100000215747 [0,1,0,1,0,0|2,0,0]=4 9478 B13R1.3547 COC(=O)NCC(=O)N1CCC1C 527a_100000755817_100000215747 [0,1,0,1,0,0|2,0,0]=4 9479 B13R1.4928 CNC(=O)CC1C(=O)NCCN1C 2230a_200000106748_200000210301 [0,1,0,1,0,0|2,0,0]=4 9480 B13R1.4928 CNC(=O)CC1C(=O)NCCN1C 34a_200000106748_200000210301 [0,1,0,1,0,0|2,0,0]=4 9481 B13R1.4928 CNC(=O)CC1C(=O)NCCN1[13CH3] 2230a_200000106748_200025704644 [0,1,0,1,0,0|2,0,0]=4 9482 B13R1.4928 CNC(=O)CC1C(=O)NCCN1[13CH3] 34a_200000106748_200025704644 [0,1,0,1,0,0|2,0,0]=4 9483 B13R1.4928 COC(=O)CC1C(=O)NCCN1C 2230a_100000010754_200000210301 [0,1,0,1,0,0|2,0,0]=4 9484 B13R1.4928 COC(=O)CC1C(=O)NCCN1C 34a_100000010754_200000210301 [0,1,0,1,0,0|2,0,0]=4 9485 B13R1.4928 COC(=O)CC1C(=O)NCCN1[13CH3] 2230a_100000010754_200025704644 [0,1,0,1,0,0|2,0,0]=4 9486 B13R1.4928 COC(=O)CC1C(=O)NCCN1[13CH3] 34a_100000010754_200025704644 [0,1,0,1,0,0|2,0,0]=4 9487 B13R1.8912 CCCCOC1(CCC(=O)CC1)C 34a_100012184276_100000210210 [0,1,0,1,0,0|1,0,1]=4 9488 B13R1.8912 CCCCOC1(CCC(=O)CC1)C 7a_100012184276_100000210211 [0,1,0,1,0,0|1,0,1]=4 9489 B13R1.14 CCC(C)COC1CCC(=O)CC1 34a_100000764474_100000748023 [0,1,0,1,0,0|1,0,1]=4 9490 B13R1.14 CCC(C)COC1CCC(=O)CC1 7a_100000764474_100000748023 [0,1,0,1,0,0|1,0,1]=4 9491 B13R1.14 CCC(O)COC1CCC(=O)CC1 34a_100000764474_100011218378 [0,1,0,1,0,0|1,0,1]=4 9492 B13R1.14 CCC(O)COC1CCC(=O)CC1 7a_100000764474_100011218378 [0,1,0,1,0,0|1,0,1]=4 9493 B13R1.14 CC[C@H](C)COC1CCC(=O)CC1 34a_100000764474_100009816398 [0,1,0,1,0,0|1,0,1]=4 9494 B13R1.14 CC[C@H](C)COC1CCC(=O)CC1 7a_100000764474_100009816398 [0,1,0,1,0,0|1,0,1]=4 9495 B13R1.277 CC(=O)OCC(=O)CN1CCC1C 269982a_100000755817_100000036994 [0,1,0,1,0,0|2,0,0]=4 9496 B13R1.277 CC(=O)OCC(=O)CN1CCC1C 34a_100000755817_100000036994 [0,1,0,1,0,0|2,0,0]=4 9497 B13R1.786 C=C(C)CCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_200000688413 [0,1,0,1,0,0|2,0,0]=4 9498 B13R1.786 C=C(C)CCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_200000688413 [0,1,0,1,0,0|2,0,0]=4 9499 B13R1.786 C=C(C)CCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_200000688413 [0,1,0,1,0,0|2,0,0]=4 9500 B13R1.786 CC(=O)NCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000194580 [0,1,0,1,0,0|2,0,0]=4 9501 B13R1.786 CC(=O)NCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000194580 [0,1,0,1,0,0|2,0,0]=4 9502 B13R1.786 CC(=O)NCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000194580 [0,1,0,1,0,0|2,0,0]=4 9503 B13R1.786 CC(=O)OCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000183556 [0,1,0,1,0,0|2,0,0]=4 9504 B13R1.786 CC(=O)OCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000183556 [0,1,0,1,0,0|2,0,0]=4 9505 B13R1.786 CC(=O)SCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000049016 [0,1,0,1,0,0|2,0,0]=4 9506 B13R1.786 CC(=O)SCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000049016 [0,1,0,1,0,0|2,0,0]=4 9507 B13R1.786 C[C@H]1[C@H](CN1C(=O)CCC(=O)N)O 240690a_206633788156_100011215257 [0,1,0,1,0,0|2,0,0]=4 9508 B13R1.786 C[C@H]1[C@H](CN1C(=O)CCC(=O)N)O 527a_206633788156_100011215257 [0,1,0,1,0,0|2,0,0]=4 9509 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 11a_100000738700_200000688413 [0,1,0,1,0,0|2,0,0]=4 9510 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 1626a_100000738700_200000688413 [0,1,0,1,0,0|2,0,0]=4 9511 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 240690a_100000738700_200000688413 [0,1,0,1,0,0|2,0,0]=4 9512 B13R1.1054 C=C(C)CCC(=O)NCC1CCC1 527a_100000738700_200000688413 [0,1,0,1,0,0|2,0,0]=4 9513 B13R1.1054 C=C(C)CCC(=O)NCC1COC1 11a_100015281925_200000688413 [0,1,0,1,0,0|2,0,0]=4 9514 B13R1.1054 C=C(C)CCC(=O)NCC1COC1 1626a_100015281925_200000688413 [0,1,0,1,0,0|2,0,0]=4 9515 B13R1.1054 C=C(C)CCC(=O)NCC1COC1 240690a_100015281925_200000688413 [0,1,0,1,0,0|2,0,0]=4 9516 B13R1.1054 C=C(C)CCC(=O)NCC1COC1 527a_100015281925_200000688413 [0,1,0,1,0,0|2,0,0]=4 9517 B13R1.1054 C=C(C)CCC(=O)NC[C@@H]1CCO1 11a_100020831831_200000688413 [0,1,0,1,0,0|2,0,0]=4 9518 B13R1.1054 C=C(C)CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_200000688413 [0,1,0,1,0,0|2,0,0]=4 9519 B13R1.1054 C=C(C)CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_200000688413 [0,1,0,1,0,0|2,0,0]=4 9520 B13R1.1054 C=C(C)CCC(=O)NC[C@@H]1CCO1 527a_100020831831_200000688413 [0,1,0,1,0,0|2,0,0]=4 9521 B13R1.1054 C=C(C)CCC(=O)NNC1CCC1 22a_100000736358_200000688413 [0,1,0,1,0,0|2,0,0]=4 9522 B13R1.1054 CC(=O)NCC(=O)NCC1CCC1 11a_100000738700_100000194580 [0,1,0,1,0,0|2,0,0]=4 9523 B13R1.1054 CC(=O)NCC(=O)NCC1CCC1 1626a_100000738700_100000194580 [0,1,0,1,0,0|2,0,0]=4 9524 B13R1.1054 CC(=O)NCC(=O)NCC1CCC1 240690a_100000738700_100000194580 [0,1,0,1,0,0|2,0,0]=4 9525 B13R1.1054 CC(=O)NCC(=O)NCC1CCC1 527a_100000738700_100000194580 [0,1,0,1,0,0|2,0,0]=4 9526 B13R1.1054 CC(=O)NCC(=O)NCC1COC1 11a_100015281925_100000194580 [0,1,0,1,0,0|2,0,0]=4 9527 B13R1.1054 CC(=O)NCC(=O)NCC1COC1 1626a_100015281925_100000194580 [0,1,0,1,0,0|2,0,0]=4 9528 B13R1.1054 CC(=O)NCC(=O)NCC1COC1 240690a_100015281925_100000194580 [0,1,0,1,0,0|2,0,0]=4 9529 B13R1.1054 CC(=O)NCC(=O)NCC1COC1 527a_100015281925_100000194580 [0,1,0,1,0,0|2,0,0]=4 9530 B13R1.1054 CC(=O)NCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000194580 [0,1,0,1,0,0|2,0,0]=4 9531 B13R1.1054 CC(=O)NCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000194580 [0,1,0,1,0,0|2,0,0]=4 9532 B13R1.1054 CC(=O)NCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000194580 [0,1,0,1,0,0|2,0,0]=4 9533 B13R1.1054 CC(=O)NCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000194580 [0,1,0,1,0,0|2,0,0]=4 9534 B13R1.1054 CC(=O)NCC(=O)NNC1CCC1 22a_100000736358_100000194580 [0,1,0,1,0,0|2,0,0]=4 9535 B13R1.1054 CC(=O)OCC(=O)CNC1CCC1 34a_100000749019_100000036994 [0,1,0,1,0,0|2,0,0]=4 9536 B13R1.1054 CC(=O)OCC(=O)COC1CCC1 34a_100000748187_100000036994 [0,1,0,1,0,0|1,0,0]=3 9537 B13R1.1054 CC(=O)OCC(=O)CSC1CCC1 62a_100000036994_100000749161 [0,1,0,1,0,0|1,1,0]=4 9538 B13R1.1054 CC(=O)OCC(=O)NCC1CCC1 1626a_100000738700_100000183556 [0,1,0,1,0,0|2,0,0]=4 9539 B13R1.1054 CC(=O)OCC(=O)NCC1CCC1 240690a_100000738700_100000183556 [0,1,0,1,0,0|2,0,0]=4 9540 B13R1.1054 CC(=O)OCC(=O)NCC1CCC1 527a_100000738700_100000183556 [0,1,0,1,0,0|2,0,0]=4 9541 B13R1.1054 CC(=O)OCC(=O)NCC1COC1 1626a_100015281925_100000183556 [0,1,0,1,0,0|2,0,0]=4 9542 B13R1.1054 CC(=O)OCC(=O)NCC1COC1 240690a_100015281925_100000183556 [0,1,0,1,0,0|2,0,0]=4 9543 B13R1.1054 CC(=O)OCC(=O)NCC1COC1 527a_100015281925_100000183556 [0,1,0,1,0,0|2,0,0]=4 9544 B13R1.1054 CC(=O)OCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000183556 [0,1,0,1,0,0|2,0,0]=4 9545 B13R1.1054 CC(=O)OCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000183556 [0,1,0,1,0,0|2,0,0]=4 9546 B13R1.1054 CC(=O)OCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000183556 [0,1,0,1,0,0|2,0,0]=4 9547 B13R1.1054 CC(=O)OCC(=O)NNC1CCC1 22a_100000736358_100000183556 [0,1,0,1,0,0|2,0,0]=4 9548 B13R1.1054 CC(=O)SCC(=O)NCC1CCC1 11a_100000738700_100000049016 [0,1,0,1,0,0|2,0,0]=4 9549 B13R1.1054 CC(=O)SCC(=O)NCC1CCC1 1626a_100000738700_100000049016 [0,1,0,1,0,0|2,0,0]=4 9550 B13R1.1054 CC(=O)SCC(=O)NCC1CCC1 240690a_100000738700_100000049016 [0,1,0,1,0,0|2,0,0]=4 9551 B13R1.1054 CC(=O)SCC(=O)NCC1COC1 11a_100015281925_100000049016 [0,1,0,1,0,0|2,0,0]=4 9552 B13R1.1054 CC(=O)SCC(=O)NCC1COC1 1626a_100015281925_100000049016 [0,1,0,1,0,0|2,0,0]=4 9553 B13R1.1054 CC(=O)SCC(=O)NCC1COC1 240690a_100015281925_100000049016 [0,1,0,1,0,0|2,0,0]=4 9554 B13R1.1054 CC(=O)SCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000049016 [0,1,0,1,0,0|2,0,0]=4 9555 B13R1.1054 CC(=O)SCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000049016 [0,1,0,1,0,0|2,0,0]=4 9556 B13R1.1054 CC(=O)SCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000049016 [0,1,0,1,0,0|2,0,0]=4 9557 B13R1.1054 NC(=O)CCC(=O)NCC1CCC1 240690a_100000738700_100011215257 [0,1,0,1,0,0|2,0,0]=4 9558 B13R1.1054 NC(=O)CCC(=O)NCC1CCC1 527a_100000738700_100011215257 [0,1,0,1,0,0|2,0,0]=4 9559 B13R1.1054 NC(=O)CCC(=O)NCC1COC1 240690a_100015281925_100011215257 [0,1,0,1,0,0|2,0,0]=4 9560 B13R1.1054 NC(=O)CCC(=O)NCC1COC1 527a_100015281925_100011215257 [0,1,0,1,0,0|2,0,0]=4 9561 B13R1.1054 NC(=O)CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100011215257 [0,1,0,1,0,0|2,0,0]=4 9562 B13R1.1054 NC(=O)CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100011215257 [0,1,0,1,0,0|2,0,0]=4 9563 B13R1.1054 NC(=O)CCC(=O)NNC1CCC1 22a_100000736358_100011215257 [0,1,0,1,0,0|2,0,0]=4 9564 B13R1.3548 C=C1CC(C1)C(=O)NCC(C)CC 11a_100020588543_100000065620 [0,1,0,1,0,0|2,0,0]=4 9565 B13R1.3548 C=C1CC(C1)C(=O)NCC(C)CC 1626a_100020588543_100000065620 [0,1,0,1,0,0|2,0,0]=4 9566 B13R1.3548 C=C1CC(C1)C(=O)NCC(C)CC 240690a_100020588543_100000065620 [0,1,0,1,0,0|2,0,0]=4 9567 B13R1.3548 C=C1CC(C1)C(=O)NCC(C)CC 527a_100020588543_100000065620 [0,1,0,1,0,0|2,0,0]=4 