0 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.47 C#CCCCC(=O)CCCCOC 1458a_100000690238_100000755781 [0,0,0,0,0,0|1,1,2]=4 3 B12R0.47 C#CCCCC(=O)NCCCCC 11a_100000209983_100000690238 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.47 C#CCCCC(=O)NCCCCC 1626a_100000209983_100000690238 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.47 C#CCCCC(=O)NCCCCC 240690a_100000209983_100000690238 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.47 C#CCCCC(=O)NCCCCC 527a_100000209983_100000690238 [0,0,0,0,0,0|2,0,2]=4 7 B12R0.47 C#CCCCC(=O)NCCCOC 1626a_100150723488_100000690238 [0,0,0,0,0,0|1,1,2]=4 8 B12R0.47 C#CCCCC(=O)NCCCOC 240690a_100150723488_100000690238 [0,0,0,0,0,0|1,1,2]=4 9 B12R0.47 C#CCCCC(=O)NCCCOC 527a_100150723488_100000690238 [0,0,0,0,0,0|1,1,2]=4 10 B12R0.47 C#CCCCC(=O)NCCCSC 11a_100000749238_100000690238 [0,0,0,0,0,0|1,0,2]=3 11 B12R0.47 C#CCCCC(=O)NCCCSC 1626a_100000749238_100000690238 [0,0,0,0,0,0|1,0,2]=3 12 B12R0.47 C#CCCCC(=O)NCCCSC 240690a_100000749238_100000690238 [0,0,0,0,0,0|1,0,2]=3 13 B12R0.47 C#CCCCC(=O)NCCCSC 527a_100000749238_100000690238 [0,0,0,0,0,0|1,0,2]=3 14 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [0,0,0,0,0,0|2,0,1]=3 15 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [0,0,0,0,0,0|2,0,1]=3 16 B12R0.47 C#CCCCCC(=O)CCCCF 1458a_100000696528_100000729493 [0,0,0,0,0,0|3,0,1]=4 17 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000695505_100010269958 [0,0,0,0,0,0|3,0,1]=4 18 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000696528_100000210776 [0,0,0,0,0,0|3,0,1]=4 19 B12R0.47 C#CCCCCC(=O)CCCOC 1458a_100000696528_100000740836 [0,0,0,0,0,0|3,0,1]=4 20 B12R0.47 C#CCCCCC(=O)CCCOC 1458a_100000741012_100010269958 [0,0,0,0,0,0|3,0,1]=4 21 B12R0.47 C#CCCCCC(=O)CCCSC 1458a_100000173376_100010269958 [0,0,0,0,0,0|3,0,1]=4 22 B12R0.47 C#CCCCCC(=O)CCOCC 1458a_100000696528_100011215890 [0,0,0,0,0,0|3,0,1]=4 23 B12R0.47 C#CCCCCC(=O)CCOCC 1458a_100000749530_100010269958 [0,0,0,0,0,0|3,0,1]=4 24 B12R0.47 C#CCCCCC(=O)CCSCC 1458a_100000230768_100010269958 [0,0,0,0,0,0|3,0,1]=4 25 B12R0.47 C#CCCCCC(=O)CCSCC 1458a_100000696528_100000757381 [0,0,0,0,0,0|3,0,1]=4 26 B12R0.47 C#CCCCCC(=O)COCCC 1458a_100000745993_100010269958 [0,0,0,0,0,0|3,0,1]=4 27 B12R0.47 C#CCCCCC(=O)CSCCC 1458a_100000217233_100010269958 [0,0,0,0,0,0|3,0,1]=4 28 B12R0.47 C#CCCCCC(=O)NCCCC 11a_100000102301_100000696528 [0,0,0,0,0,0|3,0,1]=4 29 B12R0.47 C#CCCCCC(=O)NCCCC 1626a_100000102301_100000696528 [0,0,0,0,0,0|3,0,1]=4 30 B12R0.47 C#CCCCCC(=O)NCCCC 240690a_100000102301_100000696528 [0,0,0,0,0,0|3,0,1]=4 31 B12R0.47 C#CCCCCC(=O)NCCCC 527a_100000102301_100000696528 [0,0,0,0,0,0|3,0,1]=4 32 B12R0.47 C#CCCCNC(=O)CCCCC 11a_100000718082_100000212188 [0,0,0,0,0,0|2,0,1]=3 33 B12R0.47 C#CCCCNC(=O)CCCCC 1626a_100000718082_100000212188 [0,0,0,0,0,0|2,0,1]=3 34 B12R0.47 C#CCCCNC(=O)CCCCC 240690a_100000718082_100000212188 [0,0,0,0,0,0|2,0,1]=3 35 B12R0.47 C#CCCCNC(=O)CCCCC 527a_100000718082_100000212188 [0,0,0,0,0,0|2,0,1]=3 36 B12R0.47 C#CCCCNC(=O)CCCCO 1626a_100000718082_100000695505 [0,0,0,0,0,0|3,0,1]=4 37 B12R0.47 C#CCCCNC(=O)CCCOC 11a_100000718082_100000741012 [0,0,0,0,0,0|3,0,1]=4 38 B12R0.47 C#CCCCNC(=O)CCCOC 1626a_100000718082_100000741012 [0,0,0,0,0,0|3,0,1]=4 39 B12R0.47 C#CCCCNC(=O)CCCOC 240690a_100000718082_100000741012 [0,0,0,0,0,0|3,0,1]=4 40 B12R0.47 C#CCCCNC(=O)CCCOC 527a_100000718082_100000741012 [0,0,0,0,0,0|3,0,1]=4 41 B12R0.47 C#CCCCNC(=O)CCCSC 11a_100000718082_100000173376 [0,0,0,0,0,0|3,0,1]=4 42 B12R0.47 C#CCCCNC(=O)CCCSC 1626a_100000718082_100000173376 [0,0,0,0,0,0|3,0,1]=4 43 B12R0.47 C#CCCCNC(=O)CCCSC 240690a_100000718082_100000173376 [0,0,0,0,0,0|3,0,1]=4 44 B12R0.47 C#CCCCNC(=O)CCCSC 527a_100000718082_100000173376 [0,0,0,0,0,0|3,0,1]=4 45 B12R0.47 C#CCCCNC(=O)CCOCC 11a_100000718082_100000749530 [0,0,0,0,0,0|3,0,1]=4 46 B12R0.47 C#CCCCNC(=O)CCOCC 1626a_100000718082_100000749530 [0,0,0,0,0,0|3,0,1]=4 47 B12R0.47 C#CCCCNC(=O)CCOCC 240690a_100000718082_100000749530 [0,0,0,0,0,0|3,0,1]=4 48 B12R0.47 C#CCCCNC(=O)CCOCC 527a_100000718082_100000749530 [0,0,0,0,0,0|3,0,1]=4 49 B12R0.47 C#CCCCNC(=O)CCSCC 11a_100000718082_100000230768 [0,0,0,0,0,0|3,0,1]=4 50 B12R0.47 C#CCCCNC(=O)CCSCC 1626a_100000718082_100000230768 [0,0,0,0,0,0|3,0,1]=4 51 B12R0.47 C#CCCCNC(=O)CCSCC 240690a_100000718082_100000230768 [0,0,0,0,0,0|3,0,1]=4 52 B12R0.47 C#CCCCNC(=O)CCSCC 527a_100000718082_100000230768 [0,0,0,0,0,0|3,0,1]=4 53 B12R0.47 C#CCCCNC(=O)COCCC 11a_100000718082_100000745993 [0,0,0,0,0,0|3,0,1]=4 54 B12R0.47 C#CCCCNC(=O)COCCC 1626a_100000718082_100000745993 [0,0,0,0,0,0|3,0,1]=4 55 B12R0.47 C#CCCCNC(=O)COCCC 240690a_100000718082_100000745993 [0,0,0,0,0,0|3,0,1]=4 56 B12R0.47 C#CCCCNC(=O)COCCC 527a_100000718082_100000745993 [0,0,0,0,0,0|3,0,1]=4 57 B12R0.47 C#CCCCNC(=O)CSCCC 11a_100000718082_100000217233 [0,0,0,0,0,0|3,0,1]=4 58 B12R0.47 C#CCCCNC(=O)CSCCC 1626a_100000718082_100000217233 [0,0,0,0,0,0|3,0,1]=4 59 B12R0.47 C#CCCCNC(=O)CSCCC 240690a_100000718082_100000217233 [0,0,0,0,0,0|3,0,1]=4 60 B12R0.47 C#CCCCNC(=O)CSCCC 527a_100000718082_100000217233 [0,0,0,0,0,0|3,0,1]=4 61 B12R0.47 C#CCCCNC(=O)NCCCC 2708a_100000102301_100000718082 [0,0,0,0,0,0|3,0,1]=4 62 B12R0.47 C#CCCCNC(=O)NCCCC 2708a_100000718082_100000102301 [0,0,0,0,0,0|3,0,1]=4 63 B12R0.47 C#CCCCNC(=O)NCCCC 273464a_100000102301_100000718082 [0,0,0,0,0,0|3,0,1]=4 64 B12R0.47 C#CCCCNC(=O)NCCCC 273464a_100000718082_100000102301 [0,0,0,0,0,0|3,0,1]=4 65 B12R0.47 C#CCCCNC(=O)NCCCC 512a_100000102301_100000718082 [0,0,0,0,0,0|3,0,1]=4 66 B12R0.47 C#CCCCNC(=O)NCCCC 512a_100000718082_100000102301 [0,0,0,0,0,0|3,0,1]=4 67 B12R0.47 C#CCCCOC(C)CCCCC 34a_100000215630_200011218191 [0,0,0,0,0,0|2,0,2]=4 68 B12R0.47 C#CCCCOC(C)CCCCC 34a_100011215632_100000695029 [0,0,0,0,0,0|2,0,2]=4 69 B12R0.47 C#CCCCOC(C)CCCCC 7a_100000215630_200011218191 [0,0,0,0,0,0|2,0,2]=4 70 B12R0.47 C#CCCCOC(C)CCCCC 7a_100011215632_100011215417 [0,0,0,0,0,0|2,0,2]=4 71 B12R0.47 C#CCCNC(=O)NCCCSC 2708a_100000749238_100000755551 [0,0,0,0,0,0|2,0,2]=4 72 B12R0.47 C#CCCNC(=O)NCCCSC 2708a_100000755551_100000749238 [0,0,0,0,0,0|2,0,2]=4 73 B12R0.47 C#CCCNC(=O)NCCCSC 273464a_100000749238_100000755551 [0,0,0,0,0,0|2,0,2]=4 74 B12R0.47 C#CCCNC(=O)NCCCSC 273464a_100000755551_100000749238 [0,0,0,0,0,0|2,0,2]=4 75 B12R0.47 C#CCCNC(=O)NCCCSC 512a_100000749238_100000755551 [0,0,0,0,0,0|2,0,2]=4 76 B12R0.47 C#CCCNC(=O)NCCCSC 512a_100000755551_100000749238 [0,0,0,0,0,0|2,0,2]=4 77 B12R0.47 C#CCCNCC(=O)CCCCC 34a_100000755551_200012276598 [0,0,0,0,0,0|3,0,1]=4 78 B12R0.47 C#CCCOCC(=O)CCCCC 34a_100011215631_200012276598 [0,0,0,0,0,0|3,0,1]=4 79 B12R0.47 C#CCCSCC(=O)CCCCC 62a_100000688953_200012276598 [0,0,0,0,0,0|3,0,1]=4 80 B12R0.47 C#CCCSCC(=O)CCCCC 62a_200012276598_100000688953 [0,0,0,0,0,0|3,0,1]=4 81 B12R0.47 C#CCOCC(=O)NCCCSC 11a_100000749238_100011251226 [0,0,0,0,0,0|2,0,2]=4 82 B12R0.47 C#CCOCC(=O)NCCCSC 1626a_100000749238_100011251226 [0,0,0,0,0,0|2,0,2]=4 83 B12R0.47 C#CCOCC(=O)NCCCSC 527a_100000749238_100011251226 [0,0,0,0,0,0|2,0,2]=4 84 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000212188_100010402529 [0,0,0,0,0,0|3,0,1]=4 85 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000693358_100000210326 [0,0,0,0,0,0|3,0,1]=4 86 B12R0.47 C/C=C/CCOC(C)CCCCC 34a_100016278192_200011218191 [0,0,0,0,0,0|2,0,2]=4 87 B12R0.47 C/C=C/COCC(=O)CCCCC 34a_100016270725_200012276598 [0,0,0,0,0,0|3,0,1]=4 88 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_100102629194_200012276598 [0,0,0,0,0,0|3,0,1]=4 89 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_200012276598_100102629194 [0,0,0,0,0,0|3,0,1]=4 90 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,0,0,0,0,0|2,0,2]=4 91 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,0,0,0,0,0|2,0,2]=4 92 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,0,0,0,0,0|1,1,2]=4 93 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,0,0,0,0,0|2,0,2]=4 94 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,0,0,0,0,0|2,0,2]=4 95 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,0,0,0,0,0|2,0,2]=4 96 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,0,0,0,0,0|2,0,2]=4 97 B12R0.47 C=CCCCC(=O)NCCCOC 1626a_100150723488_100000766728 [0,0,0,0,0,0|1,1,2]=4 98 B12R0.47 C=CCCCC(=O)NCCCOC 240690a_100150723488_100000766728 [0,0,0,0,0,0|1,1,2]=4 99 B12R0.47 C=CCCCC(=O)NCCCOC 527a_100150723488_100000766728 [0,0,0,0,0,0|1,1,2]=4 100 B12R0.47 C=CCCCC(=O)NCCCSC 11a_100000749238_100000766728 [0,0,0,0,0,0|1,0,2]=3 101 B12R0.47 C=CCCCC(=O)NCCCSC 1626a_100000749238_100000766728 [0,0,0,0,0,0|1,0,2]=3 102 B12R0.47 C=CCCCC(=O)NCCCSC 240690a_100000749238_100000766728 [0,0,0,0,0,0|1,0,2]=3 103 B12R0.47 C=CCCCC(=O)NCCCSC 527a_100000749238_100000766728 [0,0,0,0,0,0|1,0,2]=3 104 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,0,0,0,0,0|2,0,1]=3 105 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,0,0,0,0,0|2,0,1]=3 106 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [0,0,0,0,0,0|3,0,1]=4 107 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,0,0,0,0,0|3,0,1]=4 108 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,0,0,0,0,0|3,0,1]=4 109 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [0,0,0,0,0,0|3,0,1]=4 110 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [0,0,0,0,0,0|3,0,1]=4 111 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [0,0,0,0,0,0|3,0,1]=4 112 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [0,0,0,0,0,0|3,0,1]=4 113 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [0,0,0,0,0,0|3,0,1]=4 114 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100000230768_100011215482 [0,0,0,0,0,0|3,0,1]=4 115 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100011215552_100000757381 [0,0,0,0,0,0|3,0,1]=4 116 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [0,0,0,0,0,0|3,0,1]=4 117 B12R0.47 C=CCCCCC(=O)CSCCC 1458a_100000217233_100011215482 [0,0,0,0,0,0|3,0,1]=4 118 B12R0.47 C=CCCCCC(=O)NCCCC 11a_100000102301_100011215552 [0,0,0,0,0,0|3,0,1]=4 119 B12R0.47 C=CCCCCC(=O)NCCCC 1626a_100000102301_100011215552 [0,0,0,0,0,0|3,0,1]=4 120 B12R0.47 C=CCCCCC(=O)NCCCC 240690a_100000102301_100011215552 [0,0,0,0,0,0|3,0,1]=4 121 B12R0.47 C=CCCCCC(=O)NCCCC 527a_100000102301_100011215552 [0,0,0,0,0,0|3,0,1]=4 122 B12R0.47 C=CCCCNC(=O)CCCCC 11a_100000700776_100000212188 [0,0,0,0,0,0|2,0,1]=3 123 B12R0.47 C=CCCCNC(=O)CCCCC 1626a_100000700776_100000212188 [0,0,0,0,0,0|2,0,1]=3 124 B12R0.47 C=CCCCNC(=O)CCCCC 240690a_100000700776_100000212188 [0,0,0,0,0,0|2,0,1]=3 125 B12R0.47 C=CCCCNC(=O)CCCCC 527a_100000700776_100000212188 [0,0,0,0,0,0|2,0,1]=3 126 B12R0.47 C=CCCCNC(=O)CCCCO 1626a_100000700776_100000695505 [0,0,0,0,0,0|3,0,1]=4 127 B12R0.47 C=CCCCNC(=O)CCCOC 11a_100000700776_100000741012 [0,0,0,0,0,0|3,0,1]=4 128 B12R0.47 C=CCCCNC(=O)CCCOC 1626a_100000700776_100000741012 [0,0,0,0,0,0|3,0,1]=4 129 B12R0.47 C=CCCCNC(=O)CCCOC 240690a_100000700776_100000741012 [0,0,0,0,0,0|3,0,1]=4 130 B12R0.47 C=CCCCNC(=O)CCCOC 527a_100000700776_100000741012 [0,0,0,0,0,0|3,0,1]=4 131 B12R0.47 C=CCCCNC(=O)CCCSC 11a_100000700776_100000173376 [0,0,0,0,0,0|3,0,1]=4 132 B12R0.47 C=CCCCNC(=O)CCCSC 1626a_100000700776_100000173376 [0,0,0,0,0,0|3,0,1]=4 133 B12R0.47 C=CCCCNC(=O)CCCSC 240690a_100000700776_100000173376 [0,0,0,0,0,0|3,0,1]=4 134 B12R0.47 C=CCCCNC(=O)CCCSC 527a_100000700776_100000173376 [0,0,0,0,0,0|3,0,1]=4 135 B12R0.47 C=CCCCNC(=O)CCOCC 11a_100000700776_100000749530 [0,0,0,0,0,0|3,0,1]=4 136 B12R0.47 C=CCCCNC(=O)CCOCC 1626a_100000700776_100000749530 [0,0,0,0,0,0|3,0,1]=4 137 B12R0.47 C=CCCCNC(=O)CCOCC 240690a_100000700776_100000749530 [0,0,0,0,0,0|3,0,1]=4 138 B12R0.47 C=CCCCNC(=O)CCOCC 527a_100000700776_100000749530 [0,0,0,0,0,0|3,0,1]=4 139 B12R0.47 C=CCCCNC(=O)CCSCC 11a_100000700776_100000230768 [0,0,0,0,0,0|3,0,1]=4 140 B12R0.47 C=CCCCNC(=O)CCSCC 1626a_100000700776_100000230768 [0,0,0,0,0,0|3,0,1]=4 141 B12R0.47 C=CCCCNC(=O)CCSCC 240690a_100000700776_100000230768 [0,0,0,0,0,0|3,0,1]=4 142 B12R0.47 C=CCCCNC(=O)CCSCC 527a_100000700776_100000230768 [0,0,0,0,0,0|3,0,1]=4 143 B12R0.47 C=CCCCNC(=O)COCCC 11a_100000700776_100000745993 [0,0,0,0,0,0|3,0,1]=4 144 B12R0.47 C=CCCCNC(=O)COCCC 1626a_100000700776_100000745993 [0,0,0,0,0,0|3,0,1]=4 145 B12R0.47 C=CCCCNC(=O)COCCC 240690a_100000700776_100000745993 [0,0,0,0,0,0|3,0,1]=4 146 B12R0.47 C=CCCCNC(=O)COCCC 527a_100000700776_100000745993 [0,0,0,0,0,0|3,0,1]=4 147 B12R0.47 C=CCCCNC(=O)CSCCC 11a_100000700776_100000217233 [0,0,0,0,0,0|3,0,1]=4 148 B12R0.47 C=CCCCNC(=O)CSCCC 1626a_100000700776_100000217233 [0,0,0,0,0,0|3,0,1]=4 149 B12R0.47 C=CCCCNC(=O)CSCCC 240690a_100000700776_100000217233 [0,0,0,0,0,0|3,0,1]=4 150 B12R0.47 C=CCCCNC(=O)CSCCC 527a_100000700776_100000217233 [0,0,0,0,0,0|3,0,1]=4 151 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000102301_100000700776 [0,0,0,0,0,0|3,0,1]=4 152 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000700776_100000102301 [0,0,0,0,0,0|3,0,1]=4 153 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000102301_100000700776 [0,0,0,0,0,0|3,0,1]=4 154 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000700776_100000102301 [0,0,0,0,0,0|3,0,1]=4 155 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000102301_100000700776 [0,0,0,0,0,0|3,0,1]=4 156 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000700776_100000102301 [0,0,0,0,0,0|3,0,1]=4 157 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,0,0,0,0,0|2,0,2]=4 158 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,0,0,0,0,0|2,0,2]=4 159 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,0,0,0,0,0|2,0,2]=4 160 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,0,0,0,0,0|2,0,2]=4 161 B12R0.47 C=CCCNC(=O)NCCCSC 2708a_100000749238_100015191253 [0,0,0,0,0,0|2,0,2]=4 162 B12R0.47 C=CCCNC(=O)NCCCSC 2708a_100015191253_100000749238 [0,0,0,0,0,0|2,0,2]=4 163 B12R0.47 C=CCCNC(=O)NCCCSC 273464a_100000749238_100015191253 [0,0,0,0,0,0|2,0,2]=4 164 B12R0.47 C=CCCNC(=O)NCCCSC 273464a_100015191253_100000749238 [0,0,0,0,0,0|2,0,2]=4 165 B12R0.47 C=CCCNC(=O)NCCCSC 512a_100000749238_100015191253 [0,0,0,0,0,0|2,0,2]=4 166 B12R0.47 C=CCCNC(=O)NCCCSC 512a_100015191253_100000749238 [0,0,0,0,0,0|2,0,2]=4 167 B12R0.47 C=CCCNCC(=O)CCCCC 2230a_100015191253_200012276598 [0,0,0,0,0,0|3,0,1]=4 168 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [0,0,0,0,0,0|3,0,1]=4 169 B12R0.47 C=CCCSCC(=O)CCCCC 62a_100000754431_200012276598 [0,0,0,0,0,0|3,0,1]=4 170 B12R0.47 C=CCCSCC(=O)CCCCC 62a_200012276598_100000754431 [0,0,0,0,0,0|3,0,1]=4 171 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [0,0,0,0,0,0|3,0,1]=4 172 B12R0.47 C=CCSCC(=O)NCCCSC 11a_100000749238_100000230395 [0,0,0,0,0,0|2,0,2]=4 173 B12R0.47 C=CCSCC(=O)NCCCSC 1626a_100000749238_100000230395 [0,0,0,0,0,0|2,0,2]=4 174 B12R0.47 C=CCSCC(=O)NCCCSC 240690a_100000749238_100000230395 [0,0,0,0,0,0|2,0,2]=4 175 B12R0.47 C=CCSCC(=O)NCCCSC 527a_100000749238_100000230395 [0,0,0,0,0,0|2,0,2]=4 176 B12R0.47 CC#CCCOC(C)CCCCC 34a_100000750427_200011218191 [0,0,0,0,0,0|2,0,2]=4 177 B12R0.47 CC#CCNC(=O)NCCCSC 2708a_100000749238_100000685387 [0,0,0,0,0,0|2,0,2]=4 178 B12R0.47 CC#CCNC(=O)NCCCSC 273464a_100000685387_100000749238 [0,0,0,0,0,0|2,0,2]=4 179 B12R0.47 CC#CCNC(=O)NCCCSC 273464a_100000749238_100000685387 [0,0,0,0,0,0|2,0,2]=4 180 B12R0.47 CC#CCNC(=O)NCCCSC 512a_100000685387_100000749238 [0,0,0,0,0,0|2,0,2]=4 181 B12R0.47 CC#CCNC(=O)NCCCSC 512a_100000749238_100000685387 [0,0,0,0,0,0|2,0,2]=4 182 B12R0.47 CC#CCNCC(=O)CCCCC 2230a_100000685387_200012276598 [0,0,0,0,0,0|3,0,1]=4 183 B12R0.47 CC#CCNCC(=O)CCCCC 34a_100000685387_200012276598 [0,0,0,0,0,0|3,0,1]=4 184 B12R0.47 CC#CCOCC(=O)CCCCC 34a_100000761923_200012276598 [0,0,0,0,0,0|3,0,1]=4 185 B12R0.47 CC#CCSCC(=O)CCCCC 62a_100000748600_200012276598 [0,0,0,0,0,0|3,0,1]=4 186 B12R0.47 CC#CCSCC(=O)CCCCC 62a_200012276598_100000748600 [0,0,0,0,0,0|3,0,1]=4 187 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,0,0,0,0,0|2,0,2]=4 188 B12R0.47 CC/C=C/CC(=O)CCCCOC 1458a_100016274230_100000755781 [0,0,0,0,0,0|1,1,2]=4 189 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [0,0,0,0,0,0|2,0,2]=4 190 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [0,0,0,0,0,0|2,0,2]=4 191 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [0,0,0,0,0,0|2,0,2]=4 192 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [0,0,0,0,0,0|2,0,2]=4 193 B12R0.47 CC/C=C/CC(=O)NCCCOC 1626a_100150723488_100016274230 [0,0,0,0,0,0|1,1,2]=4 194 B12R0.47 CC/C=C/CC(=O)NCCCOC 240690a_100150723488_100016274230 [0,0,0,0,0,0|1,1,2]=4 195 B12R0.47 CC/C=C/CC(=O)NCCCOC 527a_100150723488_100016274230 [0,0,0,0,0,0|1,1,2]=4 196 B12R0.47 CC/C=C/CC(=O)NCCCSC 11a_100000749238_100016274230 [0,0,0,0,0,0|1,0,2]=3 197 B12R0.47 CC/C=C/CC(=O)NCCCSC 1626a_100000749238_100016274230 [0,0,0,0,0,0|1,0,2]=3 198 B12R0.47 CC/C=C/CC(=O)NCCCSC 240690a_100000749238_100016274230 [0,0,0,0,0,0|1,0,2]=3 199 B12R0.47 CC/C=C/CC(=O)NCCCSC 527a_100000749238_100016274230 [0,0,0,0,0,0|1,0,2]=3 200 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,0,0,0,0,0|2,0,2]=4 201 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [0,0,0,0,0,0|2,0,2]=4 202 B12R0.47 CC=CCSCC(=O)CCCCC 62a_100000070051_200012276598 [0,0,0,0,0,0|3,0,1]=4 203 B12R0.47 CC=CCSCC(=O)CCCCC 62a_200012276598_100000070051 [0,0,0,0,0,0|3,0,1]=4 204 B12R0.47 CCC#CCC(=O)CCCCCC 1458a_100102632555_100009813939 [0,0,0,0,0,0|2,0,2]=4 205 B12R0.47 CCC/C=C/CC(=O)CCCCC 1458a_200016266809_100000210326 [0,0,0,0,0,0|2,0,2]=4 206 B12R0.47 CCCC#CC(=O)CCCCCC 1458a_200011218047_100000210757 [0,0,0,0,0,0|2,0,2]=4 207 B12R0.47 CCCC#CC(=O)CCCCOC 1458a_200011218047_100000755781 [0,0,0,0,0,0|1,1,2]=4 208 B12R0.47 CCCC#CC(=O)NCCCCC 240690a_100000209983_200011218047 [0,0,0,0,0,0|2,0,2]=4 209 B12R0.47 CCCC#CC(=O)NCCCOC 240690a_100150723488_200011218047 [0,0,0,0,0,0|1,1,2]=4 210 B12R0.47 CCCC#CC(=O)NCCCSC 240690a_100000749238_200011218047 [0,0,0,0,0,0|1,0,2]=3 211 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [0,0,0,0,0,0|2,0,2]=4 212 B12R0.47 CCCC=CC(=O)CCCCOC 1458a_100000212230_100000755781 [0,0,0,0,0,0|1,1,2]=4 213 B12R0.47 CCCC=CC(=O)NCCCCC 11a_100000209983_100000212230 [0,0,0,0,0,0|2,0,2]=4 214 B12R0.47 CCCC=CC(=O)NCCCCC 1626a_100000209983_100000212230 [0,0,0,0,0,0|2,0,2]=4 215 B12R0.47 CCCC=CC(=O)NCCCCC 240690a_100000209983_100000212230 [0,0,0,0,0,0|2,0,2]=4 216 B12R0.47 CCCC=CC(=O)NCCCOC 1626a_100150723488_100000212230 [0,0,0,0,0,0|1,1,2]=4 217 B12R0.47 CCCC=CC(=O)NCCCOC 240690a_100150723488_100000212230 [0,0,0,0,0,0|1,1,2]=4 218 B12R0.47 CCCC=CC(=O)NCCCSC 11a_100000749238_100000212230 [0,0,0,0,0,0|1,0,2]=3 219 B12R0.47 CCCC=CC(=O)NCCCSC 1626a_100000749238_100000212230 [0,0,0,0,0,0|1,0,2]=3 220 B12R0.47 CCCC=CC(=O)NCCCSC 240690a_100000749238_100000212230 [0,0,0,0,0,0|1,0,2]=3 221 B12R0.47 CCCC=NNC(=O)CCCCC 4a_100000189784_100000185831 [0,0,0,0,0,0|3,0,1]=4 222 B12R0.47 CCCCC=CC(=O)CCCCC 1458a_100016266645_100000210326 [0,0,0,0,0,0|2,0,1]=3 223 B12R0.47 CCCCC=CC(=O)CCCCF 1458a_100016266645_100000729493 [0,0,0,0,0,0|3,0,1]=4 224 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [0,0,0,0,0,0|3,0,1]=4 225 B12R0.47 CCCCC=CC(=O)CCCOC 1458a_100016266645_100000740836 [0,0,0,0,0,0|3,0,1]=4 226 B12R0.47 CCCCC=CC(=O)CCOCC 1458a_100016266645_100011215890 [0,0,0,0,0,0|3,0,1]=4 227 B12R0.47 CCCCC=CC(=O)CCSCC 1458a_100016266645_100000757381 [0,0,0,0,0,0|3,0,1]=4 228 B12R0.47 CCCCC=CC(=O)NCCCC 11a_100000102301_100016266645 [0,0,0,0,0,0|3,0,1]=4 229 B12R0.47 CCCCC=CC(=O)NCCCC 1626a_100000102301_100016266645 [0,0,0,0,0,0|3,0,1]=4 230 B12R0.47 CCCCC=CC(=O)NCCCC 240690a_100000102301_100016266645 [0,0,0,0,0,0|3,0,1]=4 231 B12R0.47 CCCCCC(=NNCCCC)C 4a_100025702795_100000211708 [0,0,0,0,0,0|4,0,0]=4 232 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [0,0,0,0,0,0|3,0,0]=3 233 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,0,0,0,0,0|3,0,0]=3 234 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,0,0,0,0,0|3,0,0]=3 235 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,0,0,0,0,0|3,0,0]=3 236 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,0,0,0,0,0|1,1,0]=2 237 B12R0.47 CCCCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210326 [0,0,0,0,0,0|4,0,0]=4 238 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [0,0,0,0,0,0|3,0,0]=3 239 B12R0.47 CCCCCC(=O)CCOCC#N 1458a_100000212188_200000047693 [0,0,0,0,0,0|4,0,0]=4 240 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,0,0,0,0,0|3,0,0]=3 241 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [0,0,0,0,0,0|4,0,0]=4 242 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [0,0,0,0,0,0|4,0,0]=4 243 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [0,0,0,0,0,0|3,0,0]=3 244 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [0,0,0,0,0,0|3,0,0]=3 245 B12R0.47 CCCCCC(=O)CNCCCF 2230a_100015189416_200012276598 [0,0,0,0,0,0|4,0,0]=4 246 B12R0.47 CCCCCC(=O)CNCCCF 34a_100015189416_200012276598 [0,0,0,0,0,0|4,0,0]=4 247 B12R0.47 CCCCCC(=O)CNCCOC 2230a_100000209980_200012276598 [0,0,0,0,0,0|2,1,0]=3 248 B12R0.47 CCCCCC(=O)CNCCSC 2230a_100020590264_200012276598 [0,0,0,0,0,0|2,0,0]=2 249 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [0,0,0,0,0,0|4,0,0]=4 250 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,0,0,0,0,0|3,0,0]=3 251 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,0,0,0,0,0|3,0,0]=3 252 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,0,0,0,0,0|3,0,0]=3 253 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,0,0,0,0,0|3,0,0]=3 254 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [0,0,0,0,0,0|4,0,0]=4 255 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [0,0,0,0,0,0|4,0,0]=4 256 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [0,0,0,0,0,0|4,0,0]=4 257 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [0,0,0,0,0,0|2,1,0]=3 258 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [0,0,0,0,0,0|2,1,0]=3 259 B12R0.47 CCCCCC(=O)COCCON 34a_100000700252_200012276598 [0,0,0,0,0,0|3,1,0]=4 260 B12R0.47 CCCCCC(=O)COCCSC 34a_100000230434_200012276598 [0,0,0,0,0,0|2,0,0]=2 261 B12R0.47 CCCCCC(=O)COCCSC 7a_100000230434_200012276598 [0,0,0,0,0,0|2,0,0]=2 262 B12R0.47 CCCCCC(=O)CSCCC#N 62a_100011215226_200012276598 [0,0,0,0,0,0|4,0,0]=4 263 B12R0.47 CCCCCC(=O)CSCCC#N 62a_200012276598_100011215226 [0,0,0,0,0,0|4,0,0]=4 264 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [0,0,0,0,0,0|3,0,0]=3 265 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [0,0,0,0,0,0|3,0,0]=3 266 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [0,0,0,0,0,0|3,0,0]=3 267 B12R0.47 CCCCCC(=O)CSCCCF 62a_100011934791_200012276598 [0,0,0,0,0,0|4,0,0]=4 268 B12R0.47 CCCCCC(=O)CSCCCF 62a_200012276598_100011934791 [0,0,0,0,0,0|4,0,0]=4 269 B12R0.47 CCCCCC(=O)CSCCCO 62a_100011215043_200012276598 [0,0,0,0,0,0|4,0,0]=4 270 B12R0.47 CCCCCC(=O)CSCCCO 62a_200012276598_100011215043 [0,0,0,0,0,0|4,0,0]=4 271 B12R0.47 CCCCCC(=O)CSCCOC 62a_100000233755_200012276598 [0,0,0,0,0,0|2,1,0]=3 272 B12R0.47 CCCCCC(=O)CSCCOC 62a_200012276598_100000233755 [0,0,0,0,0,0|2,1,0]=3 273 B12R0.47 CCCCCC(=O)CSCCSC 62a_100000212216_200012276598 [0,0,0,0,0,0|2,0,0]=2 274 B12R0.47 CCCCCC(=O)CSCCSC 62a_200012276598_100000751147 [0,0,0,0,0,0|2,0,0]=2 275 B12R0.47 CCCCCC(=O)CSCOCC 62a_100000739092_200012276598 [0,0,0,0,0,0|4,0,0]=4 276 B12R0.47 CCCCCC(=O)CSCOCC 62a_200012276598_100000739092 [0,0,0,0,0,0|4,0,0]=4 277 B12R0.47 CCCCCC(=O)NCCCCO 240690a_100000750430_100000212188 [0,0,0,0,0,0|3,0,0]=3 278 B12R0.47 CCCCCC(=O)NCCCCO 527a_100000750430_100000212188 [0,0,0,0,0,0|3,0,0]=3 279 B12R0.47 CCCCCC(=O)NCCCOC 1626a_100150723488_100000212188 [0,0,0,0,0,0|1,1,0]=2 280 B12R0.47 CCCCCC(=O)NCCCOC 240690a_100150723488_100000212188 [0,0,0,0,0,0|1,1,0]=2 281 B12R0.47 CCCCCC(=O)NCCCOC 527a_100150723488_100000212188 [0,0,0,0,0,0|1,1,0]=2 282 B12R0.47 CCCCCC(=O)NCCCSC 11a_100000749238_100000212188 [0,0,0,0,0,0|1,0,0]=1 283 B12R0.47 CCCCCC(=O)NCCCSC 1626a_100000749238_100000212188 [0,0,0,0,0,0|1,0,0]=1 284 B12R0.47 CCCCCC(=O)NCCCSC 240690a_100000749238_100000212188 [0,0,0,0,0,0|1,0,0]=1 285 B12R0.47 CCCCCC(=O)NCCCSC 527a_100000749238_100000212188 [0,0,0,0,0,0|1,0,0]=1 286 B12R0.47 CCCCCC(=O)NCCOCC 11a_100011200944_100000212188 [0,0,0,0,0,0|3,0,0]=3 287 B12R0.47 CCCCCC(=O)NCCOCC 1626a_102516460346_100000212188 [0,0,0,0,0,0|3,0,0]=3 288 B12R0.47 CCCCCC(=O)NCCOCC 240690a_100011200944_100000212188 [0,0,0,0,0,0|3,0,0]=3 289 B12R0.47 CCCCCC(=O)NCCOCC 527a_100011200944_100000212188 [0,0,0,0,0,0|3,0,0]=3 290 B12R0.47 CCCCCC(=O)NCCSCC 11a_100000106463_100000212188 [0,0,0,0,0,0|3,0,0]=3 291 B12R0.47 CCCCCC(=O)NCCSCC 1626a_100000106463_100000212188 [0,0,0,0,0,0|3,0,0]=3 292 B12R0.47 CCCCCC(=O)NCCSCC 240690a_100000106463_100000212188 [0,0,0,0,0,0|3,0,0]=3 293 B12R0.47 CCCCCC(=O)NCCSCC 527a_100000106463_100000212188 [0,0,0,0,0,0|3,0,0]=3 294 B12R0.47 CCCCCC(=O)NNCCC#N 22a_100000229987_100000212188 [0,0,0,0,0,0|4,0,0]=4 295 B12R0.47 CCCCCC(=O)NNCCCC 22a_100025702795_100000212188 [0,0,0,0,0,0|3,0,0]=3 296 B12R0.47 CCCCCC(=O)NNCCOC 22a_100000741390_100000212188 [0,0,0,0,0,0|2,1,0]=3 297 B12R0.47 CCCCCC(C)NCCCOC 2230a_100000211957_100000740836 [0,0,0,0,0,0|2,1,1]=4 298 B12R0.47 CCCCCC(C)NCCCOC 270004a_100150723488_100000211708 [0,0,0,0,0,0|2,1,1]=4 299 B12R0.47 CCCCCC(C)NCCCOC 34a_100150723488_200011218191 [0,0,0,0,0,0|2,1,1]=4 300 B12R0.47 CCCCCC(C)NCCCSC 2230a_100000749238_200011218191 [0,0,0,0,0,0|2,0,1]=3 301 B12R0.47 CCCCCC(C)NCCCSC 270004a_100000749238_100000211708 [0,0,0,0,0,0|2,0,1]=3 302 B12R0.47 CCCCCC(C)OCCCC#N 7a_100011215632_100000687738 [0,0,0,0,0,0|3,0,1]=4 303 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,0,0,0,0,0|3,0,1]=4 304 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [0,0,0,0,0,0|3,0,1]=4 305 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [0,0,0,0,0,0|3,0,1]=4 306 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [0,0,0,0,0,0|3,0,1]=4 307 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [0,0,0,0,0,0|3,0,1]=4 308 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [0,0,0,0,0,0|3,0,1]=4 309 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [0,0,0,0,0,0|3,0,1]=4 310 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [0,0,0,0,0,0|3,0,1]=4 311 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [0,0,0,0,0,0|3,0,1]=4 312 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [0,0,0,0,0,0|3,0,1]=4 313 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,0,0,0,0,0|3,0,1]=4 314 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,0,0,0,0,0|3,0,1]=4 315 B12R0.47 CCCCCC(C)OCCCNC 34a_100000213112_200011218191 [0,0,0,0,0,0|2,0,1]=3 316 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [0,0,0,0,0,0|1,1,1]=3 317 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [0,0,0,0,0,0|1,1,1]=3 318 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [0,0,0,0,0,0|1,1,1]=3 319 B12R0.47 CCCCCC(C)OCCCSC 34a_100000690336_200011218191 [0,0,0,0,0,0|1,0,1]=2 320 B12R0.47 CCCCCC(C)OCCCSC 7a_100000690336_200011218191 [0,0,0,0,0,0|1,0,1]=2 321 B12R0.47 CCCCCC(C)OCCOCC 34a_100000210136_200011218191 [0,0,0,0,0,0|3,0,1]=4 322 B12R0.47 CCCCCC(C)OCCOCC 34a_100011215632_100000210147 [0,0,0,0,0,0|3,0,1]=4 323 B12R0.47 CCCCCC(C)OCCOCC 7a_100000210136_200011218191 [0,0,0,0,0,0|3,0,1]=4 324 B12R0.47 CCCCCC(C)OCCOCC 7a_100011215632_100011215890 [0,0,0,0,0,0|3,0,1]=4 325 B12R0.47 CCCCCC(C)OCCSCC 34a_100000212035_200011218191 [0,0,0,0,0,0|3,0,1]=4 326 B12R0.47 CCCCCC(C)OCCSCC 34a_100011215632_100000757381 [0,0,0,0,0,0|3,0,1]=4 327 B12R0.47 CCCCCC(C)OCCSCC 7a_100000212035_200011218191 [0,0,0,0,0,0|3,0,1]=4 328 B12R0.47 CCCCCC(C)OCCSCC 7a_100011215632_100000757381 [0,0,0,0,0,0|3,0,1]=4 329 B12R0.47 CCCCCC(C)SCCCOC 62a_100000709357_200011218191 [0,0,0,0,0,0|1,2,1]=4 330 B12R0.47 CCCCCC(C)SCCCOC 62a_200011218191_100000709357 [0,0,0,0,0,0|1,2,1]=4 331 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,0,0,0,0,0|3,0,1]=4 332 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,0,0,0,0,0|3,0,1]=4 333 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,0,0,0,0,0|2,0,0]=2 334 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,0,0,0,0,0|2,0,0]=2 335 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,0,0,0,0,0|3,0,0]=3 336 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,0,0,0,0,0|3,0,0]=3 337 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,0,0,0,0,0|3,0,0]=3 338 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,0,0,0,0,0|3,0,0]=3 339 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,0,0,0,0,0|3,0,0]=3 340 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,0,0,0,0,0|3,0,0]=3 341 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,0,0,0,0,0|3,0,0]=3 342 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,0,0,0,0,0|3,0,0]=3 343 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,0,0,0,0,0|3,0,0]=3 344 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,0,0,0,0,0|3,0,0]=3 345 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,0,0,0,0,0|3,0,0]=3 346 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,0,0,0,0,0|4,0,0]=4 347 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,0,0,0,0,0|3,0,0]=3 348 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,0,0,0,0,0|3,0,0]=3 349 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,0,0,0,0,0|3,0,0]=3 350 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,0,0,0,0,0|3,0,0]=3 351 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,0,0,0,0,0|3,0,0]=3 352 B12R0.47 CCCCCCC(=O)NCCCF 11a_100015189416_100102632555 [0,0,0,0,0,0|4,0,0]=4 353 B12R0.47 CCCCCCC(=O)NCCCF 1626a_100015189416_100102632555 [0,0,0,0,0,0|4,0,0]=4 354 B12R0.47 CCCCCCC(=O)NCCCF 240690a_100015189416_100102632555 [0,0,0,0,0,0|4,0,0]=4 355 B12R0.47 CCCCCCC(=O)NCCCF 527a_100015189416_100102632555 [0,0,0,0,0,0|4,0,0]=4 356 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [0,0,0,0,0,0|4,0,0]=4 357 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [0,0,0,0,0,0|4,0,0]=4 358 B12R0.47 CCCCCCC(=O)NCCOC 1626a_100000209980_100102632555 [0,0,0,0,0,0|4,0,0]=4 359 B12R0.47 CCCCCCC(=O)NCCOC 240690a_100000209980_100102632555 [0,0,0,0,0,0|4,0,0]=4 360 B12R0.47 CCCCCCC(=O)NCCOC 527a_100000209980_100102632555 [0,0,0,0,0,0|4,0,0]=4 361 B12R0.47 CCCCCCC(=O)NCCSC 11a_100020590264_100102632555 [0,0,0,0,0,0|4,0,0]=4 362 B12R0.47 CCCCCCC(=O)NCCSC 1626a_100020590264_100102632555 [0,0,0,0,0,0|4,0,0]=4 363 B12R0.47 CCCCCCC(=O)NCCSC 240690a_100020590264_100102632555 [0,0,0,0,0,0|4,0,0]=4 364 B12R0.47 CCCCCCC(=O)NCCSC 527a_100020590264_100102632555 [0,0,0,0,0,0|4,0,0]=4 365 B12R0.47 CCCCCCC(=O)NNCCC 22a_100000740057_100102632555 [0,0,0,0,0,0|4,0,0]=4 366 B12R0.47 CCCCCCN(C)CCCCC 2230a_100000223495_100000210314 [0,0,0,0,0,0|4,0,0]=4 367 B12R0.47 CCCCCCN(C)CCCCC 2230a_106256046315_100000210326 [0,0,0,0,0,0|4,0,0]=4 368 B12R0.47 CCCCCCN(C)CCCCC 269982a_100000223495_100000210757 [0,0,0,0,0,0|4,0,0]=4 369 B12R0.47 CCCCCCN(C)CCCCC 269982a_106256046315_100000210215 [0,0,0,0,0,0|4,0,0]=4 370 B12R0.47 CCCCCN(C)CCCCOC 2230a_100000223495_100000730899 [0,0,0,0,0,0|3,1,0]=4 371 B12R0.47 CCCCCN(C)CCCCOC 269982a_100000223495_100000730899 [0,0,0,0,0,0|3,1,0]=4 372 B12R0.47 CCCCCNC(=O)CCCC#N 11a_100000209983_100000075515 [0,0,0,0,0,0|3,0,1]=4 373 B12R0.47 CCCCCNC(=O)CCCC#N 1626a_100000209983_100000075515 [0,0,0,0,0,0|3,0,1]=4 374 B12R0.47 CCCCCNC(=O)CCCC#N 240690a_100000209983_100000075515 [0,0,0,0,0,0|3,0,1]=4 375 B12R0.47 CCCCCNC(=O)CCCC#N 527a_100000209983_100000075515 [0,0,0,0,0,0|3,0,1]=4 376 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,0,0,0,0,0|2,0,0]=2 377 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,0,0,0,0,0|2,0,0]=2 378 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,0,0,0,0,0|2,0,0]=2 379 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,0,0,0,0,0|2,0,0]=2 380 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,0,0,0,0,0|3,0,0]=3 381 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [0,0,0,0,0,0|3,0,0]=3 382 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [0,0,0,0,0,0|3,0,0]=3 383 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [0,0,0,0,0,0|3,0,0]=3 384 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [0,0,0,0,0,0|3,0,0]=3 385 B12R0.47 CCCCCNC(=O)CCCSC 11a_100000209983_100000173376 [0,0,0,0,0,0|3,0,0]=3 386 B12R0.47 CCCCCNC(=O)CCCSC 1626a_100000209983_100000173376 [0,0,0,0,0,0|3,0,0]=3 387 B12R0.47 CCCCCNC(=O)CCCSC 240690a_100000209983_100000173376 [0,0,0,0,0,0|3,0,0]=3 388 B12R0.47 CCCCCNC(=O)CCCSC 527a_100000209983_100000173376 [0,0,0,0,0,0|3,0,0]=3 389 B12R0.47 CCCCCNC(=O)CCOCC 11a_100000209983_100000749530 [0,0,0,0,0,0|3,0,0]=3 390 B12R0.47 CCCCCNC(=O)CCOCC 1626a_100000209983_100000749530 [0,0,0,0,0,0|3,0,0]=3 391 B12R0.47 CCCCCNC(=O)CCOCC 240690a_100000209983_100000749530 [0,0,0,0,0,0|3,0,0]=3 392 B12R0.47 CCCCCNC(=O)CCOCC 527a_100000209983_100000749530 [0,0,0,0,0,0|3,0,0]=3 393 B12R0.47 CCCCCNC(=O)CCSCC 11a_100000209983_100000230768 [0,0,0,0,0,0|3,0,0]=3 394 B12R0.47 CCCCCNC(=O)CCSCC 1626a_100000209983_100000230768 [0,0,0,0,0,0|3,0,0]=3 395 B12R0.47 CCCCCNC(=O)CCSCC 240690a_100000209983_100000230768 [0,0,0,0,0,0|3,0,0]=3 396 B12R0.47 CCCCCNC(=O)CCSCC 527a_100000209983_100000230768 [0,0,0,0,0,0|3,0,0]=3 397 B12R0.47 CCCCCNC(=O)CNCCF 34a_100000724931_100000230301 [0,0,0,0,0,0|4,0,0]=4 398 B12R0.47 CCCCCNC(=O)CNCCO 2230a_100016997473_100000230301 [0,0,0,0,0,0|4,0,0]=4 399 B12R0.47 CCCCCNC(=O)CNCCO 34a_100016990907_100000230301 [0,0,0,0,0,0|4,0,0]=4 400 B12R0.47 CCCCCNC(=O)COCCBr 34a_100000211926_100000230301 [0,0,0,0,0,0|4,0,0]=4 401 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,0,0,0,0,0|3,0,0]=3 402 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,0,0,0,0,0|3,0,0]=3 403 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,0,0,0,0,0|3,0,0]=3 404 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,0,0,0,0,0|3,0,0]=3 405 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,0,0,0,0,0|3,0,0]=3 406 B12R0.47 CCCCCNC(=O)COCCN 34a_100000210304_100000230301 [0,0,0,0,0,0|4,0,0]=4 407 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,0,0,0,0,0|4,0,0]=4 408 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,0,0,0,0,0|4,0,0]=4 409 B12R0.47 CCCCCNC(=O)CSCCC 11a_100000209983_100000217233 [0,0,0,0,0,0|3,0,0]=3 410 B12R0.47 CCCCCNC(=O)CSCCC 1626a_100000209983_100000217233 [0,0,0,0,0,0|3,0,0]=3 411 B12R0.47 CCCCCNC(=O)CSCCC 240690a_100000209983_100000217233 [0,0,0,0,0,0|3,0,0]=3 412 B12R0.47 CCCCCNC(=O)CSCCC 527a_100000209983_100000217233 [0,0,0,0,0,0|3,0,0]=3 413 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000210303_100000230301 [0,0,0,0,0,0|3,0,0]=3 414 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000230301_100000210303 [0,0,0,0,0,0|3,0,0]=3 415 B12R0.47 CCCCCNC(=O)CSCCF 62a_100000230301_100011217306 [0,0,0,0,0,0|4,0,0]=4 416 B12R0.47 CCCCCNC(=O)CSCCF 62a_100011217306_100000230301 [0,0,0,0,0,0|4,0,0]=4 417 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000211926_100000230301 [0,0,0,0,0,0|4,0,0]=4 418 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000230301_100000211926 [0,0,0,0,0,0|4,0,0]=4 419 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000230301_100000766300 [0,0,0,0,0,0|4,0,0]=4 420 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000766300_100000230301 [0,0,0,0,0,0|4,0,0]=4 421 B12R0.47 CCCCCNC(=O)CSCSC 62a_100000230301_100011218213 [0,0,0,0,0,0|4,0,0]=4 422 B12R0.47 CCCCCNC(=O)CSCSC 62a_100011218213_100000230301 [0,0,0,0,0,0|4,0,0]=4 423 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000102301_100000209983 [0,0,0,0,0,0|3,0,0]=3 424 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000209983_100000102301 [0,0,0,0,0,0|3,0,0]=3 425 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000102301_100000209983 [0,0,0,0,0,0|3,0,0]=3 426 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000209983_100000102301 [0,0,0,0,0,0|3,0,0]=3 427 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000102301_100000209983 [0,0,0,0,0,0|3,0,0]=3 428 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000209983_100000102301 [0,0,0,0,0,0|3,0,0]=3 429 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100000209983_100015189416 [0,0,0,0,0,0|4,0,0]=4 430 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100015189416_100000209983 [0,0,0,0,0,0|4,0,0]=4 431 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100000209983_100015189416 [0,0,0,0,0,0|4,0,0]=4 432 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100015189416_100000209983 [0,0,0,0,0,0|4,0,0]=4 433 B12R0.47 CCCCCNC(=O)NCCCF 512a_100000209983_100015189416 [0,0,0,0,0,0|4,0,0]=4 434 B12R0.47 CCCCCNC(=O)NCCCF 512a_100015189416_100000209983 [0,0,0,0,0,0|4,0,0]=4 435 B12R0.47 CCCCCNC(=O)NCCCO 2708a_100000209983_100000182051 [0,0,0,0,0,0|4,0,0]=4 436 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000182051_100000209983 [0,0,0,0,0,0|4,0,0]=4 437 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000209983_100000182051 [0,0,0,0,0,0|4,0,0]=4 438 B12R0.47 CCCCCNC(=O)NCCCO 512a_100000209983_100000182051 [0,0,0,0,0,0|4,0,0]=4 439 B12R0.47 CCCCCNC(=O)NCCOC 2708a_100000209983_100000209980 [0,0,0,0,0,0|4,0,0]=4 440 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209980_100000209983 [0,0,0,0,0,0|4,0,0]=4 441 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209983_100000209980 [0,0,0,0,0,0|4,0,0]=4 442 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100000209983_100020590264 [0,0,0,0,0,0|4,0,0]=4 443 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100020590264_100000209983 [0,0,0,0,0,0|4,0,0]=4 444 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100000209983_100020590264 [0,0,0,0,0,0|4,0,0]=4 445 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100020590264_100000209983 [0,0,0,0,0,0|4,0,0]=4 446 B12R0.47 CCCCCNC(=O)NCCSC 512a_100000209983_100020590264 [0,0,0,0,0,0|4,0,0]=4 447 B12R0.47 CCCCCNC(=O)NCCSC 512a_100020590264_100000209983 [0,0,0,0,0,0|4,0,0]=4 448 B12R0.47 CCCCCNC(=O)NNCCC 273464a_100000209983_100000740057 [0,0,0,0,0,0|4,0,0]=4 449 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000209983_100000740057 [0,0,0,0,0,0|4,0,0]=4 450 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000740057_100000209983 [0,0,0,0,0,0|4,0,0]=4 451 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000209983_200011218191 [0,0,0,0,0,0|3,0,1]=4 452 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000211957_100000210326 [0,0,0,0,0,0|3,0,1]=4 453 B12R0.47 CCCCCNC(C)CCCCC 270004a_100000209983_100000211708 [0,0,0,0,0,0|3,0,1]=4 454 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,0,0,0,0,0|2,0,1]=3 455 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,0,0,0,0,0|2,0,1]=3 456 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,0,0,0,0,0|2,0,1]=3 457 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,0,0,0,0,0|2,0,1]=3 458 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [0,0,0,0,0,0|3,0,1]=4 459 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [0,0,0,0,0,0|3,0,1]=4 460 B12R0.47 CCCCCSC(C)CCCCC 62a_100000210326_200011218191 [0,0,0,0,0,0|2,1,1]=4 461 B12R0.47 CCCCCSC(C)CCCCC 62a_200011218191_100000210326 [0,0,0,0,0,0|2,1,1]=4 462 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [0,0,0,0,0,0|4,0,0]=4 463 B12R0.47 CCCCNC(=O)CNCCOC 2230a_100000209980_100000182744 [0,0,0,0,0,0|3,1,0]=4 464 B12R0.47 CCCCNC(=O)CNCCSC 2230a_100020590264_100000182744 [0,0,0,0,0,0|3,0,0]=3 465 B12R0.47 CCCCNC(=O)COCCCC 11a_100000102301_100000757543 [0,0,0,0,0,0|4,0,0]=4 466 B12R0.47 CCCCNC(=O)COCCCC 1626a_100000102301_100000757543 [0,0,0,0,0,0|4,0,0]=4 467 B12R0.47 CCCCNC(=O)COCCCC 240690a_100000102301_100000757543 [0,0,0,0,0,0|4,0,0]=4 468 B12R0.47 CCCCNC(=O)COCCCC 34a_100000210227_100000182744 [0,0,0,0,0,0|4,0,0]=4 469 B12R0.47 CCCCNC(=O)COCCCC 527a_100000102301_100000757543 [0,0,0,0,0,0|4,0,0]=4 470 B12R0.47 CCCCNC(=O)COCCCC 7a_100000210227_100000182744 [0,0,0,0,0,0|4,0,0]=4 471 B12R0.47 CCCCNC(=O)COCCOC 11a_100000102301_100000211095 [0,0,0,0,0,0|3,1,0]=4 472 B12R0.47 CCCCNC(=O)COCCOC 1626a_100000102301_100000211095 [0,0,0,0,0,0|3,1,0]=4 473 B12R0.47 CCCCNC(=O)COCCOC 240690a_100000102301_100000211095 [0,0,0,0,0,0|3,1,0]=4 474 B12R0.47 CCCCNC(=O)COCCOC 34a_100000210237_100000182744 [0,0,0,0,0,0|3,1,0]=4 475 B12R0.47 CCCCNC(=O)COCCOC 527a_100000102301_100000211095 [0,0,0,0,0,0|3,1,0]=4 476 B12R0.47 CCCCNC(=O)COCCSC 34a_100000230434_100000182744 [0,0,0,0,0,0|3,0,0]=3 477 B12R0.47 CCCCNC(=O)COCCSC 7a_100000230434_100000182744 [0,0,0,0,0,0|3,0,0]=3 478 B12R0.47 CCCCNC(=O)CSCCCC 11a_100000102301_100000191162 [0,0,0,0,0,0|4,0,0]=4 479 B12R0.47 CCCCNC(=O)CSCCCC 1626a_100000102301_100000191162 [0,0,0,0,0,0|4,0,0]=4 480 B12R0.47 CCCCNC(=O)CSCCCC 240690a_100000102301_100000191162 [0,0,0,0,0,0|4,0,0]=4 481 B12R0.47 CCCCNC(=O)CSCCCC 527a_100000102301_100000191162 [0,0,0,0,0,0|4,0,0]=4 482 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000182744_100000210210 [0,0,0,0,0,0|4,0,0]=4 483 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000210211_100000182744 [0,0,0,0,0,0|4,0,0]=4 484 B12R0.47 CCCCNC(=O)CSCCOC 62a_100000182744_100000233755 [0,0,0,0,0,0|3,1,0]=4 485 B12R0.47 CCCCNC(=O)CSCCOC 62a_100000233755_100000182744 [0,0,0,0,0,0|3,1,0]=4 486 B12R0.47 CCCCNC(=O)CSCCSC 62a_100000182744_100000751147 [0,0,0,0,0,0|3,0,0]=3 487 B12R0.47 CCCCNC(=O)CSCCSC 62a_100000212216_100000182744 [0,0,0,0,0,0|3,0,0]=3 488 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000102301_100000750430 [0,0,0,0,0,0|4,0,0]=4 489 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000750430_100000102301 [0,0,0,0,0,0|4,0,0]=4 490 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000102301_100000750430 [0,0,0,0,0,0|4,0,0]=4 491 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000750430_100000102301 [0,0,0,0,0,0|4,0,0]=4 492 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000102301_100000750430 [0,0,0,0,0,0|4,0,0]=4 493 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000750430_100000102301 [0,0,0,0,0,0|4,0,0]=4 494 B12R0.47 CCCCNC(=O)NCCCOC 2708a_100000102301_100150723488 [0,0,0,0,0,0|2,1,0]=3 495 B12R0.47 CCCCNC(=O)NCCCOC 2708a_100150723488_100000102301 [0,0,0,0,0,0|2,1,0]=3 496 B12R0.47 CCCCNC(=O)NCCCOC 273464a_100000102301_100150723488 [0,0,0,0,0,0|2,1,0]=3 497 B12R0.47 CCCCNC(=O)NCCCOC 273464a_100150723488_100000102301 [0,0,0,0,0,0|2,1,0]=3 498 B12R0.47 CCCCNC(=O)NCCCOC 512a_100000102301_100150723488 [0,0,0,0,0,0|2,1,0]=3 499 B12R0.47 CCCCNC(=O)NCCCSC 2708a_100000102301_100000749238 [0,0,0,0,0,0|2,0,0]=2 500 B12R0.47 CCCCNC(=O)NCCCSC 2708a_100000749238_100000102301 [0,0,0,0,0,0|2,0,0]=2 501 B12R0.47 CCCCNC(=O)NCCCSC 273464a_100000102301_100000749238 [0,0,0,0,0,0|2,0,0]=2 502 B12R0.47 CCCCNC(=O)NCCCSC 273464a_100000749238_100000102301 [0,0,0,0,0,0|2,0,0]=2 503 B12R0.47 CCCCNC(=O)NCCCSC 512a_100000102301_100000749238 [0,0,0,0,0,0|2,0,0]=2 504 B12R0.47 CCCCNC(=O)NCCCSC 512a_100000749238_100000102301 [0,0,0,0,0,0|2,0,0]=2 505 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100000102301_100011200944 [0,0,0,0,0,0|4,0,0]=4 506 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100011200944_100000102301 [0,0,0,0,0,0|4,0,0]=4 507 B12R0.47 CCCCNC(=O)NCCOCC 273464a_100000102301_102516460346 [0,0,0,0,0,0|4,0,0]=4 508 B12R0.47 CCCCNC(=O)NCCOCC 273464a_102516460346_100000102301 [0,0,0,0,0,0|4,0,0]=4 509 B12R0.47 CCCCNC(=O)NCCOCC 512a_100000102301_100011200944 [0,0,0,0,0,0|4,0,0]=4 510 B12R0.47 CCCCNC(=O)NCCOCC 512a_100011200944_100000102301 [0,0,0,0,0,0|4,0,0]=4 511 B12R0.47 CCCCNC(=O)NCCSCC 2708a_100000102301_100000106463 [0,0,0,0,0,0|4,0,0]=4 512 B12R0.47 CCCCNC(=O)NCCSCC 2708a_100000106463_100000102301 [0,0,0,0,0,0|4,0,0]=4 513 B12R0.47 CCCCNC(=O)NCCSCC 273464a_100000102301_100000106463 [0,0,0,0,0,0|4,0,0]=4 514 B12R0.47 CCCCNC(=O)NCCSCC 273464a_100000106463_100000102301 [0,0,0,0,0,0|4,0,0]=4 515 B12R0.47 CCCCNC(=O)NCCSCC 512a_100000102301_100000106463 [0,0,0,0,0,0|4,0,0]=4 516 B12R0.47 CCCCNC(=O)NCCSCC 512a_100000106463_100000102301 [0,0,0,0,0,0|4,0,0]=4 517 B12R0.47 CCCCNC(=O)NNCCOC 273464a_100000102301_100000741390 [0,0,0,0,0,0|3,1,0]=4 518 B12R0.47 CCCCNCC(=O)NCCCC 2230a_100000102301_100000182744 [0,0,0,0,0,0|4,0,0]=4 519 B12R0.47 CCCCNCC(=O)NCCCC 7a_106832991798_100000182744 [0,0,0,0,0,0|4,0,0]=4 520 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,0,0,0,0,0|4,0,0]=4 521 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,0,0,0,0,0|4,0,0]=4 522 B12R0.47 CCCCNNC(=O)CCCOC 22a_100025702795_100000741012 [0,0,0,0,0,0|4,0,0]=4 523 B12R0.47 CCCCNNC(=O)CCCSC 22a_100025702795_100000173376 [0,0,0,0,0,0|4,0,0]=4 524 B12R0.47 CCCCNNC(=O)CCOCC 22a_100025702795_100000749530 [0,0,0,0,0,0|4,0,0]=4 525 B12R0.47 CCCCNNC(=O)CCSCC 22a_100025702795_100000230768 [0,0,0,0,0,0|4,0,0]=4 526 B12R0.47 CCCCNNC(=O)COCCC 22a_100025702795_100000745993 [0,0,0,0,0,0|4,0,0]=4 527 B12R0.47 CCCCNNC(=O)CSCCC 22a_100025702795_100000217233 [0,0,0,0,0,0|4,0,0]=4 528 B12R0.47 CCCCNNC(=O)NCCCC 273464a_100000102301_100025702795 [0,0,0,0,0,0|4,0,0]=4 529 B12R0.47 CCCCNNC(=O)NCCCC 512a_100000102301_100025702795 [0,0,0,0,0,0|4,0,0]=4 530 B12R0.47 CCCCNNC(=O)NCCCC 512a_100025702795_100000102301 [0,0,0,0,0,0|4,0,0]=4 531 B12R0.47 CCCCOC(=O)CNCCOC 2230a_100000209980_100000211628 [0,0,0,0,0,0|3,1,0]=4 532 B12R0.47 CCCCOC(=O)CNCCSC 2230a_100020590264_100000211628 [0,0,0,0,0,0|3,0,0]=3 533 B12R0.47 CCCCOC(=O)COCCOC 34a_100000210237_100000211628 [0,0,0,0,0,0|3,1,0]=4 534 B12R0.47 CCCCOC(=O)COCCSC 34a_100000230434_100000211628 [0,0,0,0,0,0|3,0,0]=3 535 B12R0.47 CCCCOC(=O)COCCSC 7a_100000230434_100000211628 [0,0,0,0,0,0|3,0,0]=3 536 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [0,0,0,0,0,0|4,0,0]=4 537 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [0,0,0,0,0,0|4,0,0]=4 538 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000211628_100000233755 [0,0,0,0,0,0|3,1,0]=4 539 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000233755_100000211628 [0,0,0,0,0,0|3,1,0]=4 540 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000211628_100000751147 [0,0,0,0,0,0|3,0,0]=3 541 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000212216_100000211628 [0,0,0,0,0,0|3,0,0]=3 542 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [0,0,0,0,0,0|4,0,0]=4 543 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [0,0,0,0,0,0|4,0,0]=4 544 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [0,0,0,0,0,0|4,0,0]=4 545 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [0,0,0,0,0,0|4,0,0]=4 546 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [0,0,0,0,0,0|4,0,0]=4 547 B12R0.47 CCCCOCC(=O)CCCSC 1458a_100000173376_100011995733 [0,0,0,0,0,0|4,0,0]=4 548 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000749530_100011995733 [0,0,0,0,0,0|4,0,0]=4 549 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000757543_100011215890 [0,0,0,0,0,0|4,0,0]=4 550 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000230768_100011995733 [0,0,0,0,0,0|4,0,0]=4 551 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000757543_100000757381 [0,0,0,0,0,0|4,0,0]=4 552 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [0,0,0,0,0,0|4,0,0]=4 553 B12R0.47 CCCCOCC(=O)CSCCC 1458a_100000217233_100011995733 [0,0,0,0,0,0|4,0,0]=4 554 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,0,0,0,0,0|4,0,0]=4 555 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,0,0,0,0,0|4,0,0]=4 556 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [0,0,0,0,0,0|4,0,0]=4 557 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [0,0,0,0,0,0|4,0,0]=4 558 B12R0.47 CCCCSCC(=O)CCCOC 1458a_100000191162_100000740836 [0,0,0,0,0,0|4,0,0]=4 559 B12R0.47 CCCCSCC(=O)CCOCC 1458a_100000191162_100011215890 [0,0,0,0,0,0|4,0,0]=4 560 B12R0.47 CCCCSCC(=O)CCSCC 1458a_100000191162_100000757381 [0,0,0,0,0,0|4,0,0]=4 561 B12R0.47 CCCNNC(=O)NCCCOC 273464a_100150723488_100000740057 [0,0,0,0,0,0|3,1,0]=4 562 B12R0.47 CCCNNC(=O)NCCCOC 512a_100000740057_100150723488 [0,0,0,0,0,0|3,1,0]=4 563 B12R0.47 CCCNNC(=O)NCCCSC 273464a_100000749238_100000740057 [0,0,0,0,0,0|3,0,0]=3 564 B12R0.47 CCCNNC(=O)NCCCSC 512a_100000740057_100000749238 [0,0,0,0,0,0|3,0,0]=3 565 B12R0.47 CCCNNC(=O)NCCCSC 512a_100000749238_100000740057 [0,0,0,0,0,0|3,0,0]=3 566 B12R0.47 CCCOCC(=O)CCCCC#N 1458a_100000745993_100000211819 [0,0,0,0,0,0|4,0,0]=4 567 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,0,0,0,0,0|4,0,0]=4 568 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,0,0,0,0,0|4,0,0]=4 569 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,0,0,0,0,0|2,1,0]=3 570 B12R0.47 CCCOCC(=O)CCCOCC 1458a_100000745993_100012232248 [0,0,0,0,0,0|4,0,0]=4 571 B12R0.47 CCCOCC(=O)NCCCCO 240690a_100000750430_100000745993 [0,0,0,0,0,0|4,0,0]=4 572 B12R0.47 CCCOCC(=O)NCCCCO 527a_100000750430_100000745993 [0,0,0,0,0,0|4,0,0]=4 573 B12R0.47 CCCOCC(=O)NCCCOC 1626a_100150723488_100000745993 [0,0,0,0,0,0|2,1,0]=3 574 B12R0.47 CCCOCC(=O)NCCCOC 240690a_100150723488_100000745993 [0,0,0,0,0,0|2,1,0]=3 575 B12R0.47 CCCOCC(=O)NCCCOC 34a_100000210258_100000183178 [0,0,0,0,0,0|2,1,0]=3 576 B12R0.47 CCCOCC(=O)NCCCOC 527a_100150723488_100000745993 [0,0,0,0,0,0|2,1,0]=3 577 B12R0.47 CCCOCC(=O)NCCCSC 11a_100000749238_100000745993 [0,0,0,0,0,0|2,0,0]=2 578 B12R0.47 CCCOCC(=O)NCCCSC 1626a_100000749238_100000745993 [0,0,0,0,0,0|2,0,0]=2 579 B12R0.47 CCCOCC(=O)NCCCSC 240690a_100000749238_100000745993 [0,0,0,0,0,0|2,0,0]=2 580 B12R0.47 CCCOCC(=O)NCCCSC 527a_100000749238_100000745993 [0,0,0,0,0,0|2,0,0]=2 581 B12R0.47 CCCOCC(=O)NCCOCC 11a_100011200944_100000745993 [0,0,0,0,0,0|4,0,0]=4 582 B12R0.47 CCCOCC(=O)NCCOCC 1626a_102516460346_100000745993 [0,0,0,0,0,0|4,0,0]=4 583 B12R0.47 CCCOCC(=O)NCCOCC 240690a_100011200944_100000745993 [0,0,0,0,0,0|4,0,0]=4 584 B12R0.47 CCCOCC(=O)NCCOCC 527a_100011200944_100000745993 [0,0,0,0,0,0|4,0,0]=4 585 B12R0.47 CCCOCC(=O)NCCSCC 11a_100000106463_100000745993 [0,0,0,0,0,0|4,0,0]=4 586 B12R0.47 CCCOCC(=O)NCCSCC 1626a_100000106463_100000745993 [0,0,0,0,0,0|4,0,0]=4 587 B12R0.47 CCCOCC(=O)NCCSCC 240690a_100000106463_100000745993 [0,0,0,0,0,0|4,0,0]=4 588 B12R0.47 CCCOCC(=O)NCCSCC 527a_100000106463_100000745993 [0,0,0,0,0,0|4,0,0]=4 589 B12R0.47 CCCOCC(=O)NNCCOC 22a_100000741390_100000745993 [0,0,0,0,0,0|3,1,0]=4 590 B12R0.47 CCCOCC(=O)OCCOCC 34a_100000210258_200000101388 [0,0,0,0,0,0|3,0,0]=3 591 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [0,0,0,0,0,0|4,0,0]=4 592 B12R0.47 CCCOCCC(=O)CCCOC 1458a_100000741012_100011215938 [0,0,0,0,0,0|4,0,0]=4 593 B12R0.47 CCCOCCC(=O)CCCSC 1458a_100000173376_100011215938 [0,0,0,0,0,0|4,0,0]=4 594 B12R0.47 CCCOCCC(=O)CCOCC 1458a_100000749530_100011215938 [0,0,0,0,0,0|4,0,0]=4 595 B12R0.47 CCCOCCC(=O)CCSCC 1458a_100000230768_100011215938 [0,0,0,0,0,0|4,0,0]=4 596 B12R0.47 CCCOCCC(=O)COCCC 1458a_100000745993_100011215938 [0,0,0,0,0,0|4,0,0]=4 597 B12R0.47 CCCOCCC(=O)CSCCC 1458a_100000217233_100011215938 [0,0,0,0,0,0|4,0,0]=4 598 B12R0.47 CCCSCC(=O)CCCCC#N 1458a_100000217233_100000211819 [0,0,0,0,0,0|4,0,0]=4 599 B12R0.47 CCCSCC(=O)CCCCCF 1458a_100000217233_100000729378 [0,0,0,0,0,0|4,0,0]=4 600 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [0,0,0,0,0,0|4,0,0]=4 601 B12R0.47 CCCSCC(=O)CCCCOC 