9568 B13R1.3548 C=C1CC(C1)C(=O)NCC(O)CC 11a_100011218483_100000065620 [0,1,0,1,0,0|2,0,0]=4 9569 B13R1.3548 C=C1CC(C1)C(=O)NCC(O)CC 240690a_100011218483_100000065620 [0,1,0,1,0,0|2,0,0]=4 9570 B13R1.3548 C=C1CC(C1)C(=O)NCC(O)CC 527a_100011218483_100000065620 [0,1,0,1,0,0|2,0,0]=4 9571 B13R1.3548 CCC(C)CNC(=O)[C@@H]1CC(=O)N1 527a_100020588543_100016090685 [0,1,0,1,0,0|2,0,0]=4 9572 B13R1.3548 CCC(O)CNC(=O)[C@@H]1CC(=O)N1 527a_100011218483_100016090685 [0,1,0,1,0,0|2,0,0]=4 9573 B13R1.7758 C=C(C)CCC(=O)NCC1(CC1)C 11a_100000766693_200000688413 [0,1,0,1,0,0|2,0,0]=4 9574 B13R1.7758 C=C(C)CCC(=O)NCC1(CC1)C 1626a_100000766693_200000688413 [0,1,0,1,0,0|2,0,0]=4 9575 B13R1.7758 C=C(C)CCC(=O)NCC1(CC1)C 240690a_100000766693_200000688413 [0,1,0,1,0,0|2,0,0]=4 9576 B13R1.7758 C=C(C)CCC(=O)NCC1(CC1)C 527a_100000766693_200000688413 [0,1,0,1,0,0|2,0,0]=4 9577 B13R1.7758 C=C(C)CCC(=O)NCC1(CC1)O 11a_100011936951_200000688413 [0,1,0,1,0,0|2,0,0]=4 9578 B13R1.7758 C=C(C)CCC(=O)NCC1(CC1)O 240690a_100011936951_200000688413 [0,1,0,1,0,0|2,0,0]=4 9579 B13R1.7758 C=C(C)CCC(=O)NCC1(CC1)O 527a_100011936951_200000688413 [0,1,0,1,0,0|2,0,0]=4 9580 B13R1.7758 CC(=O)NCC(=O)NCC1(CC1)C 11a_100000766693_100000194580 [0,1,0,1,0,0|2,0,0]=4 9581 B13R1.7758 CC(=O)NCC(=O)NCC1(CC1)C 1626a_100000766693_100000194580 [0,1,0,1,0,0|2,0,0]=4 9582 B13R1.7758 CC(=O)NCC(=O)NCC1(CC1)C 240690a_100000766693_100000194580 [0,1,0,1,0,0|2,0,0]=4 9583 B13R1.7758 CC(=O)NCC(=O)NCC1(CC1)C 527a_100000766693_100000194580 [0,1,0,1,0,0|2,0,0]=4 9584 B13R1.7758 CC(=O)NCC(=O)NCC1(CC1)O 11a_100011936951_100000194580 [0,1,0,1,0,0|2,0,0]=4 9585 B13R1.7758 CC(=O)NCC(=O)NCC1(CC1)O 240690a_100011936951_100000194580 [0,1,0,1,0,0|2,0,0]=4 9586 B13R1.7758 CC(=O)NCC(=O)NCC1(CC1)O 527a_100011936951_100000194580 [0,1,0,1,0,0|2,0,0]=4 9587 B13R1.7758 CC(=O)OCC(=O)NCC1(CC1)C 1626a_100000766693_100000183556 [0,1,0,1,0,0|2,0,0]=4 9588 B13R1.7758 CC(=O)OCC(=O)NCC1(CC1)C 240690a_100000766693_100000183556 [0,1,0,1,0,0|2,0,0]=4 9589 B13R1.7758 CC(=O)OCC(=O)NCC1(CC1)C 527a_100000766693_100000183556 [0,1,0,1,0,0|2,0,0]=4 9590 B13R1.7758 CC(=O)OCC(=O)NCC1(CC1)O 240690a_100011936951_100000183556 [0,1,0,1,0,0|2,0,0]=4 9591 B13R1.7758 CC(=O)OCC(=O)NCC1(CC1)O 527a_100011936951_100000183556 [0,1,0,1,0,0|2,0,0]=4 9592 B13R1.7758 CC(=O)SCC(=O)NCC1(CC1)C 11a_100000766693_100000049016 [0,1,0,1,0,0|2,0,0]=4 9593 B13R1.7758 CC(=O)SCC(=O)NCC1(CC1)C 1626a_100000766693_100000049016 [0,1,0,1,0,0|2,0,0]=4 9594 B13R1.7758 CC(=O)SCC(=O)NCC1(CC1)C 240690a_100000766693_100000049016 [0,1,0,1,0,0|2,0,0]=4 9595 B13R1.7758 CC(=O)SCC(=O)NCC1(CC1)O 11a_100011936951_100000049016 [0,1,0,1,0,0|2,0,0]=4 9596 B13R1.7758 CC(=O)SCC(=O)NCC1(CC1)O 240690a_100011936951_100000049016 [0,1,0,1,0,0|2,0,0]=4 9597 B13R1.7758 CC1(CC1)CNC(=O)CCC(=O)N 240690a_100000766693_100011215257 [0,1,0,1,0,0|2,0,0]=4 9598 B13R1.7758 CC1(CC1)CNC(=O)CCC(=O)N 527a_100000766693_100011215257 [0,1,0,1,0,0|2,0,0]=4 9599 B13R1.7758 NC(=O)CCC(=O)NCC1(CC1)O 240690a_100011936951_100011215257 [0,1,0,1,0,0|2,0,0]=4 9600 B13R1.7758 NC(=O)CCC(=O)NCC1(CC1)O 527a_100011936951_100011215257 [0,1,0,1,0,0|2,0,0]=4 9601 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [0,1,0,1,0,0|1,0,1]=4 9602 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [0,1,0,1,0,0|1,0,1]=4 9603 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [0,1,0,1,0,0|1,0,1]=4 9604 B13R1.9 CCOCCOC1CCC(=O)CC1 34a_100000764474_100000210147 [0,1,0,1,0,0|1,0,1]=4 9605 B13R1.9 CCOCCOC1CCC(=O)CC1 7a_100000764474_100011215890 [0,1,0,1,0,0|1,0,1]=4 9606 B13R1.9 CCSCCOC1CCC(=O)CC1 34a_100000764474_100000757381 [0,1,0,1,0,0|1,0,1]=4 9607 B13R1.9 CCSCCOC1CCC(=O)CC1 7a_100000764474_100000757381 [0,1,0,1,0,0|1,0,1]=4 9608 B13R1.9 COCCCOC1CCC(=O)CC1 34a_100000764474_100000740836 [0,1,0,1,0,0|1,0,1]=4 9609 B13R1.9 COCCCOC1CCC(=O)CC1 7a_100000764474_100000740836 [0,1,0,1,0,0|1,0,1]=4 9610 B13R1.9 O=C1CCC(CC1)OCCCCF 34a_100000764474_100000729493 [0,1,0,1,0,0|1,0,1]=4 9611 B13R1.9 O=C1CCC(CC1)OCCCCF 7a_100000764474_100000729493 [0,1,0,1,0,0|1,0,1]=4 9612 B13R1.9 O=C1CCC(CC1)OCCCCO 34a_100000764474_100011216708 [0,1,0,1,0,0|1,0,1]=4 9613 B13R1.9 O=C1CCC(CC1)OCCCCO 7a_100000764474_100000210776 [0,1,0,1,0,0|1,0,1]=4 9614 B13R1.168 C=C(C)CCC(=O)C1CCCC1C 1458a_100000690547_100000730704 [0,1,0,1,0,0|2,0,0]=4 9615 B13R1.168 C=C(C)CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_200000688413 [0,1,0,1,0,0|2,0,0]=4 9616 B13R1.168 C=C(C)CCC(=O)N1CCC[C@@H]1C 527a_100020605311_200000688413 [0,1,0,1,0,0|2,0,0]=4 9617 B13R1.168 C=C(C)CCC(=O)N1CCC[C@H]1C 11a_100015189458_200000688413 [0,1,0,1,0,0|2,0,0]=4 9618 B13R1.168 C=C(C)CCC(=O)N1CCC[C@H]1C 240690a_100015189458_200000688413 [0,1,0,1,0,0|2,0,0]=4 9619 B13R1.168 C=C(C)CCC(=O)N1CCC[C@H]1C 527a_100015189458_200000688413 [0,1,0,1,0,0|2,0,0]=4 9620 B13R1.168 C=C(C)CCC(=O)N1CCSC1C 11a_200011216479_200000688413 [0,1,0,1,0,0|2,0,0]=4 9621 B13R1.168 C=C(C)CCC(=O)N1CCSC1C 1626a_200011216479_200000688413 [0,1,0,1,0,0|2,0,0]=4 9622 B13R1.168 C=C(C)CCC(=O)N1CCSC1C 240690a_200011216479_200000688413 [0,1,0,1,0,0|2,0,0]=4 9623 B13R1.168 C=C(C)CCC(=O)N1CCSC1C 527a_200011216479_200000688413 [0,1,0,1,0,0|2,0,0]=4 9624 B13R1.168 C=C(C)CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000730704 [0,1,0,1,0,0|2,0,0]=4 9625 B13R1.168 CC(=O)NCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000194580 [0,1,0,1,0,0|2,0,0]=4 9626 B13R1.168 CC(=O)NCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000194580 [0,1,0,1,0,0|2,0,0]=4 9627 B13R1.168 CC(=O)NCC(=O)N1CCC[C@H]1C 11a_100015189458_100000194580 [0,1,0,1,0,0|2,0,0]=4 9628 B13R1.168 CC(=O)NCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000194580 [0,1,0,1,0,0|2,0,0]=4 9629 B13R1.168 CC(=O)NCC(=O)N1CCC[C@H]1C 527a_100015189458_100000194580 [0,1,0,1,0,0|2,0,0]=4 9630 B13R1.168 CC(=O)NCC(=O)N1CCSC1C 11a_200011216479_100000194580 [0,1,0,1,0,0|2,0,0]=4 9631 B13R1.168 CC(=O)NCC(=O)N1CCSC1C 1626a_200011216479_100000194580 [0,1,0,1,0,0|2,0,0]=4 9632 B13R1.168 CC(=O)NCC(=O)N1CCSC1C 240690a_200011216479_100000194580 [0,1,0,1,0,0|2,0,0]=4 9633 B13R1.168 CC(=O)NCC(=O)N1CCSC1C 527a_200011216479_100000194580 [0,1,0,1,0,0|2,0,0]=4 9634 B13R1.168 CC(=O)OCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000183556 [0,1,0,1,0,0|2,0,0]=4 9635 B13R1.168 CC(=O)OCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000183556 [0,1,0,1,0,0|2,0,0]=4 9636 B13R1.168 CC(=O)OCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000183556 [0,1,0,1,0,0|2,0,0]=4 9637 B13R1.168 CC(=O)OCC(=O)N1CCC[C@H]1C 527a_100015189458_100000183556 [0,1,0,1,0,0|2,0,0]=4 9638 B13R1.168 CC(=O)OCC(=O)N1CCSC1C 1626a_200011216479_100000183556 [0,1,0,1,0,0|2,0,0]=4 9639 B13R1.168 CC(=O)OCC(=O)N1CCSC1C 240690a_200011216479_100000183556 [0,1,0,1,0,0|2,0,0]=4 9640 B13R1.168 CC(=O)OCC(=O)N1CCSC1C 527a_200011216479_100000183556 [0,1,0,1,0,0|2,0,0]=4 9641 B13R1.168 CC(=O)SCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000049016 [0,1,0,1,0,0|2,0,0]=4 9642 B13R1.168 CC(=O)SCC(=O)N1CCC[C@H]1C 11a_100015189458_100000049016 [0,1,0,1,0,0|2,0,0]=4 9643 B13R1.168 CC(=O)SCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000049016 [0,1,0,1,0,0|2,0,0]=4 9644 B13R1.168 CC(=O)SCC(=O)N1CCSC1C 11a_200011216479_100000049016 [0,1,0,1,0,0|2,0,0]=4 9645 B13R1.168 CC(=O)SCC(=O)N1CCSC1C 1626a_200011216479_100000049016 [0,1,0,1,0,0|2,0,0]=4 9646 B13R1.168 CC(=O)SCC(=O)N1CCSC1C 240690a_200011216479_100000049016 [0,1,0,1,0,0|2,0,0]=4 9647 B13R1.168 CC1SCCN1C(=O)CCC(=O)N 240690a_200011216479_100011215257 [0,1,0,1,0,0|2,0,0]=4 9648 B13R1.168 CC1SCCN1C(=O)CCC(=O)N 527a_200011216479_100011215257 [0,1,0,1,0,0|2,0,0]=4 9649 B13R1.168 C[C@@H]1CCCN1C(=O)CCC(=O)N 240690a_100015189458_100011215257 [0,1,0,1,0,0|2,0,0]=4 9650 B13R1.168 C[C@@H]1CCCN1C(=O)CCC(=O)N 527a_100015189458_100011215257 [0,1,0,1,0,0|2,0,0]=4 9651 B13R1.168 C[C@H]1CCCN1C(=O)CCC(=O)N 240690a_100020605311_100011215257 [0,1,0,1,0,0|2,0,0]=4 9652 B13R1.168 C[C@H]1CCCN1C(=O)CCC(=O)N 527a_100020605311_100011215257 [0,1,0,1,0,0|2,0,0]=4 9653 B13R1.344 C=C(C)CCC(=O)C=C1CCCC1 1458a_100000743260_100000730704 [0,1,0,1,0,0|2,0,0]=4 9654 B13R1.344 C=C(C)CCC(=O)CC1CCCC1 1458a_100000210891_100000730704 [0,1,0,1,0,0|2,0,0]=4 9655 B13R1.344 C=C(C)CCC(=O)CC1CCCC1 1458a_200000688413_100000740388 [0,1,0,1,0,0|2,0,0]=4 9656 B13R1.344 C=C(C)CCC(=O)CC1CCCO1 1458a_200000688413_100000203698 [0,1,0,1,0,0|2,0,0]=4 9657 B13R1.344 C=C(C)CCC(=O)CC1CCOC1 1458a_100011218419_100000730704 [0,1,0,1,0,0|2,0,0]=4 9658 B13R1.344 C=C(C)CCC(=O)CC1CCOC1 1458a_200000688413_100000702531 [0,1,0,1,0,0|2,0,0]=4 9659 B13R1.344 C=C(C)CCC(=O)CN1CCCC1 1458a_100000740243_100000730704 [0,1,0,1,0,0|2,0,0]=4 9660 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 11a_100000211070_200000688413 [0,1,0,1,0,0|2,0,0]=4 9661 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 1626a_100000211070_200000688413 [0,1,0,1,0,0|2,0,0]=4 9662 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 240690a_100000211070_200000688413 [0,1,0,1,0,0|2,0,0]=4 9663 B13R1.344 C=C(C)CCC(=O)NC1CCCC1 527a_100000211070_200000688413 [0,1,0,1,0,0|2,0,0]=4 9664 B13R1.344 C=C(C)CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_200000688413 [0,1,0,1,0,0|2,0,0]=4 9665 B13R1.344 C=C(C)CCC(=O)N[C@@H]1CCOC1 527a_200015188469_200000688413 [0,1,0,1,0,0|2,0,0]=4 9666 B13R1.344 C=C(C)CCC(=O)N[C@H]1CCOC1 11a_100015188467_200000688413 [0,1,0,1,0,0|2,0,0]=4 9667 B13R1.344 C=C(C)CCC(=O)N[C@H]1CCOC1 1626a_100015188467_200000688413 [0,1,0,1,0,0|2,0,0]=4 9668 B13R1.344 C=C(C)CCC(=O)N[C@H]1CCOC1 240690a_100015188467_200000688413 [0,1,0,1,0,0|2,0,0]=4 9669 B13R1.344 C=C(C)CCC(=O)N[C@H]1CCOC1 527a_100015188467_200000688413 [0,1,0,1,0,0|2,0,0]=4 9670 B13R1.344 CC(=O)CCC(=O)NC1CCCC1 1458a_100000070787_100000743710 [0,1,0,1,0,0|1,0,0]=3 9671 B13R1.344 CC(=O)CCC(=O)NC1CCCC1 1458a_100000199707_200000210301 [0,1,0,1,0,0|1,0,0]=3 9672 B13R1.344 CC(=O)NCC(=O)CC1CCCC1 1458a_100000194580_100000740388 [0,1,0,1,0,0|2,0,0]=4 9673 B13R1.344 CC(=O)NCC(=O)CC1CCCO1 1458a_100000194580_100000203698 [0,1,0,1,0,0|2,0,0]=4 9674 B13R1.344 CC(=O)NCC(=O)CC1CCOC1 1458a_100000194580_100000702531 [0,1,0,1,0,0|2,0,0]=4 9675 B13R1.344 CC(=O)NCC(=O)NC1CCCC1 11a_100000211070_100000194580 [0,1,0,1,0,0|2,0,0]=4 9676 B13R1.344 CC(=O)NCC(=O)NC1CCCC1 11a_100000747513_100015343762 [0,1,0,1,0,0|2,0,0]=4 9677 B13R1.344 CC(=O)NCC(=O)NC1CCCC1 1626a_100000211070_100000194580 [0,1,0,1,0,0|2,0,0]=4 9678 B13R1.344 CC(=O)NCC(=O)NC1CCCC1 1626a_100000747513_100015343762 [0,1,0,1,0,0|2,0,0]=4 9679 B13R1.344 CC(=O)NCC(=O)NC1CCCC1 240690a_100000211070_100000194580 [0,1,0,1,0,0|2,0,0]=4 9680 B13R1.344 CC(=O)NCC(=O)NC1CCCC1 240690a_100000747513_100015343762 [0,1,0,1,0,0|2,0,0]=4 9681 B13R1.344 CC(=O)NCC(=O)NC1CCCC1 527a_100000211070_100000194580 [0,1,0,1,0,0|2,0,0]=4 9682 B13R1.344 CC(=O)NCC(=O)NC1CCCC1 527a_100000747513_100103153847 [0,1,0,1,0,0|2,0,0]=4 9683 B13R1.344 CC(=O)NCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000194580 [0,1,0,1,0,0|2,0,0]=4 9684 B13R1.344 CC(=O)NCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000194580 [0,1,0,1,0,0|2,0,0]=4 9685 B13R1.344 CC(=O)NCC(=O)N[C@H]1CCOC1 11a_100015188467_100000194580 [0,1,0,1,0,0|2,0,0]=4 9686 B13R1.344 CC(=O)NCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000194580 [0,1,0,1,0,0|2,0,0]=4 9687 B13R1.344 CC(=O)NCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000194580 [0,1,0,1,0,0|2,0,0]=4 9688 B13R1.344 CC(=O)NCC(=O)N[C@H]1CCOC1 527a_100015188467_100000194580 [0,1,0,1,0,0|2,0,0]=4 9689 B13R1.344 CC(=O)OCC(=O)CC1CCCC1 1458a_100000183556_100000740388 [0,1,0,1,0,0|2,0,0]=4 9690 B13R1.344 CC(=O)OCC(=O)CC1CCCO1 1458a_100000183556_100000203698 [0,1,0,1,0,0|2,0,0]=4 9691 B13R1.344 CC(=O)OCC(=O)CC1CCOC1 1458a_100000183556_100000702531 [0,1,0,1,0,0|2,0,0]=4 9692 B13R1.344 CC(=O)OCC(=O)CN1CCCC1 269982a_100000188435_100000036994 [0,1,0,1,0,0|2,0,0]=4 9693 B13R1.344 CC(=O)OCC(=O)NC1CCCC1 1626a_100000211070_100000183556 [0,1,0,1,0,0|2,0,0]=4 9694 B13R1.344 CC(=O)OCC(=O)NC1CCCC1 240690a_100000211070_100000183556 [0,1,0,1,0,0|2,0,0]=4 9695 B13R1.344 CC(=O)OCC(=O)NC1CCCC1 527a_100000211070_100000183556 [0,1,0,1,0,0|2,0,0]=4 9696 B13R1.344 CC(=O)OCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000183556 [0,1,0,1,0,0|2,0,0]=4 9697 B13R1.344 CC(=O)OCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000183556 [0,1,0,1,0,0|2,0,0]=4 9698 B13R1.344 CC(=O)OCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000183556 [0,1,0,1,0,0|2,0,0]=4 9699 B13R1.344 CC(=O)OCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000183556 [0,1,0,1,0,0|2,0,0]=4 9700 B13R1.344 CC(=O)OCC(=O)N[C@H]1CCOC1 527a_100015188467_100000183556 [0,1,0,1,0,0|2,0,0]=4 9701 B13R1.344 CC(=O)SCC(=O)CC1CCCC1 1458a_100000049016_100000740388 [0,1,0,1,0,0|2,0,0]=4 9702 B13R1.344 CC(=O)SCC(=O)CC1CCCO1 1458a_100000049016_100000203698 [0,1,0,1,0,0|2,0,0]=4 9703 B13R1.344 CC(=O)SCC(=O)CC1CCOC1 1458a_100000049016_100000702531 [0,1,0,1,0,0|2,0,0]=4 9704 B13R1.344 CC(=O)SCC(=O)NC1CCCC1 11a_100000211070_100000049016 [0,1,0,1,0,0|2,0,0]=4 9705 B13R1.344 CC(=O)SCC(=O)NC1CCCC1 1626a_100000211070_100000049016 [0,1,0,1,0,0|2,0,0]=4 9706 B13R1.344 CC(=O)SCC(=O)NC1CCCC1 240690a_100000211070_100000049016 [0,1,0,1,0,0|2,0,0]=4 9707 B13R1.344 CC(=O)SCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000049016 [0,1,0,1,0,0|2,0,0]=4 9708 B13R1.344 CC(=O)SCC(=O)N[C@H]1CCOC1 11a_100015188467_100000049016 [0,1,0,1,0,0|2,0,0]=4 9709 B13R1.344 CC(=O)SCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000049016 [0,1,0,1,0,0|2,0,0]=4 9710 B13R1.344 CC(=O)SCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000049016 [0,1,0,1,0,0|2,0,0]=4 9711 B13R1.344 NC(=O)CCC(=O)CC1CCCC1 1458a_100011215257_100000740388 [0,1,0,1,0,0|2,0,0]=4 9712 B13R1.344 NC(=O)CCC(=O)CC1CCCO1 1458a_100011215257_100000203698 [0,1,0,1,0,0|2,0,0]=4 9713 B13R1.344 NC(=O)CCC(=O)CC1CCOC1 1458a_100011215257_100000702531 [0,1,0,1,0,0|2,0,0]=4 9714 B13R1.344 NC(=O)CCC(=O)NC1CCCC1 240690a_100000211070_100011215257 [0,1,0,1,0,0|2,0,0]=4 9715 B13R1.344 NC(=O)CCC(=O)NC1CCCC1 527a_100000211070_100011215257 [0,1,0,1,0,0|2,0,0]=4 9716 B13R1.344 NC(=O)CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100011215257 [0,1,0,1,0,0|2,0,0]=4 9717 B13R1.344 NC(=O)CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100011215257 [0,1,0,1,0,0|2,0,0]=4 9718 B13R1.344 NC(=O)CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100011215257 [0,1,0,1,0,0|2,0,0]=4 9719 B13R1.344 NC(=O)CCC(=O)N[C@H]1CCOC1 527a_100015188467_100011215257 [0,1,0,1,0,0|2,0,0]=4 9720 B13R1.344 [13CH3]C(=O)CCC(=O)NC1CCCC1 1458a_100000199707_200025704644 [0,1,0,1,0,0|1,0,0]=3 9721 B13R1.2917 CCCCOCC(=O)CCC1CC1 1458a_100000756386_100011995733 [0,1,0,1,0,0|1,0,1]=4 9722 B13R1.2917 CCCCOCC(=O)CCC1CC1 1458a_100000757543_100000694398 [0,1,0,1,0,0|1,0,1]=4 9723 B13R1.2917 CCCCOCC(=O)CCC1CO1 1458a_100000757543_100000732470 [0,1,0,1,0,0|0,0,2]=4 9724 B13R1.2919 C=C1CC(C1)C(=O)CCCCCC 1458a_100000065620_100000210757 [0,1,0,1,0,0|2,0,0]=4 9725 B13R1.2919 C=C1CC(C1)C(=O)CCCCCF 1458a_100000065620_100000729378 [0,1,0,1,0,0|2,0,0]=4 9726 B13R1.2919 C=C1CC(C1)C(=O)CCCCCO 1458a_100000065620_100000746330 [0,1,0,1,0,0|2,0,0]=4 9727 B13R1.2919 C=C1CC(C1)C(=O)CCCCOC 1458a_100000065620_100000755781 [0,1,0,1,0,0|2,0,0]=4 9728 B13R1.2919 C=C1CC(C1)C(=O)CCCOCC 1458a_100000065620_100012232248 [0,1,0,1,0,0|2,0,0]=4 9729 B13R1.2919 C=C1CC(C1)C(=O)CCOCCC 1458a_100000065620_100011215938 [0,1,0,1,0,0|2,0,0]=4 9730 B13R1.2919 C=C1CC(C1)C(=O)COCCCC 1458a_100000065620_100011995733 [0,1,0,1,0,0|1,0,0]=3 9731 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC 11a_100000209983_100000065620 [0,1,0,1,0,0|2,0,0]=4 9732 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC 1626a_100000209983_100000065620 [0,1,0,1,0,0|2,0,0]=4 9733 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC 240690a_100000209983_100000065620 [0,1,0,1,0,0|2,0,0]=4 9734 B13R1.2919 C=C1CC(C1)C(=O)NCCCCC 527a_100000209983_100000065620 [0,1,0,1,0,0|2,0,0]=4 9735 B13R1.2919 C=C1CC(C1)C(=O)NCCCCO 240690a_100000750430_100000065620 [0,1,0,1,0,0|2,0,0]=4 9736 B13R1.2919 C=C1CC(C1)C(=O)NCCCCO 527a_100000750430_100000065620 [0,1,0,1,0,0|2,0,0]=4 9737 B13R1.2919 C=C1CC(C1)C(=O)NCCCOC 1626a_100150723488_100000065620 [0,1,0,1,0,0|2,0,0]=4 9738 B13R1.2919 C=C1CC(C1)C(=O)NCCCOC 240690a_100150723488_100000065620 [0,1,0,1,0,0|2,0,0]=4 9739 B13R1.2919 C=C1CC(C1)C(=O)NCCCOC 527a_100150723488_100000065620 [0,1,0,1,0,0|2,0,0]=4 9740 B13R1.2919 C=C1CC(C1)C(=O)NCCCSC 11a_100000749238_100000065620 [0,1,0,1,0,0|2,0,0]=4 9741 B13R1.2919 C=C1CC(C1)C(=O)NCCCSC 1626a_100000749238_100000065620 [0,1,0,1,0,0|2,0,0]=4 9742 B13R1.2919 C=C1CC(C1)C(=O)NCCCSC 240690a_100000749238_100000065620 [0,1,0,1,0,0|2,0,0]=4 9743 B13R1.2919 C=C1CC(C1)C(=O)NCCCSC 527a_100000749238_100000065620 [0,1,0,1,0,0|2,0,0]=4 9744 B13R1.2919 C=C1CC(C1)C(=O)NCCOCC 11a_100011200944_100000065620 [0,1,0,1,0,0|2,0,0]=4 9745 B13R1.2919 C=C1CC(C1)C(=O)NCCOCC 1626a_102516460346_100000065620 [0,1,0,1,0,0|2,0,0]=4 9746 B13R1.2919 C=C1CC(C1)C(=O)NCCOCC 240690a_100011200944_100000065620 [0,1,0,1,0,0|2,0,0]=4 9747 B13R1.2919 C=C1CC(C1)C(=O)NCCOCC 527a_100011200944_100000065620 [0,1,0,1,0,0|2,0,0]=4 9748 B13R1.2919 C=C1CC(C1)C(=O)NCCSCC 11a_100000106463_100000065620 [0,1,0,1,0,0|2,0,0]=4 9749 B13R1.2919 C=C1CC(C1)C(=O)NCCSCC 1626a_100000106463_100000065620 [0,1,0,1,0,0|2,0,0]=4 9750 B13R1.2919 C=C1CC(C1)C(=O)NCCSCC 240690a_100000106463_100000065620 [0,1,0,1,0,0|2,0,0]=4 9751 B13R1.2919 C=C1CC(C1)C(=O)NCCSCC 527a_100000106463_100000065620 [0,1,0,1,0,0|2,0,0]=4 9752 B13R1.2919 C=C1CC(C1)C(=O)NNCCCC 22a_100025702795_100000065620 [0,1,0,1,0,0|2,0,0]=4 9753 B13R1.2919 CCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210757 [0,1,0,1,0,0|2,0,0]=4 9754 B13R1.2919 CCCCCNC(=O)[C@@H]1CC(=O)N1 527a_100000209983_100016090685 [0,1,0,1,0,0|2,0,0]=4 9755 B13R1.2919 CCCCNNC(=O)[C@@H]1CC(=O)N1 22a_100025702795_100016090685 [0,1,0,1,0,0|2,0,0]=4 9756 B13R1.2919 CCCCOCC(=O)C1CC(C1)C 1458a_100000686124_100011995733 [0,1,0,1,0,0|1,0,1]=4 9757 B13R1.2919 CCCCOCC(=O)C1CC(C1)F 1458a_100000062598_100011995733 [0,1,0,1,0,0|1,0,1]=4 9758 B13R1.2919 CCCCOCC(=O)C1CN(C1)C 1458a_100012002723_100011995733 [0,1,0,1,0,0|2,0,0]=4 9759 B13R1.2919 CCCCOCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011995733 [0,1,0,1,0,0|1,0,0]=3 9760 B13R1.2919 CCCCOCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100011995733 [0,1,0,1,0,0|0,0,2]=4 9761 B13R1.2919 CCCOCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011215938 [0,1,0,1,0,0|2,0,0]=4 9762 B13R1.2919 CCOCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100012232248 [0,1,0,1,0,0|2,0,0]=4 9763 B13R1.2919 CCOCCNC(=O)[C@@H]1CC(=O)N1 527a_100011200944_100016090685 [0,1,0,1,0,0|2,0,0]=4 9764 B13R1.2919 CCSCCNC(=O)[C@@H]1CC(=O)N1 527a_100000106463_100016090685 [0,1,0,1,0,0|2,0,0]=4 9765 B13R1.2919 COCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000755781 [0,1,0,1,0,0|2,0,0]=4 9766 B13R1.2919 COCCCNC(=O)[C@@H]1CC(=O)N1 527a_100150723488_100016090685 [0,1,0,1,0,0|2,0,0]=4 9767 B13R1.2919 CSCCCNC(=O)[C@@H]1CC(=O)N1 527a_100000749238_100016090685 [0,1,0,1,0,0|2,0,0]=4 9768 B13R1.2919 O=C1C[C@H](N1)C(=O)CCCCCF 1458a_100016090685_100000729378 [0,1,0,1,0,0|2,0,0]=4 9769 B13R1.2919 O=C1C[C@H](N1)C(=O)CCCCCO 1458a_100016090685_100000746330 [0,1,0,1,0,0|2,0,0]=4 9770 B13R1.2919 O=C1C[C@H](N1)C(=O)NCCCCO 527a_100000750430_100016090685 [0,1,0,1,0,0|2,0,0]=4 9771 B13R1.6343 CCCCOCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011995733 [0,1,0,1,0,0|1,0,1]=4 9772 B13R1.19 CCCC(C)OC1CCC(=O)CC1 34a_100000764474_100000766640 [0,1,0,1,0,0|1,0,1]=4 9773 B13R1.19 CCCC(C)OC1CCC(=O)CC1 7a_100000764474_100000766640 [0,1,0,1,0,0|1,0,1]=4 9774 B13R1.2849 C=C1CC(C1)C(=O)CC(C)CCC 1458a_100000065620_100011216630 [0,1,0,1,0,0|2,0,0]=4 9775 B13R1.2849 C=C1CC(C1)C(=O)NC(C)CCC 11a_100000741246_100000065620 [0,1,0,1,0,0|2,0,0]=4 9776 B13R1.2849 C=C1CC(C1)C(=O)NC(C)CCC 1626a_100000741246_100000065620 [0,1,0,1,0,0|2,0,0]=4 9777 B13R1.2849 C=C1CC(C1)C(=O)NC(C)CCC 240690a_100000741246_100000065620 [0,1,0,1,0,0|2,0,0]=4 9778 B13R1.2849 C=C1CC(C1)C(=O)NC(C)CCC 527a_100000741246_100000065620 [0,1,0,1,0,0|2,0,0]=4 9779 B13R1.2849 CCCC(C)CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011216630 [0,1,0,1,0,0|2,0,0]=4 9780 B13R1.2849 CCCC(C)NC(=O)[C@@H]1CC(=O)N1 527a_100000741246_100016090685 [0,1,0,1,0,0|2,0,0]=4 9781 B13R1.6301 C=C(C)CCC(=O)CC1(CCC1)C 1458a_200000688413_100000726658 [0,1,0,1,0,0|2,0,0]=4 9782 B13R1.6301 C=C(C)CCC(=O)NC1(CCC1)C 11a_100000692455_200000688413 [0,1,0,1,0,0|2,0,0]=4 9783 B13R1.6301 C=C(C)CCC(=O)NC1(CCC1)C 1626a_100000692455_200000688413 [0,1,0,1,0,0|2,0,0]=4 9784 B13R1.6301 C=C(C)CCC(=O)NC1(CCC1)C 240690a_100000692455_200000688413 [0,1,0,1,0,0|2,0,0]=4 9785 B13R1.6301 C=C(C)CCC(=O)NC1(CCC1)C 527a_100000692455_200000688413 [0,1,0,1,0,0|2,0,0]=4 9786 B13R1.6301 CC(=O)NCC(=O)CC1(CCC1)C 1458a_100000194580_100000726658 [0,1,0,1,0,0|2,0,0]=4 9787 B13R1.6301 CC(=O)NCC(=O)NC1(CCC1)C 11a_100000692455_100000194580 [0,1,0,1,0,0|2,0,0]=4 9788 B13R1.6301 CC(=O)NCC(=O)NC1(CCC1)C 1626a_100000692455_100000194580 [0,1,0,1,0,0|2,0,0]=4 9789 B13R1.6301 CC(=O)NCC(=O)NC1(CCC1)C 240690a_100000692455_100000194580 [0,1,0,1,0,0|2,0,0]=4 9790 B13R1.6301 CC(=O)NCC(=O)NC1(CCC1)C 527a_100000692455_100000194580 [0,1,0,1,0,0|2,0,0]=4 9791 B13R1.6301 CC(=O)OCC(=O)CC1(CCC1)C 1458a_100000183556_100000726658 [0,1,0,1,0,0|2,0,0]=4 9792 B13R1.6301 CC(=O)OCC(=O)NC1(CCC1)C 1626a_100000692455_100000183556 [0,1,0,1,0,0|2,0,0]=4 9793 B13R1.6301 CC(=O)OCC(=O)NC1(CCC1)C 240690a_100000692455_100000183556 [0,1,0,1,0,0|2,0,0]=4 9794 B13R1.6301 CC(=O)OCC(=O)NC1(CCC1)C 527a_100000692455_100000183556 [0,1,0,1,0,0|2,0,0]=4 9795 B13R1.6301 CC(=O)SCC(=O)CC1(CCC1)C 1458a_100000049016_100000726658 [0,1,0,1,0,0|2,0,0]=4 9796 B13R1.6301 CC(=O)SCC(=O)NC1(CCC1)C 11a_100000692455_100000049016 [0,1,0,1,0,0|2,0,0]=4 9797 B13R1.6301 CC(=O)SCC(=O)NC1(CCC1)C 1626a_100000692455_100000049016 [0,1,0,1,0,0|2,0,0]=4 9798 B13R1.6301 CC(=O)SCC(=O)NC1(CCC1)C 240690a_100000692455_100000049016 [0,1,0,1,0,0|2,0,0]=4 9799 B13R1.6301 CC1(CCC1)CC(=O)CCC(=O)N 1458a_100011215257_100000726658 [0,1,0,1,0,0|2,0,0]=4 9800 B13R1.6301 CC1(CCC1)NC(=O)CCC(=O)N 240690a_100000692455_100011215257 [0,1,0,1,0,0|2,0,0]=4 9801 B13R1.6301 CC1(CCC1)NC(=O)CCC(=O)N 527a_100000692455_100011215257 [0,1,0,1,0,0|2,0,0]=4 9802 B13R1.7748 C=C(C)CCC(=O)NC(C)C1CC1 11a_100000700016_200000688413 [0,1,0,1,0,0|2,0,0]=4 9803 B13R1.7748 C=C(C)CCC(=O)NC(C)C1CC1 1626a_100000700016_200000688413 [0,1,0,1,0,0|2,0,0]=4 9804 B13R1.7748 C=C(C)CCC(=O)NC(C)C1CC1 240690a_100000700016_200000688413 [0,1,0,1,0,0|2,0,0]=4 9805 B13R1.7748 C=C(C)CCC(=O)NC(C)C1CC1 527a_100000700016_200000688413 [0,1,0,1,0,0|2,0,0]=4 9806 B13R1.7748 CC(=O)NCC(=O)NC(C)C1CC1 11a_100000700016_100000194580 [0,1,0,1,0,0|2,0,0]=4 9807 B13R1.7748 CC(=O)NCC(=O)NC(C)C1CC1 1626a_100000700016_100000194580 [0,1,0,1,0,0|2,0,0]=4 9808 B13R1.7748 CC(=O)NCC(=O)NC(C)C1CC1 240690a_100000700016_100000194580 [0,1,0,1,0,0|2,0,0]=4 9809 B13R1.7748 CC(=O)NCC(=O)NC(C)C1CC1 527a_100000700016_100000194580 [0,1,0,1,0,0|2,0,0]=4 9810 B13R1.7748 CC(=O)OCC(=O)NC(C)C1CC1 1626a_100000700016_100000183556 [0,1,0,1,0,0|2,0,0]=4 9811 B13R1.7748 CC(=O)OCC(=O)NC(C)C1CC1 240690a_100000700016_100000183556 [0,1,0,1,0,0|2,0,0]=4 9812 B13R1.7748 CC(=O)OCC(=O)NC(C)C1CC1 527a_100000700016_100000183556 [0,1,0,1,0,0|2,0,0]=4 9813 B13R1.7748 CC(=O)SCC(=O)NC(C)C1CC1 11a_100000700016_100000049016 [0,1,0,1,0,0|2,0,0]=4 9814 B13R1.7748 CC(=O)SCC(=O)NC(C)C1CC1 1626a_100000700016_100000049016 [0,1,0,1,0,0|2,0,0]=4 9815 B13R1.7748 CC(=O)SCC(=O)NC(C)C1CC1 240690a_100000700016_100000049016 [0,1,0,1,0,0|2,0,0]=4 9816 B13R1.7748 CC(NC(=O)CCC(=O)N)C1CC1 240690a_100000700016_100011215257 [0,1,0,1,0,0|2,0,0]=4 9817 B13R1.7748 CC(NC(=O)CCC(=O)N)C1CC1 527a_100000700016_100011215257 [0,1,0,1,0,0|2,0,0]=4 9818 B13R1.2291 CCC1CC1C(=O)CCS(=O)(=O)C 1458a_200011661523_100000731031 [0,1,0,1,0,0|2,0,0]=4 9819 B13R1.2780 CS(=O)(=O)CCC(=O)C1CCCC1 1458a_100000210718_100000731031 [0,1,0,1,0,0|2,0,0]=4 9820 B13R1.2780 CS(=O)(=O)CCC(=O)C1CCCC1 1458a_100000737124_100000179811 [0,1,0,1,0,0|2,0,0]=4 9821 B13R1.2780 CS(=O)(=O)CCC(=O)N1CCCC1 240690a_100000188435_100000737124 [0,1,0,1,0,0|2,0,0]=4 9822 B13R1.2780 CS(=O)(=O)CCC(=O)N1CCCC1 527a_100000188435_100000737124 [0,1,0,1,0,0|2,0,0]=4 9823 B13R1.3698 CC1CCN1C(=O)CCS(=O)(=O)C 11a_100000755817_100000737124 [0,1,0,1,0,0|2,0,0]=4 9824 B13R1.3698 CC1CCN1C(=O)CCS(=O)(=O)C 240690a_100000755817_100000737124 [0,1,0,1,0,0|2,0,0]=4 9825 B13R1.3698 CC1CCN1C(=O)CCS(=O)(=O)C 527a_100000755817_100000737124 [0,1,0,1,0,0|2,0,0]=4 9826 B13R1.5839 CS(=O)(=O)CCC(=O)CC1CCC1 1458a_100000737124_100000763275 [0,1,0,1,0,0|2,0,0]=4 9827 B13R1.5839 CS(=O)(=O)CCC(=O)CC1CCC1 1458a_100000763092_100000731031 [0,1,0,1,0,0|2,0,0]=4 9828 B13R1.5839 CS(=O)(=O)CCC(=O)NC1CCC1 11a_100000749019_100000737124 [0,1,0,1,0,0|2,0,0]=4 9829 B13R1.5839 CS(=O)(=O)CCC(=O)NC1CCC1 1626a_100000749019_100000737124 [0,1,0,1,0,0|2,0,0]=4 9830 B13R1.5839 CS(=O)(=O)CCC(=O)NC1CCC1 240690a_100000749019_100000737124 [0,1,0,1,0,0|2,0,0]=4 9831 B13R1.5839 CS(=O)(=O)CCC(=O)NC1CCC1 527a_100000749019_100000737124 [0,1,0,1,0,0|2,0,0]=4 9832 B13R1.8891 CS(=O)(=O)CCC(=O)CCC1CC1 1458a_100000737124_100000694398 [0,1,0,1,0,0|2,0,0]=4 9833 B13R1.8891 CS(=O)(=O)CCC(=O)CCC1CC1 1458a_100000756386_100000731031 [0,1,0,1,0,0|2,0,0]=4 9834 B13R1.8891 CS(=O)(=O)CCC(=O)NCC1CC1 11a_100000735609_100000737124 [0,1,0,1,0,0|2,0,0]=4 9835 B13R1.8891 CS(=O)(=O)CCC(=O)NCC1CC1 1626a_100000735609_100000737124 [0,1,0,1,0,0|2,0,0]=4 9836 B13R1.8891 CS(=O)(=O)CCC(=O)NCC1CC1 240690a_100000735609_100000737124 [0,1,0,1,0,0|2,0,0]=4 9837 B13R1.8891 CS(=O)(=O)CCC(=O)NCC1CC1 527a_100000735609_100000737124 [0,1,0,1,0,0|2,0,0]=4 9838 B13R2.527 O=C1CCC(CC1)OCC2CC2 34a_100000764474_100000742324 [0,0,0,2,0,0|1,0,1]=4 9839 B13R2.527 O=C1CCC(CC1)OCC2CC2 7a_100000764474_100000742324 [0,0,0,2,0,0|1,0,1]=4 9840 B13R2.1069 O=C1CCC(CC1)OC2CCC2 34a_100000764474_100000749161 [0,0,0,2,0,0|1,0,1]=4 9841 B13R2.233 C=C1CC(C1)C(=O)C2CCCC2 1458a_100000065620_100000179811 [0,0,0,2,0,0|2,0,0]=4 9842 B13R2.233 C=C1CC(C1)C(=O)N2CCCC2 240690a_100000188435_100000065620 [0,0,0,2,0,0|2,0,0]=4 9843 B13R2.233 C=C1CC(C1)C(=O)N2CCCC2 527a_100000188435_100000065620 [0,0,0,2,0,0|2,0,0]=4 9844 B13R2.233 O=C1C[C@H](N1)C(=O)C2CCCC2 1458a_100016090685_100000179811 [0,0,0,2,0,0|2,0,0]=4 9845 B13R2.233 O=C1C[C@H](N1)C(=O)N2CCCC2 527a_100000188435_100016090685 [0,0,0,2,0,0|2,0,0]=4 9846 B13R2.5350 