1458a_100000217233_100000755781 [0,0,0,0,0,0|2,1,0]=3 602 B12R0.47 CCCSCC(=O)CCCOCC 1458a_100000217233_100012232248 [0,0,0,0,0,0|4,0,0]=4 603 B12R0.47 CCCSCC(=O)NCCCCO 240690a_100000750430_100000217233 [0,0,0,0,0,0|4,0,0]=4 604 B12R0.47 CCCSCC(=O)NCCCCO 527a_100000750430_100000217233 [0,0,0,0,0,0|4,0,0]=4 605 B12R0.47 CCCSCC(=O)NCCCOC 1626a_100150723488_100000217233 [0,0,0,0,0,0|2,1,0]=3 606 B12R0.47 CCCSCC(=O)NCCCOC 240690a_100150723488_100000217233 [0,0,0,0,0,0|2,1,0]=3 607 B12R0.47 CCCSCC(=O)NCCCOC 527a_100150723488_100000217233 [0,0,0,0,0,0|2,1,0]=3 608 B12R0.47 CCCSCC(=O)NCCCOC 62a_100000183178_100000210303 [0,0,0,0,0,0|2,1,0]=3 609 B12R0.47 CCCSCC(=O)NCCCSC 11a_100000749238_100000217233 [0,0,0,0,0,0|2,0,0]=2 610 B12R0.47 CCCSCC(=O)NCCCSC 1626a_100000749238_100000217233 [0,0,0,0,0,0|2,0,0]=2 611 B12R0.47 CCCSCC(=O)NCCCSC 240690a_100000749238_100000217233 [0,0,0,0,0,0|2,0,0]=2 612 B12R0.47 CCCSCC(=O)NCCCSC 527a_100000749238_100000217233 [0,0,0,0,0,0|2,0,0]=2 613 B12R0.47 CCCSCC(=O)NCCOCC 11a_100011200944_100000217233 [0,0,0,0,0,0|4,0,0]=4 614 B12R0.47 CCCSCC(=O)NCCOCC 1626a_102516460346_100000217233 [0,0,0,0,0,0|4,0,0]=4 615 B12R0.47 CCCSCC(=O)NCCOCC 240690a_100011200944_100000217233 [0,0,0,0,0,0|4,0,0]=4 616 B12R0.47 CCCSCC(=O)NCCOCC 527a_100011200944_100000217233 [0,0,0,0,0,0|4,0,0]=4 617 B12R0.47 CCCSCC(=O)NCCSCC 11a_100000106463_100000217233 [0,0,0,0,0,0|4,0,0]=4 618 B12R0.47 CCCSCC(=O)NCCSCC 1626a_100000106463_100000217233 [0,0,0,0,0,0|4,0,0]=4 619 B12R0.47 CCCSCC(=O)NCCSCC 240690a_100000106463_100000217233 [0,0,0,0,0,0|4,0,0]=4 620 B12R0.47 CCCSCC(=O)NCCSCC 527a_100000106463_100000217233 [0,0,0,0,0,0|4,0,0]=4 621 B12R0.47 CCCSCC(=O)NNCCOC 22a_100000741390_100000217233 [0,0,0,0,0,0|3,1,0]=4 622 B12R0.47 CCCSCC(=O)OCCOCC 62a_100000210303_200000101388 [0,0,0,0,0,0|3,0,0]=3 623 B12R0.47 CCCSCC(=O)OCCOCC 62a_200000101388_100000210303 [0,0,0,0,0,0|3,0,0]=3 624 B12R0.47 CCCSCC(C)NCCCSC 270004a_100000749238_100011343953 [0,0,0,0,0,0|3,0,1]=4 625 B12R0.47 CCOC=CC(=O)NCCCSC 11a_100000749238_100016266692 [0,0,0,0,0,0|2,0,2]=4 626 B12R0.47 CCOC=CC(=O)NCCCSC 1626a_100000749238_100016266692 [0,0,0,0,0,0|2,0,2]=4 627 B12R0.47 CCOC=CC(=O)NCCCSC 240690a_100000749238_100016266692 [0,0,0,0,0,0|2,0,2]=4 628 B12R0.47 CCOCCC(=O)CCCCC#N 1458a_100000749530_100000211819 [0,0,0,0,0,0|4,0,0]=4 629 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [0,0,0,0,0,0|4,0,0]=4 630 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [0,0,0,0,0,0|4,0,0]=4 631 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [0,0,0,0,0,0|4,0,0]=4 632 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [0,0,0,0,0,0|2,1,0]=3 633 B12R0.47 CCOCCC(=O)COCCOC 1458a_100000211095_100011215890 [0,0,0,0,0,0|3,1,0]=4 634 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [0,0,0,0,0,0|4,0,0]=4 635 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [0,0,0,0,0,0|4,0,0]=4 636 B12R0.47 CCOCCC(=O)NCCCOC 1626a_100150723488_100000749530 [0,0,0,0,0,0|2,1,0]=3 637 B12R0.47 CCOCCC(=O)NCCCOC 240690a_100150723488_100000749530 [0,0,0,0,0,0|2,1,0]=3 638 B12R0.47 CCOCCC(=O)NCCCOC 527a_100150723488_100000749530 [0,0,0,0,0,0|2,1,0]=3 639 B12R0.47 CCOCCC(=O)NCCCSC 11a_100000749238_100000749530 [0,0,0,0,0,0|2,0,0]=2 640 B12R0.47 CCOCCC(=O)NCCCSC 1626a_100000749238_100000749530 [0,0,0,0,0,0|2,0,0]=2 641 B12R0.47 CCOCCC(=O)NCCCSC 240690a_100000749238_100000749530 [0,0,0,0,0,0|2,0,0]=2 642 B12R0.47 CCOCCC(=O)NCCCSC 527a_100000749238_100000749530 [0,0,0,0,0,0|2,0,0]=2 643 B12R0.47 CCOCCC(=O)NCCSCC 11a_100000106463_100000749530 [0,0,0,0,0,0|4,0,0]=4 644 B12R0.47 CCOCCC(=O)NCCSCC 1626a_100000106463_100000749530 [0,0,0,0,0,0|4,0,0]=4 645 B12R0.47 CCOCCC(=O)NCCSCC 240690a_100000106463_100000749530 [0,0,0,0,0,0|4,0,0]=4 646 B12R0.47 CCOCCC(=O)NCCSCC 527a_100000106463_100000749530 [0,0,0,0,0,0|4,0,0]=4 647 B12R0.47 CCOCCC(=O)NNCCOC 22a_100000741390_100000749530 [0,0,0,0,0,0|3,1,0]=4 648 B12R0.47 CCOCCC(C)NCCCSC 270004a_100000749238_200011216536 [0,0,0,0,0,0|3,0,1]=4 649 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [0,0,0,0,0,0|4,0,0]=4 650 B12R0.47 CCOCCCC(=O)CCCOC 1458a_100000741012_100012232248 [0,0,0,0,0,0|4,0,0]=4 651 B12R0.47 CCOCCCC(=O)CCCSC 1458a_100000173376_100012232248 [0,0,0,0,0,0|4,0,0]=4 652 B12R0.47 CCOCCCC(=O)CCOCC 1458a_100000749530_100012232248 [0,0,0,0,0,0|4,0,0]=4 653 B12R0.47 CCOCCCC(=O)CCSCC 1458a_100000230768_100012232248 [0,0,0,0,0,0|4,0,0]=4 654 B12R0.47 CCOCCNC(=O)CCCCO 1626a_102516460346_100000695505 [0,0,0,0,0,0|4,0,0]=4 655 B12R0.47 CCOCCNC(=O)CCCOC 11a_100011200944_100000741012 [0,0,0,0,0,0|4,0,0]=4 656 B12R0.47 CCOCCNC(=O)CCCOC 1626a_102516460346_100000741012 [0,0,0,0,0,0|4,0,0]=4 657 B12R0.47 CCOCCNC(=O)CCCOC 240690a_100011200944_100000741012 [0,0,0,0,0,0|4,0,0]=4 658 B12R0.47 CCOCCNC(=O)CCCOC 527a_100011200944_100000741012 [0,0,0,0,0,0|4,0,0]=4 659 B12R0.47 CCOCCNC(=O)CCCSC 11a_100011200944_100000173376 [0,0,0,0,0,0|4,0,0]=4 660 B12R0.47 CCOCCNC(=O)CCCSC 1626a_102516460346_100000173376 [0,0,0,0,0,0|4,0,0]=4 661 B12R0.47 CCOCCNC(=O)CCCSC 240690a_100011200944_100000173376 [0,0,0,0,0,0|4,0,0]=4 662 B12R0.47 CCOCCNC(=O)CCCSC 527a_100011200944_100000173376 [0,0,0,0,0,0|4,0,0]=4 663 B12R0.47 CCOCCNC(=O)CCOCC 11a_100011200944_100000749530 [0,0,0,0,0,0|4,0,0]=4 664 B12R0.47 CCOCCNC(=O)CCOCC 1626a_102516460346_100000749530 [0,0,0,0,0,0|4,0,0]=4 665 B12R0.47 CCOCCNC(=O)CCOCC 240690a_100011200944_100000749530 [0,0,0,0,0,0|4,0,0]=4 666 B12R0.47 CCOCCNC(=O)CCOCC 527a_100011200944_100000749530 [0,0,0,0,0,0|4,0,0]=4 667 B12R0.47 CCOCCNC(=O)CCSCC 11a_100011200944_100000230768 [0,0,0,0,0,0|4,0,0]=4 668 B12R0.47 CCOCCNC(=O)CCSCC 1626a_102516460346_100000230768 [0,0,0,0,0,0|4,0,0]=4 669 B12R0.47 CCOCCNC(=O)CCSCC 240690a_100011200944_100000230768 [0,0,0,0,0,0|4,0,0]=4 670 B12R0.47 CCOCCNC(=O)CCSCC 527a_100011200944_100000230768 [0,0,0,0,0,0|4,0,0]=4 671 B12R0.47 CCOCCOC(=O)CNCCF 34a_100000724931_200000101388 [0,0,0,0,0,0|4,0,0]=4 672 B12R0.47 CCOCCOC(=O)CNCCO 2230a_100016997473_200000101388 [0,0,0,0,0,0|4,0,0]=4 673 B12R0.47 CCOCCOC(=O)CNCCO 34a_100016990907_200000101388 [0,0,0,0,0,0|4,0,0]=4 674 B12R0.47 CCOCCOC(=O)COCCBr 34a_100000211926_200000101388 [0,0,0,0,0,0|4,0,0]=4 675 B12R0.47 CCOCCOC(=O)COCCN 34a_100000210304_200000101388 [0,0,0,0,0,0|4,0,0]=4 676 B12R0.47 CCOCCOC(=O)CSCCF 62a_100011217306_200000101388 [0,0,0,0,0,0|4,0,0]=4 677 B12R0.47 CCOCCOC(=O)CSCCF 62a_200000101388_100011217306 [0,0,0,0,0,0|4,0,0]=4 678 B12R0.47 CCOCCOC(=O)CSCCO 62a_100000211926_200000101388 [0,0,0,0,0,0|4,0,0]=4 679 B12R0.47 CCOCCOC(=O)CSCCO 62a_200000101388_100000211926 [0,0,0,0,0,0|4,0,0]=4 680 B12R0.47 CCOCCOC(=O)CSCOC 62a_100000766300_200000101388 [0,0,0,0,0,0|4,0,0]=4 681 B12R0.47 CCOCCOC(=O)CSCOC 62a_200000101388_100000766300 [0,0,0,0,0,0|4,0,0]=4 682 B12R0.47 CCOCCOC(=O)CSCSC 62a_100011218213_200000101388 [0,0,0,0,0,0|4,0,0]=4 683 B12R0.47 CCOCCOC(=O)CSCSC 62a_200000101388_100011218213 [0,0,0,0,0,0|4,0,0]=4 684 B12R0.47 CCSCCC(=O)CCCCC#N 1458a_100000230768_100000211819 [0,0,0,0,0,0|4,0,0]=4 685 B12R0.47 CCSCCC(=O)CCCCCF 1458a_100000230768_100000729378 [0,0,0,0,0,0|4,0,0]=4 686 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [0,0,0,0,0,0|4,0,0]=4 687 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [0,0,0,0,0,0|4,0,0]=4 688 B12R0.47 CCSCCC(=O)CCCCOC 1458a_100000230768_100000755781 [0,0,0,0,0,0|2,1,0]=3 689 B12R0.47 CCSCCC(=O)COCCOC 1458a_100000211095_100000757381 [0,0,0,0,0,0|3,1,0]=4 690 B12R0.47 CCSCCC(=O)NCCCCO 240690a_100000750430_100000230768 [0,0,0,0,0,0|4,0,0]=4 691 B12R0.47 CCSCCC(=O)NCCCCO 527a_100000750430_100000230768 [0,0,0,0,0,0|4,0,0]=4 692 B12R0.47 CCSCCC(=O)NCCCOC 1626a_100150723488_100000230768 [0,0,0,0,0,0|2,1,0]=3 693 B12R0.47 CCSCCC(=O)NCCCOC 240690a_100150723488_100000230768 [0,0,0,0,0,0|2,1,0]=3 694 B12R0.47 CCSCCC(=O)NCCCOC 527a_100150723488_100000230768 [0,0,0,0,0,0|2,1,0]=3 695 B12R0.47 CCSCCC(=O)NCCCSC 11a_100000749238_100000230768 [0,0,0,0,0,0|2,0,0]=2 696 B12R0.47 CCSCCC(=O)NCCCSC 1626a_100000749238_100000230768 [0,0,0,0,0,0|2,0,0]=2 697 B12R0.47 CCSCCC(=O)NCCCSC 240690a_100000749238_100000230768 [0,0,0,0,0,0|2,0,0]=2 698 B12R0.47 CCSCCC(=O)NCCCSC 527a_100000749238_100000230768 [0,0,0,0,0,0|2,0,0]=2 699 B12R0.47 CCSCCC(=O)NNCCOC 22a_100000741390_100000230768 [0,0,0,0,0,0|3,1,0]=4 700 B12R0.47 CCSCCNC(=O)CCCCO 1626a_100000106463_100000695505 [0,0,0,0,0,0|4,0,0]=4 701 B12R0.47 CCSCCNC(=O)CCCOC 11a_100000106463_100000741012 [0,0,0,0,0,0|4,0,0]=4 702 B12R0.47 CCSCCNC(=O)CCCOC 1626a_100000106463_100000741012 [0,0,0,0,0,0|4,0,0]=4 703 B12R0.47 CCSCCNC(=O)CCCOC 240690a_100000106463_100000741012 [0,0,0,0,0,0|4,0,0]=4 704 B12R0.47 CCSCCNC(=O)CCCOC 527a_100000106463_100000741012 [0,0,0,0,0,0|4,0,0]=4 705 B12R0.47 CCSCCNC(=O)CCCSC 11a_100000106463_100000173376 [0,0,0,0,0,0|4,0,0]=4 706 B12R0.47 CCSCCNC(=O)CCCSC 1626a_100000106463_100000173376 [0,0,0,0,0,0|4,0,0]=4 707 B12R0.47 CCSCCNC(=O)CCCSC 240690a_100000106463_100000173376 [0,0,0,0,0,0|4,0,0]=4 708 B12R0.47 CCSCCNC(=O)CCCSC 527a_100000106463_100000173376 [0,0,0,0,0,0|4,0,0]=4 709 B12R0.47 CCSCCNC(=O)CCSCC 11a_100000106463_100000230768 [0,0,0,0,0,0|4,0,0]=4 710 B12R0.47 CCSCCNC(=O)CCSCC 1626a_100000106463_100000230768 [0,0,0,0,0,0|4,0,0]=4 711 B12R0.47 CCSCCNC(=O)CCSCC 240690a_100000106463_100000230768 [0,0,0,0,0,0|4,0,0]=4 712 B12R0.47 CCSCCNC(=O)CCSCC 527a_100000106463_100000230768 [0,0,0,0,0,0|4,0,0]=4 713 B12R0.47 COCC=CC(=O)NCCCSC 11a_100000749238_100016285016 [0,0,0,0,0,0|2,0,2]=4 714 B12R0.47 COCC=CC(=O)NCCCSC 1626a_100000749238_100016285016 [0,0,0,0,0,0|2,0,2]=4 715 B12R0.47 COCC=CC(=O)NCCCSC 240690a_100000749238_100016285016 [0,0,0,0,0,0|2,0,2]=4 716 B12R0.47 COCCCC(=O)CCCCC#N 1458a_100000741012_100000211819 [0,0,0,0,0,0|4,0,0]=4 717 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [0,0,0,0,0,0|4,0,0]=4 718 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,0,0,0,0,0|4,0,0]=4 719 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,0,0,0,0,0|4,0,0]=4 720 B12R0.47 COCCCC(=O)COCCOC 1458a_100000211095_100000740836 [0,0,0,0,0,0|3,1,0]=4 721 B12R0.47 COCCCC(=O)NCCCCO 240690a_100000750430_100000741012 [0,0,0,0,0,0|4,0,0]=4 722 B12R0.47 COCCCC(=O)NCCCCO 527a_100000750430_100000741012 [0,0,0,0,0,0|4,0,0]=4 723 B12R0.47 COCCCC(=O)NCCCSC 11a_100000749238_100000741012 [0,0,0,0,0,0|2,0,0]=2 724 B12R0.47 COCCCC(=O)NCCCSC 1626a_100000749238_100000741012 [0,0,0,0,0,0|2,0,0]=2 725 B12R0.47 COCCCC(=O)NCCCSC 240690a_100000749238_100000741012 [0,0,0,0,0,0|2,0,0]=2 726 B12R0.47 COCCCC(=O)NCCCSC 527a_100000749238_100000741012 [0,0,0,0,0,0|2,0,0]=2 727 B12R0.47 COCCCC(=O)NNCCOC 22a_100000741390_100000741012 [0,0,0,0,0,0|3,1,0]=4 728 B12R0.47 COCCCCC(=O)CCCC#N 1458a_100000075515_100000755781 [0,0,0,0,0,0|2,1,1]=4 729 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,0,0,0,0,0|2,1,0]=3 730 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [0,0,0,0,0,0|2,1,0]=3 731 B12R0.47 COCCCCC(=O)CCCSC 1458a_100000173376_100000755781 [0,0,0,0,0,0|2,1,0]=3 732 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,0,0,0,0,0|3,1,0]=4 733 B12R0.47 COCCCNC(=O)CCCC#N 1626a_100150723488_100000075515 [0,0,0,0,0,0|2,1,1]=4 734 B12R0.47 COCCCNC(=O)CCCC#N 240690a_100150723488_100000075515 [0,0,0,0,0,0|2,1,1]=4 735 B12R0.47 COCCCNC(=O)CCCC#N 527a_100150723488_100000075515 [0,0,0,0,0,0|2,1,1]=4 736 B12R0.47 COCCCNC(=O)CCCCO 1626a_100150723488_100000695505 [0,0,0,0,0,0|2,1,0]=3 737 B12R0.47 COCCCNC(=O)CCCOC 1626a_100150723488_100000741012 [0,0,0,0,0,0|2,1,0]=3 738 B12R0.47 COCCCNC(=O)CCCOC 240690a_100150723488_100000741012 [0,0,0,0,0,0|2,1,0]=3 739 B12R0.47 COCCCNC(=O)CCCOC 527a_100150723488_100000741012 [0,0,0,0,0,0|2,1,0]=3 740 B12R0.47 COCCCNC(=O)CCCSC 1626a_100150723488_100000173376 [0,0,0,0,0,0|2,1,0]=3 741 B12R0.47 COCCCNC(=O)CCCSC 240690a_100150723488_100000173376 [0,0,0,0,0,0|2,1,0]=3 742 B12R0.47 COCCCNC(=O)CCCSC 527a_100150723488_100000173376 [0,0,0,0,0,0|2,1,0]=3 743 B12R0.47 COCCCNC(=O)CNCCF 34a_100000724931_100000183178 [0,0,0,0,0,0|3,1,0]=4 744 B12R0.47 COCCCNC(=O)CNCCO 2230a_100016997473_100000183178 [0,0,0,0,0,0|3,1,0]=4 745 B12R0.47 COCCCNC(=O)CNCCO 34a_100016990907_100000183178 [0,0,0,0,0,0|3,1,0]=4 746 B12R0.47 COCCCNC(=O)COCCBr 34a_100000211926_100000183178 [0,0,0,0,0,0|3,1,0]=4 747 B12R0.47 COCCCNC(=O)COCCN 34a_100000210304_100000183178 [0,0,0,0,0,0|3,1,0]=4 748 B12R0.47 COCCCNC(=O)COCCO 1626a_100150723488_100000708028 [0,0,0,0,0,0|3,1,0]=4 749 B12R0.47 COCCCNC(=O)COCCO 240690a_100150723488_100000708028 [0,0,0,0,0,0|3,1,0]=4 750 B12R0.47 COCCCNC(=O)CSCCF 62a_100000183178_100011217306 [0,0,0,0,0,0|3,1,0]=4 751 B12R0.47 COCCCNC(=O)CSCCO 62a_100000183178_100000211926 [0,0,0,0,0,0|3,1,0]=4 752 B12R0.47 COCCCNC(=O)CSCOC 62a_100000183178_100000766300 [0,0,0,0,0,0|3,1,0]=4 753 B12R0.47 COCCCNC(=O)CSCSC 62a_100000183178_100011218213 [0,0,0,0,0,0|3,1,0]=4 754 B12R0.47 COCCCNC(=O)NCCCF 2708a_100015189416_100150723488 [0,0,0,0,0,0|3,1,0]=4 755 B12R0.47 COCCCNC(=O)NCCCF 2708a_100150723488_100015189416 [0,0,0,0,0,0|3,1,0]=4 756 B12R0.47 COCCCNC(=O)NCCCF 273464a_100015189416_100150723488 [0,0,0,0,0,0|3,1,0]=4 757 B12R0.47 COCCCNC(=O)NCCCF 273464a_100150723488_100015189416 [0,0,0,0,0,0|3,1,0]=4 758 B12R0.47 COCCCNC(=O)NCCCF 512a_100015189416_100150723488 [0,0,0,0,0,0|3,1,0]=4 759 B12R0.47 COCCCNC(=O)NCCCO 2708a_100150723488_100000182051 [0,0,0,0,0,0|3,1,0]=4 760 B12R0.47 COCCCNC(=O)NCCCO 273464a_100000182051_100150723488 [0,0,0,0,0,0|3,1,0]=4 761 B12R0.47 COCCCNC(=O)NCCCO 273464a_100150723488_100000182051 [0,0,0,0,0,0|3,1,0]=4 762 B12R0.47 COCCCNC(=O)NCCOC 2708a_100150723488_100000209980 [0,0,0,0,0,0|3,1,0]=4 763 B12R0.47 COCCCNC(=O)NCCOC 273464a_100000209980_100150723488 [0,0,0,0,0,0|3,1,0]=4 764 B12R0.47 COCCCNC(=O)NCCOC 273464a_100150723488_100000209980 [0,0,0,0,0,0|3,1,0]=4 765 B12R0.47 COCCCNC(=O)NCCSC 2708a_100020590264_100150723488 [0,0,0,0,0,0|3,1,0]=4 766 B12R0.47 COCCCNC(=O)NCCSC 2708a_100150723488_100020590264 [0,0,0,0,0,0|3,1,0]=4 767 B12R0.47 COCCCNC(=O)NCCSC 273464a_100020590264_100150723488 [0,0,0,0,0,0|3,1,0]=4 768 B12R0.47 COCCCNC(=O)NCCSC 273464a_100150723488_100020590264 [0,0,0,0,0,0|3,1,0]=4 769 B12R0.47 COCCCNC(=O)NCCSC 512a_100020590264_100150723488 [0,0,0,0,0,0|3,1,0]=4 770 B12R0.47 COCCCOC(C)CCCOC 34a_200011539412_100000740836 [0,0,0,0,0,0|2,1,1]=4 771 B12R0.47 COCCCOC(C)CCCOC 7a_200011539412_100000740836 [0,0,0,0,0,0|2,1,1]=4 772 B12R0.47 COCCNC(=O)CNCCSC 2230a_100000754632_100000751147 [0,0,0,0,0,0|4,0,0]=4 773 B12R0.47 COCCNC(=O)CNCCSC 2230a_100020590264_100000183275 [0,0,0,0,0,0|4,0,0]=4 774 B12R0.47 COCCNC(=O)COCCSC 34a_100000230434_100000183275 [0,0,0,0,0,0|4,0,0]=4 775 B12R0.47 COCCNC(=O)COCCSC 7a_100000230434_100000183275 [0,0,0,0,0,0|4,0,0]=4 776 B12R0.47 COCCNC(=O)CSCCSC 62a_100000183275_100000751147 [0,0,0,0,0,0|4,0,0]=4 777 B12R0.47 COCCNC(=O)CSCCSC 62a_100000212216_100000183275 [0,0,0,0,0,0|4,0,0]=4 778 B12R0.47 COCCNC(=O)NCCCSC 2708a_100000749238_100000209980 [0,0,0,0,0,0|3,0,0]=3 779 B12R0.47 COCCNC(=O)NCCCSC 273464a_100000209980_100000749238 [0,0,0,0,0,0|3,0,0]=3 780 B12R0.47 COCCNC(=O)NCCCSC 273464a_100000749238_100000209980 [0,0,0,0,0,0|3,0,0]=3 781 B12R0.47 COCCNNC(=O)CCCSC 22a_100000741390_100000173376 [0,0,0,0,0,0|3,1,0]=4 782 B12R0.47 COCCOC(=O)CNCCSC 2230a_100020590264_200000040189 [0,0,0,0,0,0|4,0,0]=4 783 B12R0.47 COCCOC(=O)COCCSC 34a_100000230434_200000040189 [0,0,0,0,0,0|4,0,0]=4 784 B12R0.47 COCCOC(=O)COCCSC 7a_100000230434_200000040189 [0,0,0,0,0,0|4,0,0]=4 785 B12R0.47 COCCOC(=O)CSCCSC 62a_100000212216_200000040189 [0,0,0,0,0,0|4,0,0]=4 786 B12R0.47 COCCOC(=O)CSCCSC 62a_200000040189_100000751147 [0,0,0,0,0,0|4,0,0]=4 787 B12R0.47 COCCOCC(=O)CCCCF 1458a_100000211095_100000729493 [0,0,0,0,0,0|3,1,0]=4 788 B12R0.47 COCCOCC(=O)CCCCO 1458a_100000211095_100000210776 [0,0,0,0,0,0|3,1,0]=4 789 B12R0.47 CSCCCC(=O)CCCCC#N 1458a_100000173376_100000211819 [0,0,0,0,0,0|4,0,0]=4 790 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [0,0,0,0,0,0|4,0,0]=4 791 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,0,0,0,0,0|4,0,0]=4 792 B12R0.47 CSCCCC(=O)NCCCCO 240690a_100000750430_100000173376 [0,0,0,0,0,0|4,0,0]=4 793 B12R0.47 CSCCCC(=O)NCCCCO 527a_100000750430_100000173376 [0,0,0,0,0,0|4,0,0]=4 794 B12R0.47 CSCCCNC(=O)CCCC#N 11a_100000749238_100000075515 [0,0,0,0,0,0|2,0,1]=3 795 B12R0.47 CSCCCNC(=O)CCCC#N 1626a_100000749238_100000075515 [0,0,0,0,0,0|2,0,1]=3 796 B12R0.47 CSCCCNC(=O)CCCC#N 240690a_100000749238_100000075515 [0,0,0,0,0,0|2,0,1]=3 797 B12R0.47 CSCCCNC(=O)CCCC#N 527a_100000749238_100000075515 [0,0,0,0,0,0|2,0,1]=3 798 B12R0.47 CSCCCNC(=O)CCCCO 1626a_100000749238_100000695505 [0,0,0,0,0,0|2,0,0]=2 799 B12R0.47 CSCCCNC(=O)CCCSC 11a_100000749238_100000173376 [0,0,0,0,0,0|2,0,0]=2 800 B12R0.47 CSCCCNC(=O)CCCSC 1626a_100000749238_100000173376 [0,0,0,0,0,0|2,0,0]=2 801 B12R0.47 CSCCCNC(=O)CCCSC 240690a_100000749238_100000173376 [0,0,0,0,0,0|2,0,0]=2 802 B12R0.47 CSCCCNC(=O)CCCSC 527a_100000749238_100000173376 [0,0,0,0,0,0|2,0,0]=2 803 B12R0.47 CSCCCNC(=O)CCN=[N+]=[N-] 11a_100000749238_100000688302 [0,0,0,0,0,0|4,0,0]=4 804 B12R0.47 CSCCCNC(=O)CCN=[N+]=[N-] 240690a_100000749238_100000688302 [0,0,0,0,0,0|4,0,0]=4 805 B12R0.47 CSCCCNC(=O)COCCO 1626a_100000749238_100000708028 [0,0,0,0,0,0|3,0,0]=3 806 B12R0.47 CSCCCNC(=O)COCCO 240690a_100000749238_100000708028 [0,0,0,0,0,0|3,0,0]=3 807 B12R0.47 CSCCCNC(=O)CSCC#N 11a_100000749238_100000150266 [0,0,0,0,0,0|3,0,1]=4 808 B12R0.47 CSCCCNC(=O)CSCC#N 1626a_100000749238_100000150266 [0,0,0,0,0,0|3,0,1]=4 809 B12R0.47 CSCCCNC(=O)CSCC#N 240690a_100000749238_100000150266 [0,0,0,0,0,0|3,0,1]=4 810 B12R0.47 CSCCCNC(=O)NCCC#N 2708a_100000720768_100000749238 [0,0,0,0,0,0|3,0,1]=4 811 B12R0.47 CSCCCNC(=O)NCCC#N 2708a_100000749238_100000720768 [0,0,0,0,0,0|3,0,1]=4 812 B12R0.47 CSCCCNC(=O)NCCC#N 273464a_100000720768_100000749238 [0,0,0,0,0,0|3,0,1]=4 813 B12R0.47 CSCCCNC(=O)NCCC#N 273464a_100000749238_100000720768 [0,0,0,0,0,0|3,0,1]=4 814 B12R0.47 CSCCCNC(=O)NCCC#N 512a_100000720768_100000749238 [0,0,0,0,0,0|3,0,1]=4 815 B12R0.47 CSCCCNC(=O)NCCC#N 512a_100000749238_100000720768 [0,0,0,0,0,0|3,0,1]=4 816 B12R0.47 CSCCCNC(=O)NCCCF 2708a_100000749238_100015189416 [0,0,0,0,0,0|3,0,0]=3 817 B12R0.47 CSCCCNC(=O)NCCCF 2708a_100015189416_100000749238 [0,0,0,0,0,0|3,0,0]=3 818 B12R0.47 CSCCCNC(=O)NCCCF 273464a_100000749238_100015189416 [0,0,0,0,0,0|3,0,0]=3 819 B12R0.47 CSCCCNC(=O)NCCCF 273464a_100015189416_100000749238 [0,0,0,0,0,0|3,0,0]=3 820 B12R0.47 CSCCCNC(=O)NCCCF 512a_100000749238_100015189416 [0,0,0,0,0,0|3,0,0]=3 821 B12R0.47 CSCCCNC(=O)NCCCF 512a_100015189416_100000749238 [0,0,0,0,0,0|3,0,0]=3 822 B12R0.47 CSCCCNC(=O)NCCCO 2708a_100000749238_100000182051 [0,0,0,0,0,0|3,0,0]=3 823 B12R0.47 CSCCCNC(=O)NCCCO 273464a_100000182051_100000749238 [0,0,0,0,0,0|3,0,0]=3 824 B12R0.47 CSCCCNC(=O)NCCCO 273464a_100000749238_100000182051 [0,0,0,0,0,0|3,0,0]=3 825 B12R0.47 CSCCCNC(=O)NCCCO 512a_100000749238_100000182051 [0,0,0,0,0,0|3,0,0]=3 826 B12R0.47 CSCCCNC(=O)NCCSC 2708a_100000749238_100020590264 [0,0,0,0,0,0|3,0,0]=3 827 B12R0.47 CSCCCNC(=O)NCCSC 2708a_100020590264_100000749238 [0,0,0,0,0,0|3,0,0]=3 828 B12R0.47 CSCCCNC(=O)NCCSC 273464a_100000749238_100020590264 [0,0,0,0,0,0|3,0,0]=3 829 B12R0.47 CSCCCNC(=O)NCCSC 273464a_100020590264_100000749238 [0,0,0,0,0,0|3,0,0]=3 830 B12R0.47 CSCCCNC(=O)NCCSC 512a_100000749238_100020590264 [0,0,0,0,0,0|3,0,0]=3 831 B12R0.47 CSCCCNC(=O)NCCSC 512a_100020590264_100000749238 [0,0,0,0,0,0|3,0,0]=3 832 B12R0.47 CSCCCNC(=O)NNCCO 273464a_100000749238_100000210001 [0,0,0,0,0,0|4,0,0]=4 833 B12R0.47 CSCCCNC(=O)NNCCO 512a_100000749238_100000210001 [0,0,0,0,0,0|4,0,0]=4 834 B12R0.47 CSCCCNC(C)CCCSC 270004a_100000749238_100011399439 [0,0,0,0,0,0|3,0,1]=4 835 B12R0.47 N#CCCCCC(=O)CCCCO 1458a_100000695505_100000211819 [0,0,0,0,0,0|4,0,0]=4 836 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,0,0,0,0,0|4,0,0]=4 837 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,0,0,0,0,0|4,0,0]=4 838 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,0,0,0,0,0|4,0,0]=4 839 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,0,0,0,0,0|4,0,0]=4 840 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [1,0,0,0,0,0|0,0,3]=4 841 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [1,0,0,0,0,0|0,0,3]=4 842 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [1,0,0,0,0,0|1,0,2]=4 843 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [1,0,0,0,0,0|1,0,2]=4 844 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [1,0,0,0,0,0|1,0,2]=4 845 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [1,0,0,0,0,0|1,0,2]=4 846 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,0,0,0,0,0|1,0,2]=4 847 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [1,0,0,0,0,0|0,0,3]=4 848 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [1,0,0,0,0,0|0,0,3]=4 849 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,0,0,0,0,0|1,0,2]=4 850 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,0,0,0,0,0|1,0,2]=4 851 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,0,0,0,0,0|1,0,2]=4 852 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,0,0,0,0,0|1,0,2]=4 853 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [1,0,0,0,0,0|1,0,2]=4 854 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [1,0,0,0,0,0|0,0,3]=4 855 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [1,0,0,0,0,0|0,0,3]=4 856 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [1,0,0,0,0,0|1,1,1]=4 857 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [1,0,0,0,0,0|1,1,1]=4 858 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [1,0,0,0,0,0|1,1,1]=4 859 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [1,0,0,0,0,0|1,1,1]=4 860 B11R0.3 CCCC/C=C/COCCSC 34a_200016272032_100000212216 [1,0,0,0,0,0|2,0,1]=4 861 B11R0.3 CCCC/C=C/COCCSC 7a_200016272032_100000212216 [1,0,0,0,0,0|2,0,1]=4 862 B11R0.3 CCCC/C=C\CCOCSC 34a_200016286491_100011218213 [1,0,0,0,0,0|2,0,1]=4 863 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [1,0,0,0,0,0|3,0,0]=4 864 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [1,0,0,0,0,0|3,0,0]=4 865 B11R0.3 CCCCC/C=C/COCSC 34a_100016258190_100011218213 [1,0,0,0,0,0|2,0,0]=3 866 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [1,0,0,0,0,0|1,1,0]=3 867 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [1,0,0,0,0,0|1,1,0]=3 868 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [1,0,0,0,0,0|1,1,0]=3 869 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [1,0,0,0,0,0|1,1,0]=3 870 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [1,0,0,0,0,0|3,0,0]=4 871 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [1,0,0,0,0,0|3,0,0]=4 872 B11R0.3 CCCCCC#CCOCSC 34a_200000033628_100011218213 [1,0,0,0,0,0|2,0,1]=4 873 B11R0.3 CCCCCC#CCSCSC 62a_100009816472_100011218213 [1,0,0,0,0,0|2,0,1]=4 874 B11R0.3 CCCCCC#CCSCSC 62a_100011218213_100009816472 [1,0,0,0,0,0|2,0,1]=4 875 B11R0.3 CCCCCC=NNCCCC 4a_100025702795_100000737632 [1,0,0,0,0,0|3,0,0]=4 876 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,0,0,0,0,0|2,0,1]=4 877 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,0,0,0,0,0|2,0,1]=4 878 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,0,0,0,0,0|2,0,1]=4 879 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,0,0,0,0,0|2,0,1]=4 880 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,0,0,0,0,0|2,0,1]=4 881 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,0,0,0,0,0|2,0,1]=4 882 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,0,0,0,0,0|2,0,1]=4 883 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,0,0,0,0,0|1,1,1]=4 884 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,0,0,0,0,0|1,1,1]=4 885 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,0,0,0,0,0|1,1,1]=4 886 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,0,0,0,0,0|1,1,1]=4 887 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,0,0,0,0,0|1,1,1]=4 888 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,0,0,0,0,0|1,0,1]=3 889 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,0,0,0,0,0|1,0,1]=3 890 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,0,0,0,0,0|2,0,1]=4 891 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,0,0,0,0,0|2,0,1]=4 892 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,0,0,0,0,0|2,0,1]=4 893 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,0,0,0,0,0|2,0,1]=4 894 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,0,0,0,0,0|2,0,1]=4 895 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,0,0,0,0,0|2,0,1]=4 896 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,0,0,0,0,0|2,0,1]=4 897 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,0,0,0,0,0|2,0,1]=4 898 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,0,0,0,0,0|2,0,1]=4 899 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,0,0,0,0,0|2,0,1]=4 900 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,0,0,0,0,0|2,0,1]=4 901 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,0,0,0,0,0|2,0,1]=4 902 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,0,0,0,0,0|2,0,1]=4 903 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,0,0,0,0,0|2,0,1]=4 904 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,0,0,0,0,0|2,0,1]=4 905 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,0,0,0,0,0|1,1,1]=4 906 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,0,0,0,0,0|1,1,1]=4 907 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,0,0,0,0,0|1,0,1]=3 908 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [1,0,0,0,0,0|2,0,1]=4 909 