C=C1CC(C1)C(=O)N2CCC2C 11a_100000755817_100000065620 [0,0,0,2,0,0|2,0,0]=4 9847 B13R2.5350 C=C1CC(C1)C(=O)N2CCC2C 240690a_100000755817_100000065620 [0,0,0,2,0,0|2,0,0]=4 9848 B13R2.5350 C=C1CC(C1)C(=O)N2CCC2C 527a_100000755817_100000065620 [0,0,0,2,0,0|2,0,0]=4 9849 B13R2.5350 CC1CCN1C(=O)[C@@H]2CC(=O)N2 527a_100000755817_100016090685 [0,0,0,2,0,0|2,0,0]=4 9850 B13R2.5308 C=C1CC(C1)C(=O)CCC2CC2 1458a_100000065620_100000694398 [0,0,0,2,0,0|2,0,0]=4 9851 B13R2.5308 C=C1CC(C1)C(=O)NCC2CC2 11a_100000735609_100000065620 [0,0,0,2,0,0|2,0,0]=4 9852 B13R2.5308 C=C1CC(C1)C(=O)NCC2CC2 1626a_100000735609_100000065620 [0,0,0,2,0,0|2,0,0]=4 9853 B13R2.5308 C=C1CC(C1)C(=O)NCC2CC2 240690a_100000735609_100000065620 [0,0,0,2,0,0|2,0,0]=4 9854 B13R2.5308 C=C1CC(C1)C(=O)NCC2CC2 527a_100000735609_100000065620 [0,0,0,2,0,0|2,0,0]=4 9855 B13R2.5308 O=C1C[C@H](N1)C(=O)CCC2CC2 1458a_100016090685_100000694398 [0,0,0,2,0,0|2,0,0]=4 9856 B13R2.5308 O=C1C[C@H](N1)C(=O)NCC2CC2 527a_100000735609_100016090685 [0,0,0,2,0,0|2,0,0]=4 9857 B13R2.11755 C=C1CC(C1)C(=O)CC2CCC2 1458a_100000065620_100000763275 [0,0,0,2,0,0|2,0,0]=4 9858 B13R2.11755 C=C1CC(C1)C(=O)NC2CCC2 11a_100000749019_100000065620 [0,0,0,2,0,0|2,0,0]=4 9859 B13R2.11755 C=C1CC(C1)C(=O)NC2CCC2 1626a_100000749019_100000065620 [0,0,0,2,0,0|2,0,0]=4 9860 B13R2.11755 C=C1CC(C1)C(=O)NC2CCC2 240690a_100000749019_100000065620 [0,0,0,2,0,0|2,0,0]=4 9861 B13R2.11755 C=C1CC(C1)C(=O)NC2CCC2 527a_100000749019_100000065620 [0,0,0,2,0,0|2,0,0]=4 9862 B13R2.11755 O=C1C[C@H](N1)C(=O)CC2CCC2 1458a_100016090685_100000763275 [0,0,0,2,0,0|2,0,0]=4 9863 B13R2.11755 O=C1C[C@H](N1)C(=O)NC2CCC2 527a_100000749019_100016090685 [0,0,0,2,0,0|2,0,0]=4 9864 B13R2.13217 CC(=O)CN1C(=O)OCC12CC2 1458a_200020760355_200000210301 [0,0,0,2,0,0|1,0,0]=3 9865 B13R2.13217 [13CH3]C(=O)CN1C(=O)OCC12CC2 1458a_200020760355_200025704644 [0,0,0,2,0,0|1,0,0]=3 9866 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,0,0,0,1,0|1,0,0]=3 9867 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [1,0,0,0,1,0|2,0,0]=4 9868 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [1,0,0,0,1,0|2,0,0]=4 9869 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [1,0,0,0,1,0|2,0,0]=4 9870 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [1,0,0,0,1,0|2,0,0]=4 9871 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [1,0,0,0,1,0|2,0,0]=4 9872 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [1,0,0,0,1,0|1,0,1]=4 9873 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [1,0,0,0,1,0|0,0,2]=4 9874 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,0,0,0,1,0|1,0,1]=4 9875 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,0,0,0,1,0|1,0,1]=4 9876 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,0,0,0,1,0|1,0,1]=4 9877 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,0,0,0,1,0|1,0,0]=3 9878 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,0,0,0,1,0|1,0,0]=3 9879 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,0,0,0,1,0|1,0,0]=3 9880 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,0,0,0,1,0|1,0,1]=4 9881 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,0,0,0,1,0|1,0,1]=4 9882 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,0,0,0,1,0|0,0,2]=4 9883 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,0,0,0,1,0|2,0,0]=4 9884 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,0,0,0,1,0|0,0,2]=4 9885 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [1,0,0,0,1,0|2,0,0]=4 9886 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,0,0,0,1,0|2,0,0]=4 9887 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [1,0,0,0,1,0|1,0,0]=3 9888 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [1,0,0,0,1,0|2,0,0]=4 9889 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [1,0,0,0,1,0|2,0,0]=4 9890 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,0,0,0,1,0|0,0,0]=2 9891 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [1,0,0,0,1,0|2,0,0]=4 9892 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [1,0,0,0,1,0|2,0,0]=4 9893 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [1,0,0,0,1,0|2,0,0]=4 9894 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [1,0,0,0,1,0|2,0,0]=4 9895 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [1,0,0,0,1,0|2,0,0]=4 9896 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [1,0,0,0,1,0|2,0,0]=4 9897 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [1,0,0,0,1,0|2,0,0]=4 9898 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [1,0,0,0,1,0|2,0,0]=4 9899 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [1,0,0,0,1,0|2,0,0]=4 9900 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [1,0,0,0,1,0|2,0,0]=4 9901 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [1,0,0,0,1,0|2,0,0]=4 9902 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [1,0,0,0,1,0|2,0,0]=4 9903 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [1,0,0,0,1,0|2,0,0]=4 9904 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [1,0,0,0,1,0|2,0,0]=4 9905 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [1,0,0,0,1,0|2,0,0]=4 9906 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,0,0,0,2,0|2,0,0]=4 9907 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,0,0,0,2,0|2,0,0]=4 9908 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,0,0,0,2,0|2,0,0]=4 9909 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,0,0,0,2,0|2,0,0]=4 9910 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,0,0,0,2,0|2,0,0]=4 9911 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,0,0,0,2,0|2,0,0]=4 9912 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,0,0,0,2,0|2,0,0]=4 9913 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,0,0,0,2,0|2,0,0]=4 9914 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,0,0,0,2,0|2,0,0]=4 9915 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,0,0,0,2,0|2,0,0]=4 9916 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,0,0,0,2,0|2,0,0]=4 9917 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,0,0,0,2,0|2,0,0]=4 9918 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,0,0,0,2,0|1,0,1]=4 9919 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,0,0,0,2,0|1,0,1]=4 9920 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,0,0,0,2,0|2,0,0]=4 9921 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,0,0,0,2,0|2,0,0]=4 9922 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,0,0,0,2,0|2,0,0]=4 9923 B13R0.188 C=C(Br)CCOCC(=O)OCCCC 34a_100009813270_100000211628 [0,0,0,0,0,2|1,0,1]=4 9924 B13R0.188 C=C(C)CCOCC(=O)CCCCC 34a_100000764851_200012276598 [0,0,0,0,0,2|2,0,0]=4 9925 B13R0.188 C=C(C)CCOCC(=O)NCCCC 34a_100000764851_100000182744 [0,0,0,0,0,2|2,0,0]=4 9926 B13R0.188 C=C(C)CCOCC(=O)OCCCC 34a_100000764851_100000211628 [0,0,0,0,0,2|1,0,0]=3 9927 B13R0.188 C=C(C)CCOCC(=O)OCCOC 34a_100000764851_200000040189 [0,0,0,0,0,2|2,0,0]=4 9928 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_100000730704_200012276598 [0,0,0,0,0,2|2,0,0]=4 9929 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_200012276598_100000730704 [0,0,0,0,0,2|2,0,0]=4 9930 B13R0.188 C=C(C)CCSCC(=O)NCCCC 62a_100000182744_100000730704 [0,0,0,0,0,2|2,0,0]=4 9931 B13R0.188 C=C(C)CCSCC(=O)NCCCC 62a_100000730704_100000182744 [0,0,0,0,0,2|2,0,0]=4 9932 B13R0.188 C=C(C)CCSCC(=O)OCCCC 62a_100000211628_100000730704 [0,0,0,0,0,2|1,0,0]=3 9933 B13R0.188 C=C(C)CCSCC(=O)OCCCC 62a_100000730704_100000211628 [0,0,0,0,0,2|1,0,0]=3 9934 B13R0.188 C=C(C)CCSCC(=O)OCCOC 62a_100000730704_200000040189 [0,0,0,0,0,2|2,0,0]=4 9935 B13R0.188 C=C(C)CCSCC(=O)OCCOC 62a_200000040189_100000730704 [0,0,0,0,0,2|2,0,0]=4 9936 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,0,0,0,0,2|2,0,0]=4 9937 B13R0.188 CC(=O)NCCCC(=O)CCCCF 1458a_100000194741_100000729493 [0,0,0,0,0,2|2,0,0]=4 9938 B13R0.188 CC(=O)NCCCC(=O)CCCCO 1458a_100000194741_100000210776 [0,0,0,0,0,2|2,0,0]=4 9939 B13R0.188 CC(=O)NCCCC(=O)NCCCF 11a_100015189416_100000194741 [0,0,0,0,0,2|2,0,0]=4 9940 B13R0.188 CC(=O)NCCCC(=O)NCCCF 1626a_100015189416_100000194741 [0,0,0,0,0,2|2,0,0]=4 9941 B13R0.188 CC(=O)NCCCC(=O)NCCCF 240690a_100015189416_100000194741 [0,0,0,0,0,2|2,0,0]=4 9942 B13R0.188 CC(=O)NCCCC(=O)NCCCF 527a_100015189416_100000194741 [0,0,0,0,0,2|2,0,0]=4 9943 B13R0.188 CC(=O)NCCCC(=O)NCCCO 240690a_100000182051_100000194741 [0,0,0,0,0,2|2,0,0]=4 9944 B13R0.188 CC(=O)NCCCC(=O)NCCCO 527a_100000182051_100000194741 [0,0,0,0,0,2|2,0,0]=4 9945 B13R0.188 CC(=O)NCCNC(=O)NCCCF 2708a_100000209853_100015189416 [0,0,0,0,0,2|2,0,0]=4 9946 B13R0.188 CC(=O)NCCNC(=O)NCCCF 2708a_100015189416_100000209853 [0,0,0,0,0,2|2,0,0]=4 9947 B13R0.188 CC(=O)NCCNC(=O)NCCCF 273464a_100000209853_100015189416 [0,0,0,0,0,2|2,0,0]=4 9948 B13R0.188 CC(=O)NCCNC(=O)NCCCF 273464a_100015189416_100000209853 [0,0,0,0,0,2|2,0,0]=4 9949 B13R0.188 CC(=O)NCCNC(=O)NCCCF 512a_100000209853_100015189416 [0,0,0,0,0,2|2,0,0]=4 9950 B13R0.188 CC(=O)NCCNC(=O)NCCCF 512a_100015189416_100000209853 [0,0,0,0,0,2|2,0,0]=4 9951 B13R0.188 CC(=O)NCCNC(=O)NCCCO 2708a_100000209853_100000182051 [0,0,0,0,0,2|2,0,0]=4 9952 B13R0.188 CC(=O)NCCNC(=O)NCCCO 273464a_100000182051_100000209853 [0,0,0,0,0,2|2,0,0]=4 9953 B13R0.188 CC(=O)NCCNC(=O)NCCCO 273464a_100000209853_100000182051 [0,0,0,0,0,2|2,0,0]=4 9954 B13R0.188 CC(=O)NCCNC(=O)NCCCO 512a_100000209853_100000182051 [0,0,0,0,0,2|2,0,0]=4 9955 B13R0.188 CC(=O)OCCCC(=O)CCCCO 1458a_100000695505_100000042594 [0,0,0,0,0,2|2,0,0]=4 9956 B13R0.188 CC(=O)OCCNC(=O)NCCCF 2708a_100015189416_100000724843 [0,0,0,0,0,2|2,0,0]=4 9957 B13R0.188 CC(=O)OCCNC(=O)NCCCF 273464a_100000724843_100015189416 [0,0,0,0,0,2|2,0,0]=4 9958 B13R0.188 CC(=O)OCCNC(=O)NCCCF 273464a_100015189416_100000724843 [0,0,0,0,0,2|2,0,0]=4 9959 B13R0.188 CC(=O)OCCNC(=O)NCCCF 512a_100000724843_100015189416 [0,0,0,0,0,2|2,0,0]=4 9960 B13R0.188 CC(=O)OCCNC(=O)NCCCF 512a_100015189416_100000724843 [0,0,0,0,0,2|2,0,0]=4 9961 B13R0.188 CC(=O)OCCNC(=O)NCCCO 273464a_100000182051_100000724843 [0,0,0,0,0,2|2,0,0]=4 9962 B13R0.188 CC(=O)OCCNC(=O)NCCCO 273464a_100000724843_100000182051 [0,0,0,0,0,2|2,0,0]=4 9963 B13R0.188 CC(=O)OCCNC(=O)NCCCO 512a_100000724843_100000182051 [0,0,0,0,0,2|2,0,0]=4 9964 B13R0.188 CC(=O)SCCCC(=O)CCCCO 1458a_100000695505_100000038929 [0,0,0,0,0,2|2,0,0]=4 9965 B13R0.188 CC(=O)SCCNC(=O)NCCCF 2708a_100015189416_100020647217 [0,0,0,0,0,2|2,0,0]=4 9966 B13R0.188 CC(=O)SCCNC(=O)NCCCF 2708a_100020647217_100015189416 [0,0,0,0,0,2|2,0,0]=4 9967 B13R0.188 CC(=O)SCCNC(=O)NCCCF 273464a_100015189416_100020647217 [0,0,0,0,0,2|2,0,0]=4 9968 B13R0.188 CC(=O)SCCNC(=O)NCCCF 273464a_100020647217_100015189416 [0,0,0,0,0,2|2,0,0]=4 9969 B13R0.188 CC(=O)SCCNC(=O)NCCCF 512a_100015189416_100020647217 [0,0,0,0,0,2|2,0,0]=4 9970 B13R0.188 CC(=O)SCCNC(=O)NCCCF 512a_100020647217_100015189416 [0,0,0,0,0,2|2,0,0]=4 9971 B13R0.188 CC(=O)SCCNC(=O)NCCCO 2708a_100020647217_100000182051 [0,0,0,0,0,2|2,0,0]=4 9972 B13R0.188 CC(=O)SCCNC(=O)NCCCO 273464a_100000182051_100020647217 [0,0,0,0,0,2|2,0,0]=4 9973 B13R0.188 CC(=O)SCCNC(=O)NCCCO 273464a_100020647217_100000182051 [0,0,0,0,0,2|2,0,0]=4 9974 B13R0.188 CC(=O)SCCNC(=O)NCCCO 512a_100020647217_100000182051 [0,0,0,0,0,2|2,0,0]=4 9975 B13R0.188 CCCC#CC(=O)CCCCC(=O)C 1458a_200011218047_100000735457 [0,0,0,0,0,2|1,0,1]=4 9976 B13R0.188 CCCC#CC(=O)CCCOC(=O)C 1458a_200011218047_100000042594 [0,0,0,0,0,2|1,0,1]=4 9977 B13R0.188 CCCC#CC(=O)CCCSC(=O)C 1458a_200011218047_100000038929 [0,0,0,0,0,2|1,0,1]=4 9978 B13R0.188 CCCC#CC(=O)NCCNC(=O)C 240690a_100000209853_200011218047 [0,0,0,0,0,2|1,0,1]=4 9979 B13R0.188 CCCC#CC(=O)NCCOC(=O)C 240690a_100000724843_200011218047 [0,0,0,0,0,2|1,0,1]=4 9980 B13R0.188 CCCC#CC(=O)NCCSC(=O)C 240690a_100020647217_200011218047 [0,0,0,0,0,2|1,0,1]=4 9981 B13R0.188 CCCC=CC(=O)CCCCC(=O)C 1458a_100000212230_100000735457 [0,0,0,0,0,2|1,0,1]=4 9982 B13R0.188 CCCC=CC(=O)CCCOC(=O)C 1458a_100000212230_100000042594 [0,0,0,0,0,2|1,0,1]=4 9983 B13R0.188 CCCC=CC(=O)CCCSC(=O)C 1458a_100000212230_100000038929 [0,0,0,0,0,2|1,0,1]=4 9984 B13R0.188 CCCC=CC(=O)NCCNC(=O)C 240690a_100000209853_100000212230 [0,0,0,0,0,2|1,0,1]=4 9985 B13R0.188 CCCC=CC(=O)NCCOC(=O)C 11a_100000724843_100000212230 [0,0,0,0,0,2|1,0,1]=4 9986 B13R0.188 CCCC=CC(=O)NCCOC(=O)C 240690a_100000724843_100000212230 [0,0,0,0,0,2|1,0,1]=4 9987 B13R0.188 CCCC=CC(=O)NCCSC(=O)C 11a_100020647217_100000212230 [0,0,0,0,0,2|1,0,1]=4 9988 B13R0.188 CCCC=CC(=O)NCCSC(=O)C 240690a_100020647217_100000212230 [0,0,0,0,0,2|1,0,1]=4 9989 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,0,0,0,0,2|1,0,0]=3 9990 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,0,0,0,0,2|1,0,0]=3 9991 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,0,0,0,0,2|1,0,0]=3 9992 B13R0.188 CCCCCC(=O)CCCOC(=S)C 1458a_100000212188_200135323944 [0,0,0,0,0,2|1,1,0]=4 9993 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,0,0,0,0,2|1,0,0]=3 9994 B13R0.188 CCCCCC(=O)CCOCC(=O)N 1458a_100000212188_100000076697 [0,0,0,0,0,2|2,0,0]=4 9995 B13R0.188 CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210326 [0,0,0,0,0,2|2,0,0]=4 9996 B13R0.188 CCCCCC(=O)CNCC=C(C)C 34a_100000718196_200012276598 [0,0,0,0,0,2|2,0,0]=4 9997 B13R0.188 CCCCCC(=O)CNOCC(=O)O 269956a_100000106656_200012276598 [0,0,0,0,0,2|2,0,0]=4 9998 B13R0.188 CCCCCC(=O)COCC=C(C)C 34a_100000753907_200012276598 [0,0,0,0,0,2|2,0,0]=4 9999 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,0,0,0,0,2|1,0,0]=3 10000 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,0,0,0,0,2|1,0,0]=3 10001 B13R0.188 CCCCCC(=O)COCCC(=O)N 34a_100000757172_200012276598 [0,0,0,0,0,2|2,0,0]=4 10002 B13R0.188 CCCCCC(=O)COCCC(=O)N 7a_100000757172_200012276598 [0,0,0,0,0,2|2,0,0]=4 10003 B13R0.188 CCCCCC(=O)CSCC=C(C)C 62a_100000761012_200012276598 [0,0,0,0,0,2|2,0,0]=4 10004 B13R0.188 CCCCCC(=O)CSCC=C(C)C 62a_200012276598_100000761012 [0,0,0,0,0,2|2,0,0]=4 10005 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,0,0,0,0,2|1,0,0]=3 10006 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,0,0,0,0,2|1,0,0]=3 10007 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_100000744528_200012276598 [0,0,0,0,0,2|2,0,0]=4 10008 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_200012276598_100000744528 [0,0,0,0,0,2|2,0,0]=4 10009 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_100000076356_200012276598 [0,0,0,0,0,2|1,0,0]=3 10010 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_200012276598_100000076356 [0,0,0,0,0,2|1,0,0]=3 10011 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,0,0,0,0,2|2,0,0]=4 10012 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,0,0,0,0,2|2,0,0]=4 10013 B13R0.188 CCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000212188 [0,0,0,0,0,2|2,0,0]=4 10014 B13R0.188 CCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000212188 [0,0,0,0,0,2|2,0,0]=4 10015 B13R0.188 CCCCCC(=O)NCCCS(=O)C 527a_200000753449_100000212188 [0,0,0,0,0,2|2,0,0]=4 10016 B13R0.188 CCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000212188 [0,0,0,0,0,2|1,0,0]=3 10017 B13R0.188 CCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000212188 [0,0,0,0,0,2|1,0,0]=3 10018 B13R0.188 CCCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000212188 [0,0,0,0,0,2|2,0,0]=4 10019 B13R0.188 CCCCCC(=O)NCCNC(=O)N 527a_100020590234_100000212188 [0,0,0,0,0,2|2,0,0]=4 10020 B13R0.188 CCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000212188 [0,0,0,0,0,2|1,0,0]=3 10021 B13R0.188 CCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000212188 [0,0,0,0,0,2|1,0,0]=3 10022 B13R0.188 CCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000212188 [0,0,0,0,0,2|1,0,0]=3 10023 B13R0.188 CCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000212188 [0,0,0,0,0,2|1,0,0]=3 10024 B13R0.188 CCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000212188 [0,0,0,0,0,2|1,0,0]=3 10025 B13R0.188 CCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000212188 [0,0,0,0,0,2|1,0,0]=3 10026 B13R0.188 CCCCNC(=O)CCCNC(=O)C 11a_100000102301_100000194741 [0,0,0,0,0,2|1,0,0]=3 10027 B13R0.188 CCCCNC(=O)CCCNC(=O)C 1626a_100000102301_100000194741 [0,0,0,0,0,2|1,0,0]=3 10028 B13R0.188 CCCCNC(=O)CCCNC(=O)C 240690a_100000102301_100000194741 [0,0,0,0,0,2|1,0,0]=3 10029 B13R0.188 CCCCNC(=O)CCCNC(=O)C 527a_100000102301_100000194741 [0,0,0,0,0,2|1,0,0]=3 10030 B13R0.188 CCCCNC(=O)CCSCC(=O)N 11a_100000102301_100000148550 [0,0,0,0,0,2|2,0,0]=4 10031 B13R0.188 CCCCNC(=O)CCSCC(=O)N 240690a_100000102301_100000148550 [0,0,0,0,0,2|2,0,0]=4 10032 B13R0.188 CCCCNC(=O)CCSCC(=O)N 527a_100000102301_100000148550 [0,0,0,0,0,2|2,0,0]=4 10033 B13R0.188 CCCCNC(=O)CNCC=C(C)C 34a_100000718196_100000182744 [0,0,0,0,0,2|2,0,0]=4 10034 B13R0.188 CCCCNC(=O)CNOCC(=O)O 269956a_100000106656_100000182744 [0,0,0,0,0,2|2,0,0]=4 10035 B13R0.188 CCCCNC(=O)COCC=C(C)C 34a_100000753907_100000182744 [0,0,0,0,0,2|2,0,0]=4 10036 B13R0.188 CCCCNC(=O)COCCC(=O)C 34a_100000759926_100000182744 [0,0,0,0,0,2|1,0,0]=3 10037 B13R0.188 CCCCNC(=O)COCCC(=O)C 7a_100000759926_100000182744 [0,0,0,0,0,2|1,0,0]=3 10038 B13R0.188 CCCCNC(=O)COCCC(=O)N 34a_100000757172_100000182744 [0,0,0,0,0,2|2,0,0]=4 10039 B13R0.188 CCCCNC(=O)COCCC(=O)N 7a_100000757172_100000182744 [0,0,0,0,0,2|2,0,0]=4 10040 B13R0.188 CCCCNC(=O)CSCC=C(C)C 62a_100000182744_100000761012 [0,0,0,0,0,2|2,0,0]=4 10041 B13R0.188 CCCCNC(=O)CSCC=C(C)C 62a_100000761012_100000182744 [0,0,0,0,0,2|2,0,0]=4 10042 B13R0.188 CCCCNC(=O)CSCCC(=O)C 62a_100000053229_100000182744 [0,0,0,0,0,2|1,0,0]=3 10043 B13R0.188 CCCCNC(=O)CSCCC(=O)C 62a_100000182744_100000053229 [0,0,0,0,0,2|1,0,0]=3 10044 B13R0.188 CCCCNC(=O)CSCCC(=O)N 62a_100000182744_100000744528 [0,0,0,0,0,2|2,0,0]=4 10045 B13R0.188 CCCCNC(=O)CSCCC(=O)N 62a_100000744528_100000182744 [0,0,0,0,0,2|2,0,0]=4 10046 