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,0,0,0,0,0|2,0,1]=4 910 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [1,0,0,0,0,0|2,0,1]=4 911 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,0,0,0,0,0|1,0,1]=3 912 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,0,0,0,0,0|1,0,1]=3 913 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,0,0,0,0,0|1,0,1]=3 914 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,0,0,0,0,0|1,0,1]=3 915 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [1,0,0,0,0,0|2,0,1]=4 916 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [1,0,0,0,0,0|2,0,1]=4 917 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [1,0,0,0,0,0|2,0,1]=4 918 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [1,0,0,0,0,0|2,0,1]=4 919 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [1,0,0,0,0,0|2,0,1]=4 920 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [1,0,0,0,0,0|2,0,1]=4 921 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [1,0,0,0,0,0|2,0,1]=4 922 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [1,0,0,0,0,0|2,0,1]=4 923 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [1,0,0,0,0,0|2,0,1]=4 924 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [1,0,0,0,0,0|2,0,1]=4 925 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,0,0,0,0,0|1,0,1]=3 926 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,0,0,0,0,0|0,1,1]=3 927 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,0,0,0,0,0|0,1,1]=3 928 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,0,0,0,0,0|0,1,1]=3 929 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,0,0,0,0,0|0,0,1]=2 930 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,0,0,0,0,0|0,0,1]=2 931 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,0,0,0,0,0|2,0,1]=4 932 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,0,0,0,0,0|2,0,1]=4 933 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,0,0,0,0,0|2,0,1]=4 934 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,0,0,0,0,0|2,0,1]=4 935 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,0,0,0,0,0|2,0,1]=4 936 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,0,0,0,0,0|2,0,1]=4 937 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [1,0,0,0,0,0|2,0,1]=4 938 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [1,0,0,0,0,0|2,0,1]=4 939 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [1,0,0,0,0,0|2,0,1]=4 940 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [1,0,0,0,0,0|2,0,1]=4 941 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,0,0,0,0,0|1,1,1]=4 942 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,0,0,0,0,0|1,1,1]=4 943 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,0,0,0,0,0|0,2,1]=4 944 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,0,0,0,0,0|0,2,1]=4 945 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,0,0,0,0,0|2,1,0]=4 946 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [1,0,0,0,0,0|3,0,0]=4 947 B11R0.3 CCCCCNN=CCCSC 4a_100000694160_100000210997 [1,0,0,0,0,0|2,0,1]=4 948 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [1,0,0,0,0,0|2,0,1]=4 949 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [1,0,0,0,0,0|2,0,1]=4 950 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [1,0,0,0,0,0|2,0,1]=4 951 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [1,0,0,0,0,0|2,0,1]=4 952 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [1,0,0,0,0,0|2,0,1]=4 953 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [1,0,0,0,0,0|2,0,1]=4 954 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [1,0,0,0,0,0|2,0,1]=4 955 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [1,0,0,0,0,0|2,0,1]=4 956 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [1,0,0,0,0,0|2,0,1]=4 957 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [1,0,0,0,0,0|2,0,1]=4 958 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [1,0,0,0,0,0|2,0,1]=4 959 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,0,0,0,0,0|2,0,1]=4 960 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,0,0,0,0,0|2,0,1]=4 961 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,0,0,0,0,0|2,0,1]=4 962 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,0,0,0,0,0|2,0,0]=3 963 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,0,0,0,0,0|2,0,0]=3 964 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,0,0,0,0,0|2,0,1]=4 965 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,0,0,0,0,0|2,0,1]=4 966 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,0,0,0,0,0|2,0,1]=4 967 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,0,0,0,0,0|2,0,1]=4 968 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,0,0,0,0,0|2,0,1]=4 969 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,0,0,0,0,0|2,0,1]=4 970 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,0,0,0,0,0|2,0,1]=4 971 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,0,0,0,0,0|2,0,1]=4 972 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,0,0,0,0,0|2,0,1]=4 973 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,0,0,0,0,0|2,0,1]=4 974 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,0,0,0,0,0|2,0,1]=4 975 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,0,0,0,0,0|2,0,1]=4 976 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [1,0,0,0,0,0|3,0,0]=4 977 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [1,0,0,0,0,0|2,0,1]=4 978 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [1,0,0,0,0,0|2,0,1]=4 979 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [1,0,0,0,0,0|2,0,1]=4 980 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,0,0,0,0,0|2,1,0]=4 981 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,0,0,0,0,0|2,1,0]=4 982 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [1,0,0,0,0,0|2,0,1]=4 983 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [1,0,0,0,0,0|2,0,1]=4 984 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [1,0,0,0,0,0|1,1,1]=4 985 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [1,0,0,0,0,0|1,0,1]=3 986 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [1,0,0,0,0,0|2,0,1]=4 987 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [1,0,0,0,0,0|2,0,1]=4 988 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [1,0,0,0,0,0|1,1,1]=4 989 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [1,0,0,0,0,0|1,1,1]=4 990 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [1,0,0,0,0,0|1,1,1]=4 991 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [1,0,0,0,0,0|1,0,1]=3 992 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [1,0,0,0,0,0|1,0,1]=3 993 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [1,0,0,0,0,0|1,1,1]=4 994 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [1,0,0,0,0,0|1,1,1]=4 995 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [1,0,0,0,0,0|2,0,1]=4 996 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [1,0,0,0,0,0|2,0,1]=4 997 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [1,0,0,0,0,0|1,1,1]=4 998 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [1,0,0,0,0,0|1,1,1]=4 999 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [1,0,0,0,0,0|1,1,1]=4 1000 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [1,0,0,0,0,0|1,1,1]=4 1001 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [1,0,0,0,0,0|1,1,1]=4 1002 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [1,0,0,0,0,0|1,0,1]=3 1003 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [1,0,0,0,0,0|1,0,1]=3 1004 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [1,0,0,0,0,0|3,0,0]=4 1005 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [1,0,0,0,0,0|3,0,0]=4 1006 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [1,0,0,0,0,0|1,1,1]=4 1007 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [1,0,0,0,0,0|1,1,1]=4 1008 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [1,0,0,0,0,0|3,0,0]=4 1009 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [1,0,0,0,0,0|3,0,0]=4 1010 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [1,0,0,0,0,0|2,0,1]=4 1011 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [1,0,0,0,0,0|2,0,1]=4 1012 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [1,0,0,0,0,0|2,0,1]=4 1013 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [1,0,0,0,0,0|2,0,1]=4 1014 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [1,0,0,0,0,0|1,1,1]=4 1015 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [1,0,0,0,0,0|1,1,1]=4 1016 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [1,0,0,0,0,0|1,0,1]=3 1017 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [1,0,0,0,0,0|1,0,1]=3 1018 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [1,0,0,0,0,0|1,1,1]=4 1019 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [1,0,0,0,0,0|1,1,1]=4 1020 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [1,0,0,0,0,0|1,1,1]=4 1021 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [1,0,0,0,0,0|1,1,1]=4 1022 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [1,0,0,0,0,0|1,1,1]=4 1023 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [1,0,0,0,0,0|1,1,1]=4 1024 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [1,0,0,0,0,0|1,1,1]=4 1025 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [1,0,0,0,0,0|1,1,1]=4 1026 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [1,0,0,0,0,0|1,1,1]=4 1027 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [1,0,0,0,0,0|1,1,1]=4 1028 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [1,0,0,0,0,0|1,1,1]=4 1029 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,0,0,0,0,0|2,0,1]=4 1030 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,0,0,0,0,0|2,0,1]=4 1031 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [1,0,0,0,0,0|3,0,0]=4 1032 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [1,0,0,0,0,0|3,0,0]=4 1033 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [1,0,0,0,0,0|3,0,0]=4 1034 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [1,0,0,0,0,0|3,0,0]=4 1035 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [1,0,0,0,0,0|2,0,1]=4 1036 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [1,0,0,0,0,0|2,0,1]=4 1037 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [1,0,0,0,0,0|1,0,2]=4 1038 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,0,0,0,0,0|1,0,2]=4 1039 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [1,0,0,0,0,0|1,0,1]=3 1040 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [1,0,0,0,0,0|1,0,1]=3 1041 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [1,0,0,0,0,0|1,0,1]=3 1042 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [1,0,0,0,0,0|1,0,1]=3 1043 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [1,0,0,0,0,0|2,0,1]=4 1044 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [1,0,0,0,0,0|2,0,1]=4 1045 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,0,0,0,0,0|2,0,1]=4 1046 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,0,0,0,0,0|2,0,1]=4 1047 B11R0.81 C#CCCC(=O)NCCCSC 11a_100000749238_100000692101 [1,0,0,0,0,0|1,0,2]=4 1048 B11R0.81 C#CCCC(=O)NCCCSC 1626a_100000749238_100000692101 [1,0,0,0,0,0|1,0,2]=4 1049 B11R0.81 C#CCCC(=O)NCCCSC 240690a_100000749238_100000692101 [1,0,0,0,0,0|1,0,2]=4 1050 B11R0.81 C#CCCC(=O)NCCCSC 527a_100000749238_100000692101 [1,0,0,0,0,0|1,0,2]=4 1051 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [1,0,0,0,0,0|2,0,1]=4 1052 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [1,0,0,0,0,0|2,0,1]=4 1053 B11R0.81 C#CCCCNC(=O)CCCC 11a_100000718082_100000210183 [1,0,0,0,0,0|2,0,1]=4 1054 B11R0.81 C#CCCCNC(=O)CCCC 1626a_100000718082_100000210183 [1,0,0,0,0,0|2,0,1]=4 1055 B11R0.81 C#CCCCNC(=O)CCCC 240690a_100000718082_100000210183 [1,0,0,0,0,0|2,0,1]=4 1056 B11R0.81 C#CCCCNC(=O)CCCC 527a_100000718082_100000210183 [1,0,0,0,0,0|2,0,1]=4 1057 B11R0.81 C=CCCC(=O)NCCCSC 11a_100000749238_100000749702 [1,0,0,0,0,0|1,0,2]=4 1058 B11R0.81 C=CCCC(=O)NCCCSC 1626a_100000749238_100000749702 [1,0,0,0,0,0|1,0,2]=4 1059 B11R0.81 C=CCCC(=O)NCCCSC 240690a_100000749238_100000749702 [1,0,0,0,0,0|1,0,2]=4 1060 B11R0.81 C=CCCC(=O)NCCCSC 527a_100000749238_100000749702 [1,0,0,0,0,0|1,0,2]=4 1061 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [1,0,0,0,0,0|2,0,1]=4 1062 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [1,0,0,0,0,0|2,0,1]=4 1063 B11R0.81 C=CCCCNC(=O)CCCC 11a_100000700776_100000210183 [1,0,0,0,0,0|2,0,1]=4 1064 B11R0.81 C=CCCCNC(=O)CCCC 1626a_100000700776_100000210183 [1,0,0,0,0,0|2,0,1]=4 1065 B11R0.81 C=CCCCNC(=O)CCCC 240690a_100000700776_100000210183 [1,0,0,0,0,0|2,0,1]=4 1066 B11R0.81 C=CCCCNC(=O)CCCC 527a_100000700776_100000210183 [1,0,0,0,0,0|2,0,1]=4 1067 B11R0.81 CC=CCC(=O)NCCCSC 11a_100000749238_100121576822 [1,0,0,0,0,0|1,0,2]=4 1068 B11R0.81 CC=CCC(=O)NCCCSC 1626a_100000749238_100121576822 [1,0,0,0,0,0|1,0,2]=4 1069 B11R0.81 CC=CCC(=O)NCCCSC 240690a_100000749238_100121576822 [1,0,0,0,0,0|1,0,2]=4 1070 B11R0.81 CC=CCC(=O)NCCCSC 527a_100000749238_100121576822 [1,0,0,0,0,0|1,0,2]=4 1071 B11R0.81 CCC=CC(=O)NCCCSC 11a_100000749238_100000212282 [1,0,0,0,0,0|1,0,2]=4 1072 B11R0.81 CCC=CC(=O)NCCCSC 1626a_100000749238_100000212282 [1,0,0,0,0,0|1,0,2]=4 1073 B11R0.81 CCC=CC(=O)NCCCSC 240690a_100000749238_100000212282 [1,0,0,0,0,0|1,0,2]=4 1074 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [1,0,0,0,0,0|3,0,0]=4 1075 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [1,0,0,0,0,0|3,0,0]=4 1076 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,0,0,0,0,0|3,0,0]=4 1077 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,0,0,0,0,0|3,0,0]=4 1078 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [1,0,0,0,0,0|1,1,0]=3 1079 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [1,0,0,0,0,0|3,0,0]=4 1080 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [1,0,0,0,0,0|3,0,0]=4 1081 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [1,0,0,0,0,0|2,1,0]=4 1082 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [1,0,0,0,0,0|3,0,0]=4 1083 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [1,0,0,0,0,0|3,0,0]=4 1084 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [1,0,0,0,0,0|1,1,0]=3 1085 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [1,0,0,0,0,0|1,1,0]=3 1086 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [1,0,0,0,0,0|1,1,0]=3 1087 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [1,0,0,0,0,0|1,0,0]=2 1088 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [1,0,0,0,0,0|1,0,0]=2 1089 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [1,0,0,0,0,0|1,0,0]=2 1090 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [1,0,0,0,0,0|1,0,0]=2 1091 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [1,0,0,0,0,0|3,0,0]=4 1092 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [1,0,0,0,0,0|3,0,0]=4 1093 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [1,0,0,0,0,0|3,0,0]=4 1094 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [1,0,0,0,0,0|3,0,0]=4 1095 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [1,0,0,0,0,0|3,0,0]=4 1096 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [1,0,0,0,0,0|3,0,0]=4 1097 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [1,0,0,0,0,0|3,0,0]=4 1098 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [1,0,0,0,0,0|3,0,0]=4 1099 B11R0.81 CCCCC(=O)NNCCOC 22a_100000741390_100000210183 [1,0,0,0,0,0|2,1,0]=4 1100 B11R0.81 CCCCC(C)NCCCSC 2230a_100000749238_200011215066 [1,0,0,0,0,0|2,0,1]=4 1101 B11R0.81 CCCCC(C)NCCCSC 270004a_100000749238_100000210087 [1,0,0,0,0,0|2,0,1]=4 1102 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [1,0,0,0,0,0|2,0,1]=4 1103 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [1,0,0,0,0,0|1,1,1]=4 1104 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [1,0,0,0,0,0|1,1,1]=4 1105 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [1,0,0,0,0,0|1,1,1]=4 1106 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [1,0,0,0,0,0|1,0,1]=3 1107 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [1,0,0,0,0,0|1,0,1]=3 1108 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [1,0,0,0,0,0|2,0,1]=4 1109 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,0,0,0,0,0|2,0,0]=3 1110 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,0,0,0,0,0|2,0,0]=3 1111 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [1,0,0,0,0,0|3,0,0]=4 1112 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,0,0,0,0,0|3,0,0]=4 1113 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,0,0,0,0,0|3,0,0]=4 1114 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,0,0,0,0,0|3,0,0]=4 1115 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [1,0,0,0,0,0|3,0,0]=4 1116 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [1,0,0,0,0,0|3,0,0]=4 1117 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [1,0,0,0,0,0|3,0,0]=4 1118 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [1,0,0,0,0,0|3,0,0]=4 1119 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [1,0,0,0,0,0|3,0,0]=4 1120 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [1,0,0,0,0,0|3,0,0]=4 1121 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [1,0,0,0,0,0|3,0,0]=4 1122 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [1,0,0,0,0,0|3,0,0]=4 1123 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [1,0,0,0,0,0|2,0,0]=3 1124 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [1,0,0,0,0,0|2,0,0]=3 1125 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [1,0,0,0,0,0|2,0,0]=3 1126 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [1,0,0,0,0,0|2,0,0]=3 1127 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [1,0,0,0,0,0|3,0,0]=4 1128 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [1,0,0,0,0,0|3,0,0]=4 1129 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [1,0,0,0,0,0|3,0,0]=4 1130 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [1,0,0,0,0,0|3,0,0]=4 1131 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [1,0,0,0,0,0|3,0,0]=4 1132 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [1,0,0,0,0,0|3,0,0]=4 1133 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [1,0,0,0,0,0|3,0,0]=4 1134 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [1,0,0,0,0,0|3,0,0]=4 1135 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [1,0,0,0,0,0|3,0,0]=4 1136 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [1,0,0,0,0,0|3,0,0]=4 1137 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [1,0,0,0,0,0|3,0,0]=4 1138 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [1,0,0,0,0,0|3,0,0]=4 1139 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [1,0,0,0,0,0|3,0,0]=4 1140 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [1,0,0,0,0,0|3,0,0]=4 1141 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [1,0,0,0,0,0|3,0,0]=4 1142 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [1,0,0,0,0,0|3,0,0]=4 1143 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [1,0,0,0,0,0|3,0,0]=4 1144 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [1,0,0,0,0,0|3,0,0]=4 1145 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [1,0,0,0,0,0|3,0,0]=4 1146 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [1,0,0,0,0,0|3,0,0]=4 1147 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [1,0,0,0,0,0|3,0,0]=4 1148 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [1,0,0,0,0,0|3,0,0]=4 1149 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [1,0,0,0,0,0|3,0,0]=4 1150 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [1,0,0,0,0,0|3,0,0]=4 1151 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [1,0,0,0,0,0|3,0,0]=4 1152 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [1,0,0,0,0,0|3,0,0]=4 1153 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [1,0,0,0,0,0|2,0,1]=4 1154 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [1,0,0,0,0,0|2,0,1]=4 1155 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [1,0,0,0,0,0|2,0,1]=4 1156 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [1,0,0,0,0,0|2,0,1]=4 1157 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [1,0,0,0,0,0|3,0,0]=4 1158 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [1,0,0,0,0,0|3,0,0]=4 1159 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [1,0,0,0,0,0|3,0,0]=4 1160 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [1,0,0,0,0,0|3,0,0]=4 1161 B11R0.81 CCCNC(=O)CNCCSC 2230a_100000174927_100000751147 [1,0,0,0,0,0|3,0,0]=4 1162 B11R0.81 CCCNC(=O)CNCCSC 2230a_100020590264_100000183358 [1,0,0,0,0,0|3,0,0]=4 1163 B11R0.81 CCCNC(=O)COCCSC 34a_100000230434_100000183358 [1,0,0,0,0,0|3,0,0]=4 1164 B11R0.81 CCCNC(=O)COCCSC 7a_100000230434_100000183358 [1,0,0,0,0,0|3,0,0]=4 1165 B11R0.81 CCCNC(=O)CSCCSC 62a_100000183358_100000751147 [1,0,0,0,0,0|3,0,0]=4 1166 B11R0.81 CCCNC(=O)CSCCSC 62a_100000212216_100000183358 [1,0,0,0,0,0|3,0,0]=4 1167 B11R0.81 CCCNC(=O)NCCCOC 2708a_100020643023_100150723488 [1,0,0,0,0,0|2,1,0]=4 1168 B11R0.81 CCCNC(=O)NCCCOC 2708a_100150723488_100020643023 [1,0,0,0,0,0|2,1,0]=4 1169 B11R0.81 CCCNC(=O)NCCCOC 273464a_100020643023_100150723488 [1,0,0,0,0,0|2,1,0]=4 1170 B11R0.81 CCCNC(=O)NCCCOC 273464a_100150723488_100020643023 [1,0,0,0,0,0|2,1,0]=4 1171 B11R0.81 CCCNC(=O)NCCCOC 512a_100020643023_100150723488 [1,0,0,0,0,0|2,1,0]=4 1172 B11R0.81 CCCNC(=O)NCCCSC 2708a_100000749238_100020643023 [1,0,0,0,0,0|2,0,0]=3 1173 B11R0.81 CCCNC(=O)NCCCSC 2708a_100020643023_100000749238 [1,0,0,0,0,0|2,0,0]=3 1174 B11R0.81 CCCNC(=O)NCCCSC 273464a_100000749238_100020643023 [1,0,0,0,0,0|2,0,0]=3 1175 B11R0.81 CCCNC(=O)NCCCSC 273464a_100020643023_100000749238 [1,0,0,0,0,0|2,0,0]=3 1176 B11R0.81 CCCNC(=O)NCCCSC 512a_100000749238_100020643023 [1,0,0,0,0,0|2,0,0]=3 1177 B11R0.81 CCCNC(=O)NCCCSC 512a_100020643023_100000749238 [1,0,0,0,0,0|2,0,0]=3 1178 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [1,0,0,0,0,0|3,0,0]=4 1179 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [1,0,0,0,0,0|3,0,0]=4 1180 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [1,0,0,0,0,0|3,0,0]=4 1181 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [1,0,0,0,0,0|3,0,0]=4 1182 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [1,0,0,0,0,0|3,0,0]=4 1183 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [1,0,0,0,0,0|3,0,0]=4 1184 B11R0.81 CCCOC(=O)OCSCOC 62a_100000766300_200000139673 [1,0,0,0,0,0|2,1,0]=4 1185 B11R0.81 CCCOC(=O)OCSCSC 62a_100011218213_200000139673 [1,0,0,0,0,0|2,0,0]=3 1186 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [1,0,0,0,0,0|3,0,0]=4 1187 B11R0.81 CCNCC(=O)NCCCOC 2230a_100015525214_100000183178 [1,0,0,0,0,0|2,1,0]=4 1188 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [1,0,0,0,0,0|3,0,0]=4 1189 B11R0.81 CCNNC(=O)NCCCSC 273464a_100000749238_100000756455 [1,0,0,0,0,0|3,0,0]=4 1190 B11R0.81 CCNNC(=O)NCCCSC 512a_100000749238_100000756455 [1,0,0,0,0,0|3,0,0]=4 1191 B11R0.81 CCNNC(=O)NCCCSC 512a_100000756455_100000749238 [1,0,0,0,0,0|3,0,0]=4 1192 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [1,0,0,0,0,0|2,1,0]=4 1193 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [1,0,0,0,0,0|2,1,0]=4 1194 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [1,0,0,0,0,0|2,1,0]=4 1195 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [1,0,0,0,0,0|2,1,0]=4 1196 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [1,0,0,0,0,0|2,1,0]=4 1197 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [1,0,0,0,0,0|2,0,0]=3 1198 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [1,0,0,0,0,0|2,0,0]=3 1199 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [1,0,0,0,0,0|2,0,0]=3 1200 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [1,0,0,0,0,0|2,0,0]=3 1201 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [1,0,0,0,0,0|3,0,0]=4 1202 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [1,0,0,0,0,0|3,0,0]=4 1203 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [1,0,0,0,0,0|3,0,0]=4 1204 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [1,0,0,0,0,0|2,1,0]=4 1205 B11R0.81 CCSCC(=O)NCCCOC 1626a_100150723488_100000230394 [1,0,0,0,0,0|2,1,0]=4 1206 B11R0.81 CCSCC(=O)NCCCOC 240690a_100150723488_100000230394 [1,0,0,0,0,0|2,1,0]=4 1207 B11R0.81 CCSCC(=O)NCCCOC 527a_100150723488_100000230394 [1,0,0,0,0,0|2,1,0]=4 1208 B11R0.81 CCSCC(=O)NCCCOC 62a_100000183178_100000210202 [1,0,0,0,0,0|2,1,0]=4 1209 B11R0.81 CCSCC(=O)NCCCSC 11a_100000749238_100000230394 [1,0,0,0,0,0|2,0,0]=3 1210 B11R0.81 CCSCC(=O)NCCCSC 1626a_100000749238_100000230394 [1,0,0,0,0,0|2,0,0]=3 1211 B11R0.81 CCSCC(=O)NCCCSC 240690a_100000749238_100000230394 [1,0,0,0,0,0|2,0,0]=3 1212 B11R0.81 CCSCC(=O)NCCCSC 527a_100000749238_100000230394 [1,0,0,0,0,0|2,0,0]=3 1213 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [1,0,0,0,0,0|2,0,0]=3 1214 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [1,0,0,0,0,0|2,0,0]=3 1215 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [1,0,0,0,0,0|2,0,0]=3 1216 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [1,0,0,0,0,0|2,0,0]=3 1217 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [1,0,0,0,0,0|2,1,0]=4 1218 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [1,0,0,0,0,0|2,1,0]=4 1219 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [1,0,0,0,0,0|2,1,0]=4 1220 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [1,0,0,0,0,0|2,1,0]=4 1221 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [1,0,0,0,0,0|2,1,0]=4 1222 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [1,0,0,0,0,0|2,1,0]=4 1223 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [1,0,0,0,0,0|2,1,0]=4 1224 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [1,0,0,0,0,0|2,1,0]=4 1225 B11R0.81 CSCCCNC(=O)CCC#N 11a_100000749238_100011934036 [1,0,0,0,0,0|2,0,1]=4 1226 B11R0.81 CSCCCNC(=O)CCC#N 1626a_100000749238_100011934036 [1,0,0,0,0,0|2,0,1]=4 1227 B11R0.81 CSCCCNC(=O)CCC#N 240690a_100000749238_100011934036 [1,0,0,0,0,0|2,0,1]=4 1228 B11R0.81 CSCCCNC(=O)CCC#N 527a_100000749238_100011934036 [1,0,0,0,0,0|2,0,1]=4 1229 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [1,0,0,0,0,0|2,0,0]=3 1230 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [1,0,0,0,0,0|2,0,0]=3 1231 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [1,0,0,0,0,0|2,0,0]=3 1232 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [1,0,0,0,0,0|2,0,0]=3 1233 B11R0.81 CSCCCNC(=O)NCCF 2708a_100000749238_100000724931 [1,0,0,0,0,0|3,0,0]=4 1234 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000724931_100000749238 [1,0,0,0,0,0|3,0,0]=4 1235 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000749238_100000724931 [1,0,0,0,0,0|3,0,0]=4 1236 B11R0.81 CSCCCNC(=O)NCCF 512a_100000749238_100000724931 [1,0,0,0,0,0|3,0,0]=4 1237 B11R0.81 CSCCCNC(=O)NCCO 2708a_100000749238_100000210304 [1,0,0,0,0,0|3,0,0]=4 1238 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000210304_100000749238 [1,0,0,0,0,0|3,0,0]=4 1239 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000749238_100000210304 [1,0,0,0,0,0|3,0,0]=4 1240 B11R0.81 CSCCCNC(=O)NCCO 512a_100000749238_100000210304 [1,0,0,0,0,0|3,0,0]=4 1241 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [1,0,0,0,0,0|1,0,1]=3 1242 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [1,0,0,0,0,0|1,0,1]=3 1243 B11R0.140 C#CCCCC(=O)CCCCF 1458a_100000690238_100000729493 [1,0,0,0,0,0|2,0,1]=4 1244 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000690238_100000210776 [1,0,0,0,0,0|2,0,1]=4 1245 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000695505_100000731252 [1,0,0,0,0,0|2,0,1]=4 1246 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000690238_100000740836 [1,0,0,0,0,0|0,1,2]=4 1247 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000741012_100000731252 [1,0,0,0,0,0|0,1,2]=4 1248 B11R0.140 C#CCCCC(=O)CCCSC 1458a_100000173376_100000731252 [1,0,0,0,0,0|0,0,2]=3 1249 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000690238_100011215890 [1,0,0,0,0,0|2,0,1]=4 1250 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000749530_100000731252 [1,0,0,0,0,0|2,0,1]=4 1251 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000230768_100000731252 [1,0,0,0,0,0|2,0,1]=4 1252 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000690238_100000757381 [1,0,0,0,0,0|2,0,1]=4 1253 B11R0.140 C#CCCCC(=O)COCCC 1458a_100000745993_100000731252 [1,0,0,0,0,0|2,0,1]=4 1254 B11R0.140 C#CCCCC(=O)CSCCC 1458a_100000217233_100000731252 [1,0,0,0,0,0|2,0,1]=4 1255 B11R0.140 C#CCCCC(=O)NCCCC 11a_100000102301_100000690238 [1,0,0,0,0,0|1,0,2]=4 1256 B11R0.140 C#CCCCC(=O)NCCCC 1626a_100000102301_100000690238 [1,0,0,0,0,0|1,0,2]=4 1257 B11R0.140 C#CCCCC(=O)NCCCC 240690a_100000102301_100000690238 [1,0,0,0,0,0|1,0,2]=4 1258 B11R0.140 C#CCCCC(=O)NCCCC 527a_100000102301_100000690238 [1,0,0,0,0,0|1,0,2]=4 1259 B11R0.140 C#CCCCC(=O)NCCSC 11a_100020590264_100000690238 [1,0,0,0,0,0|1,0,2]=4 1260 B11R0.140 C#CCCCC(=O)NCCSC 1626a_100020590264_100000690238 [1,0,0,0,0,0|1,0,2]=4 1261 B11R0.140 C#CCCCC(=O)NCCSC 240690a_100020590264_100000690238 [1,0,0,0,0,0|1,0,2]=4 1262 B11R0.140 C#CCCCC(=O)NCCSC 527a_100020590264_100000690238 [1,0,0,0,0,0|1,0,2]=4 1263 B11R0.140 C#CCCNC(=O)CCCCC 11a_100000755551_100000212188 [1,0,0,0,0,0|1,0,2]=4 1264 B11R0.140 C#CCCNC(=O)CCCCC 1626a_100000755551_100000212188 [1,0,0,0,0,0|1,0,2]=4 1265 B11R0.140 C#CCCNC(=O)CCCCC 240690a_100000755551_100000212188 [1,0,0,0,0,0|1,0,2]=4 1266 B11R0.140 C#CCCNC(=O)CCCCC 527a_100000755551_100000212188 [1,0,0,0,0,0|1,0,2]=4 1267 B11R0.140 C#CCCNC(=O)CCCSC 11a_100000755551_100000173376 [1,0,0,0,0,0|1,0,2]=4 1268 B11R0.140 C#CCCNC(=O)CCCSC 1626a_100000755551_100000173376 [1,0,0,0,0,0|1,0,2]=4 1269 B11R0.140 C#CCCNC(=O)CCCSC 240690a_100000755551_100000173376 [1,0,0,0,0,0|1,0,2]=4 1270 B11R0.140 C#CCCNC(=O)CCCSC 527a_100000755551_100000173376 [1,0,0,0,0,0|1,0,2]=4 1271 B11R0.140 C#CCNCC(=O)CCCCC 34a_100000212058_200012276598 [1,0,0,0,0,0|2,0,1]=4 1272 B11R0.140 C#CCNCC(=O)OCCCC 34a_100000212058_100000211628 [1,0,0,0,0,0|1,0,2]=4 1273 B11R0.140 C#CCOCC(=O)CCCCC 1458a_100011251226_100000210326 [1,0,0,0,0,0|2,0,1]=4 1274 B11R0.140 C#CCOCC(=O)CCCCC 34a_100000210247_200012276598 [1,0,0,0,0,0|2,0,1]=4 1275 B11R0.140 C#CCOCC(=O)OCCCC 34a_100000210247_100000211628 [1,0,0,0,0,0|1,0,2]=4 1276 B11R0.140 C#CCSCC(=O)CCCCC 62a_100000038162_200012276598 [1,0,0,0,0,0|2,0,1]=4 1277 B11R0.140 C#CCSCC(=O)OCCCC 62a_100000038162_100000211628 [1,0,0,0,0,0|1,0,2]=4 1278 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,0,0,0,0,0|1,0,1]=3 1279 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,0,0,0,0,0|1,0,1]=3 1280 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [1,0,0,0,0,0|2,0,1]=4 1281 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [1,0,0,0,0,0|2,0,1]=4 1282 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [1,0,0,0,0,0|2,0,1]=4 1283 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [1,0,0,0,0,0|0,1,2]=4 1284 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [1,0,0,0,0,0|0,1,2]=4 1285 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [1,0,0,0,0,0|0,0,2]=3 1286 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [1,0,0,0,0,0|2,0,1]=4 1287 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [1,0,0,0,0,0|2,0,1]=4 1288 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [1,0,0,0,0,0|2,0,1]=4 1289 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [1,0,0,0,0,0|2,0,1]=4 1290 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [1,0,0,0,0,0|2,0,1]=4 1291 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [1,0,0,0,0,0|2,0,1]=4 1292 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [1,0,0,0,0,0|1,0,2]=4 1293 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [1,0,0,0,0,0|1,0,2]=4 1294 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [1,0,0,0,0,0|1,0,2]=4 1295 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [1,0,0,0,0,0|1,0,2]=4 1296 B11R0.140 C=CCCCC(=O)NCCSC 11a_100020590264_100000766728 [1,0,0,0,0,0|1,0,2]=4 1297 B11R0.140 C=CCCCC(=O)NCCSC 1626a_100020590264_100000766728 [1,0,0,0,0,0|1,0,2]=4 1298 B11R0.140 C=CCCCC(=O)NCCSC 240690a_100020590264_100000766728 [1,0,0,0,0,0|1,0,2]=4 1299 B11R0.140 C=CCCCC(=O)NCCSC 527a_100020590264_100000766728 [1,0,0,0,0,0|1,0,2]=4 1300 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [1,0,0,0,0,0|1,0,2]=4 1301 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [1,0,0,0,0,0|1,0,2]=4 1302 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [1,0,0,0,0,0|1,0,2]=4 1303 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [1,0,0,0,0,0|1,0,2]=4 1304 B11R0.140 C=CCCNC(=O)CCCSC 11a_100015191253_100000173376 [1,0,0,0,0,0|1,0,2]=4 1305 B11R0.140 C=CCCNC(=O)CCCSC 1626a_100015191253_100000173376 [1,0,0,0,0,0|1,0,2]=4 1306 B11R0.140 C=CCCNC(=O)CCCSC 240690a_100015191253_100000173376 [1,0,0,0,0,0|1,0,2]=4 1307 B11R0.140 C=CCCNC(=O)CCCSC 527a_100015191253_100000173376 [1,0,0,0,0,0|1,0,2]=4 1308 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [1,0,0,0,0,0|2,0,1]=4 1309 B11R0.140 C=CCNCC(=O)OCCCC 2230a_100020586998_100000211628 [1,0,0,0,0,0|1,0,2]=4 1310 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [1,0,0,0,0,0|2,0,1]=4 1311 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [1,0,0,0,0,0|1,0,2]=4 1312 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [1,0,0,0,0,0|2,0,1]=4 1313 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [1,0,0,0,0,0|2,0,1]=4 1314 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [1,0,0,0,0,0|2,0,1]=4 1315 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000210623_100000211628 [1,0,0,0,0,0|1,0,2]=4 1316 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000211628_100000210623 [1,0,0,0,0,0|1,0,2]=4 1317 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [1,0,0,0,0,0|2,0,1]=4 1318 B11R0.140 C=COCCC(=O)CCCSC 1458a_100000173376_100000039644 [1,0,0,0,0,0|1,0,2]=4 1319 B11R0.140 CC#CCNC(=O)CCCCC 11a_100000685387_100000212188 [1,0,0,0,0,0|1,0,2]=4 1320 B11R0.140 CC#CCNC(=O)CCCCC 1626a_100000685387_100000212188 [1,0,0,0,0,0|1,0,2]=4 1321 B11R0.140 CC#CCNC(=O)CCCCC 527a_100000685387_100000212188 [1,0,0,0,0,0|1,0,2]=4 1322 B11R0.140 CC#CCNC(=O)CCCSC 11a_100000685387_100000173376 [1,0,0,0,0,0|1,0,2]=4 1323 B11R0.140 CC#CCNC(=O)CCCSC 1626a_100000685387_100000173376 [1,0,0,0,0,0|1,0,2]=4 1324 B11R0.140 CC#CCNC(=O)CCCSC 527a_100000685387_100000173376 [1,0,0,0,0,0|1,0,2]=4 1325 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [1,0,0,0,0,0|1,0,2]=4 1326 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [1,0,0,0,0,0|0,1,2]=4 1327 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [1,0,0,0,0,0|1,0,2]=4 1328 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [1,0,0,0,0,0|1,0,2]=4 1329 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [1,0,0,0,0,0|1,0,2]=4 1330 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [1,0,0,0,0,0|1,0,2]=4 1331 B11R0.140 CC/C=C/CC(=O)NCCSC 11a_100020590264_100016274230 [1,0,0,0,0,0|1,0,2]=4 1332 B11R0.140 CC/C=C/CC(=O)NCCSC 1626a_100020590264_100016274230 [1,0,0,0,0,0|1,0,2]=4 1333 B11R0.140 CC/C=C/CC(=O)NCCSC 240690a_100020590264_100016274230 [1,0,0,0,0,0|1,0,2]=4 1334 B11R0.140 CC/C=C/CC(=O)NCCSC 527a_100020590264_100016274230 [1,0,0,0,0,0|1,0,2]=4 1335 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [1,0,0,0,0,0|1,0,2]=4 1336 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [1,0,0,0,0,0|0,1,2]=4 1337 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [1,0,0,0,0,0|0,0,2]=3 1338 B11R0.140 CCC#CCC(=O)CCCCC 1458a_100000212188_100009813939 [1,0,0,0,0,0|1,0,2]=4 1339 B11R0.140 CCC#CCC(=O)CCCOC 1458a_100000741012_100009813939 [1,0,0,0,0,0|0,1,2]=4 1340 B11R0.140 CCC#CCC(=O)CCCSC 1458a_100000173376_100009813939 [1,0,0,0,0,0|0,0,2]=3 1341 B11R0.140 CCC=NNC(=O)CCCCC 4a_100000189784_100000210100 [1,0,0,0,0,0|2,0,1]=4 1342 B11R0.140 CCCC#CC(=O)CCCCC 1458a_200011218047_100000210326 [1,0,0,0,0,0|1,0,1]=3 1343 B11R0.140 CCCC#CC(=O)CCCCF 1458a_200011218047_100000729493 [1,0,0,0,0,0|2,0,1]=4 1344 B11R0.140 CCCC#CC(=O)CCCCO 1458a_200011218047_100000210776 [1,0,0,0,0,0|2,0,1]=4 1345 B11R0.140 CCCC#CC(=O)CCCOC 1458a_200011218047_100000740836 [1,0,0,0,0,0|0,1,2]=4 1346 B11R0.140 CCCC#CC(=O)CCOCC 1458a_200011218047_100011215890 [1,0,0,0,0,0|2,0,1]=4 1347 B11R0.140 CCCC#CC(=O)CCSCC 1458a_200011218047_100000757381 [1,0,0,0,0,0|2,0,1]=4 1348 B11R0.140 CCCC#CC(=O)NCCCC 240690a_100000102301_200011218047 [1,0,0,0,0,0|1,0,2]=4 1349 B11R0.140 CCCC#CC(=O)NCCSC 240690a_100020590264_200011218047 [1,0,0,0,0,0|1,0,2]=4 1350 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [1,0,0,0,0,0|1,0,1]=3 1351 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [1,0,0,0,0,0|2,0,1]=4 1352 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [1,0,0,0,0,0|2,0,1]=4 1353 B11R0.140 CCCC=CC(=O)CCCOC 1458a_100000212230_100000740836 [1,0,0,0,0,0|0,1,2]=4 1354 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [1,0,0,0,0,0|2,0,1]=4 1355 B11R0.140 CCCC=CC(=O)CCSCC 1458a_100000212230_100000757381 [1,0,0,0,0,0|2,0,1]=4 1356 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [1,0,0,0,0,0|1,0,2]=4 1357 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [1,0,0,0,0,0|1,0,2]=4 1358 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [1,0,0,0,0,0|1,0,2]=4 1359 B11R0.140 CCCC=CC(=O)NCCSC 11a_100020590264_100000212230 [1,0,0,0,0,0|1,0,2]=4 1360 B11R0.140 CCCC=CC(=O)NCCSC 1626a_100020590264_100000212230 [1,0,0,0,0,0|1,0,2]=4 1361 B11R0.140 CCCC=CC(=O)NCCSC 240690a_100020590264_100000212230 [1,0,0,0,0,0|1,0,2]=4 1362 B11R0.140 CCCCCC(=NNCCC)C 4a_100000740057_100000211708 [1,0,0,0,0,0|3,0,0]=4 1363 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [1,0,0,0,0,0|0,1,2]=4 1364 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [1,0,0,0,0,0|2,0,1]=4 1365 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [1,0,0,0,0,0|2,0,0]=3 1366 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [1,0,0,0,0,0|2,0,0]=3 1367 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [1,0,0,0,0,0|1,0,0]=2 1368 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [1,0,0,0,0,0|2,0,0]=3 1369 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,0,0,0,0,0|1,1,0]=3 1370 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,0,0,0,0,0|1,1,0]=3 1371 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [1,0,0,0,0,0|0,1,0]=2 1372 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [1,0,0,0,0,0|0,1,0]=2 1373 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [1,0,0,0,0,0|0,0,0]=1 1374 B11R0.140 CCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210326 [1,0,0,0,0,0|3,0,0]=4 1375 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,0,0,0,0,0|2,0,0]=3 1376 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,0,0,0,0,0|2,0,0]=3 1377 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [1,0,0,0,0,0|2,0,0]=3 1378 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [1,0,0,0,0,0|2,0,0]=3 1379 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [1,0,0,0,0,0|3,0,0]=4 1380 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [1,0,0,0,0,0|2,1,0]=4 1381 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [1,0,0,0,0,0|2,1,0]=4 1382 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [1,0,0,0,0,0|3,0,0]=4 1383 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [1,0,0,0,0,0|2,0,0]=3 1384 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [1,0,0,0,0,0|2,0,0]=3 1385 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [1,0,0,0,0,0|3,0,0]=4 1386 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [1,0,0,0,0,0|2,1,0]=4 1387 B11R0.140 CCCCCC(=O)CSCC#N 1458a_100000150266_100000210326 [1,0,0,0,0,0|3,0,0]=4 1388 B11R0.140 CCCCCC(=O)CSCC#N 62a_100011215382_200012276598 [1,0,0,0,0,0|3,0,0]=4 1389 B11R0.140 CCCCCC(=O)CSCC#N 62a_200012276598_100011215382 [1,0,0,0,0,0|3,0,0]=4 1390 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [1,0,0,0,0,0|3,0,0]=4 1391 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [1,0,0,0,0,0|3,0,0]=4 1392 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [1,0,0,0,0,0|2,0,0]=3 1393 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [1,0,0,0,0,0|2,0,0]=3 1394 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [1,0,0,0,0,0|2,0,0]=3 1395 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [1,0,0,0,0,0|3,0,0]=4 1396 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [1,0,0,0,0,0|3,0,0]=4 1397 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [1,0,0,0,0,0|2,1,0]=4 1398 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [1,0,0,0,0,0|2,1,0]=4 1399 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [1,0,0,0,0,0|1,1,0]=3 1400 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [1,0,0,0,0,0|1,1,0]=3 1401 B11R0.140 CCCCCC(=O)CSCSC 62a_100011218213_200012276598 [1,0,0,0,0,0|1,0,0]=2 1402 B11R0.140 CCCCCC(=O)CSCSC 62a_200012276598_100011218213 [1,0,0,0,0,0|1,0,0]=2 1403 B11R0.140 CCCCCC(=O)NCCC#N 11a_100000720768_100000212188 [1,0,0,0,0,0|2,0,1]=4 1404 B11R0.140 CCCCCC(=O)NCCC#N 1626a_100000720768_100000212188 [1,0,0,0,0,0|2,0,1]=4 1405 B11R0.140 CCCCCC(=O)NCCC#N 240690a_100000720768_100000212188 [1,0,0,0,0,0|2,0,1]=4 1406 B11R0.140 CCCCCC(=O)NCCC#N 527a_100000720768_100000212188 [1,0,0,0,0,0|2,0,1]=4 1407 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [1,0,0,0,0,0|1,0,0]=2 1408 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [1,0,0,0,0,0|1,0,0]=2 1409 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [1,0,0,0,0,0|1,0,0]=2 1410 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [1,0,0,0,0,0|1,0,0]=2 1411 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [1,0,0,0,0,0|2,0,0]=3 1412 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [1,0,0,0,0,0|2,0,0]=3 1413 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [1,0,0,0,0,0|2,0,0]=3 1414 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [1,0,0,0,0,0|2,0,0]=3 1415 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [1,0,0,0,0,0|1,1,0]=3 1416 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [1,0,0,0,0,0|1,1,0]=3 1417 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [1,0,0,0,0,0|1,1,0]=3 1418 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [1,0,0,0,0,0|1,1,0]=3 1419 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [1,0,0,0,0,0|1,1,0]=3 1420 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [1,0,0,0,0,0|1,0,0]=2 1421 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [1,0,0,0,0,0|1,0,0]=2 1422 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [1,0,0,0,0,0|1,0,0]=2 1423 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [1,0,0,0,0,0|1,0,0]=2 1424 B11R0.140 CCCCCC(=O)NNCCC 22a_100000740057_100000212188 [1,0,0,0,0,0|2,0,0]=3 1425 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [1,0,0,0,0,0|2,1,0]=4 1426 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [1,0,0,0,0,0|2,0,1]=4 1427 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [1,0,0,0,0,0|2,0,1]=4 1428 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [1,0,0,0,0,0|2,0,1]=4 1429 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [1,0,0,0,0,0|2,0,1]=4 1430 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [1,0,0,0,0,0|2,0,1]=4 1431 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [1,0,0,0,0,0|2,0,1]=4 1432 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [1,0,0,0,0,0|2,0,1]=4 1433 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [1,0,0,0,0,0|2,0,1]=4 1434 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [1,0,0,0,0,0|1,0,1]=3 1435 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [1,0,0,0,0,0|1,0,1]=3 1436 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [1,0,0,0,0,0|1,0,1]=3 1437 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [1,0,0,0,0,0|1,0,1]=3 1438 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [1,0,0,0,0,0|2,0,1]=4 1439 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [1,0,0,0,0,0|2,0,1]=4 1440 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [1,0,0,0,0,0|2,0,1]=4 1441 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [1,0,0,0,0,0|2,0,1]=4 1442 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [1,0,0,0,0,0|2,0,1]=4 1443 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [1,0,0,0,0,0|1,1,1]=4 1444 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [1,0,0,0,0,0|1,1,1]=4 1445 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [1,0,0,0,0,0|1,1,1]=4 1446 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [1,0,0,0,0,0|1,1,1]=4 1447 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [1,0,0,0,0,0|1,1,1]=4 1448 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [1,0,0,0,0,0|1,0,1]=3 1449 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [1,0,0,0,0,0|1,0,1]=3 1450 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [1,0,0,0,0,0|1,0,1]=3 1451 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [1,0,0,0,0,0|1,0,1]=3 1452 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [1,0,0,0,0,0|1,1,1]=4 1453 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [1,0,0,0,0,0|1,1,1]=4 1454 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [1,0,0,0,0,0|1,1,1]=4 1455 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [1,0,0,0,0,0|1,1,1]=4 1456 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [1,0,0,0,0,0|3,0,0]=4 1457 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [1,0,0,0,0,0|3,0,0]=4 1458 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [1,0,0,0,0,0|3,0,0]=4 1459 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [1,0,0,0,0,0|3,0,0]=4 1460 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [1,0,0,0,0,0|2,1,0]=4 1461 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [1,0,0,0,0,0|2,1,0]=4 1462 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [1,0,0,0,0,0|2,1,0]=4 1463 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [1,0,0,0,0,0|2,1,0]=4 1464 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [1,0,0,0,0,0|3,0,0]=4 1465 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [1,0,0,0,0,0|3,0,0]=4 1466 B11R0.140 CCCCNC(=O)CCCC#N 11a_100000102301_100000075515 [1,0,0,0,0,0|2,0,1]=4 1467 B11R0.140 CCCCNC(=O)CCCC#N 1626a_100000102301_100000075515 [1,0,0,0,0,0|2,0,1]=4 1468 B11R0.140 CCCCNC(=O)CCCC#N 240690a_100000102301_100000075515 [1,0,0,0,0,0|2,0,1]=4 1469 B11R0.140 CCCCNC(=O)CCCC#N 527a_100000102301_100000075515 [1,0,0,0,0,0|2,0,1]=4 1470 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [1,0,0,0,0,0|2,0,0]=3 1471 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [1,0,0,0,0,0|1,1,0]=3 1472 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [1,0,0,0,0,0|1,1,0]=3 1473 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [1,0,0,0,0,0|1,1,0]=3 1474 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [1,0,0,0,0,0|1,1,0]=3 1475 B11R0.140 CCCCNC(=O)CCCSC 11a_100000102301_100000173376 [1,0,0,0,0,0|1,0,0]=2 1476 B11R0.140 CCCCNC(=O)CCCSC 1626a_100000102301_100000173376 [1,0,0,0,0,0|1,0,0]=2 1477 B11R0.140 CCCCNC(=O)CCCSC 240690a_100000102301_100000173376 [1,0,0,0,0,0|1,0,0]=2 1478 B11R0.140 CCCCNC(=O)CCCSC 527a_100000102301_100000173376 [1,0,0,0,0,0|1,0,0]=2 1479 B11R0.140 CCCCNC(=O)CCOCC 11a_100000102301_100000749530 [1,0,0,0,0,0|2,0,0]=3 1480 B11R0.140 CCCCNC(=O)CCOCC 1626a_100000102301_100000749530 [1,0,0,0,0,0|2,0,0]=3 1481 B11R0.140 CCCCNC(=O)CCOCC 240690a_100000102301_100000749530 [1,0,0,0,0,0|2,0,0]=3 1482 B11R0.140 CCCCNC(=O)CCOCC 527a_100000102301_100000749530 [1,0,0,0,0,0|2,0,0]=3 1483 B11R0.140 CCCCNC(=O)CCSCC 11a_100000102301_100000230768 [1,0,0,0,0,0|2,0,0]=3 1484 B11R0.140 CCCCNC(=O)CCSCC 1626a_100000102301_100000230768 [1,0,0,0,0,0|2,0,0]=3 1485 B11R0.140 CCCCNC(=O)CCSCC 240690a_100000102301_100000230768 [1,0,0,0,0,0|2,0,0]=3 1486 B11R0.140 CCCCNC(=O)CCSCC 527a_100000102301_100000230768 [1,0,0,0,0,0|2,0,0]=3 1487 B11R0.140 CCCCNC(=O)CNCCF 34a_100000724931_100000182744 [1,0,0,0,0,0|3,0,0]=4 1488 B11R0.140 CCCCNC(=O)CNCCO 2230a_100016997473_100000182744 [1,0,0,0,0,0|3,0,0]=4 1489 B11R0.140 CCCCNC(=O)CNCCO 34a_100016990907_100000182744 [1,0,0,0,0,0|3,0,0]=4 1490 B11R0.140 CCCCNC(=O)COCCBr 34a_100000211926_100000182744 [1,0,0,0,0,0|3,0,0]=4 1491 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [1,0,0,0,0,0|2,0,0]=3 1492 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [1,0,0,0,0,0|2,0,0]=3 1493 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [1,0,0,0,0,0|2,0,0]=3 1494 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [1,0,0,0,0,0|2,0,0]=3 1495 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [1,0,0,0,0,0|2,0,0]=3 1496 B11R0.140 CCCCNC(=O)COCCN 34a_100000210304_100000182744 [1,0,0,0,0,0|3,0,0]=4 1497 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [1,0,0,0,0,0|3,0,0]=4 1498 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [1,0,0,0,0,0|3,0,0]=4 1499 B11R0.140 CCCCNC(=O)CSCCC 11a_100000102301_100000217233 [1,0,0,0,0,0|2,0,0]=3 1500 B11R0.140 CCCCNC(=O)CSCCC 1626a_100000102301_100000217233 [1,0,0,0,0,0|2,0,0]=3 1501 B11R0.140 CCCCNC(=O)CSCCC 240690a_100000102301_100000217233 [1,0,0,0,0,0|2,0,0]=3 1502 B11R0.140 CCCCNC(=O)CSCCC 527a_100000102301_100000217233 [1,0,0,0,0,0|2,0,0]=3 1503 B11R0.140 CCCCNC(=O)CSCCC 62a_100000182744_100000210303 [1,0,0,0,0,0|2,0,0]=3 1504 B11R0.140 CCCCNC(=O)CSCCC 62a_100000210303_100000182744 [1,0,0,0,0,0|2,0,0]=3 1505 B11R0.140 CCCCNC(=O)CSCCF 62a_100000182744_100011217306 [1,0,0,0,0,0|3,0,0]=4 1506 B11R0.140 CCCCNC(=O)CSCCF 62a_100011217306_100000182744 [1,0,0,0,0,0|3,0,0]=4 1507 B11R0.140 CCCCNC(=O)CSCCO 62a_100000182744_100000211926 [1,0,0,0,0,0|3,0,0]=4 1508 B11R0.140 CCCCNC(=O)CSCCO 62a_100000211926_100000182744 [1,0,0,0,0,0|3,0,0]=4 1509 B11R0.140 CCCCNC(=O)CSCOC 62a_100000182744_100000766300 [1,0,0,0,0,0|2,1,0]=4 1510 B11R0.140 CCCCNC(=O)CSCOC 62a_100000766300_100000182744 [1,0,0,0,0,0|2,1,0]=4 1511 B11R0.140 CCCCNC(=O)CSCSC 62a_100000182744_100011218213 [1,0,0,0,0,0|2,0,0]=3 1512 B11R0.140 CCCCNC(=O)CSCSC 62a_100011218213_100000182744 [1,0,0,0,0,0|2,0,0]=3 1513 B11R0.140 CCCCNC(=O)NCCCC 2708a_100000102301_100000102301 [1,0,0,0,0,0|2,0,0]=3 1514 B11R0.140 CCCCNC(=O)NCCCC 273464a_100000102301_100000102301 [1,0,0,0,0,0|2,0,0]=3 1515 B11R0.140 CCCCNC(=O)NCCCC 512a_100000102301_100000102301 [1,0,0,0,0,0|2,0,0]=3 1516 B11R0.140 CCCCNC(=O)NCCCF 2708a_100000102301_100015189416 [1,0,0,0,0,0|3,0,0]=4 1517 B11R0.140 CCCCNC(=O)NCCCF 2708a_100015189416_100000102301 [1,0,0,0,0,0|3,0,0]=4 1518 B11R0.140 CCCCNC(=O)NCCCF 273464a_100000102301_100015189416 [1,0,0,0,0,0|3,0,0]=4 1519 B11R0.140 CCCCNC(=O)NCCCF 273464a_100015189416_100000102301 [1,0,0,0,0,0|3,0,0]=4 1520 B11R0.140 CCCCNC(=O)NCCCF 512a_100000102301_100015189416 [1,0,0,0,0,0|3,0,0]=4 1521 B11R0.140 CCCCNC(=O)NCCCF 512a_100015189416_100000102301 [1,0,0,0,0,0|3,0,0]=4 1522 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [1,0,0,0,0,0|2,1,0]=4 1523 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [1,0,0,0,0,0|2,1,0]=4 1524 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [1,0,0,0,0,0|2,1,0]=4 1525 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [1,0,0,0,0,0|2,1,0]=4 1526 B11R0.140 CCCCNC(=O)NCCOC 2708a_100000102301_100000209980 [1,0,0,0,0,0|2,1,0]=4 1527 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000102301_100000209980 [1,0,0,0,0,0|2,1,0]=4 1528 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000209980_100000102301 [1,0,0,0,0,0|2,1,0]=4 1529 B11R0.140 CCCCNC(=O)NCCSC 2708a_100000102301_100020590264 [1,0,0,0,0,0|2,0,0]=3 1530 B11R0.140 CCCCNC(=O)NCCSC 2708a_100020590264_100000102301 [1,0,0,0,0,0|2,0,0]=3 1531 B11R0.140 CCCCNC(=O)NCCSC 273464a_100000102301_100020590264 [1,0,0,0,0,0|2,0,0]=3 1532 B11R0.140 CCCCNC(=O)NCCSC 273464a_100020590264_100000102301 [1,0,0,0,0,0|2,0,0]=3 1533 B11R0.140 CCCCNC(=O)NCCSC 512a_100000102301_100020590264 [1,0,0,0,0,0|2,0,0]=3 1534 B11R0.140 CCCCNC(=O)NCCSC 512a_100020590264_100000102301 [1,0,0,0,0,0|2,0,0]=3 1535 B11R0.140 CCCCNC(=O)NNCCC 273464a_100000102301_100000740057 [1,0,0,0,0,0|3,0,0]=4 1536 B11R0.140 CCCCNC(=O)NNCCC 512a_100000102301_100000740057 [1,0,0,0,0,0|3,0,0]=4 1537 B11R0.140 CCCCNC(=O)NNCCC 512a_100000740057_100000102301 [1,0,0,0,0,0|3,0,0]=4 1538 B11R0.140 CCCCNC(C)CCCSC 270004a_100000102301_100011399439 [1,0,0,0,0,0|2,0,1]=4 1539 B11R0.140 CCCCOC(=O)CNCCF 34a_100000724931_100000211628 [1,0,0,0,0,0|2,0,0]=3 1540 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [1,0,0,0,0,0|2,0,0]=3 1541 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [1,0,0,0,0,0|2,0,0]=3 1542 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [1,0,0,0,0,0|2,0,0]=3 1543 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [1,0,0,0,0,0|1,0,0]=2 1544 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [1,0,0,0,0,0|2,0,0]=3 1545 B11R0.140 CCCCOC(=O)CSCC#N 62a_100000211628_100011215382 [1,0,0,0,0,0|2,0,1]=4 1546 B11R0.140 CCCCOC(=O)CSCC#N 62a_100011215382_100000211628 [1,0,0,0,0,0|2,0,1]=4 1547 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [1,0,0,0,0,0|2,0,1]=4 1548 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [1,0,0,0,0,0|2,0,1]=4 1549 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [1,0,0,0,0,0|1,0,0]=2 1550 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [1,0,0,0,0,0|1,0,0]=2 1551 B11R0.140 CCCCOC(=O)CSCCF 62a_100000211628_100011217306 [1,0,0,0,0,0|2,0,0]=3 1552 B11R0.140 CCCCOC(=O)CSCCF 62a_100011217306_100000211628 [1,0,0,0,0,0|2,0,0]=3 1553 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [1,0,0,0,0,0|2,0,0]=3 1554 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [1,0,0,0,0,0|2,0,0]=3 1555 B11R0.140 CCCCOC(=O)CSCOC 62a_100000211628_100000766300 [1,0,0,0,0,0|2,0,0]=3 1556 B11R0.140 CCCCOC(=O)CSCOC 62a_100000766300_100000211628 [1,0,0,0,0,0|2,0,0]=3 1557 B11R0.140 CCCCOC(=O)CSCSC 62a_100000211628_100011218213 [1,0,0,0,0,0|2,0,0]=3 1558 B11R0.140 CCCCOC(=O)CSCSC 62a_100011218213_100000211628 [1,0,0,0,0,0|2,0,0]=3 1559 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [1,0,0,0,0,0|2,0,1]=4 1560 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [1,0,0,0,0,0|2,0,1]=4 1561 B11R0.140 CCCNCC(=O)NCCOC 2230a_100000754632_100000210303 [1,0,0,0,0,0|2,1,0]=4 1562 B11R0.140 CCCNN=C(C)CCCSC 4a_100000740057_100011399439 [1,0,0,0,0,0|3,0,0]=4 1563 B11R0.140 CCCNNC(=O)CCCOC 22a_100000740057_100000741012 [1,0,0,0,0,0|2,1,0]=4 1564 B11R0.140 CCCNNC(=O)CCCSC 22a_100000740057_100000173376 [1,0,0,0,0,0|2,0,0]=3 1565 B11R0.140 CCCNNC(=O)CCOCC 22a_100000740057_100000749530 [1,0,0,0,0,0|3,0,0]=4 1566 B11R0.140 CCCNNC(=O)CCSCC 22a_100000740057_100000230768 [1,0,0,0,0,0|3,0,0]=4 1567 B11R0.140 CCCNNC(=O)COCCC 22a_100000740057_100000745993 [1,0,0,0,0,0|3,0,0]=4 1568 B11R0.140 CCCNNC(=O)CSCCC 22a_100000740057_100000217233 [1,0,0,0,0,0|3,0,0]=4 1569 B11R0.140 CCCNNC(=O)NCCSC 273464a_100020590264_100000740057 [1,0,0,0,0,0|3,0,0]=4 1570 B11R0.140 CCCNNC(=O)NCCSC 512a_100000740057_100020590264 [1,0,0,0,0,0|3,0,0]=4 1571 B11R0.140 CCCNNC(=O)NCCSC 512a_100020590264_100000740057 [1,0,0,0,0,0|3,0,0]=4 1572 B11R0.140 CCCOCC(=O)CCCC#N 1458a_100000745993_100000211468 [1,0,0,0,0,0|3,0,0]=4 1573 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [1,0,0,0,0,0|3,0,0]=4 1574 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [1,0,0,0,0,0|2,1,0]=4 1575 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [1,0,0,0,0,0|1,1,0]=3 1576 B11R0.140 CCCOCC(=O)CCOCC 1458a_100000745993_100011215890 [1,0,0,0,0,0|3,0,0]=4 1577 B11R0.140 CCCOCC(=O)CCSCC 1458a_100000745993_100000757381 [1,0,0,0,0,0|3,0,0]=4 1578 B11R0.140 CCCOCC(=O)NCCCF 11a_100015189416_100000745993 [1,0,0,0,0,0|3,0,0]=4 1579 B11R0.140 CCCOCC(=O)NCCCF 1626a_100015189416_100000745993 [1,0,0,0,0,0|3,0,0]=4 1580 B11R0.140 CCCOCC(=O)NCCCF 240690a_100015189416_100000745993 [1,0,0,0,0,0|3,0,0]=4 1581 B11R0.140 CCCOCC(=O)NCCCF 527a_100015189416_100000745993 [1,0,0,0,0,0|3,0,0]=4 1582 B11R0.140 CCCOCC(=O)NCCCO 240690a_100000182051_100000745993 [1,0,0,0,0,0|2,1,0]=4 1583 B11R0.140 CCCOCC(=O)NCCCO 527a_100000182051_100000745993 [1,0,0,0,0,0|2,1,0]=4 1584 B11R0.140 CCCOCC(=O)NCCOC 1626a_100000209980_100000745993 [1,0,0,0,0,0|2,1,0]=4 1585 B11R0.140 CCCOCC(=O)NCCOC 240690a_100000209980_100000745993 [1,0,0,0,0,0|2,1,0]=4 1586 B11R0.140 CCCOCC(=O)NCCOC 34a_100000210258_100000183275 [1,0,0,0,0,0|2,1,0]=4 1587 B11R0.140 CCCOCC(=O)NCCOC 527a_100000209980_100000745993 [1,0,0,0,0,0|2,1,0]=4 1588 B11R0.140 CCCOCC(=O)NCCSC 11a_100020590264_100000745993 [1,0,0,0,0,0|2,0,0]=3 1589 B11R0.140 CCCOCC(=O)NCCSC 1626a_100020590264_100000745993 [1,0,0,0,0,0|2,0,0]=3 1590 B11R0.140 CCCOCC(=O)NCCSC 240690a_100020590264_100000745993 [1,0,0,0,0,0|2,0,0]=3 1591 B11R0.140 CCCOCC(=O)NCCSC 527a_100020590264_100000745993 [1,0,0,0,0,0|2,0,0]=3 1592 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [1,0,0,0,0,0|1,1,0]=3 1593 B11R0.140 CCCSCC(=O)CCCC#N 1458a_100000217233_100000211468 [1,0,0,0,0,0|3,0,0]=4 1594 B11R0.140 CCCSCC(=O)CCCCF 1458a_100000217233_100000729493 [1,0,0,0,0,0|3,0,0]=4 1595 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [1,0,0,0,0,0|2,1,0]=4 1596 B11R0.140 CCCSCC(=O)CCCOC 1458a_100000217233_100000740836 [1,0,0,0,0,0|1,1,0]=3 1597 B11R0.140 CCCSCC(=O)CCOCC 1458a_100000217233_100011215890 [1,0,0,0,0,0|3,0,0]=4 1598 B11R0.140 CCCSCC(=O)CCSCC 1458a_100000217233_100000757381 [1,0,0,0,0,0|3,0,0]=4 1599 B11R0.140 CCCSCC(=O)NCCCF 11a_100015189416_100000217233 [1,0,0,0,0,0|3,0,0]=4 1600 B11R0.140 CCCSCC(=O)NCCCF 1626a_100015189416_100000217233 [1,0,0,0,0,0|3,0,0]=4 1601 B11R0.140 CCCSCC(=O)NCCCF 240690a_100015189416_100000217233 [1,0,0,0,0,0|3,0,0]=4 1602 B11R0.140 CCCSCC(=O)NCCCF 527a_100015189416_100000217233 [1,0,0,0,0,0|3,0,0]=4 1603 B11R0.140 CCCSCC(=O)NCCCO 240690a_100000182051_100000217233 [1,0,0,0,0,0|2,1,0]=4 1604 B11R0.140 CCCSCC(=O)NCCCO 527a_100000182051_100000217233 [1,0,0,0,0,0|2,1,0]=4 1605 B11R0.140 CCCSCC(=O)NCCOC 1626a_100000209980_100000217233 [1,0,0,0,0,0|2,1,0]=4 1606 B11R0.140 CCCSCC(=O)NCCOC 240690a_100000209980_100000217233 [1,0,0,0,0,0|2,1,0]=4 1607 B11R0.140 CCCSCC(=O)NCCOC 527a_100000209980_100000217233 [1,0,0,0,0,0|2,1,0]=4 1608 B11R0.140 CCCSCC(=O)NCCOC 62a_100000183275_100000210303 [1,0,0,0,0,0|2,1,0]=4 1609 B11R0.140 CCCSCC(=O)NCCOC 62a_100000210303_100000183275 [1,0,0,0,0,0|2,1,0]=4 1610 B11R0.140 CCCSCC(=O)NCCSC 11a_100020590264_100000217233 [1,0,0,0,0,0|2,0,0]=3 1611 B11R0.140 CCCSCC(=O)NCCSC 1626a_100020590264_100000217233 [1,0,0,0,0,0|2,0,0]=3 1612 B11R0.140 CCCSCC(=O)NCCSC 240690a_100020590264_100000217233 [1,0,0,0,0,0|2,0,0]=3 1613 B11R0.140 CCCSCC(=O)NCCSC 527a_100020590264_100000217233 [1,0,0,0,0,0|2,0,0]=3 1614 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [1,0,0,0,0,0|1,1,0]=3 1615 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [1,0,0,0,0,0|1,1,0]=3 1616 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000075515_100011215890 [1,0,0,0,0,0|3,0,0]=4 1617 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000749530_100000211468 [1,0,0,0,0,0|3,0,0]=4 1618 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [1,0,0,0,0,0|3,0,0]=4 1619 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [1,0,0,0,0,0|2,1,0]=4 1620 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [1,0,0,0,0,0|2,1,0]=4 1621 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [1,0,0,0,0,0|1,1,0]=3 1622 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [1,0,0,0,0,0|1,1,0]=3 1623 B11R0.140 CCOCCC(=O)CCCSC 1458a_100000173376_100011215890 [1,0,0,0,0,0|1,0,0]=2 1624 B11R0.140 CCOCCC(=O)CCOCC 1458a_100000749530_100011215890 [1,0,0,0,0,0|3,0,0]=4 1625 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000230768_100011215890 [1,0,0,0,0,0|3,0,0]=4 1626 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000749530_100000757381 [1,0,0,0,0,0|3,0,0]=4 1627 B11R0.140 CCOCCC(=O)NCCCF 11a_100015189416_100000749530 [1,0,0,0,0,0|3,0,0]=4 1628 B11R0.140 CCOCCC(=O)NCCCF 1626a_100015189416_100000749530 [1,0,0,0,0,0|3,0,0]=4 1629 B11R0.140 CCOCCC(=O)NCCCF 240690a_100015189416_100000749530 [1,0,0,0,0,0|3,0,0]=4 1630 B11R0.140 CCOCCC(=O)NCCCF 527a_100015189416_100000749530 [1,0,0,0,0,0|3,0,0]=4 1631 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [1,0,0,0,0,0|2,1,0]=4 1632 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [1,0,0,0,0,0|2,1,0]=4 1633 B11R0.140 CCOCCC(=O)NCCOC 1626a_100000209980_100000749530 [1,0,0,0,0,0|2,1,0]=4 1634 B11R0.140 CCOCCC(=O)NCCOC 240690a_100000209980_100000749530 [1,0,0,0,0,0|2,1,0]=4 1635 B11R0.140 CCOCCC(=O)NCCOC 527a_100000209980_100000749530 [1,0,0,0,0,0|2,1,0]=4 1636 B11R0.140 CCOCCC(=O)NCCSC 11a_100020590264_100000749530 [1,0,0,0,0,0|2,0,0]=3 1637 B11R0.140 CCOCCC(=O)NCCSC 1626a_100020590264_100000749530 [1,0,0,0,0,0|2,0,0]=3 1638 B11R0.140 CCOCCC(=O)NCCSC 240690a_100020590264_100000749530 [1,0,0,0,0,0|2,0,0]=3 1639 B11R0.140 CCOCCC(=O)NCCSC 527a_100020590264_100000749530 [1,0,0,0,0,0|2,0,0]=3 1640 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000075515_100000757381 [1,0,0,0,0,0|3,0,0]=4 1641 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000230768_100000211468 [1,0,0,0,0,0|3,0,0]=4 1642 B11R0.140 CCSCCC(=O)CCCCF 1458a_100000230768_100000729493 [1,0,0,0,0,0|3,0,0]=4 1643 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [1,0,0,0,0,0|2,1,0]=4 1644 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [1,0,0,0,0,0|2,1,0]=4 1645 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000230768_100000740836 [1,0,0,0,0,0|1,1,0]=3 1646 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000741012_100000757381 [1,0,0,0,0,0|1,1,0]=3 1647 B11R0.140 CCSCCC(=O)CCCSC 1458a_100000173376_100000757381 [1,0,0,0,0,0|1,0,0]=2 1648 B11R0.140 CCSCCC(=O)CCSCC 1458a_100000230768_100000757381 [1,0,0,0,0,0|3,0,0]=4 1649 B11R0.140 CCSCCC(=O)NCCCF 11a_100015189416_100000230768 [1,0,0,0,0,0|3,0,0]=4 1650 B11R0.140 CCSCCC(=O)NCCCF 1626a_100015189416_100000230768 [1,0,0,0,0,0|3,0,0]=4 1651 B11R0.140 CCSCCC(=O)NCCCF 240690a_100015189416_100000230768 [1,0,0,0,0,0|3,0,0]=4 1652 B11R0.140 CCSCCC(=O)NCCCF 527a_100015189416_100000230768 [1,0,0,0,0,0|3,0,0]=4 1653 B11R0.140 CCSCCC(=O)NCCCO 240690a_100000182051_100000230768 [1,0,0,0,0,0|2,1,0]=4 1654 B11R0.140 CCSCCC(=O)NCCCO 527a_100000182051_100000230768 [1,0,0,0,0,0|2,1,0]=4 1655 B11R0.140 CCSCCC(=O)NCCOC 1626a_100000209980_100000230768 [1,0,0,0,0,0|2,1,0]=4 1656 B11R0.140 CCSCCC(=O)NCCOC 240690a_100000209980_100000230768 [1,0,0,0,0,0|2,1,0]=4 1657 B11R0.140 CCSCCC(=O)NCCOC 527a_100000209980_100000230768 [1,0,0,0,0,0|2,1,0]=4 1658 B11R0.140 CCSCCC(=O)NCCSC 11a_100020590264_100000230768 [1,0,0,0,0,0|2,0,0]=3 1659 B11R0.140 CCSCCC(=O)NCCSC 1626a_100020590264_100000230768 [1,0,0,0,0,0|2,0,0]=3 1660 B11R0.140 CCSCCC(=O)NCCSC 240690a_100020590264_100000230768 [1,0,0,0,0,0|2,0,0]=3 1661 B11R0.140 CCSCCC(=O)NCCSC 527a_100020590264_100000230768 [1,0,0,0,0,0|2,0,0]=3 1662 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000075515_100000740836 [1,0,0,0,0,0|1,1,1]=4 1663 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000741012_100000211468 [1,0,0,0,0,0|1,1,1]=4 1664 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [1,0,0,0,0,0|1,1,0]=3 1665 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [1,0,0,0,0,0|1,1,0]=3 1666 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [1,0,0,0,0,0|1,1,0]=3 1667 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [1,0,0,0,0,0|1,1,0]=3 1668 B11R0.140 COCCCC(=O)CCCSC 1458a_100000173376_100000740836 [1,0,0,0,0,0|1,0,0]=2 1669 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [1,0,0,0,0,0|2,1,0]=4 1670 B11R0.140 COCCCC(=O)NCCCF 11a_100015189416_100000741012 [1,0,0,0,0,0|2,1,0]=4 1671 B11R0.140 COCCCC(=O)NCCCF 1626a_100015189416_100000741012 [1,0,0,0,0,0|2,1,0]=4 1672 B11R0.140 COCCCC(=O)NCCCF 240690a_100015189416_100000741012 [1,0,0,0,0,0|2,1,0]=4 1673 B11R0.140 COCCCC(=O)NCCCF 527a_100015189416_100000741012 [1,0,0,0,0,0|2,1,0]=4 1674 B11R0.140 COCCCC(=O)NCCCO 240690a_100000182051_100000741012 [1,0,0,0,0,0|2,1,0]=4 1675 B11R0.140 COCCCC(=O)NCCCO 527a_100000182051_100000741012 [1,0,0,0,0,0|2,1,0]=4 1676 B11R0.140 COCCCC(=O)NCCOC 1626a_100000209980_100000741012 [1,0,0,0,0,0|2,1,0]=4 1677 B11R0.140 COCCCC(=O)NCCOC 240690a_100000209980_100000741012 [1,0,0,0,0,0|2,1,0]=4 1678 B11R0.140 COCCCC(=O)NCCOC 527a_100000209980_100000741012 [1,0,0,0,0,0|2,1,0]=4 1679 B11R0.140 COCCCC(=O)NCCSC 11a_100020590264_100000741012 [1,0,0,0,0,0|2,0,0]=3 1680 B11R0.140 COCCCC(=O)NCCSC 1626a_100020590264_100000741012 [1,0,0,0,0,0|2,0,0]=3 1681 B11R0.140 COCCCC(=O)NCCSC 240690a_100020590264_100000741012 [1,0,0,0,0,0|2,0,0]=3 1682 B11R0.140 COCCCC(=O)NCCSC 527a_100020590264_100000741012 [1,0,0,0,0,0|2,0,0]=3 1683 B11R0.140 COCCCC(C)OCCSC 34a_200011539412_100000212216 [1,0,0,0,0,0|2,0,1]=4 1684 B11R0.140 COCCCC(C)OCCSC 7a_200011539412_100000212216 [1,0,0,0,0,0|2,0,1]=4 1685 B11R0.140 COCCNC(=O)CCCCO 1626a_100000209980_100000695505 [1,0,0,0,0,0|2,1,0]=4 1686 B11R0.140 COCCNC(=O)CCCSC 1626a_100000209980_100000173376 [1,0,0,0,0,0|2,0,0]=3 1687 B11R0.140 COCCNC(=O)CCCSC 240690a_100000209980_100000173376 [1,0,0,0,0,0|2,0,0]=3 1688 B11R0.140 COCCNC(=O)CCCSC 527a_100000209980_100000173376 [1,0,0,0,0,0|2,0,0]=3 1689 B11R0.140 COCCNC(=O)CNCSC 2230a_100000754632_100011218213 [1,0,0,0,0,0|3,0,0]=4 1690 B11R0.140 COCCNC(=O)CSCSC 62a_100000183275_100011218213 [1,0,0,0,0,0|3,0,0]=4 1691 B11R0.140 COCCNC(=O)CSCSC 62a_100011218213_100000183275 [1,0,0,0,0,0|3,0,0]=4 1692 B11R0.140 COCCNC(=O)NCCSC 2708a_100020590264_100000209980 [1,0,0,0,0,0|3,0,0]=4 1693 B11R0.140 COCCNC(=O)NCCSC 273464a_100000209980_100020590264 [1,0,0,0,0,0|3,0,0]=4 1694 B11R0.140 COCCNC(=O)NCCSC 273464a_100020590264_100000209980 [1,0,0,0,0,0|3,0,0]=4 1695 B11R0.140 COCCOC(=O)CNCCF 34a_100000724931_200000040189 [1,0,0,0,0,0|2,1,0]=4 1696 B11R0.140 COCCOC(=O)CNCCO 2230a_100016997473_200000040189 [1,0,0,0,0,0|2,1,0]=4 1697 B11R0.140 COCCOC(=O)CNCCO 34a_100016990907_200000040189 [1,0,0,0,0,0|2,1,0]=4 1698 B11R0.140 COCCOC(=O)COCCBr 34a_100000211926_200000040189 [1,0,0,0,0,0|2,1,0]=4 1699 B11R0.140 COCCOC(=O)COCCN 34a_100000210304_200000040189 [1,0,0,0,0,0|2,1,0]=4 1700 B11R0.140 COCCOC(=O)CSCCF 62a_100011217306_200000040189 [1,0,0,0,0,0|2,1,0]=4 1701 B11R0.140 COCCOC(=O)CSCCF 62a_200000040189_100011217306 [1,0,0,0,0,0|2,1,0]=4 1702 B11R0.140 COCCOC(=O)CSCCO 62a_100000211926_200000040189 [1,0,0,0,0,0|2,1,0]=4 1703 B11R0.140 COCCOC(=O)CSCCO 62a_200000040189_100000211926 [1,0,0,0,0,0|2,1,0]=4 1704 B11R0.140 COCCOC(=O)CSCOC 62a_100000766300_200000040189 [1,0,0,0,0,0|2,1,0]=4 1705 B11R0.140 COCCOC(=O)CSCOC 62a_200000040189_100000766300 [1,0,0,0,0,0|2,1,0]=4 1706 B11R0.140 COCCOC(=O)CSCSC 62a_100011218213_200000040189 [1,0,0,0,0,0|2,1,0]=4 1707 B11R0.140 COCCOC(=O)CSCSC 62a_200000040189_100011218213 [1,0,0,0,0,0|2,1,0]=4 1708 B11R0.140 CSCCCC(=O)CC#CCO 1458a_100000173376_200000047223 [1,0,0,0,0,0|1,0,2]=4 1709 B11R0.140 CSCCCC(=O)CCCC#N 1458a_100000173376_100000211468 [1,0,0,0,0,0|1,0,1]=3 1710 B11R0.140 CSCCCC(=O)CCCCF 1458a_100000173376_100000729493 [1,0,0,0,0,0|1,0,0]=2 1711 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [1,0,0,0,0,0|1,0,0]=2 1712 B11R0.140 CSCCCC(=O)NCCC#N 11a_100000720768_100000173376 [1,0,0,0,0,0|2,0,1]=4 1713 B11R0.140 CSCCCC(=O)NCCC#N 1626a_100000720768_100000173376 [1,0,0,0,0,0|2,0,1]=4 1714 B11R0.140 CSCCCC(=O)NCCC#N 240690a_100000720768_100000173376 [1,0,0,0,0,0|2,0,1]=4 1715 B11R0.140 CSCCCC(=O)NCCC#N 527a_100000720768_100000173376 [1,0,0,0,0,0|2,0,1]=4 1716 B11R0.140 CSCCCC(=O)NCCCF 11a_100015189416_100000173376 [1,0,0,0,0,0|2,0,0]=3 1717 B11R0.140 CSCCCC(=O)NCCCF 1626a_100015189416_100000173376 [1,0,0,0,0,0|2,0,0]=3 1718 B11R0.140 CSCCCC(=O)NCCCF 240690a_100015189416_100000173376 [1,0,0,0,0,0|2,0,0]=3 1719 B11R0.140 CSCCCC(=O)NCCCF 527a_100015189416_100000173376 [1,0,0,0,0,0|2,0,0]=3 1720 B11R0.140 CSCCCC(=O)NCCCO 240690a_100000182051_100000173376 [1,0,0,0,0,0|2,0,0]=3 1721 B11R0.140 CSCCCC(=O)NCCCO 527a_100000182051_100000173376 [1,0,0,0,0,0|2,0,0]=3 1722 B11R0.140 CSCCCC(=O)NCCSC 11a_100020590264_100000173376 [1,0,0,0,0,0|2,0,0]=3 1723 B11R0.140 CSCCCC(=O)NCCSC 1626a_100020590264_100000173376 [1,0,0,0,0,0|2,0,0]=3 1724 B11R0.140 CSCCCC(=O)NCCSC 240690a_100020590264_100000173376 [1,0,0,0,0,0|2,0,0]=3 1725 B11R0.140 CSCCCC(=O)NCCSC 527a_100020590264_100000173376 [1,0,0,0,0,0|2,0,0]=3 1726 B11R0.140 CSCCCC(=O)NNCCO 22a_100000210001_100000173376 [1,0,0,0,0,0|3,0,0]=4 1727 B11R0.140 CSCCNC(=O)CCCC#N 11a_100020590264_100000075515 [1,0,0,0,0,0|2,0,1]=4 1728 B11R0.140 CSCCNC(=O)CCCC#N 1626a_100020590264_100000075515 [1,0,0,0,0,0|2,0,1]=4 1729 B11R0.140 CSCCNC(=O)CCCC#N 240690a_100020590264_100000075515 [1,0,0,0,0,0|2,0,1]=4 1730 B11R0.140 CSCCNC(=O)CCCC#N 527a_100020590264_100000075515 [1,0,0,0,0,0|2,0,1]=4 1731 B11R0.140 CSCCNC(=O)CCCCO 1626a_100020590264_100000695505 [1,0,0,0,0,0|2,0,0]=3 1732 B11R0.140 CSCCNC(=O)COCCO 1626a_100020590264_100000708028 [1,0,0,0,0,0|3,0,0]=4 1733 B11R0.140 CSCCNC(=O)COCCO 240690a_100020590264_100000708028 [1,0,0,0,0,0|3,0,0]=4 1734 B11R0.140 CSCCNC(=O)NCCCF 2708a_100015189416_100020590264 [1,0,0,0,0,0|3,0,0]=4 1735 B11R0.140 CSCCNC(=O)NCCCF 2708a_100020590264_100015189416 [1,0,0,0,0,0|3,0,0]=4 1736 B11R0.140 CSCCNC(=O)NCCCF 273464a_100015189416_100020590264 [1,0,0,0,0,0|3,0,0]=4 1737 B11R0.140 CSCCNC(=O)NCCCF 273464a_100020590264_100015189416 [1,0,0,0,0,0|3,0,0]=4 1738 B11R0.140 CSCCNC(=O)NCCCF 512a_100015189416_100020590264 [1,0,0,0,0,0|3,0,0]=4 1739 B11R0.140 CSCCNC(=O)NCCCF 512a_100020590264_100015189416 [1,0,0,0,0,0|3,0,0]=4 1740 B11R0.140 CSCCNC(=O)NCCCO 2708a_100020590264_100000182051 [1,0,0,0,0,0|3,0,0]=4 1741 B11R0.140 CSCCNC(=O)NCCCO 273464a_100000182051_100020590264 [1,0,0,0,0,0|3,0,0]=4 1742 B11R0.140 CSCCNC(=O)NCCCO 273464a_100020590264_100000182051 [1,0,0,0,0,0|3,0,0]=4 1743 B11R0.140 CSCCNC(=O)NCCCO 512a_100020590264_100000182051 [1,0,0,0,0,0|3,0,0]=4 1744 B11R0.140 CSCCNC(=O)NCCSC 2708a_100020590264_100020590264 [1,0,0,0,0,0|3,0,0]=4 1745 B11R0.140 CSCCNC(=O)NCCSC 273464a_100020590264_100020590264 [1,0,0,0,0,0|3,0,0]=4 1746 B11R0.140 CSCCNC(=O)NCCSC 512a_100020590264_100020590264 [1,0,0,0,0,0|3,0,0]=4 1747 B11R0.140 N#CCCCC(=O)CCCCF 1458a_100000075515_100000729493 [1,0,0,0,0,0|3,0,0]=4 1748 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000075515_100000210776 [1,0,0,0,0,0|3,0,0]=4 1749 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000695505_100000211468 [1,0,0,0,0,0|3,0,0]=4 1750 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [1,0,0,0,0,0|2,1,0]=4 1751 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [1,0,0,0,0,0|2,1,0]=4 1752 B11R0.140 O=C(CCCCO)NCCCF 1626a_100015189416_100000695505 [1,0,0,0,0,0|3,0,0]=4 1753 B13R0.1 C#CCCCCC(=O)CCCC(C)C 1458a_100000696528_100011214892 [0,1,0,0,0,0|2,0,1]=4 1754 B13R0.1 C#CCCCCC(=O)CCCC(C)C 1458a_100011216857_100010269958 [0,1,0,0,0,0|2,0,1]=4 1755 B13R0.1 C#CCCCCC(=O)CCCC(C)O 1458a_100000696528_200000718107 [0,1,0,0,0,0|2,0,1]=4 1756 B13R0.1 C#CCCCNC(=O)CCCC(C)C 11a_100000718082_100011216857 [0,1,0,0,0,0|2,0,1]=4 1757 B13R0.1 C#CCCCNC(=O)CCCC(C)C 1626a_100000718082_100011216857 [0,1,0,0,0,0|2,0,1]=4 1758 B13R0.1 C#CCCCNC(=O)CCCC(C)C 240690a_100000718082_100011216857 [0,1,0,0,0,0|2,0,1]=4 1759 B13R0.1 C#CCCCNC(=O)CCCC(C)C 527a_100000718082_100011216857 [0,1,0,0,0,0|2,0,1]=4 1760 B13R0.1 C#CCCCNC(=O)CCCC(C)O 1626a_100000718082_100000761597 [0,1,0,0,0,0|2,0,1]=4 1761 B13R0.1 C#CCCCNC(=O)CCCC(C)O 527a_100000718082_100000761597 [0,1,0,0,0,0|2,0,1]=4 1762 B13R0.1 C=CCCCCC(=O)CCCC(C)C 1458a_100011215552_100011214892 [0,1,0,0,0,0|2,0,1]=4 1763 B13R0.1 C=CCCCCC(=O)CCCC(C)C 1458a_100011216857_100011215482 [0,1,0,0,0,0|2,0,1]=4 1764 B13R0.1 C=CCCCCC(=O)CCCC(C)O 1458a_100011215552_200000718107 [0,1,0,0,0,0|2,0,1]=4 1765 B13R0.1 C=CCCCNC(=O)CCCC(C)C 11a_100000700776_100011216857 [0,1,0,0,0,0|2,0,1]=4 1766 B13R0.1 C=CCCCNC(=O)CCCC(C)C 1626a_100000700776_100011216857 [0,1,0,0,0,0|2,0,1]=4 1767 B13R0.1 C=CCCCNC(=O)CCCC(C)C 240690a_100000700776_100011216857 [0,1,0,0,0,0|2,0,1]=4 1768 B13R0.1 C=CCCCNC(=O)CCCC(C)C 527a_100000700776_100011216857 [0,1,0,0,0,0|2,0,1]=4 1769 B13R0.1 C=CCCCNC(=O)CCCC(C)O 1626a_100000700776_100000761597 [0,1,0,0,0,0|2,0,1]=4 1770 B13R0.1 C=CCCCNC(=O)CCCC(C)O 527a_100000700776_100000761597 [0,1,0,0,0,0|2,0,1]=4 1771 B13R0.1 CC(C)CCCC(=O)CCCCC#N 1458a_100011216857_100000211819 [0,1,0,0,0,0|3,0,0]=4 1772 B13R0.1 CC(C)CCCC(=O)CCCCCF 1458a_100011216857_100000729378 [0,1,0,0,0,0|3,0,0]=4 1773 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100011216857_100000746330 [0,1,0,0,0,0|3,0,0]=4 1774 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100102619762_100011214892 [0,1,0,0,0,0|3,0,0]=4 1775 B13R0.1 CC(C)CCCC(=O)NCCCCO 240690a_100000750430_100011216857 [0,1,0,0,0,0|3,0,0]=4 1776 B13R0.1 CC(C)CCCC(=O)NCCCCO 527a_100000750430_100011216857 [0,1,0,0,0,0|3,0,0]=4 1777 B13R0.1 CC(O)CCCC(=O)CCCCCO 1458a_100102619762_200000718107 [0,1,0,0,0,0|3,0,0]=4 1778 B13R0.1 CC(O)CCCC(=O)NCCCCO 527a_100000750430_100000761597 [0,1,0,0,0,0|3,0,0]=4 1779 B13R0.1 CCCCC=CC(=O)CCCC(C)C 1458a_100016266645_100011214892 [0,1,0,0,0,0|2,0,1]=4 1780 B13R0.1 CCCCC=CC(=O)CCCC(C)O 1458a_100016266645_200000718107 [0,1,0,0,0,0|2,0,1]=4 1781 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,1,0,0,0,0|2,0,1]=4 1782 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210757 [0,1,0,0,0,0|2,0,0]=3 1783 B13R0.1 CCCCCCC(=O)CCCC(C)C 1458a_100102632555_100011214892 [0,1,0,0,0,0|2,0,0]=3 1784 B13R0.1 CCCCCCC(=O)CCCC(C)O 1458a_100102632555_200000718107 [0,1,0,0,0,0|2,0,0]=3 1785 B13R0.1 CCCCCCC(=O)CCCN(C)C 1458a_100102632555_100000695564 [0,1,0,0,0,0|3,0,0]=4 1786 B13R0.1 CCCCCCC(=O)CCOC(C)C 1458a_100102632555_100000211751 [0,1,0,0,0,0|3,0,0]=4 1787 B13R0.1 CCCCCCC(=O)CCSC(C)C 1458a_100102632555_100000730970 [0,1,0,0,0,0|3,0,0]=4 1788 B13R0.1 CCCCCCC(=O)COCC(C)C 1458a_100011223364_100000210757 [0,1,0,0,0,0|3,0,0]=4 1789 B13R0.1 CCCCCCC(=O)NCCC(C)C 11a_100000210545_100102632555 [0,1,0,0,0,0|3,0,0]=4 1790 B13R0.1 CCCCCCC(=O)NCCC(C)C 1626a_100000210545_100102632555 [0,1,0,0,0,0|3,0,0]=4 1791 B13R0.1 CCCCCCC(=O)NCCC(C)C 240690a_100000210545_100102632555 [0,1,0,0,0,0|3,0,0]=4 1792 B13R0.1 CCCCCCC(=O)NCCC(C)C 527a_100000210545_100102632555 [0,1,0,0,0,0|3,0,0]=4 1793 B13R0.1 CCCCCCC(=O)NCCC(C)O 240690a_200000755665_100102632555 [0,1,0,0,0,0|3,0,0]=4 1794 B13R0.1 CCCCCCC(=O)NCCC(C)O 527a_200000755665_100102632555 [0,1,0,0,0,0|3,0,0]=4 1795 B13R0.1 CCCCCNC(=O)CCCC(C)C 11a_100000209983_100011216857 [0,1,0,0,0,0|2,0,0]=3 1796 B13R0.1 CCCCCNC(=O)CCCC(C)C 1626a_100000209983_100011216857 [0,1,0,0,0,0|2,0,0]=3 1797 B13R0.1 CCCCCNC(=O)CCCC(C)C 240690a_100000209983_100011216857 [0,1,0,0,0,0|2,0,0]=3 1798 B13R0.1 CCCCCNC(=O)CCCC(C)C 527a_100000209983_100011216857 [0,1,0,0,0,0|2,0,0]=3 1799 B13R0.1 CCCCCNC(=O)CCCC(C)O 1626a_100000209983_100000761597 [0,1,0,0,0,0|2,0,0]=3 1800 B13R0.1 CCCCCNC(=O)CCCC(C)O 527a_100000209983_100000761597 [0,1,0,0,0,0|2,0,0]=3 1801 B13R0.1 CCCCCNC(=O)CCCN(C)C 11a_100000209983_100000740757 [0,1,0,0,0,0|3,0,0]=4 1802 B13R0.1 CCCCCNC(=O)CCCN(C)C 240690a_100000209983_100000740757 [0,1,0,0,0,0|3,0,0]=4 1803 B13R0.1 CCCCCNC(=O)CNCC(C)C 2230a_100000210953_100000230301 [0,1,0,0,0,0|3,0,0]=4 1804 B13R0.1 CCCCCNC(=O)CNCC(C)C 34a_100000210953_100000230301 [0,1,0,0,0,0|3,0,0]=4 1805 B13R0.1 CCCCCNC(=O)CNCC(C)O 2230a_100000210904_100000230301 [0,1,0,0,0,0|3,0,0]=4 1806 B13R0.1 CCCCCNC(=O)CNCC(C)O 34a_100000210904_100000230301 [0,1,0,0,0,0|3,0,0]=4 1807 B13R0.1 CCCCCNC(=O)COCC(C)Br 34a_100012180447_100000230301 [0,1,0,0,0,0|3,0,0]=4 1808 B13R0.1 CCCCCNC(=O)COCC(C)C 11a_100000209983_100011223364 [0,1,0,0,0,0|3,0,0]=4 1809 B13R0.1 CCCCCNC(=O)COCC(C)C 1626a_100000209983_100011223364 [0,1,0,0,0,0|3,0,0]=4 1810 B13R0.1 CCCCCNC(=O)COCC(C)C 240690a_100000209983_100011223364 [0,1,0,0,0,0|3,0,0]=4 1811 B13R0.1 CCCCCNC(=O)COCC(C)C 34a_100000210257_100000230301 [0,1,0,0,0,0|3,0,0]=4 1812 B13R0.1 CCCCCNC(=O)COCC(C)C 527a_100000209983_100011223364 [0,1,0,0,0,0|3,0,0]=4 1813 B13R0.1 CCCCCNC(=O)COCC(C)F 34a_100015925927_100000230301 [0,1,0,0,0,0|3,0,0]=4 1814 B13R0.1 CCCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000230301 [0,1,0,0,0,0|3,0,0]=4 1815 B13R0.1 CCCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000230301 [0,1,0,0,0,0|3,0,0]=4 1816 B13R0.1 CCCCCNC(=O)CSCC(C)C 62a_100000210624_100000230301 [0,1,0,0,0,0|3,0,0]=4 1817 B13R0.1 CCCCCNC(=O)CSCC(C)C 62a_100000230301_100000210760 [0,1,0,0,0,0|3,0,0]=4 1818 B13R0.1 CCCCCNC(=O)CSCC(C)O 62a_100000230301_100011218427 [0,1,0,0,0,0|3,0,0]=4 1819 B13R0.1 CCCCCNC(=O)CSCC(C)O 62a_100011218427_100000230301 [0,1,0,0,0,0|3,0,0]=4 1820 B13R0.1 CCCCCNC(=O)CSC[C@@H](C)O 62a_100000230301_100009817552 [0,1,0,0,0,0|3,0,0]=4 1821 B13R0.1 CCCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000230301 [0,1,0,0,0,0|3,0,0]=4 1822 B13R0.1 CCCCCNC(=O)NCCC(C)C 2708a_100000209983_100000210545 [0,1,0,0,0,0|3,0,0]=4 1823 B13R0.1 CCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000209983 [0,1,0,0,0,0|3,0,0]=4 1824 B13R0.1 CCCCCNC(=O)NCCC(C)C 273464a_100000209983_100000210545 [0,1,0,0,0,0|3,0,0]=4 1825 B13R0.1 CCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000209983 [0,1,0,0,0,0|3,0,0]=4 1826 B13R0.1 CCCCCNC(=O)NCCC(C)C 512a_100000209983_100000210545 [0,1,0,0,0,0|3,0,0]=4 1827 B13R0.1 CCCCCNC(=O)NCCC(C)C 512a_100000210545_100000209983 [0,1,0,0,0,0|3,0,0]=4 1828 B13R0.1 CCCCCNC(=O)NCCC(C)O 2708a_100000209983_200000755665 [0,1,0,0,0,0|3,0,0]=4 1829 B13R0.1 CCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000209983 [0,1,0,0,0,0|3,0,0]=4 1830 B13R0.1 CCCCCNC(=O)NCCC(C)O 512a_100000209983_200000755665 [0,1,0,0,0,0|3,0,0]=4 1831 B13R0.1 CCCCCNC(=O)NCCC(C)O 512a_200000755665_100000209983 [0,1,0,0,0,0|3,0,0]=4 1832 B13R0.1 CCCCCOC(C)CCCC(C)C 34a_200011218570_100000718602 [0,1,0,0,0,0|2,0,1]=4 1833 B13R0.1 CCCCCOC(C)CCCC(C)C 7a_200011218570_100000210326 [0,1,0,0,0,0|2,0,1]=4 1834 B13R0.1 CCCCNNC(=O)CCCC(C)C 22a_100025702795_100011216857 [0,1,0,0,0,0|3,0,0]=4 1835 B13R0.1 CCCCNNC(=O)CCCC(C)O 22a_100025702795_100000761597 [0,1,0,0,0,0|3,0,0]=4 1836 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100000757543_100011214892 [0,1,0,0,0,0|3,0,0]=4 1837 B13R0.1 CCCCOCC(=O)CCCC(C)C 1458a_100011216857_100011995733 [0,1,0,0,0,0|3,0,0]=4 1838 B13R0.1 CCCCOCC(=O)CCCC(C)O 1458a_100000757543_200000718107 [0,1,0,0,0,0|3,0,0]=4 1839 B13R0.1 CCCCSCC(=O)CCCC(C)C 1458a_100000191162_100011214892 [0,1,0,0,0,0|3,0,0]=4 1840 B13R0.1 CCCCSCC(=O)CCCC(C)O 1458a_100000191162_200000718107 [0,1,0,0,0,0|3,0,0]=4 1841 B13R0.1 CCCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215938 [0,1,0,0,0,0|3,0,0]=4 1842 B13R0.1 CCOCCCC(=O)CCCC(C)C 1458a_100011216857_100012232248 [0,1,0,0,0,0|3,0,0]=4 1843 B13R0.1 CCOCCNC(=O)CCCC(C)C 11a_100011200944_100011216857 [0,1,0,0,0,0|3,0,0]=4 1844 B13R0.1 CCOCCNC(=O)CCCC(C)C 1626a_102516460346_100011216857 [0,1,0,0,0,0|3,0,0]=4 1845 B13R0.1 CCOCCNC(=O)CCCC(C)C 240690a_100011200944_100011216857 [0,1,0,0,0,0|3,0,0]=4 1846 B13R0.1 CCOCCNC(=O)CCCC(C)C 527a_100011200944_100011216857 [0,1,0,0,0,0|3,0,0]=4 1847 B13R0.1 CCOCCNC(=O)CCCC(C)O 1626a_102516460346_100000761597 [0,1,0,0,0,0|3,0,0]=4 1848 B13R0.1 CCOCCNC(=O)CCCC(C)O 527a_100011200944_100000761597 [0,1,0,0,0,0|3,0,0]=4 1849 B13R0.1 CCOCCOC(=O)CNCC(C)C 2230a_100000210953_200000101388 [0,1,0,0,0,0|3,0,0]=4 1850 B13R0.1 CCOCCOC(=O)CNCC(C)C 34a_100000210953_200000101388 [0,1,0,0,0,0|3,0,0]=4 1851 B13R0.1 CCOCCOC(=O)CNCC(C)O 2230a_100000210904_200000101388 [0,1,0,0,0,0|3,0,0]=4 1852 B13R0.1 CCOCCOC(=O)CNCC(C)O 34a_100000210904_200000101388 [0,1,0,0,0,0|3,0,0]=4 1853 B13R0.1 CCOCCOC(=O)COCC(C)Br 34a_100012180447_200000101388 [0,1,0,0,0,0|3,0,0]=4 1854 B13R0.1 CCOCCOC(=O)COCC(C)C 34a_100000210257_200000101388 [0,1,0,0,0,0|3,0,0]=4 1855 B13R0.1 CCOCCOC(=O)COCC(C)F 34a_100015925927_200000101388 [0,1,0,0,0,0|3,0,0]=4 1856 B13R0.1 CCOCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200000101388 [0,1,0,0,0,0|3,0,0]=4 1857 B13R0.1 CCOCCOC(=O)COC[C@@H](C)N 34a_100000737577_200000101388 [0,1,0,0,0,0|3,0,0]=4 1858 B13R0.1 CCOCCOC(=O)CSCC(C)C 62a_100000210624_200000101388 [0,1,0,0,0,0|3,0,0]=4 1859 B13R0.1 CCOCCOC(=O)CSCC(C)C 62a_200000101388_100000210760 [0,1,0,0,0,0|3,0,0]=4 1860 B13R0.1 CCOCCOC(=O)CSCC(C)O 62a_100011218427_200000101388 [0,1,0,0,0,0|3,0,0]=4 1861 B13R0.1 CCOCCOC(=O)CSCC(C)O 62a_200000101388_100011218427 [0,1,0,0,0,0|3,0,0]=4 1862 B13R0.1 CCOCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200000101388 [0,1,0,0,0,0|3,0,0]=4 1863 B13R0.1 CCOCCOC(=O)CSC[C@@H](C)O 62a_200000101388_100009817552 [0,1,0,0,0,0|3,0,0]=4 1864 B13R0.1 CCSCCNC(=O)CCCC(C)C 11a_100000106463_100011216857 [0,1,0,0,0,0|3,0,0]=4 1865 B13R0.1 CCSCCNC(=O)CCCC(C)C 1626a_100000106463_100011216857 [0,1,0,0,0,0|3,0,0]=4 1866 B13R0.1 CCSCCNC(=O)CCCC(C)C 240690a_100000106463_100011216857 [0,1,0,0,0,0|3,0,0]=4 1867 B13R0.1 CCSCCNC(=O)CCCC(C)C 527a_100000106463_100011216857 [0,1,0,0,0,0|3,0,0]=4 1868 B13R0.1 CCSCCNC(=O)CCCC(C)O 1626a_100000106463_100000761597 [0,1,0,0,0,0|3,0,0]=4 1869 B13R0.1 CCSCCNC(=O)CCCC(C)O 527a_100000106463_100000761597 [0,1,0,0,0,0|3,0,0]=4 1870 B13R0.1 COCCCCC(=O)CCCC(C)C 1458a_100011216857_100000755781 [0,1,0,0,0,0|1,1,0]=3 1871 B13R0.1 COCCCCC(=O)COCC(C)C 1458a_100011223364_100000755781 [0,1,0,0,0,0|2,1,0]=4 1872 B13R0.1 COCCCNC(=O)CCCC(C)C 1626a_100150723488_100011216857 [0,1,0,0,0,0|1,1,0]=3 1873 B13R0.1 COCCCNC(=O)CCCC(C)C 240690a_100150723488_100011216857 [0,1,0,0,0,0|1,1,0]=3 1874 B13R0.1 COCCCNC(=O)CCCC(C)C 527a_100150723488_100011216857 [0,1,0,0,0,0|1,1,0]=3 1875 B13R0.1 COCCCNC(=O)CCCC(C)O 1626a_100150723488_100000761597 [0,1,0,0,0,0|1,1,0]=3 1876 B13R0.1 COCCCNC(=O)CCCC(C)O 527a_100150723488_100000761597 [0,1,0,0,0,0|1,1,0]=3 1877 B13R0.1 COCCCNC(=O)CCCN(C)C 240690a_100150723488_100000740757 [0,1,0,0,0,0|2,1,0]=4 1878 B13R0.1 COCCCNC(=O)CNCC(C)C 2230a_100000210953_100000183178 [0,1,0,0,0,0|2,1,0]=4 1879 B13R0.1 COCCCNC(=O)CNCC(C)C 34a_100000210953_100000183178 [0,1,0,0,0,0|2,1,0]=4 1880 B13R0.1 COCCCNC(=O)CNCC(C)O 2230a_100000210904_100000183178 [0,1,0,0,0,0|2,1,0]=4 1881 B13R0.1 COCCCNC(=O)CNCC(C)O 34a_100000210904_100000183178 [0,1,0,0,0,0|2,1,0]=4 1882 B13R0.1 COCCCNC(=O)COCC(C)Br 34a_100012180447_100000183178 [0,1,0,0,0,0|2,1,0]=4 1883 B13R0.1 COCCCNC(=O)COCC(C)C 1626a_100150723488_100011223364 [0,1,0,0,0,0|2,1,0]=4 1884 B13R0.1 COCCCNC(=O)COCC(C)C 240690a_100150723488_100011223364 [0,1,0,0,0,0|2,1,0]=4 1885 B13R0.1 COCCCNC(=O)COCC(C)C 34a_100000210257_100000183178 [0,1,0,0,0,0|2,1,0]=4 1886 B13R0.1 COCCCNC(=O)COCC(C)C 527a_100150723488_100011223364 [0,1,0,0,0,0|2,1,0]=4 1887 B13R0.1 COCCCNC(=O)COCC(C)F 34a_100015925927_100000183178 [0,1,0,0,0,0|2,1,0]=4 1888 B13R0.1 COCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183178 [0,1,0,0,0,0|2,1,0]=4 1889 B13R0.1 COCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183178 [0,1,0,0,0,0|2,1,0]=4 1890 B13R0.1 COCCCNC(=O)CSCC(C)C 62a_100000183178_100000210760 [0,1,0,0,0,0|2,1,0]=4 1891 B13R0.1 COCCCNC(=O)CSCC(C)O 62a_100000183178_100011218427 [0,1,0,0,0,0|2,1,0]=4 1892 B13R0.1 COCCCNC(=O)CSC[C@@H](C)O 62a_100000183178_100009817552 [0,1,0,0,0,0|2,1,0]=4 1893 B13R0.1 COCCCNC(=O)NCCC(C)C 2708a_100000210545_100150723488 [0,1,0,0,0,0|2,1,0]=4 1894 B13R0.1 COCCCNC(=O)NCCC(C)C 2708a_100150723488_100000210545 [0,1,0,0,0,0|2,1,0]=4 1895 B13R0.1 COCCCNC(=O)NCCC(C)C 273464a_100000210545_100150723488 [0,1,0,0,0,0|2,1,0]=4 1896 B13R0.1 COCCCNC(=O)NCCC(C)C 273464a_100150723488_100000210545 [0,1,0,0,0,0|2,1,0]=4 1897 B13R0.1 COCCCNC(=O)NCCC(C)C 512a_100000210545_100150723488 [0,1,0,0,0,0|2,1,0]=4 1898 B13R0.1 COCCCNC(=O)NCCC(C)O 2708a_100150723488_200000755665 [0,1,0,0,0,0|2,1,0]=4 1899 B13R0.1 COCCCNC(=O)NCCC(C)O 273464a_200000755665_100150723488 [0,1,0,0,0,0|2,1,0]=4 1900 B13R0.1 COCCCNC(=O)NCCC(C)O 512a_200000755665_100150723488 [0,1,0,0,0,0|2,1,0]=4 1901 B13R0.1 COCCCOC(C)CCCC(C)C 34a_200011218570_100000740836 [0,1,0,0,0,0|1,1,1]=4 1902 B13R0.1 COCCCOC(C)CCCC(C)C 7a_200011218570_100000740836 [0,1,0,0,0,0|1,1,1]=4 1903 B13R0.1 COCCNNC(=O)CCCC(C)C 22a_100000741390_100011216857 [0,1,0,0,0,0|2,1,0]=4 1904 B13R0.1 COCCNNC(=O)CCCC(C)O 22a_100000741390_100000761597 [0,1,0,0,0,0|2,1,0]=4 1905 B13R0.1 COCCOCC(=O)CCCC(C)C 1458a_100000211095_100011214892 [0,1,0,0,0,0|2,1,0]=4 1906 B13R0.1 COCCOCC(=O)CCCC(C)O 1458a_100000211095_200000718107 [0,1,0,0,0,0|2,1,0]=4 1907 B13R0.1 CSCCCNC(=O)C/C=C/C(C)C 11a_100000749238_100016292215 [0,1,0,0,0,0|1,0,2]=4 1908 B13R0.1 CSCCCNC(=O)C/C=C/C(C)C 1626a_100000749238_100016292215 [0,1,0,0,0,0|1,0,2]=4 1909 B13R0.1 CSCCCNC(=O)C/C=C/C(C)C 240690a_100000749238_100016292215 [0,1,0,0,0,0|1,0,2]=4 1910 B13R0.1 CSCCCNC(=O)CCCC(C)C 11a_100000749238_100011216857 [0,1,0,0,0,0|1,0,0]=2 1911 B13R0.1 CSCCCNC(=O)CCCC(C)C 1626a_100000749238_100011216857 [0,1,0,0,0,0|1,0,0]=2 1912 B13R0.1 CSCCCNC(=O)CCCC(C)C 240690a_100000749238_100011216857 [0,1,0,0,0,0|1,0,0]=2 1913 B13R0.1 CSCCCNC(=O)CCCC(C)C 527a_100000749238_100011216857 [0,1,0,0,0,0|1,0,0]=2 1914 B13R0.1 CSCCCNC(=O)CCCC(C)O 1626a_100000749238_100000761597 [0,1,0,0,0,0|1,0,0]=2 1915 B13R0.1 CSCCCNC(=O)CCCC(C)O 527a_100000749238_100000761597 [0,1,0,0,0,0|1,0,0]=2 1916 B13R0.1 CSCCCNC(=O)CCCN(C)C 11a_100000749238_100000740757 [0,1,0,0,0,0|2,0,0]=3 1917 B13R0.1 CSCCCNC(=O)CCCN(C)C 240690a_100000749238_100000740757 [0,1,0,0,0,0|2,0,0]=3 1918 B13R0.1 CSCCCNC(=O)CCC[N+](=O)[O-] 11a_100000749238_100016109205 [0,1,0,0,0,0|3,0,0]=4 1919 B13R0.1 CSCCCNC(=O)CCC[N+](=O)[O-] 1626a_100000749238_100016109205 [0,1,0,0,0,0|3,0,0]=4 1920 B13R0.1 CSCCCNC(=O)CCC[N+](=O)[O-] 240690a_100000749238_100016109205 [0,1,0,0,0,0|3,0,0]=4 1921 B13R0.1 CSCCCNC(=O)CCC[N+](=O)[O-] 527a_100000749238_100016109205 [0,1,0,0,0,0|3,0,0]=4 1922 B13R0.1 CSCCCNC(=O)CCNC(=O)C 11a_100000749238_100000183196 [0,1,0,0,0,0|2,0,1]=4 1923 B13R0.1 CSCCCNC(=O)CCNC(=O)C 1626a_100000749238_100000183196 [0,1,0,0,0,0|2,0,1]=4 1924 B13R0.1 CSCCCNC(=O)CCNC(=O)C 240690a_100000749238_100000183196 [0,1,0,0,0,0|2,0,1]=4 1925 B13R0.1 CSCCCNC(=O)CCNC(=O)C 527a_100000749238_100000183196 [0,1,0,0,0,0|2,0,1]=4 1926 B13R0.1 CSCCCNC(=O)CCSC(=O)C 1626a_100000749238_100000048949 [0,1,0,0,0,0|2,0,1]=4 1927 B13R0.1 CSCCCNC(=O)CCSC(=O)C 240690a_100000749238_100000048949 [0,1,0,0,0,0|2,0,1]=4 1928 B13R0.1 CSCCCNC(=O)COCC(C)C 11a_100000749238_100011223364 [0,1,0,0,0,0|2,0,0]=3 1929 B13R0.1 CSCCCNC(=O)COCC(C)C 1626a_100000749238_100011223364 [0,1,0,0,0,0|2,0,0]=3 1930 B13R0.1 CSCCCNC(=O)COCC(C)C 240690a_100000749238_100011223364 [0,1,0,0,0,0|2,0,0]=3 1931 B13R0.1 CSCCCNC(=O)COCC(C)C 527a_100000749238_100011223364 [0,1,0,0,0,0|2,0,0]=3 1932 B13R0.1 CSCCCNC(=O)NCCC(C)C 2708a_100000210545_100000749238 [0,1,0,0,0,0|2,0,0]=3 1933 B13R0.1 CSCCCNC(=O)NCCC(C)C 2708a_100000749238_100000210545 [0,1,0,0,0,0|2,0,0]=3 1934 B13R0.1 CSCCCNC(=O)NCCC(C)C 273464a_100000210545_100000749238 [0,1,0,0,0,0|2,0,0]=3 1935 B13R0.1 CSCCCNC(=O)NCCC(C)C 273464a_100000749238_100000210545 [0,1,0,0,0,0|2,0,0]=3 1936 B13R0.1 CSCCCNC(=O)NCCC(C)C 512a_100000210545_100000749238 [0,1,0,0,0,0|2,0,0]=3 1937 B13R0.1 CSCCCNC(=O)NCCC(C)C 512a_100000749238_100000210545 [0,1,0,0,0,0|2,0,0]=3 1938 B13R0.1 CSCCCNC(=O)NCCC(C)O 2708a_100000749238_200000755665 [0,1,0,0,0,0|2,0,0]=3 1939 B13R0.1 CSCCCNC(=O)NCCC(C)O 273464a_200000755665_100000749238 [0,1,0,0,0,0|2,0,0]=3 1940 B13R0.1 CSCCCNC(=O)NCCC(C)O 512a_100000749238_200000755665 [0,1,0,0,0,0|2,0,0]=3 1941 B13R0.1 CSCCCNC(=O)NCCC(C)O 512a_200000755665_100000749238 [0,1,0,0,0,0|2,0,0]=3 1942 B13R0.1 CSCCCNC(=O)NCCN(C)C 2708a_100000749238_100000210585 [0,1,0,0,0,0|3,0,0]=4 1943 B13R0.1 CSCCCNC(=O)NCCN(C)C 273464a_100000210585_100000749238 [0,1,0,0,0,0|3,0,0]=4 1944 B13R0.1 CSCCCNC(=O)NCCN(C)C 273464a_100000749238_100000210585 [0,1,0,0,0,0|3,0,0]=4 1945 B13R0.1 CSCCCNC(=O)NCCN(C)C 512a_100000749238_100000210585 [0,1,0,0,0,0|3,0,0]=4 1946 B13R0.1 CSCCCNC(=O)NNCC(C)C 273464a_100000749238_100000696102 [0,1,0,0,0,0|3,0,0]=4 1947 B13R0.1 CSCCCNC(=O)NNCC(C)C 512a_100000696102_100000749238 [0,1,0,0,0,0|3,0,0]=4 1948 B13R0.1 CSCCCNC(=O)NNCC(C)C 512a_100000749238_100000696102 [0,1,0,0,0,0|3,0,0]=4 1949 B13R0.1 CSCCCNC(=O)NNCC(C)O 512a_100000749238_200000730056 [0,1,0,0,0,0|3,0,0]=4 1950 B13R0.1 CSCCCNC(=O)NNCC(C)O 512a_200000730056_100000749238 [0,1,0,0,0,0|3,0,0]=4 1951 B13R0.1 CSCCCNC(C)CCCC(C)C 270004a_100000749238_100000753411 [0,1,0,0,0,0|2,0,1]=4 1952 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100000696528_100000210757 [0,1,0,0,0,0|2,0,1]=4 1953 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100102632555_100010269958 [0,1,0,0,0,0|2,0,1]=4 1954 B13R0.165 C#CCCCCC(=O)CCCCCF 1458a_100000696528_100000729378 [0,1,0,0,0,0|2,0,1]=4 1955 B13R0.165 C#CCCCCC(=O)CCCCCO 1458a_100000696528_100000746330 [0,1,0,0,0,0|2,0,1]=4 1956 B13R0.165 C#CCCCCC(=O)CCCCCO 1458a_100102619762_100010269958 [0,1,0,0,0,0|2,0,1]=4 1957 B13R0.165 C#CCCCCC(=O)CCCCOC 1458a_100000696528_100000755781 [0,1,0,0,0,0|1,1,1]=4 1958 B13R0.165 C#CCCCCC(=O)CCCOCC 1458a_100000696528_100012232248 [0,1,0,0,0,0|2,0,1]=4 1959 B13R0.165 C#CCCCCC(=O)CCOCCC 1458a_100000696528_100011215938 [0,1,0,0,0,0|2,0,1]=4 1960 B13R0.165 C#CCCCCC(=O)COCCCC 1458a_100000696528_100011995733 [0,1,0,0,0,0|2,0,1]=4 1961 B13R0.165 C#CCCCCC(=O)COCCCC 1458a_100000757543_100010269958 [0,1,0,0,0,0|2,0,1]=4 1962 B13R0.165 C#CCCCCC(=O)CSCCCC 1458a_100000191162_100010269958 [0,1,0,0,0,0|2,0,1]=4 1963 B13R0.165 C#CCCCCC(=O)NCCCCC 11a_100000209983_100000696528 [0,1,0,0,0,0|2,0,1]=4 1964 B13R0.165 C#CCCCCC(=O)NCCCCC 1626a_100000209983_100000696528 [0,1,0,0,0,0|2,0,1]=4 1965 B13R0.165 C#CCCCCC(=O)NCCCCC 240690a_100000209983_100000696528 [0,1,0,0,0,0|2,0,1]=4 1966 B13R0.165 C#CCCCCC(=O)NCCCCC 527a_100000209983_100000696528 [0,1,0,0,0,0|2,0,1]=4 1967 B13R0.165 C#CCCCCC(=O)NCCCOC 1626a_100150723488_100000696528 [0,1,0,0,0,0|1,1,1]=4 1968 B13R0.165 C#CCCCCC(=O)NCCCOC 240690a_100150723488_100000696528 [0,1,0,0,0,0|1,1,1]=4 1969 B13R0.165 C#CCCCCC(=O)NCCCOC 527a_100150723488_100000696528 [0,1,0,0,0,0|1,1,1]=4 1970 B13R0.165 C#CCCCCC(=O)NCCCSC 11a_100000749238_100000696528 [0,1,0,0,0,0|1,0,1]=3 1971 B13R0.165 C#CCCCCC(=O)NCCCSC 1626a_100000749238_100000696528 [0,1,0,0,0,0|1,0,1]=3 1972 B13R0.165 C#CCCCCC(=O)NCCCSC 240690a_100000749238_100000696528 [0,1,0,0,0,0|1,0,1]=3 1973 B13R0.165 C#CCCCCC(=O)NCCCSC 527a_100000749238_100000696528 [0,1,0,0,0,0|1,0,1]=3 1974 B13R0.165 C#CCCCNC(=O)CCCCCC 11a_100000718082_100102632555 [0,1,0,0,0,0|2,0,1]=4 1975 B13R0.165 C#CCCCNC(=O)CCCCCC 1626a_100000718082_100102632555 [0,1,0,0,0,0|2,0,1]=4 1976 B13R0.165 C#CCCCNC(=O)CCCCCC 240690a_100000718082_100102632555 [0,1,0,0,0,0|2,0,1]=4 1977 B13R0.165 C#CCCCNC(=O)CCCCCC 527a_100000718082_100102632555 [0,1,0,0,0,0|2,0,1]=4 1978 B13R0.165 C#CCCCNC(=O)CCCCCO 240690a_100000718082_100102619762 [0,1,0,0,0,0|2,0,1]=4 1979 B13R0.165 C#CCCCNC(=O)COCCCC 11a_100000718082_100000757543 [0,1,0,0,0,0|2,0,1]=4 1980 B13R0.165 C#CCCCNC(=O)COCCCC 1626a_100000718082_100000757543 [0,1,0,0,0,0|2,0,1]=4 1981 B13R0.165 C#CCCCNC(=O)COCCCC 240690a_100000718082_100000757543 [0,1,0,0,0,0|2,0,1]=4 1982 B13R0.165 C#CCCCNC(=O)COCCCC 527a_100000718082_100000757543 [0,1,0,0,0,0|2,0,1]=4 1983 B13R0.165 C#CCCCNC(=O)CSCCCC 11a_100000718082_100000191162 [0,1,0,0,0,0|2,0,1]=4 1984 B13R0.165 C#CCCCNC(=O)CSCCCC 1626a_100000718082_100000191162 [0,1,0,0,0,0|2,0,1]=4 1985 B13R0.165 C#CCCCNC(=O)CSCCCC 240690a_100000718082_100000191162 [0,1,0,0,0,0|2,0,1]=4 1986 B13R0.165 C#CCCCNC(=O)CSCCCC 527a_100000718082_100000191162 [0,1,0,0,0,0|2,0,1]=4 1987 B13R0.165 C#CCCCNC(=O)NCCCCC 2708a_100000209983_100000718082 [0,1,0,0,0,0|2,0,1]=4 1988 B13R0.165 C#CCCCNC(=O)NCCCCC 2708a_100000718082_100000209983 [0,1,0,0,0,0|2,0,1]=4 1989 B13R0.165 C#CCCCNC(=O)NCCCCC 273464a_100000209983_100000718082 [0,1,0,0,0,0|2,0,1]=4 1990 B13R0.165 C#CCCCNC(=O)NCCCCC 273464a_100000718082_100000209983 [0,1,0,0,0,0|2,0,1]=4 1991 B13R0.165 C#CCCCNC(=O)NCCCCC 512a_100000209983_100000718082 [0,1,0,0,0,0|2,0,1]=4 1992 B13R0.165 C#CCCCNC(=O)NCCCCC 512a_100000718082_100000209983 [0,1,0,0,0,0|2,0,1]=4 1993 B13R0.165 C#CCCCNC(=O)NCCCSC 2708a_100000718082_100000749238 [0,1,0,0,0,0|1,0,2]=4 1994 B13R0.165 C#CCCCNC(=O)NCCCSC 2708a_100000749238_100000718082 [0,1,0,0,0,0|1,0,2]=4 1995 B13R0.165 C#CCCCNC(=O)NCCCSC 273464a_100000718082_100000749238 [0,1,0,0,0,0|1,0,2]=4 1996 B13R0.165 C#CCCCNC(=O)NCCCSC 273464a_100000749238_100000718082 [0,1,0,0,0,0|1,0,2]=4 1997 B13R0.165 C#CCCCNC(=O)NCCCSC 512a_100000718082_100000749238 [0,1,0,0,0,0|1,0,2]=4 1998 B13R0.165 C#CCCCNC(=O)NCCCSC 512a_100000749238_100000718082 [0,1,0,0,0,0|1,0,2]=4 1999 B13R0.165 C#CCOCCC(=O)NCCCSC 11a_100000749238_100000693358 [0,1,0,0,0,0|1,0,2]=4 2000 B13R0.165 C#CCOCCC(=O)NCCCSC 1626a_100000749238_100000693358 [0,1,0,0,0,0|1,0,2]=4 2001 B13R0.165 C#CCOCCC(=O)NCCCSC 240690a_100000749238_100000693358 [0,1,0,0,0,0|1,0,2]=4 2002 B13R0.165 C#CCOCCC(=O)NCCCSC 527a_100000749238_100000693358 [0,1,0,0,0,0|1,0,2]=4 2003 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,1,0,0,0,0|2,0,1]=4 2004 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,1,0,0,0,0|2,0,1]=4 2005 B13R0.165 C=CCCCCC(=O)CCCCCF 1458a_100011215552_100000729378 [0,1,0,0,0,0|2,0,1]=4 2006 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100011215552_100000746330 [0,1,0,0,0,0|2,0,1]=4 2007 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100102619762_100011215482 [0,1,0,0,0,0|2,0,1]=4 2008 B13R0.165 C=CCCCCC(=O)CCCCOC 1458a_100011215552_100000755781 [0,1,0,0,0,0|1,1,1]=4 2009 B13R0.165 C=CCCCCC(=O)CCCOCC 1458a_100011215552_100012232248 [0,1,0,0,0,0|2,0,1]=4 2010 B13R0.165 C=CCCCCC(=O)CCOCCC 1458a_100011215552_100011215938 [0,1,0,0,0,0|2,0,1]=4 2011 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100000757543_100011215482 [0,1,0,0,0,0|2,0,1]=4 2012 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100011215552_100011995733 [0,1,0,0,0,0|2,0,1]=4 2013 B13R0.165 C=CCCCCC(=O)CSCCCC 1458a_100000191162_100011215482 [0,1,0,0,0,0|2,0,1]=4 2014 B13R0.165 C=CCCCCC(=O)NCCCCC 11a_100000209983_100011215552 [0,1,0,0,0,0|2,0,1]=4 2015 B13R0.165 C=CCCCCC(=O)NCCCCC 1626a_100000209983_100011215552 [0,1,0,0,0,0|2,0,1]=4 2016 B13R0.165 C=CCCCCC(=O)NCCCCC 240690a_100000209983_100011215552 [0,1,0,0,0,0|2,0,1]=4 2017 B13R0.165 C=CCCCCC(=O)NCCCCC 527a_100000209983_100011215552 [0,1,0,0,0,0|2,0,1]=4 2018 B13R0.165 C=CCCCCC(=O)NCCCOC 1626a_100150723488_100011215552 [0,1,0,0,0,0|1,1,1]=4 2019 B13R0.165 C=CCCCCC(=O)NCCCOC 240690a_100150723488_100011215552 [0,1,0,0,0,0|1,1,1]=4 2020 B13R0.165 C=CCCCCC(=O)NCCCOC 527a_100150723488_100011215552 [0,1,0,0,0,0|1,1,1]=4 2021 B13R0.165 C=CCCCCC(=O)NCCCSC 11a_100000749238_100011215552 [0,1,0,0,0,0|1,0,1]=3 2022 B13R0.165 C=CCCCCC(=O)NCCCSC 1626a_100000749238_100011215552 [0,1,0,0,0,0|1,0,1]=3 2023 B13R0.165 C=CCCCCC(=O)NCCCSC 240690a_100000749238_100011215552 [0,1,0,0,0,0|1,0,1]=3 2024 B13R0.165 C=CCCCCC(=O)NCCCSC 527a_100000749238_100011215552 [0,1,0,0,0,0|1,0,1]=3 2025 B13R0.165 C=CCCCNC(=O)CCCCCC 11a_100000700776_100102632555 [0,1,0,0,0,0|2,0,1]=4 2026 B13R0.165 C=CCCCNC(=O)CCCCCC 1626a_100000700776_100102632555 [0,1,0,0,0,0|2,0,1]=4 2027 B13R0.165 C=CCCCNC(=O)CCCCCC 240690a_100000700776_100102632555 [0,1,0,0,0,0|2,0,1]=4 2028 B13R0.165 C=CCCCNC(=O)CCCCCC 527a_100000700776_100102632555 [0,1,0,0,0,0|2,0,1]=4 2029 B13R0.165 C=CCCCNC(=O)CCCCCO 240690a_100000700776_100102619762 [0,1,0,0,0,0|2,0,1]=4 2030 B13R0.165 C=CCCCNC(=O)COCCCC 11a_100000700776_100000757543 [0,1,0,0,0,0|2,0,1]=4 2031 B13R0.165 C=CCCCNC(=O)COCCCC 1626a_100000700776_100000757543 [0,1,0,0,0,0|2,0,1]=4 2032 B13R0.165 C=CCCCNC(=O)COCCCC 240690a_100000700776_100000757543 [0,1,0,0,0,0|2,0,1]=4 2033 B13R0.165 C=CCCCNC(=O)COCCCC 527a_100000700776_100000757543 [0,1,0,0,0,0|2,0,1]=4 2034 B13R0.165 C=CCCCNC(=O)CSCCCC 11a_100000700776_100000191162 [0,1,0,0,0,0|2,0,1]=4 2035 B13R0.165 C=CCCCNC(=O)CSCCCC 1626a_100000700776_100000191162 [0,1,0,0,0,0|2,0,1]=4 2036 B13R0.165 C=CCCCNC(=O)CSCCCC 240690a_100000700776_100000191162 [0,1,0,0,0,0|2,0,1]=4 2037 B13R0.165 C=CCCCNC(=O)CSCCCC 527a_100000700776_100000191162 [0,1,0,0,0,0|2,0,1]=4 2038 B13R0.165 C=CCCCNC(=O)NCCCCC 2708a_100000209983_100000700776 [0,1,0,0,0,0|2,0,1]=4 2039 B13R0.165 C=CCCCNC(=O)NCCCCC 2708a_100000700776_100000209983 [0,1,0,0,0,0|2,0,1]=4 2040 B13R0.165 C=CCCCNC(=O)NCCCCC 273464a_100000209983_100000700776 [0,1,0,0,0,0|2,0,1]=4 2041 B13R0.165 C=CCCCNC(=O)NCCCCC 273464a_100000700776_100000209983 [0,1,0,0,0,0|2,0,1]=4 2042 B13R0.165 C=CCCCNC(=O)NCCCCC 512a_100000209983_100000700776 [0,1,0,0,0,0|2,0,1]=4 2043 B13R0.165 C=CCCCNC(=O)NCCCCC 512a_100000700776_100000209983 [0,1,0,0,0,0|2,0,1]=4 2044 B13R0.165 C=CCCCNC(=O)NCCCSC 2708a_100000700776_100000749238 [0,1,0,0,0,0|1,0,2]=4 2045 B13R0.165 C=CCCCNC(=O)NCCCSC 2708a_100000749238_100000700776 [0,1,0,0,0,0|1,0,2]=4 2046 B13R0.165 C=CCCCNC(=O)NCCCSC 273464a_100000700776_100000749238 [0,1,0,0,0,0|1,0,2]=4 2047 B13R0.165 C=CCCCNC(=O)NCCCSC 273464a_100000749238_100000700776 [0,1,0,0,0,0|1,0,2]=4 2048 B13R0.165 C=CCCCNC(=O)NCCCSC 512a_100000700776_100000749238 [0,1,0,0,0,0|1,0,2]=4 2049 B13R0.165 C=CCCCNC(=O)NCCCSC 512a_100000749238_100000700776 [0,1,0,0,0,0|1,0,2]=4 2050 B13R0.165 C=CCOCCC(=O)NCCCSC 11a_100000749238_200011217002 [0,1,0,0,0,0|1,0,2]=4 2051 B13R0.165 C=CCOCCC(=O)NCCCSC 1626a_100000749238_200011217002 [0,1,0,0,0,0|1,0,2]=4 2052 B13R0.165 C=CCOCCC(=O)NCCCSC 240690a_100000749238_200011217002 [0,1,0,0,0,0|1,0,2]=4 2053 B13R0.165 C=CCOCCC(=O)NCCCSC 527a_100000749238_200011217002 [0,1,0,0,0,0|1,0,2]=4 2054 B13R0.165 CC/C=C\CCC(=O)CCCCCC 1458a_100102632555_100015370543 [0,1,0,0,0,0|2,0,1]=4 2055 B13R0.165 CCC/C=C/CC(=O)CCCCCC 1458a_200016266809_100000210757 [0,1,0,0,0,0|2,0,1]=4 2056 B13R0.165 CCC/C=C/CC(=O)CCCCOC 1458a_200016266809_100000755781 [0,1,0,0,0,0|1,1,1]=4 2057 B13R0.165 CCC/C=C/CC(=O)NCCCCC 11a_100000209983_200016266809 [0,1,0,0,0,0|2,0,1]=4 2058 B13R0.165 CCC/C=C/CC(=O)NCCCCC 1626a_100000209983_200016266809 [0,1,0,0,0,0|2,0,1]=4 2059 B13R0.165 CCC/C=C/CC(=O)NCCCCC 240690a_100000209983_200016266809 [0,1,0,0,0,0|2,0,1]=4 2060 B13R0.165 CCC/C=C/CC(=O)NCCCCC 527a_100000209983_200016266809 [0,1,0,0,0,0|2,0,1]=4 2061 B13R0.165 CCC/C=C/CC(=O)NCCCOC 1626a_100150723488_200016266809 [0,1,0,0,0,0|1,1,1]=4 2062 B13R0.165 CCC/C=C/CC(=O)NCCCOC 240690a_100150723488_200016266809 [0,1,0,0,0,0|1,1,1]=4 2063 B13R0.165 CCC/C=C/CC(=O)NCCCOC 527a_100150723488_200016266809 [0,1,0,0,0,0|1,1,1]=4 2064 B13R0.165 CCC/C=C/CC(=O)NCCCSC 11a_100000749238_200016266809 [0,1,0,0,0,0|1,0,1]=3 2065 B13R0.165 CCC/C=C/CC(=O)NCCCSC 1626a_100000749238_200016266809 [0,1,0,0,0,0|1,0,1]=3 2066 B13R0.165 CCC/C=C/CC(=O)NCCCSC 240690a_100000749238_200016266809 [0,1,0,0,0,0|1,0,1]=3 2067 B13R0.165 CCC/C=C/CC(=O)NCCCSC 527a_100000749238_200016266809 [0,1,0,0,0,0|1,0,1]=3 2068 B13R0.165 CCCCC=CC(=O)CCCCCC 1458a_100016266645_100000210757 [0,1,0,0,0,0|2,0,1]=4 2069 B13R0.165 CCCCC=CC(=O)CCCCCF 1458a_100016266645_100000729378 [0,1,0,0,0,0|2,0,1]=4 2070 B13R0.165 CCCCC=CC(=O)CCCCCO 1458a_100016266645_100000746330 [0,1,0,0,0,0|2,0,1]=4 2071 B13R0.165 CCCCC=CC(=O)CCCCOC 1458a_100016266645_100000755781 [0,1,0,0,0,0|1,1,1]=4 2072 B13R0.165 CCCCC=CC(=O)CCCOCC 1458a_100016266645_100012232248 [0,1,0,0,0,0|2,0,1]=4 2073 B13R0.165 CCCCC=CC(=O)CCOCCC 1458a_100016266645_100011215938 [0,1,0,0,0,0|2,0,1]=4 2074 B13R0.165 CCCCC=CC(=O)COCCCC 1458a_100016266645_100011995733 [0,1,0,0,0,0|2,0,1]=4 2075 B13R0.165 CCCCC=CC(=O)NCCCCC 11a_100000209983_100016266645 [0,1,0,0,0,0|2,0,1]=4 2076 B13R0.165 CCCCC=CC(=O)NCCCCC 1626a_100000209983_100016266645 [0,1,0,0,0,0|2,0,1]=4 2077 B13R0.165 CCCCC=CC(=O)NCCCCC 240690a_100000209983_100016266645 [0,1,0,0,0,0|2,0,1]=4 2078 B13R0.165 CCCCC=CC(=O)NCCCOC 1626a_100150723488_100016266645 [0,1,0,0,0,0|1,1,1]=4 2079 B13R0.165 CCCCC=CC(=O)NCCCOC 240690a_100150723488_100016266645 [0,1,0,0,0,0|1,1,1]=4 2080 B13R0.165 CCCCC=CC(=O)NCCCSC 11a_100000749238_100016266645 [0,1,0,0,0,0|1,0,1]=3 2081 B13R0.165 CCCCC=CC(=O)NCCCSC 1626a_100000749238_100016266645 [0,1,0,0,0,0|1,0,1]=3 2082 B13R0.165 CCCCC=CC(=O)NCCCSC 240690a_100000749238_100016266645 [0,1,0,0,0,0|1,0,1]=3 2083 B13R0.165 CCCCCCC(=O)CCCCC#N 1458a_100102632555_100000211819 [0,1,0,0,0,0|2,0,1]=4 2084 B13R0.165 CCCCCCC(=O)CCCCCC 1458a_100102632555_100000210757 [0,1,0,0,0,0|2,0,0]=3 2085 B13R0.165 CCCCCCC(=O)CCCCCF 1458a_100102632555_100000729378 [0,1,0,0,0,0|2,0,0]=3 2086 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [0,1,0,0,0,0|2,0,0]=3 2087 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [0,1,0,0,0,0|2,0,0]=3 2088 B13R0.165 CCCCCCC(=O)CCCCOC 1458a_100102632555_100000755781 [0,1,0,0,0,0|1,1,0]=3 2089 B13R0.165 CCCCCCC(=O)CCCOCC 1458a_100102632555_100012232248 [0,1,0,0,0,0|2,0,0]=3 2090 B13R0.165 CCCCCCC(=O)CCOCCC 1458a_100102632555_100011215938 [0,1,0,0,0,0|2,0,0]=3 2091 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100011229844_100000210757 [0,1,0,0,0,0|3,0,0]=4 2092 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100102632555_100011215305 [0,1,0,0,0,0|3,0,0]=4 2093 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100000757543_100000210757 [0,1,0,0,0,0|2,0,0]=3 2094 B13R0.165 CCCCCCC(=O)COCCCC 1458a_100102632555_100011995733 [0,1,0,0,0,0|2,0,0]=3 2095 B13R0.165 CCCCCCC(=O)COCCOC 1458a_100000211095_100000210757 [0,1,0,0,0,0|2,1,0]=4 2096 B13R0.165 CCCCCCC(=O)CSCCCC 1458a_100000191162_100000210757 [0,1,0,0,0,0|2,0,0]=3 2097 B13R0.165 CCCCCCC(=O)NCCCCC 11a_100000209983_100102632555 [0,1,0,0,0,0|2,0,0]=3 2098 B13R0.165 CCCCCCC(=O)NCCCCC 1626a_100000209983_100102632555 [0,1,0,0,0,0|2,0,0]=3 2099 B13R0.165 CCCCCCC(=O)NCCCCC 240690a_100000209983_100102632555 [0,1,0,0,0,0|2,0,0]=3 2100 B13R0.165 CCCCCCC(=O)NCCCCC 527a_100000209983_100102632555 [0,1,0,0,0,0|2,0,0]=3 2101 B13R0.165 CCCCCCC(=O)NCCCCO 240690a_100000750430_100102632555 [0,1,0,0,0,0|3,0,0]=4 2102 B13R0.165 CCCCCCC(=O)NCCCCO 527a_100000750430_100102632555 [0,1,0,0,0,0|3,0,0]=4 2103 B13R0.165 CCCCCCC(=O)NCCCOC 1626a_100150723488_100102632555 [0,1,0,0,0,0|1,1,0]=3 2104 B13R0.165 CCCCCCC(=O)NCCCOC 240690a_100150723488_100102632555 [0,1,0,0,0,0|1,1,0]=3 2105 B13R0.165 CCCCCCC(=O)NCCCOC 527a_100150723488_100102632555 [0,1,0,0,0,0|1,1,0]=3 2106 B13R0.165 CCCCCCC(=O)NCCCSC 11a_100000749238_100102632555 [0,1,0,0,0,0|1,0,0]=2 2107 B13R0.165 CCCCCCC(=O)NCCCSC 1626a_100000749238_100102632555 [0,1,0,0,0,0|1,0,0]=2 2108 B13R0.165 CCCCCCC(=O)NCCCSC 240690a_100000749238_100102632555 [0,1,0,0,0,0|1,0,0]=2 2109 B13R0.165 CCCCCCC(=O)NCCCSC 527a_100000749238_100102632555 [0,1,0,0,0,0|1,0,0]=2 2110 B13R0.165 CCCCCCC(=O)NCCOCC 11a_100011200944_100102632555 [0,1,0,0,0,0|3,0,0]=4 2111 B13R0.165 