B13R0.188 CCCCNC(=O)CSCOC(=O)C 62a_100000076356_100000182744 [0,0,0,0,0,2|1,0,0]=3 10047 B13R0.188 CCCCNC(=O)CSCOC(=O)C 62a_100000182744_100000076356 [0,0,0,0,0,2|1,0,0]=3 10048 B13R0.188 CCCCNC(=O)NCCCC(=O)N 273464a_100000102301_100000739312 [0,0,0,0,0,2|2,0,0]=4 10049 B13R0.188 CCCCNC(=O)NCCCC(=O)N 273464a_100000739312_100000102301 [0,0,0,0,0,2|2,0,0]=4 10050 B13R0.188 CCCCNC(=O)NCCCC(=O)N 512a_100000102301_100000739312 [0,0,0,0,0,2|2,0,0]=4 10051 B13R0.188 CCCCNC(=O)NCCCC(=O)N 512a_100000739312_100000102301 [0,0,0,0,0,2|2,0,0]=4 10052 B13R0.188 CCCCNC(=O)NCCCS(=O)C 2708a_100000102301_200000753449 [0,0,0,0,0,2|2,0,0]=4 10053 B13R0.188 CCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000102301 [0,0,0,0,0,2|2,0,0]=4 10054 B13R0.188 CCCCNC(=O)NCCCS(=O)C 273464a_100000102301_200000753449 [0,0,0,0,0,2|2,0,0]=4 10055 B13R0.188 CCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000102301 [0,0,0,0,0,2|2,0,0]=4 10056 B13R0.188 CCCCNC(=O)NCCCS(=O)C 512a_100000102301_200000753449 [0,0,0,0,0,2|2,0,0]=4 10057 B13R0.188 CCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000102301 [0,0,0,0,0,2|2,0,0]=4 10058 B13R0.188 CCCCNC(=O)NCCNC(=O)C 2708a_100000102301_100000209853 [0,0,0,0,0,2|1,0,0]=3 10059 B13R0.188 CCCCNC(=O)NCCNC(=O)C 2708a_100000209853_100000102301 [0,0,0,0,0,2|1,0,0]=3 10060 B13R0.188 CCCCNC(=O)NCCNC(=O)C 273464a_100000102301_100000209853 [0,0,0,0,0,2|1,0,0]=3 10061 B13R0.188 CCCCNC(=O)NCCNC(=O)C 273464a_100000209853_100000102301 [0,0,0,0,0,2|1,0,0]=3 10062 B13R0.188 CCCCNC(=O)NCCNC(=O)C 512a_100000102301_100000209853 [0,0,0,0,0,2|1,0,0]=3 10063 B13R0.188 CCCCNC(=O)NCCNC(=O)C 512a_100000209853_100000102301 [0,0,0,0,0,2|1,0,0]=3 10064 B13R0.188 CCCCNC(=O)NCCNC(=O)N 2708a_100000102301_100020590234 [0,0,0,0,0,2|2,0,0]=4 10065 B13R0.188 CCCCNC(=O)NCCNC(=O)N 273464a_100000102301_100020590234 [0,0,0,0,0,2|2,0,0]=4 10066 B13R0.188 CCCCNC(=O)NCCNC(=O)N 273464a_100020590234_100000102301 [0,0,0,0,0,2|2,0,0]=4 10067 B13R0.188 CCCCNC(=O)NCCNC(=O)N 512a_100000102301_100020590234 [0,0,0,0,0,2|2,0,0]=4 10068 B13R0.188 CCCCNC(=O)NCCNC(=O)N 512a_100020590234_100000102301 [0,0,0,0,0,2|2,0,0]=4 10069 B13R0.188 CCCCNC(=O)NCCOC(=O)C 2708a_100000102301_100000724843 [0,0,0,0,0,2|1,0,0]=3 10070 B13R0.188 CCCCNC(=O)NCCOC(=O)C 273464a_100000102301_100000724843 [0,0,0,0,0,2|1,0,0]=3 10071 B13R0.188 CCCCNC(=O)NCCOC(=O)C 273464a_100000724843_100000102301 [0,0,0,0,0,2|1,0,0]=3 10072 B13R0.188 CCCCNC(=O)NCCOC(=O)C 512a_100000102301_100000724843 [0,0,0,0,0,2|1,0,0]=3 10073 B13R0.188 CCCCNC(=O)NCCOC(=O)C 512a_100000724843_100000102301 [0,0,0,0,0,2|1,0,0]=3 10074 B13R0.188 CCCCNC(=O)NCCSC(=O)C 2708a_100000102301_100020647217 [0,0,0,0,0,2|1,0,0]=3 10075 B13R0.188 CCCCNC(=O)NCCSC(=O)C 2708a_100020647217_100000102301 [0,0,0,0,0,2|1,0,0]=3 10076 B13R0.188 CCCCNC(=O)NCCSC(=O)C 273464a_100000102301_100020647217 [0,0,0,0,0,2|1,0,0]=3 10077 B13R0.188 CCCCNC(=O)NCCSC(=O)C 273464a_100020647217_100000102301 [0,0,0,0,0,2|1,0,0]=3 10078 B13R0.188 CCCCNC(=O)NCCSC(=O)C 512a_100000102301_100020647217 [0,0,0,0,0,2|1,0,0]=3 10079 B13R0.188 CCCCNC(=O)NCCSC(=O)C 512a_100020647217_100000102301 [0,0,0,0,0,2|1,0,0]=3 10080 B13R0.188 CCCCOC(=O)CNCC=C(C)C 34a_100000718196_100000211628 [0,0,0,0,0,2|1,0,0]=3 10081 B13R0.188 CCCCOC(=O)CNCCC(C)O 2230a_200000755665_100000211628 [0,0,0,0,0,2|0,0,2]=4 10082 B13R0.188 CCCCOC(=O)CNOCC(=O)O 269956a_100000106656_100000211628 [0,0,0,0,0,2|1,0,0]=3 10083 B13R0.188 CCCCOC(=O)COCC=C(C)C 34a_100000753907_100000211628 [0,0,0,0,0,2|1,0,0]=3 10084 B13R0.188 CCCCOC(=O)COCCC(=O)C 34a_100000759926_100000211628 [0,0,0,0,0,2|0,0,0]=2 10085 B13R0.188 CCCCOC(=O)COCCC(=O)C 7a_100000759926_100000211628 [0,0,0,0,0,2|0,0,0]=2 10086 B13R0.188 CCCCOC(=O)COCCC(=O)N 34a_100000757172_100000211628 [0,0,0,0,0,2|1,0,0]=3 10087 B13R0.188 CCCCOC(=O)COCCC(=O)N 7a_100000757172_100000211628 [0,0,0,0,0,2|1,0,0]=3 10088 B13R0.188 CCCCOC(=O)COCCC(C)Br 34a_100009893172_100000211628 [0,0,0,0,0,2|1,0,1]=4 10089 B13R0.188 CCCCOC(=O)COCCC(C)C 34a_100000210254_100000211628 [0,0,0,0,0,2|1,0,1]=4 10090 B13R0.188 CCCCOC(=O)COCCC(C)C 7a_100000210254_100000211628 [0,0,0,0,0,2|1,0,1]=4 10091 B13R0.188 CCCCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000211628 [0,0,0,0,0,2|1,0,1]=4 10092 B13R0.188 CCCCOC(=O)CSCC=C(C)C 62a_100000211628_100000761012 [0,0,0,0,0,2|1,0,0]=3 10093 B13R0.188 CCCCOC(=O)CSCC=C(C)C 62a_100000761012_100000211628 [0,0,0,0,0,2|1,0,0]=3 10094 B13R0.188 CCCCOC(=O)CSCCC(=O)C 62a_100000053229_100000211628 [0,0,0,0,0,2|0,0,0]=2 10095 B13R0.188 CCCCOC(=O)CSCCC(=O)C 62a_100000211628_100000053229 [0,0,0,0,0,2|0,0,0]=2 10096 B13R0.188 CCCCOC(=O)CSCCC(=O)N 62a_100000211628_100000744528 [0,0,0,0,0,2|1,0,0]=3 10097 B13R0.188 CCCCOC(=O)CSCCC(=O)N 62a_100000744528_100000211628 [0,0,0,0,0,2|1,0,0]=3 10098 B13R0.188 CCCCOC(=O)CSCCC(C)C 62a_100000210312_100000211628 [0,0,0,0,0,2|1,0,1]=4 10099 B13R0.188 CCCCOC(=O)CSCCC(C)C 62a_100000211628_100000210312 [0,0,0,0,0,2|1,0,1]=4 10100 B13R0.188 CCCCOC(=O)CSCCC(C)O 62a_100000211628_100012276601 [0,0,0,0,0,2|0,0,2]=4 10101 B13R0.188 CCCCOC(=O)CSCCC(C)O 62a_100012276601_100000211628 [0,0,0,0,0,2|0,0,2]=4 10102 B13R0.188 CCCCOC(=O)CSCCN(C)C 62a_100000211628_100000755713 [0,0,0,0,0,2|2,0,0]=4 10103 B13R0.188 CCCCOC(=O)CSCOC(=O)C 62a_100000076356_100000211628 [0,0,0,0,0,2|0,0,0]=2 10104 B13R0.188 CCCCOC(=O)CSCOC(=O)C 62a_100000211628_100000076356 [0,0,0,0,0,2|0,0,0]=2 10105 B13R0.188 CCCCOC(=O)CSCOC(C)C 62a_100000211628_100000709892 [0,0,0,0,0,2|1,0,1]=4 10106 B13R0.188 CCCCOC(=O)CSCOC(C)C 62a_100000709892_100000211628 [0,0,0,0,0,2|1,0,1]=4 10107 B13R0.188 CCCNNC(=O)CCCNC(=O)C 22a_100000740057_100000194741 [0,0,0,0,0,2|2,0,0]=4 10108 B13R0.188 CCCNNC(=O)NCCNC(=O)C 273464a_100000209853_100000740057 [0,0,0,0,0,2|2,0,0]=4 10109 B13R0.188 CCCNNC(=O)NCCNC(=O)C 512a_100000209853_100000740057 [0,0,0,0,0,2|2,0,0]=4 10110 B13R0.188 CCCNNC(=O)NCCNC(=O)C 512a_100000740057_100000209853 [0,0,0,0,0,2|2,0,0]=4 10111 B13R0.188 CCCNNC(=O)NCCOC(=O)C 273464a_100000724843_100000740057 [0,0,0,0,0,2|2,0,0]=4 10112 B13R0.188 CCCNNC(=O)NCCOC(=O)C 512a_100000724843_100000740057 [0,0,0,0,0,2|2,0,0]=4 10113 B13R0.188 CCCNNC(=O)NCCOC(=O)C 512a_100000740057_100000724843 [0,0,0,0,0,2|2,0,0]=4 10114 B13R0.188 CCCNNC(=O)NCCSC(=O)C 273464a_100020647217_100000740057 [0,0,0,0,0,2|2,0,0]=4 10115 B13R0.188 CCCNNC(=O)NCCSC(=O)C 512a_100000740057_100020647217 [0,0,0,0,0,2|2,0,0]=4 10116 B13R0.188 CCCNNC(=O)NCCSC(=O)C 512a_100020647217_100000740057 [0,0,0,0,0,2|2,0,0]=4 10117 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,0,0,0,0,2|2,0,0]=4 10118 B13R0.188 CCCOCC(=O)CCCOC(=O)C 1458a_100000745993_100000042594 [0,0,0,0,0,2|2,0,0]=4 10119 B13R0.188 CCCOCC(=O)CCCSC(=O)C 1458a_100000745993_100000038929 [0,0,0,0,0,2|2,0,0]=4 10120 B13R0.188 CCCOCC(=O)NCCNC(=O)C 240690a_100000209853_100000745993 [0,0,0,0,0,2|2,0,0]=4 10121 B13R0.188 CCCOCC(=O)NCCNC(=O)C 527a_100000209853_100000745993 [0,0,0,0,0,2|2,0,0]=4 10122 B13R0.188 CCCOCC(=O)NCCOC(=O)C 11a_100000724843_100000745993 [0,0,0,0,0,2|2,0,0]=4 10123 B13R0.188 CCCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000745993 [0,0,0,0,0,2|2,0,0]=4 10124 B13R0.188 CCCOCC(=O)NCCOC(=O)C 527a_100000724843_100000745993 [0,0,0,0,0,2|2,0,0]=4 10125 B13R0.188 CCCOCC(=O)NCCSC(=O)C 11a_100020647217_100000745993 [0,0,0,0,0,2|2,0,0]=4 10126 B13R0.188 CCCOCC(=O)NCCSC(=O)C 240690a_100020647217_100000745993 [0,0,0,0,0,2|2,0,0]=4 10127 B13R0.188 CCCOCC(=O)NCCSC(=O)C 527a_100020647217_100000745993 [0,0,0,0,0,2|2,0,0]=4 10128 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,0,0,0,0,2|2,0,0]=4 10129 B13R0.188 CCCSCC(=O)CCCOC(=O)C 1458a_100000217233_100000042594 [0,0,0,0,0,2|2,0,0]=4 10130 B13R0.188 CCCSCC(=O)CCCSC(=O)C 1458a_100000217233_100000038929 [0,0,0,0,0,2|2,0,0]=4 10131 B13R0.188 CCCSCC(=O)NCCNC(=O)C 240690a_100000209853_100000217233 [0,0,0,0,0,2|2,0,0]=4 10132 B13R0.188 CCCSCC(=O)NCCNC(=O)C 527a_100000209853_100000217233 [0,0,0,0,0,2|2,0,0]=4 10133 B13R0.188 CCCSCC(=O)NCCOC(=O)C 11a_100000724843_100000217233 [0,0,0,0,0,2|2,0,0]=4 10134 B13R0.188 CCCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000217233 [0,0,0,0,0,2|2,0,0]=4 10135 B13R0.188 CCCSCC(=O)NCCOC(=O)C 527a_100000724843_100000217233 [0,0,0,0,0,2|2,0,0]=4 10136 B13R0.188 CCCSCC(=O)NCCSC(=O)C 11a_100020647217_100000217233 [0,0,0,0,0,2|2,0,0]=4 10137 B13R0.188 CCCSCC(=O)NCCSC(=O)C 240690a_100020647217_100000217233 [0,0,0,0,0,2|2,0,0]=4 10138 B13R0.188 CCCSCC(=O)NCCSC(=O)C 527a_100020647217_100000217233 [0,0,0,0,0,2|2,0,0]=4 10139 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,0,0,0,0,2|2,0,0]=4 10140 B13R0.188 CCOCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215890 [0,0,0,0,0,2|2,0,0]=4 10141 B13R0.188 CCOCCC(=O)CCCOC(=O)C 1458a_100000749530_100000042594 [0,0,0,0,0,2|2,0,0]=4 10142 B13R0.188 CCOCCC(=O)CCCSC(=O)C 1458a_100000749530_100000038929 [0,0,0,0,0,2|2,0,0]=4 10143 B13R0.188 CCOCCC(=O)NCCNC(=O)C 240690a_100000209853_100000749530 [0,0,0,0,0,2|2,0,0]=4 10144 B13R0.188 CCOCCC(=O)NCCNC(=O)C 527a_100000209853_100000749530 [0,0,0,0,0,2|2,0,0]=4 10145 B13R0.188 CCOCCC(=O)NCCOC(=O)C 11a_100000724843_100000749530 [0,0,0,0,0,2|2,0,0]=4 10146 B13R0.188 CCOCCC(=O)NCCOC(=O)C 240690a_100000724843_100000749530 [0,0,0,0,0,2|2,0,0]=4 10147 B13R0.188 CCOCCC(=O)NCCOC(=O)C 527a_100000724843_100000749530 [0,0,0,0,0,2|2,0,0]=4 10148 B13R0.188 CCOCCC(=O)NCCSC(=O)C 11a_100020647217_100000749530 [0,0,0,0,0,2|2,0,0]=4 10149 B13R0.188 CCOCCC(=O)NCCSC(=O)C 240690a_100020647217_100000749530 [0,0,0,0,0,2|2,0,0]=4 10150 B13R0.188 CCOCCC(=O)NCCSC(=O)C 527a_100020647217_100000749530 [0,0,0,0,0,2|2,0,0]=4 10151 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,0,0,0,0,2|2,0,0]=4 10152 B13R0.188 CCSCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757381 [0,0,0,0,0,2|2,0,0]=4 10153 B13R0.188 CCSCCC(=O)CCCOC(=O)C 1458a_100000230768_100000042594 [0,0,0,0,0,2|2,0,0]=4 10154 B13R0.188 CCSCCC(=O)CCCSC(=O)C 1458a_100000230768_100000038929 [0,0,0,0,0,2|2,0,0]=4 10155 B13R0.188 CCSCCC(=O)NCCNC(=O)C 240690a_100000209853_100000230768 [0,0,0,0,0,2|2,0,0]=4 10156 B13R0.188 CCSCCC(=O)NCCNC(=O)C 527a_100000209853_100000230768 [0,0,0,0,0,2|2,0,0]=4 10157 B13R0.188 CCSCCC(=O)NCCOC(=O)C 11a_100000724843_100000230768 [0,0,0,0,0,2|2,0,0]=4 10158 B13R0.188 CCSCCC(=O)NCCOC(=O)C 240690a_100000724843_100000230768 [0,0,0,0,0,2|2,0,0]=4 10159 B13R0.188 CCSCCC(=O)NCCOC(=O)C 527a_100000724843_100000230768 [0,0,0,0,0,2|2,0,0]=4 10160 B13R0.188 CCSCCC(=O)NCCSC(=O)C 11a_100020647217_100000230768 [0,0,0,0,0,2|2,0,0]=4 10161 B13R0.188 CCSCCC(=O)NCCSC(=O)C 240690a_100020647217_100000230768 [0,0,0,0,0,2|2,0,0]=4 10162 B13R0.188 CCSCCC(=O)NCCSC(=O)C 527a_100020647217_100000230768 [0,0,0,0,0,2|2,0,0]=4 10163 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,0,0,0,0,2|2,0,0]=4 10164 B13R0.188 COCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000740836 [0,0,0,0,0,2|2,0,0]=4 10165 B13R0.188 COCCCC(=O)CCCOC(=O)C 1458a_100000741012_100000042594 [0,0,0,0,0,2|2,0,0]=4 10166 B13R0.188 COCCCC(=O)CCCSC(=O)C 1458a_100000741012_100000038929 [0,0,0,0,0,2|2,0,0]=4 10167 B13R0.188 COCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000741012 [0,0,0,0,0,2|2,0,0]=4 10168 B13R0.188 COCCCC(=O)NCCNC(=O)C 527a_100000209853_100000741012 [0,0,0,0,0,2|2,0,0]=4 10169 B13R0.188 COCCCC(=O)NCCOC(=O)C 11a_100000724843_100000741012 [0,0,0,0,0,2|2,0,0]=4 10170 B13R0.188 COCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000741012 [0,0,0,0,0,2|2,0,0]=4 10171 B13R0.188 COCCCC(=O)NCCOC(=O)C 527a_100000724843_100000741012 [0,0,0,0,0,2|2,0,0]=4 10172 B13R0.188 COCCCC(=O)NCCSC(=O)C 11a_100020647217_100000741012 [0,0,0,0,0,2|2,0,0]=4 10173 B13R0.188 COCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000741012 [0,0,0,0,0,2|2,0,0]=4 10174 B13R0.188 COCCCC(=O)NCCSC(=O)C 527a_100020647217_100000741012 [0,0,0,0,0,2|2,0,0]=4 10175 B13R0.188 COCCNC(=O)CCCNC(=O)C 1626a_100000209980_100000194741 [0,0,0,0,0,2|2,0,0]=4 10176 B13R0.188 COCCNC(=O)CCCNC(=O)C 240690a_100000209980_100000194741 [0,0,0,0,0,2|2,0,0]=4 10177 B13R0.188 COCCNC(=O)CCCNC(=O)C 527a_100000209980_100000194741 [0,0,0,0,0,2|2,0,0]=4 10178 B13R0.188 COCCNC(=O)COCCC(=O)C 34a_100000759926_100000183275 [0,0,0,0,0,2|2,0,0]=4 10179 B13R0.188 COCCNC(=O)COCCC(=O)C 7a_100000759926_100000183275 [0,0,0,0,0,2|2,0,0]=4 10180 B13R0.188 COCCNC(=O)CSCCC(=O)C 62a_100000053229_100000183275 [0,0,0,0,0,2|2,0,0]=4 10181 B13R0.188 COCCNC(=O)CSCCC(=O)C 62a_100000183275_100000053229 [0,0,0,0,0,2|2,0,0]=4 10182 B13R0.188 COCCNC(=O)CSCOC(=O)C 62a_100000076356_100000183275 [0,0,0,0,0,2|2,0,0]=4 10183 B13R0.188 COCCNC(=O)CSCOC(=O)C 62a_100000183275_100000076356 [0,0,0,0,0,2|2,0,0]=4 10184 B13R0.188 COCCNC(=O)NCCNC(=O)C 2708a_100000209853_100000209980 [0,0,0,0,0,2|2,0,0]=4 10185 B13R0.188 COCCNC(=O)NCCNC(=O)C 273464a_100000209853_100000209980 [0,0,0,0,0,2|2,0,0]=4 10186 B13R0.188 COCCNC(=O)NCCNC(=O)C 273464a_100000209980_100000209853 [0,0,0,0,0,2|2,0,0]=4 10187 B13R0.188 COCCNC(=O)NCCOC(=O)C 273464a_100000209980_100000724843 [0,0,0,0,0,2|2,0,0]=4 10188 B13R0.188 COCCNC(=O)NCCOC(=O)C 273464a_100000724843_100000209980 [0,0,0,0,0,2|2,0,0]=4 10189 B13R0.188 COCCNC(=O)NCCSC(=O)C 2708a_100020647217_100000209980 [0,0,0,0,0,2|2,0,0]=4 10190 B13R0.188 COCCNC(=O)NCCSC(=O)C 273464a_100000209980_100020647217 [0,0,0,0,0,2|2,0,0]=4 10191 B13R0.188 COCCNC(=O)NCCSC(=O)C 273464a_100020647217_100000209980 [0,0,0,0,0,2|2,0,0]=4 10192 B13R0.188 COCCOC(=O)CNCC=C(C)C 34a_100000718196_200000040189 [0,0,0,0,0,2|2,0,0]=4 10193 B13R0.188 COCCOC(=O)CNOCC(=O)O 269956a_100000106656_200000040189 [0,0,0,0,0,2|2,0,0]=4 10194 B13R0.188 COCCOC(=O)COCC=C(C)C 34a_100000753907_200000040189 [0,0,0,0,0,2|2,0,0]=4 10195 B13R0.188 COCCOC(=O)COCCC(=O)C 34a_100000759926_200000040189 [0,0,0,0,0,2|1,0,0]=3 10196 B13R0.188 COCCOC(=O)COCCC(=O)C 7a_100000759926_200000040189 [0,0,0,0,0,2|1,0,0]=3 10197 B13R0.188 COCCOC(=O)COCCC(=O)N 34a_100000757172_200000040189 [0,0,0,0,0,2|2,0,0]=4 10198 B13R0.188 COCCOC(=O)COCCC(=O)N 7a_100000757172_200000040189 [0,0,0,0,0,2|2,0,0]=4 10199 B13R0.188 COCCOC(=O)CSCC=C(C)C 62a_100000761012_200000040189 [0,0,0,0,0,2|2,0,0]=4 10200 B13R0.188 COCCOC(=O)CSCC=C(C)C 62a_200000040189_100000761012 [0,0,0,0,0,2|2,0,0]=4 10201 B13R0.188 COCCOC(=O)CSCCC(=O)C 62a_100000053229_200000040189 [0,0,0,0,0,2|1,0,0]=3 10202 B13R0.188 COCCOC(=O)CSCCC(=O)C 62a_200000040189_100000053229 [0,0,0,0,0,2|1,0,0]=3 10203 B13R0.188 COCCOC(=O)CSCCC(=O)N 62a_100000744528_200000040189 [0,0,0,0,0,2|2,0,0]=4 10204 B13R0.188 COCCOC(=O)CSCCC(=O)N 62a_200000040189_100000744528 [0,0,0,0,0,2|2,0,0]=4 10205 B13R0.188 COCCOC(=O)CSCOC(=O)C 62a_100000076356_200000040189 [0,0,0,0,0,2|1,0,0]=3 10206 B13R0.188 COCCOC(=O)CSCOC(=O)C 62a_200000040189_100000076356 [0,0,0,0,0,2|1,0,0]=3 10207 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,0,0,0,0,2|2,0,0]=4 10208 B13R0.188 CSCCCC(=O)CCCOC(=O)C 1458a_100000173376_100000042594 [0,0,0,0,0,2|2,0,0]=4 10209 B13R0.188 CSCCCC(=O)CCCSC(=O)C 1458a_100000173376_100000038929 [0,0,0,0,0,2|2,0,0]=4 10210 B13R0.188 CSCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000173376 [0,0,0,0,0,2|2,0,0]=4 10211 B13R0.188 CSCCCC(=O)NCCNC(=O)C 527a_100000209853_100000173376 [0,0,0,0,0,2|2,0,0]=4 10212 B13R0.188 CSCCCC(=O)NCCOC(=O)C 11a_100000724843_100000173376 [0,0,0,0,0,2|2,0,0]=4 10213 B13R0.188 CSCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000173376 [0,0,0,0,0,2|2,0,0]=4 10214 B13R0.188 CSCCCC(=O)NCCOC(=O)C 527a_100000724843_100000173376 [0,0,0,0,0,2|2,0,0]=4 10215 B13R0.188 CSCCCC(=O)NCCSC(=O)C 11a_100020647217_100000173376 [0,0,0,0,0,2|2,0,0]=4 10216 B13R0.188 CSCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000173376 [0,0,0,0,0,2|2,0,0]=4 10217 B13R0.188 CSCCCC(=O)NCCSC(=O)C 527a_100020647217_100000173376 [0,0,0,0,0,2|2,0,0]=4 10218 B13R0.188 CSCCNC(=O)CCCNC(=O)C 11a_100020590264_100000194741 [0,0,0,0,0,2|2,0,0]=4 10219 B13R0.188 CSCCNC(=O)CCCNC(=O)C 1626a_100020590264_100000194741 [0,0,0,0,0,2|2,0,0]=4 10220 B13R0.188 CSCCNC(=O)CCCNC(=O)C 240690a_100020590264_100000194741 [0,0,0,0,0,2|2,0,0]=4 10221 B13R0.188 CSCCNC(=O)CCCNC(=O)C 527a_100020590264_100000194741 [0,0,0,0,0,2|2,0,0]=4 10222 B13R0.188 CSCCNC(=O)NCCNC(=O)C 2708a_100000209853_100020590264 [0,0,0,0,0,2|2,0,0]=4 10223 B13R0.188 CSCCNC(=O)NCCNC(=O)C 2708a_100020590264_100000209853 [0,0,0,0,0,2|2,0,0]=4 10224 B13R0.188 CSCCNC(=O)NCCNC(=O)C 273464a_100000209853_100020590264 [0,0,0,0,0,2|2,0,0]=4 10225 B13R0.188 CSCCNC(=O)NCCNC(=O)C 273464a_100020590264_100000209853 [0,0,0,0,0,2|2,0,0]=4 10226 B13R0.188 CSCCNC(=O)NCCNC(=O)C 512a_100000209853_100020590264 [0,0,0,0,0,2|2,0,0]=4 10227 B13R0.188 CSCCNC(=O)NCCNC(=O)C 512a_100020590264_100000209853 [0,0,0,0,0,2|2,0,0]=4 10228 B13R0.188 CSCCNC(=O)NCCOC(=O)C 2708a_100020590264_100000724843 [0,0,0,0,0,2|2,0,0]=4 10229 B13R0.188 CSCCNC(=O)NCCOC(=O)C 273464a_100000724843_100020590264 [0,0,0,0,0,2|2,0,0]=4 10230 B13R0.188 CSCCNC(=O)NCCOC(=O)C 273464a_100020590264_100000724843 [0,0,0,0,0,2|2,0,0]=4 10231 B13R0.188 CSCCNC(=O)NCCOC(=O)C 512a_100000724843_100020590264 [0,0,0,0,0,2|2,0,0]=4 10232 B13R0.188 CSCCNC(=O)NCCOC(=O)C 512a_100020590264_100000724843 [0,0,0,0,0,2|2,0,0]=4 10233 B13R0.188 CSCCNC(=O)NCCSC(=O)C 2708a_100020590264_100020647217 [0,0,0,0,0,2|2,0,0]=4 10234 B13R0.188 CSCCNC(=O)NCCSC(=O)C 2708a_100020647217_100020590264 [0,0,0,0,0,2|2,0,0]=4 10235 B13R0.188 CSCCNC(=O)NCCSC(=O)C 273464a_100020590264_100020647217 [0,0,0,0,0,2|2,0,0]=4 10236 B13R0.188 CSCCNC(=O)NCCSC(=O)C 273464a_100020647217_100020590264 [0,0,0,0,0,2|2,0,0]=4 10237 B13R0.188 CSCCNC(=O)NCCSC(=O)C 512a_100020590264_100020647217 [0,0,0,0,0,2|2,0,0]=4 10238 B13R0.188 CSCCNC(=O)NCCSC(=O)C 512a_100020647217_100020590264 [0,0,0,0,0,2|2,0,0]=4