CCCCCCC(=O)NCCOCC 1626a_102516460346_100102632555 [0,1,0,0,0,0|3,0,0]=4 2112 B13R0.165 CCCCCCC(=O)NCCOCC 240690a_100011200944_100102632555 [0,1,0,0,0,0|3,0,0]=4 2113 B13R0.165 CCCCCCC(=O)NCCOCC 527a_100011200944_100102632555 [0,1,0,0,0,0|3,0,0]=4 2114 B13R0.165 CCCCCCC(=O)NCCSCC 11a_100000106463_100102632555 [0,1,0,0,0,0|3,0,0]=4 2115 B13R0.165 CCCCCCC(=O)NCCSCC 1626a_100000106463_100102632555 [0,1,0,0,0,0|3,0,0]=4 2116 B13R0.165 CCCCCCC(=O)NCCSCC 240690a_100000106463_100102632555 [0,1,0,0,0,0|3,0,0]=4 2117 B13R0.165 CCCCCCC(=O)NCCSCC 527a_100000106463_100102632555 [0,1,0,0,0,0|3,0,0]=4 2118 B13R0.165 CCCCCCC(=O)NNCCCC 22a_100025702795_100102632555 [0,1,0,0,0,0|3,0,0]=4 2119 B13R0.165 CCCCCCC(=O)NNCCOC 22a_100000741390_100102632555 [0,1,0,0,0,0|2,1,0]=4 2120 B13R0.165 CCCCCCC(C)NCCCSC 2230a_100000749238_100011215978 [0,1,0,0,0,0|2,0,1]=4 2121 B13R0.165 CCCCCCC(C)NCCCSC 270004a_100000749238_100000210826 [0,1,0,0,0,0|2,0,1]=4 2122 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210253_100011215978 [0,1,0,0,0,0|2,0,1]=4 2123 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210265_100000718602 [0,1,0,0,0,0|2,0,1]=4 2124 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210253_100011215978 [0,1,0,0,0,0|2,0,1]=4 2125 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210265_100000210326 [0,1,0,0,0,0|2,0,1]=4 2126 B13R0.165 CCCCCCC(C)OCCCNC 34a_100000213112_100011215978 [0,1,0,0,0,0|2,0,1]=4 2127 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000210265_100000740836 [0,1,0,0,0,0|1,1,1]=4 2128 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000740835_100011215978 [0,1,0,0,0,0|1,1,1]=4 2129 B13R0.165 CCCCCCC(C)OCCCOC 7a_100000210265_100000740836 [0,1,0,0,0,0|1,1,1]=4 2130 B13R0.165 CCCCCCC(C)OCCCSC 34a_100000690336_100011215978 [0,1,0,0,0,0|1,0,1]=3 2131 B13R0.165 CCCCCCC(C)OCCCSC 7a_100000690336_100011215978 [0,1,0,0,0,0|1,0,1]=3 2132 B13R0.165 CCCCCNC(=O)CCCCCO 240690a_100000209983_100102619762 [0,1,0,0,0,0|2,0,0]=3 2133 B13R0.165 CCCCCNC(=O)CCOCCO 1626a_100000209983_100011229844 [0,1,0,0,0,0|3,0,0]=4 2134 B13R0.165 CCCCCNC(=O)CCOCCO 240690a_100000209983_100011229844 [0,1,0,0,0,0|3,0,0]=4 2135 B13R0.165 CCCCCNC(=O)CNCCCC 2230a_100000102301_100000230301 [0,1,0,0,0,0|2,0,0]=3 2136 B13R0.165 CCCCCNC(=O)CNCCCC 7a_106832991798_100000230301 [0,1,0,0,0,0|2,0,0]=3 2137 B13R0.165 CCCCCNC(=O)CNCCCF 2230a_100015189416_100000230301 [0,1,0,0,0,0|3,0,0]=4 2138 B13R0.165 CCCCCNC(=O)CNCCCF 34a_100015189416_100000230301 [0,1,0,0,0,0|3,0,0]=4 2139 B13R0.165 CCCCCNC(=O)CNCCOC 2230a_100000209980_100000230301 [0,1,0,0,0,0|2,1,0]=4 2140 B13R0.165 CCCCCNC(=O)CNCCSC 2230a_100020590264_100000230301 [0,1,0,0,0,0|2,0,0]=3 2141 B13R0.165 CCCCCNC(=O)COCCCBr 34a_100011217188_100000230301 [0,1,0,0,0,0|3,0,0]=4 2142 B13R0.165 CCCCCNC(=O)COCCCC 11a_100000209983_100000757543 [0,1,0,0,0,0|2,0,0]=3 2143 B13R0.165 CCCCCNC(=O)COCCCC 1626a_100000209983_100000757543 [0,1,0,0,0,0|2,0,0]=3 2144 B13R0.165 CCCCCNC(=O)COCCCC 240690a_100000209983_100000757543 [0,1,0,0,0,0|2,0,0]=3 2145 B13R0.165 CCCCCNC(=O)COCCCC 34a_100000210227_100000230301 [0,1,0,0,0,0|2,0,0]=3 2146 B13R0.165 CCCCCNC(=O)COCCCC 527a_100000209983_100000757543 [0,1,0,0,0,0|2,0,0]=3 2147 B13R0.165 CCCCCNC(=O)COCCCC 7a_100000210227_100000230301 [0,1,0,0,0,0|2,0,0]=3 2148 B13R0.165 CCCCCNC(=O)COCCCCl 34a_100000230001_100000230301 [0,1,0,0,0,0|3,0,0]=4 2149 B13R0.165 CCCCCNC(=O)COCCCF 34a_100000759539_100000230301 [0,1,0,0,0,0|3,0,0]=4 2150 B13R0.165 CCCCCNC(=O)COCCCN 34a_100000182051_100000230301 [0,1,0,0,0,0|3,0,0]=4 2151 B13R0.165 CCCCCNC(=O)COCCOC 11a_100000209983_100000211095 [0,1,0,0,0,0|2,1,0]=4 2152 B13R0.165 CCCCCNC(=O)COCCOC 1626a_100000209983_100000211095 [0,1,0,0,0,0|2,1,0]=4 2153 B13R0.165 CCCCCNC(=O)COCCOC 240690a_100000209983_100000211095 [0,1,0,0,0,0|2,1,0]=4 2154 B13R0.165 CCCCCNC(=O)COCCOC 34a_100000210237_100000230301 [0,1,0,0,0,0|2,1,0]=4 2155 B13R0.165 CCCCCNC(=O)COCCOC 527a_100000209983_100000211095 [0,1,0,0,0,0|2,1,0]=4 2156 B13R0.165 CCCCCNC(=O)COCCSC 34a_100000230434_100000230301 [0,1,0,0,0,0|2,0,0]=3 2157 B13R0.165 CCCCCNC(=O)COCCSC 7a_100000230434_100000230301 [0,1,0,0,0,0|2,0,0]=3 2158 B13R0.165 CCCCCNC(=O)CSCCCC 11a_100000209983_100000191162 [0,1,0,0,0,0|2,0,0]=3 2159 B13R0.165 CCCCCNC(=O)CSCCCC 1626a_100000209983_100000191162 [0,1,0,0,0,0|2,0,0]=3 2160 B13R0.165 CCCCCNC(=O)CSCCCC 240690a_100000209983_100000191162 [0,1,0,0,0,0|2,0,0]=3 2161 B13R0.165 CCCCCNC(=O)CSCCCC 527a_100000209983_100000191162 [0,1,0,0,0,0|2,0,0]=3 2162 B13R0.165 CCCCCNC(=O)CSCCCC 62a_100000210211_100000230301 [0,1,0,0,0,0|2,0,0]=3 2163 B13R0.165 CCCCCNC(=O)CSCCCC 62a_100000230301_100000210210 [0,1,0,0,0,0|2,0,0]=3 2164 B13R0.165 CCCCCNC(=O)CSCCCF 62a_100000230301_100011934791 [0,1,0,0,0,0|3,0,0]=4 2165 B13R0.165 CCCCCNC(=O)CSCCCF 62a_100011934791_100000230301 [0,1,0,0,0,0|3,0,0]=4 2166 B13R0.165 CCCCCNC(=O)CSCCCO 62a_100000230301_100011215043 [0,1,0,0,0,0|3,0,0]=4 2167 B13R0.165 CCCCCNC(=O)CSCCCO 62a_100011215043_100000230301 [0,1,0,0,0,0|3,0,0]=4 2168 B13R0.165 CCCCCNC(=O)CSCCOC 62a_100000230301_100000233755 [0,1,0,0,0,0|2,1,0]=4 2169 B13R0.165 CCCCCNC(=O)CSCCOC 62a_100000233755_100000230301 [0,1,0,0,0,0|2,1,0]=4 2170 B13R0.165 CCCCCNC(=O)CSCCSC 62a_100000212216_100000230301 [0,1,0,0,0,0|2,0,0]=3 2171 B13R0.165 CCCCCNC(=O)CSCCSC 62a_100000230301_100000751147 [0,1,0,0,0,0|2,0,0]=3 2172 B13R0.165 CCCCCNC(=O)CSCOCC 62a_100000230301_100000739092 [0,1,0,0,0,0|3,0,0]=4 2173 B13R0.165 CCCCCNC(=O)CSCOCC 62a_100000739092_100000230301 [0,1,0,0,0,0|3,0,0]=4 2174 B13R0.165 CCCCCNC(=O)NCCCCC 2708a_100000209983_100000209983 [0,1,0,0,0,0|2,0,0]=3 2175 B13R0.165 CCCCCNC(=O)NCCCCC 273464a_100000209983_100000209983 [0,1,0,0,0,0|2,0,0]=3 2176 B13R0.165 CCCCCNC(=O)NCCCCC 512a_100000209983_100000209983 [0,1,0,0,0,0|2,0,0]=3 2177 B13R0.165 CCCCCNC(=O)NCCCCO 2708a_100000209983_100000750430 [0,1,0,0,0,0|3,0,0]=4 2178 B13R0.165 CCCCCNC(=O)NCCCCO 2708a_100000750430_100000209983 [0,1,0,0,0,0|3,0,0]=4 2179 B13R0.165 CCCCCNC(=O)NCCCCO 273464a_100000209983_100000750430 [0,1,0,0,0,0|3,0,0]=4 2180 B13R0.165 CCCCCNC(=O)NCCCCO 273464a_100000750430_100000209983 [0,1,0,0,0,0|3,0,0]=4 2181 B13R0.165 CCCCCNC(=O)NCCCCO 512a_100000209983_100000750430 [0,1,0,0,0,0|3,0,0]=4 2182 B13R0.165 CCCCCNC(=O)NCCCCO 512a_100000750430_100000209983 [0,1,0,0,0,0|3,0,0]=4 2183 B13R0.165 CCCCCNC(=O)NCCCOC 2708a_100000209983_100150723488 [0,1,0,0,0,0|1,1,0]=3 2184 B13R0.165 CCCCCNC(=O)NCCCOC 2708a_100150723488_100000209983 [0,1,0,0,0,0|1,1,0]=3 2185 B13R0.165 CCCCCNC(=O)NCCCOC 273464a_100000209983_100150723488 [0,1,0,0,0,0|1,1,0]=3 2186 B13R0.165 CCCCCNC(=O)NCCCOC 273464a_100150723488_100000209983 [0,1,0,0,0,0|1,1,0]=3 2187 B13R0.165 CCCCCNC(=O)NCCCOC 512a_100000209983_100150723488 [0,1,0,0,0,0|1,1,0]=3 2188 B13R0.165 CCCCCNC(=O)NCCCSC 2708a_100000209983_100000749238 [0,1,0,0,0,0|1,0,0]=2 2189 B13R0.165 CCCCCNC(=O)NCCCSC 2708a_100000749238_100000209983 [0,1,0,0,0,0|1,0,0]=2 2190 B13R0.165 CCCCCNC(=O)NCCCSC 273464a_100000209983_100000749238 [0,1,0,0,0,0|1,0,0]=2 2191 B13R0.165 CCCCCNC(=O)NCCCSC 273464a_100000749238_100000209983 [0,1,0,0,0,0|1,0,0]=2 2192 B13R0.165 CCCCCNC(=O)NCCCSC 512a_100000209983_100000749238 [0,1,0,0,0,0|1,0,0]=2 2193 B13R0.165 CCCCCNC(=O)NCCCSC 512a_100000749238_100000209983 [0,1,0,0,0,0|1,0,0]=2 2194 B13R0.165 CCCCCNC(=O)NCCOCC 2708a_100000209983_100011200944 [0,1,0,0,0,0|3,0,0]=4 2195 B13R0.165 CCCCCNC(=O)NCCOCC 2708a_100011200944_100000209983 [0,1,0,0,0,0|3,0,0]=4 2196 B13R0.165 CCCCCNC(=O)NCCOCC 273464a_100000209983_102516460346 [0,1,0,0,0,0|3,0,0]=4 2197 B13R0.165 CCCCCNC(=O)NCCOCC 273464a_102516460346_100000209983 [0,1,0,0,0,0|3,0,0]=4 2198 B13R0.165 CCCCCNC(=O)NCCOCC 512a_100000209983_100011200944 [0,1,0,0,0,0|3,0,0]=4 2199 B13R0.165 CCCCCNC(=O)NCCOCC 512a_100011200944_100000209983 [0,1,0,0,0,0|3,0,0]=4 2200 B13R0.165 CCCCCNC(=O)NCCSCC 2708a_100000106463_100000209983 [0,1,0,0,0,0|3,0,0]=4 2201 B13R0.165 CCCCCNC(=O)NCCSCC 2708a_100000209983_100000106463 [0,1,0,0,0,0|3,0,0]=4 2202 B13R0.165 CCCCCNC(=O)NCCSCC 273464a_100000106463_100000209983 [0,1,0,0,0,0|3,0,0]=4 2203 B13R0.165 CCCCCNC(=O)NCCSCC 273464a_100000209983_100000106463 [0,1,0,0,0,0|3,0,0]=4 2204 B13R0.165 CCCCCNC(=O)NCCSCC 512a_100000106463_100000209983 [0,1,0,0,0,0|3,0,0]=4 2205 B13R0.165 CCCCCNC(=O)NCCSCC 512a_100000209983_100000106463 [0,1,0,0,0,0|3,0,0]=4 2206 B13R0.165 CCCCCNC(=O)NNCCCC 273464a_100000209983_100025702795 [0,1,0,0,0,0|3,0,0]=4 2207 B13R0.165 CCCCCNC(=O)NNCCCC 512a_100000209983_100025702795 [0,1,0,0,0,0|3,0,0]=4 2208 B13R0.165 CCCCCNC(=O)NNCCCC 512a_100025702795_100000209983 [0,1,0,0,0,0|3,0,0]=4 2209 B13R0.165 CCCCCNC(=O)NNCCOC 273464a_100000209983_100000741390 [0,1,0,0,0,0|2,1,0]=4 2210 B13R0.165 CCCCCOC(C)COCCCC 34a_100011217071_100000718602 [0,1,0,0,0,0|2,0,1]=4 2211 B13R0.165 CCCCCOC(C)COCCCC 7a_100011217071_100000210326 [0,1,0,0,0,0|2,0,1]=4 2212 B13R0.165 CCCCNCC(=O)NCCCOC 2230a_100000102301_100000183178 [0,1,0,0,0,0|1,1,0]=3 2213 B13R0.165 CCCCNCC(=O)NCCCOC 7a_106832991798_100000183178 [0,1,0,0,0,0|1,1,0]=3 2214 B13R0.165 CCCCNCC(=O)OCCOCC 2230a_100000102301_200000101388 [0,1,0,0,0,0|2,0,0]=3 2215 B13R0.165 CCCCNCC(=O)OCCOCC 7a_106832991798_200000101388 [0,1,0,0,0,0|2,0,0]=3 2216 B13R0.165 CCCCNNC(=O)CCCCCO 22a_100025702795_100102619762 [0,1,0,0,0,0|3,0,0]=4 2217 B13R0.165 CCCCNNC(=O)COCCCC 22a_100025702795_100000757543 [0,1,0,0,0,0|3,0,0]=4 2218 B13R0.165 CCCCNNC(=O)CSCCCC 22a_100025702795_100000191162 [0,1,0,0,0,0|3,0,0]=4 2219 B13R0.165 CCCCNNC(=O)NCCCOC 273464a_100150723488_100025702795 [0,1,0,0,0,0|2,1,0]=4 2220 B13R0.165 CCCCNNC(=O)NCCCOC 512a_100025702795_100150723488 [0,1,0,0,0,0|2,1,0]=4 2221 B13R0.165 CCCCNNC(=O)NCCCSC 273464a_100000749238_100025702795 [0,1,0,0,0,0|2,0,0]=3 2222 B13R0.165 CCCCNNC(=O)NCCCSC 512a_100000749238_100025702795 [0,1,0,0,0,0|2,0,0]=3 2223 B13R0.165 CCCCNNC(=O)NCCCSC 512a_100025702795_100000749238 [0,1,0,0,0,0|2,0,0]=3 2224 B13R0.165 CCCCOCC(=O)CCCCC#N 1458a_100000757543_100000211819 [0,1,0,0,0,0|3,0,0]=4 2225 B13R0.165 CCCCOCC(=O)CCCCCF 1458a_100000757543_100000729378 [0,1,0,0,0,0|3,0,0]=4 2226 B13R0.165 CCCCOCC(=O)CCCCCO 1458a_100000757543_100000746330 [0,1,0,0,0,0|3,0,0]=4 2227 B13R0.165 CCCCOCC(=O)CCCCCO 1458a_100102619762_100011995733 [0,1,0,0,0,0|3,0,0]=4 2228 B13R0.165 CCCCOCC(=O)CCCCOC 1458a_100000757543_100000755781 [0,1,0,0,0,0|1,1,0]=3 2229 B13R0.165 CCCCOCC(=O)CCCOCC 1458a_100000757543_100012232248 [0,1,0,0,0,0|3,0,0]=4 2230 B13R0.165 CCCCOCC(=O)CCOCCC 1458a_100000757543_100011215938 [0,1,0,0,0,0|3,0,0]=4 2231 B13R0.165 CCCCOCC(=O)COCCCC 1458a_100000757543_100011995733 [0,1,0,0,0,0|3,0,0]=4 2232 B13R0.165 CCCCOCC(=O)COCCOC 1458a_100000211095_100011995733 [0,1,0,0,0,0|2,1,0]=4 2233 B13R0.165 CCCCOCC(=O)CSCCCC 1458a_100000191162_100011995733 [0,1,0,0,0,0|3,0,0]=4 2234 B13R0.165 CCCCOCC(=O)NCCCCO 240690a_100000750430_100000757543 [0,1,0,0,0,0|3,0,0]=4 2235 B13R0.165 CCCCOCC(=O)NCCCCO 527a_100000750430_100000757543 [0,1,0,0,0,0|3,0,0]=4 2236 B13R0.165 CCCCOCC(=O)NCCCOC 1626a_100150723488_100000757543 [0,1,0,0,0,0|1,1,0]=3 2237 B13R0.165 CCCCOCC(=O)NCCCOC 240690a_100150723488_100000757543 [0,1,0,0,0,0|1,1,0]=3 2238 B13R0.165 CCCCOCC(=O)NCCCOC 34a_100000210227_100000183178 [0,1,0,0,0,0|1,1,0]=3 2239 B13R0.165 CCCCOCC(=O)NCCCOC 527a_100150723488_100000757543 [0,1,0,0,0,0|1,1,0]=3 2240 B13R0.165 CCCCOCC(=O)NCCCOC 7a_100000210227_100000183178 [0,1,0,0,0,0|1,1,0]=3 2241 B13R0.165 CCCCOCC(=O)NCCCSC 11a_100000749238_100000757543 [0,1,0,0,0,0|1,0,0]=2 2242 B13R0.165 CCCCOCC(=O)NCCCSC 1626a_100000749238_100000757543 [0,1,0,0,0,0|1,0,0]=2 2243 B13R0.165 CCCCOCC(=O)NCCCSC 240690a_100000749238_100000757543 [0,1,0,0,0,0|1,0,0]=2 2244 B13R0.165 CCCCOCC(=O)NCCCSC 527a_100000749238_100000757543 [0,1,0,0,0,0|1,0,0]=2 2245 B13R0.165 CCCCOCC(=O)NCCOCC 11a_100011200944_100000757543 [0,1,0,0,0,0|3,0,0]=4 2246 B13R0.165 CCCCOCC(=O)NCCOCC 1626a_102516460346_100000757543 [0,1,0,0,0,0|3,0,0]=4 2247 B13R0.165 CCCCOCC(=O)NCCOCC 240690a_100011200944_100000757543 [0,1,0,0,0,0|3,0,0]=4 2248 B13R0.165 CCCCOCC(=O)NCCOCC 527a_100011200944_100000757543 [0,1,0,0,0,0|3,0,0]=4 2249 B13R0.165 CCCCOCC(=O)NCCSCC 11a_100000106463_100000757543 [0,1,0,0,0,0|3,0,0]=4 2250 B13R0.165 CCCCOCC(=O)NCCSCC 1626a_100000106463_100000757543 [0,1,0,0,0,0|3,0,0]=4 2251 B13R0.165 CCCCOCC(=O)NCCSCC 240690a_100000106463_100000757543 [0,1,0,0,0,0|3,0,0]=4 2252 B13R0.165 CCCCOCC(=O)NCCSCC 527a_100000106463_100000757543 [0,1,0,0,0,0|3,0,0]=4 2253 B13R0.165 CCCCOCC(=O)NNCCOC 22a_100000741390_100000757543 [0,1,0,0,0,0|2,1,0]=4 2254 B13R0.165 CCCCOCC(=O)OCCOCC 34a_100000210227_200000101388 [0,1,0,0,0,0|2,0,0]=3 2255 B13R0.165 CCCCOCC(=O)OCCOCC 7a_100000210227_200000101388 [0,1,0,0,0,0|2,0,0]=3 2256 B13R0.165 CCCCOCC(C)OCCCOC 34a_100011217071_100000740836 [0,1,0,0,0,0|1,1,1]=4 2257 B13R0.165 CCCCOCC(C)OCCCOC 7a_100011217071_100000740836 [0,1,0,0,0,0|1,1,1]=4 2258 B13R0.165 CCCCSCC(=O)CCCCC#N 1458a_100000191162_100000211819 [0,1,0,0,0,0|3,0,0]=4 2259 B13R0.165 CCCCSCC(=O)CCCCCF 1458a_100000191162_100000729378 [0,1,0,0,0,0|3,0,0]=4 2260 B13R0.165 CCCCSCC(=O)CCCCCO 1458a_100000191162_100000746330 [0,1,0,0,0,0|3,0,0]=4 2261 B13R0.165 CCCCSCC(=O)CCCCOC 1458a_100000191162_100000755781 [0,1,0,0,0,0|1,1,0]=3 2262 B13R0.165 CCCCSCC(=O)CCCOCC 1458a_100000191162_100012232248 [0,1,0,0,0,0|3,0,0]=4 2263 B13R0.165 CCCCSCC(=O)CCOCCC 1458a_100000191162_100011215938 [0,1,0,0,0,0|3,0,0]=4 2264 B13R0.165 CCCCSCC(=O)NCCCCO 240690a_100000750430_100000191162 [0,1,0,0,0,0|3,0,0]=4 2265 B13R0.165 CCCCSCC(=O)NCCCCO 527a_100000750430_100000191162 [0,1,0,0,0,0|3,0,0]=4 2266 B13R0.165 CCCCSCC(=O)NCCCOC 1626a_100150723488_100000191162 [0,1,0,0,0,0|1,1,0]=3 2267 B13R0.165 CCCCSCC(=O)NCCCOC 240690a_100150723488_100000191162 [0,1,0,0,0,0|1,1,0]=3 2268 B13R0.165 CCCCSCC(=O)NCCCOC 527a_100150723488_100000191162 [0,1,0,0,0,0|1,1,0]=3 2269 B13R0.165 CCCCSCC(=O)NCCCOC 62a_100000183178_100000210210 [0,1,0,0,0,0|1,1,0]=3 2270 B13R0.165 CCCCSCC(=O)NCCCSC 11a_100000749238_100000191162 [0,1,0,0,0,0|1,0,0]=2 2271 B13R0.165 CCCCSCC(=O)NCCCSC 1626a_100000749238_100000191162 [0,1,0,0,0,0|1,0,0]=2 2272 B13R0.165 CCCCSCC(=O)NCCCSC 240690a_100000749238_100000191162 [0,1,0,0,0,0|1,0,0]=2 2273 B13R0.165 CCCCSCC(=O)NCCCSC 527a_100000749238_100000191162 [0,1,0,0,0,0|1,0,0]=2 2274 B13R0.165 CCCCSCC(=O)NCCOCC 11a_100011200944_100000191162 [0,1,0,0,0,0|3,0,0]=4 2275 B13R0.165 CCCCSCC(=O)NCCOCC 1626a_102516460346_100000191162 [0,1,0,0,0,0|3,0,0]=4 2276 B13R0.165 CCCCSCC(=O)NCCOCC 240690a_100011200944_100000191162 [0,1,0,0,0,0|3,0,0]=4 2277 B13R0.165 CCCCSCC(=O)NCCOCC 527a_100011200944_100000191162 [0,1,0,0,0,0|3,0,0]=4 2278 B13R0.165 CCCCSCC(=O)NCCSCC 11a_100000106463_100000191162 [0,1,0,0,0,0|3,0,0]=4 2279 B13R0.165 CCCCSCC(=O)NCCSCC 1626a_100000106463_100000191162 [0,1,0,0,0,0|3,0,0]=4 2280 B13R0.165 CCCCSCC(=O)NCCSCC 240690a_100000106463_100000191162 [0,1,0,0,0,0|3,0,0]=4 2281 B13R0.165 CCCCSCC(=O)NCCSCC 527a_100000106463_100000191162 [0,1,0,0,0,0|3,0,0]=4 2282 B13R0.165 CCCCSCC(=O)NNCCOC 22a_100000741390_100000191162 [0,1,0,0,0,0|2,1,0]=4 2283 B13R0.165 CCCCSCC(=O)OCCOCC 62a_100000210211_200000101388 [0,1,0,0,0,0|2,0,0]=3 2284 B13R0.165 CCCCSCC(=O)OCCOCC 62a_200000101388_100000210210 [0,1,0,0,0,0|2,0,0]=3 2285 B13R0.165 CCCOCCC(=O)CCCCCO 1458a_100102619762_100011215938 [0,1,0,0,0,0|3,0,0]=4 2286 B13R0.165 CCCOCCC(=O)COCCOC 1458a_100000211095_100011215938 [0,1,0,0,0,0|2,1,0]=4 2287 B13R0.165 CCOCCCC(=O)CCCCCO 1458a_100102619762_100012232248 [0,1,0,0,0,0|3,0,0]=4 2288 B13R0.165 CCOCCCC(=O)COCCOC 1458a_100000211095_100012232248 [0,1,0,0,0,0|2,1,0]=4 2289 B13R0.165 CCOCCNC(=O)CCCCCO 240690a_100011200944_100102619762 [0,1,0,0,0,0|3,0,0]=4 2290 B13R0.165 CCOCCNC(=O)NCCCOC 2708a_100011200944_100150723488 [0,1,0,0,0,0|2,1,0]=4 2291 B13R0.165 CCOCCNC(=O)NCCCOC 2708a_100150723488_100011200944 [0,1,0,0,0,0|2,1,0]=4 2292 B13R0.165 CCOCCNC(=O)NCCCOC 273464a_100150723488_102516460346 [0,1,0,0,0,0|2,1,0]=4 2293 B13R0.165 CCOCCNC(=O)NCCCOC 273464a_102516460346_100150723488 [0,1,0,0,0,0|2,1,0]=4 2294 B13R0.165 CCOCCNC(=O)NCCCOC 512a_100011200944_100150723488 [0,1,0,0,0,0|2,1,0]=4 2295 B13R0.165 CCOCCNC(=O)NCCCSC 2708a_100000749238_100011200944 [0,1,0,0,0,0|2,0,0]=3 2296 B13R0.165 CCOCCNC(=O)NCCCSC 2708a_100011200944_100000749238 [0,1,0,0,0,0|2,0,0]=3 2297 B13R0.165 CCOCCNC(=O)NCCCSC 273464a_100000749238_102516460346 [0,1,0,0,0,0|2,0,0]=3 2298 B13R0.165 CCOCCNC(=O)NCCCSC 273464a_102516460346_100000749238 [0,1,0,0,0,0|2,0,0]=3 2299 B13R0.165 CCOCCNC(=O)NCCCSC 512a_100000749238_100011200944 [0,1,0,0,0,0|2,0,0]=3 2300 B13R0.165 CCOCCNC(=O)NCCCSC 512a_100011200944_100000749238 [0,1,0,0,0,0|2,0,0]=3 2301 B13R0.165 CCOCCOC(=O)CNCCCF 2230a_100015189416_200000101388 [0,1,0,0,0,0|3,0,0]=4 2302 B13R0.165 CCOCCOC(=O)CNCCCF 34a_100015189416_200000101388 [0,1,0,0,0,0|3,0,0]=4 2303 B13R0.165 CCOCCOC(=O)CNCCOC 2230a_100000209980_200000101388 [0,1,0,0,0,0|3,0,0]=4 2304 B13R0.165 CCOCCOC(=O)CNCCSC 2230a_100020590264_200000101388 [0,1,0,0,0,0|3,0,0]=4 2305 B13R0.165 CCOCCOC(=O)COCCCBr 34a_100011217188_200000101388 [0,1,0,0,0,0|3,0,0]=4 2306 B13R0.165 CCOCCOC(=O)COCCCCl 34a_100000230001_200000101388 [0,1,0,0,0,0|3,0,0]=4 2307 B13R0.165 CCOCCOC(=O)COCCCF 34a_100000759539_200000101388 [0,1,0,0,0,0|3,0,0]=4 2308 B13R0.165 CCOCCOC(=O)COCCCN 34a_100000182051_200000101388 [0,1,0,0,0,0|3,0,0]=4 2309 B13R0.165 CCOCCOC(=O)COCCOC 34a_100000210237_200000101388 [0,1,0,0,0,0|3,0,0]=4 2310 B13R0.165 CCOCCOC(=O)COCCSC 34a_100000230434_200000101388 [0,1,0,0,0,0|3,0,0]=4 2311 B13R0.165 CCOCCOC(=O)COCCSC 7a_100000230434_200000101388 [0,1,0,0,0,0|3,0,0]=4 2312 B13R0.165 CCOCCOC(=O)CSCCCF 62a_100011934791_200000101388 [0,1,0,0,0,0|3,0,0]=4 2313 B13R0.165 CCOCCOC(=O)CSCCCF 62a_200000101388_100011934791 [0,1,0,0,0,0|3,0,0]=4 2314 B13R0.165 CCOCCOC(=O)CSCCCO 62a_100011215043_200000101388 [0,1,0,0,0,0|3,0,0]=4 2315 B13R0.165 CCOCCOC(=O)CSCCCO 62a_200000101388_100011215043 [0,1,0,0,0,0|3,0,0]=4 2316 B13R0.165 CCOCCOC(=O)CSCCOC 62a_100000233755_200000101388 [0,1,0,0,0,0|3,0,0]=4 2317 B13R0.165 CCOCCOC(=O)CSCCOC 62a_200000101388_100000233755 [0,1,0,0,0,0|3,0,0]=4 2318 B13R0.165 CCOCCOC(=O)CSCCSC 62a_100000212216_200000101388 [0,1,0,0,0,0|3,0,0]=4 2319 B13R0.165 CCOCCOC(=O)CSCCSC 62a_200000101388_100000751147 [0,1,0,0,0,0|3,0,0]=4 2320 B13R0.165 CCOCCOC(=O)CSCOCC 62a_100000739092_200000101388 [0,1,0,0,0,0|3,0,0]=4 2321 B13R0.165 CCOCCOC(=O)CSCOCC 62a_200000101388_100000739092 [0,1,0,0,0,0|3,0,0]=4 2322 B13R0.165 CCOCSCC(=O)NCCCOC 62a_100000183178_100000739092 [0,1,0,0,0,0|2,1,0]=4 2323 B13R0.165 CCSCCNC(=O)CCCCCO 240690a_100000106463_100102619762 [0,1,0,0,0,0|3,0,0]=4 2324 B13R0.165 CCSCCNC(=O)NCCCOC 2708a_100000106463_100150723488 [0,1,0,0,0,0|2,1,0]=4 2325 B13R0.165 CCSCCNC(=O)NCCCOC 2708a_100150723488_100000106463 [0,1,0,0,0,0|2,1,0]=4 2326 B13R0.165 CCSCCNC(=O)NCCCOC 273464a_100000106463_100150723488 [0,1,0,0,0,0|2,1,0]=4 2327 B13R0.165 CCSCCNC(=O)NCCCOC 273464a_100150723488_100000106463 [0,1,0,0,0,0|2,1,0]=4 2328 B13R0.165 CCSCCNC(=O)NCCCOC 512a_100000106463_100150723488 [0,1,0,0,0,0|2,1,0]=4 2329 B13R0.165 CCSCCNC(=O)NCCCSC 2708a_100000106463_100000749238 [0,1,0,0,0,0|2,0,0]=3 2330 B13R0.165 CCSCCNC(=O)NCCCSC 2708a_100000749238_100000106463 [0,1,0,0,0,0|2,0,0]=3 2331 B13R0.165 CCSCCNC(=O)NCCCSC 273464a_100000106463_100000749238 [0,1,0,0,0,0|2,0,0]=3 2332 B13R0.165 CCSCCNC(=O)NCCCSC 273464a_100000749238_100000106463 [0,1,0,0,0,0|2,0,0]=3 2333 B13R0.165 CCSCCNC(=O)NCCCSC 512a_100000106463_100000749238 [0,1,0,0,0,0|2,0,0]=3 2334 B13R0.165 CCSCCNC(=O)NCCCSC 512a_100000749238_100000106463 [0,1,0,0,0,0|2,0,0]=3 2335 B13R0.165 COCCCCC(=O)CCCCCO 1458a_100102619762_100000755781 [0,1,0,0,0,0|1,1,0]=3 2336 B13R0.165 COCCCCC(=O)CCOCCO 1458a_100011229844_100000755781 [0,1,0,0,0,0|2,1,0]=4 2337 B13R0.165 COCCCCC(=O)COCCOC 1458a_100000211095_100000755781 [0,1,0,0,0,0|2,1,0]=4 2338 B13R0.165 COCCCNC(=O)CCCCCO 240690a_100150723488_100102619762 [0,1,0,0,0,0|1,1,0]=3 2339 B13R0.165 COCCCNC(=O)CCOCCO 1626a_100150723488_100011229844 [0,1,0,0,0,0|2,1,0]=4 2340 B13R0.165 COCCCNC(=O)CCOCCO 240690a_100150723488_100011229844 [0,1,0,0,0,0|2,1,0]=4 2341 B13R0.165 COCCCNC(=O)CNCCCF 2230a_100015189416_100000183178 [0,1,0,0,0,0|2,1,0]=4 2342 B13R0.165 COCCCNC(=O)CNCCCF 34a_100015189416_100000183178 [0,1,0,0,0,0|2,1,0]=4 2343 B13R0.165 COCCCNC(=O)CNCCOC 2230a_100000209980_100000183178 [0,1,0,0,0,0|2,1,0]=4 2344 B13R0.165 COCCCNC(=O)CNCCSC 2230a_100020590264_100000183178 [0,1,0,0,0,0|2,1,0]=4 2345 B13R0.165 COCCCNC(=O)COCCCBr 34a_100011217188_100000183178 [0,1,0,0,0,0|2,1,0]=4 2346 B13R0.165 COCCCNC(=O)COCCCCl 34a_100000230001_100000183178 [0,1,0,0,0,0|2,1,0]=4 2347 B13R0.165 COCCCNC(=O)COCCCF 34a_100000759539_100000183178 [0,1,0,0,0,0|2,1,0]=4 2348 B13R0.165 COCCCNC(=O)COCCCN 34a_100000182051_100000183178 [0,1,0,0,0,0|2,1,0]=4 2349 B13R0.165 COCCCNC(=O)COCCOC 1626a_100150723488_100000211095 [0,1,0,0,0,0|2,1,0]=4 2350 B13R0.165 COCCCNC(=O)COCCOC 240690a_100150723488_100000211095 [0,1,0,0,0,0|2,1,0]=4 2351 B13R0.165 COCCCNC(=O)COCCOC 34a_100000210237_100000183178 [0,1,0,0,0,0|2,1,0]=4 2352 B13R0.165 COCCCNC(=O)COCCOC 527a_100150723488_100000211095 [0,1,0,0,0,0|2,1,0]=4 2353 B13R0.165 COCCCNC(=O)COCCSC 34a_100000230434_100000183178 [0,1,0,0,0,0|2,1,0]=4 2354 B13R0.165 COCCCNC(=O)COCCSC 7a_100000230434_100000183178 [0,1,0,0,0,0|2,1,0]=4 2355 B13R0.165 COCCCNC(=O)CSCCCF 62a_100000183178_100011934791 [0,1,0,0,0,0|2,1,0]=4 2356 B13R0.165 COCCCNC(=O)CSCCCO 62a_100000183178_100011215043 [0,1,0,0,0,0|2,1,0]=4 2357 B13R0.165 COCCCNC(=O)CSCCOC 62a_100000183178_100000233755 [0,1,0,0,0,0|2,1,0]=4 2358 B13R0.165 COCCCNC(=O)CSCCSC 62a_100000183178_100000751147 [0,1,0,0,0,0|2,1,0]=4 2359 B13R0.165 COCCCNC(=O)NCCCCO 2708a_100000750430_100150723488 [0,1,0,0,0,0|2,1,0]=4 2360 B13R0.165 COCCCNC(=O)NCCCCO 2708a_100150723488_100000750430 [0,1,0,0,0,0|2,1,0]=4 2361 B13R0.165 COCCCNC(=O)NCCCCO 273464a_100000750430_100150723488 [0,1,0,0,0,0|2,1,0]=4 2362 B13R0.165 COCCCNC(=O)NCCCCO 273464a_100150723488_100000750430 [0,1,0,0,0,0|2,1,0]=4 2363 B13R0.165 COCCCNC(=O)NCCCCO 512a_100000750430_100150723488 [0,1,0,0,0,0|2,1,0]=4 2364 B13R0.165 COCCCNC(=O)NCCCOC 2708a_100150723488_100150723488 [0,1,0,0,0,0|2,1,0]=4 2365 B13R0.165 COCCCNC(=O)NCCCOC 273464a_100150723488_100150723488 [0,1,0,0,0,0|2,1,0]=4 2366 B13R0.165 COCCCNC(=O)NCCCSC 2708a_100000749238_100150723488 [0,1,0,0,0,0|2,0,0]=3 2367 B13R0.165 COCCCNC(=O)NCCCSC 2708a_100150723488_100000749238 [0,1,0,0,0,0|2,0,0]=3 2368 B13R0.165 COCCCNC(=O)NCCCSC 273464a_100000749238_100150723488 [0,1,0,0,0,0|2,0,0]=3 2369 B13R0.165 COCCCNC(=O)NCCCSC 273464a_100150723488_100000749238 [0,1,0,0,0,0|2,0,0]=3 2370 B13R0.165 COCCCNC(=O)NCCCSC 512a_100000749238_100150723488 [0,1,0,0,0,0|2,0,0]=3 2371 B13R0.165 COCCNNC(=O)CCCCCO 22a_100000741390_100102619762 [0,1,0,0,0,0|2,1,0]=4 2372 B13R0.165 COCCNNC(=O)NCCCSC 273464a_100000749238_100000741390 [0,1,0,0,0,0|3,0,0]=4 2373 B13R0.165 COCCOCC(=O)CCCCCF 1458a_100000211095_100000729378 [0,1,0,0,0,0|2,1,0]=4 2374 B13R0.165 COCCOCC(=O)CCCCCO 1458a_100000211095_100000746330 [0,1,0,0,0,0|2,1,0]=4 2375 B13R0.165 COCCOCC(=O)NCCCSC 11a_100000749238_100000211095 [0,1,0,0,0,0|2,0,0]=3 2376 B13R0.165 COCCOCC(=O)NCCCSC 1626a_100000749238_100000211095 [0,1,0,0,0,0|2,0,0]=3 2377 B13R0.165 COCCOCC(=O)NCCCSC 240690a_100000749238_100000211095 [0,1,0,0,0,0|2,0,0]=3 2378 B13R0.165 COCCOCC(=O)NCCCSC 527a_100000749238_100000211095 [0,1,0,0,0,0|2,0,0]=3 2379 B13R0.165 CSCCCNC(=O)CCCCCO 240690a_100000749238_100102619762 [0,1,0,0,0,0|1,0,0]=2 2380 B13R0.165 CSCCCNC(=O)CCCN=[N+]=[N-] 11a_100000749238_100010262590 [0,1,0,0,0,0|3,0,0]=4 2381 B13R0.165 CSCCCNC(=O)CCCN=[N+]=[N-] 240690a_100000749238_100010262590 [0,1,0,0,0,0|3,0,0]=4 2382 B13R0.165 CSCCCNC(=O)CCCN=[N+]=[N-] 527a_100000749238_100010262590 [0,1,0,0,0,0|3,0,0]=4 2383 B13R0.165 CSCCCNC(=O)CCOCCO 1626a_100000749238_100011229844 [0,1,0,0,0,0|2,0,0]=3 2384 B13R0.165 CSCCCNC(=O)CCOCCO 240690a_100000749238_100011229844 [0,1,0,0,0,0|2,0,0]=3 2385 B13R0.165 CSCCCNC(=O)NCCCCO 2708a_100000749238_100000750430 [0,1,0,0,0,0|2,0,0]=3 2386 B13R0.165 CSCCCNC(=O)NCCCCO 2708a_100000750430_100000749238 [0,1,0,0,0,0|2,0,0]=3 2387 B13R0.165 CSCCCNC(=O)NCCCCO 273464a_100000749238_100000750430 [0,1,0,0,0,0|2,0,0]=3 2388 B13R0.165 CSCCCNC(=O)NCCCCO 273464a_100000750430_100000749238 [0,1,0,0,0,0|2,0,0]=3 2389 B13R0.165 CSCCCNC(=O)NCCCCO 512a_100000749238_100000750430 [0,1,0,0,0,0|2,0,0]=3 2390 B13R0.165 CSCCCNC(=O)NCCCCO 512a_100000750430_100000749238 [0,1,0,0,0,0|2,0,0]=3 2391 B13R0.165 CSCCCNC(=O)NCCCSC 2708a_100000749238_100000749238 [0,1,0,0,0,0|2,0,0]=3 2392 B13R0.165 CSCCCNC(=O)NCCCSC 273464a_100000749238_100000749238 [0,1,0,0,0,0|2,0,0]=3 2393 B13R0.165 CSCCCNC(=O)NCCCSC 512a_100000749238_100000749238 [0,1,0,0,0,0|2,0,0]=3 2394 B13R0.165 N#CCCCCC(=O)CCCCCO 1458a_100102619762_100000211819 [0,1,0,0,0,0|3,0,0]=4 2395 B13R0.165 O=C(CCCCCO)CCCCCF 1458a_100102619762_100000729378 [0,1,0,0,0,0|3,0,0]=4 2396 B13R0.165 O=C(CCCCCO)CCCCCO 1458a_100102619762_100000746330 [0,1,0,0,0,0|3,0,0]=4 2397 B13R0.165 O=C(CCCCCO)NCCCCO 240690a_100000750430_100102619762 [0,1,0,0,0,0|3,0,0]=4 2398 B13R0.188 C=C(C)CCOCC(=O)CCCCC 34a_100000764851_200012276598 [0,1,0,0,0,0|3,0,0]=4 2399 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_100000730704_200012276598 [0,1,0,0,0,0|3,0,0]=4 2400 B13R0.188 C=C(C)CCSCC(=O)CCCCC 62a_200012276598_100000730704 [0,1,0,0,0,0|3,0,0]=4 2401 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,1,0,0,0,0|3,0,0]=4 2402 B13R0.188 CC(C)CCCCC(=O)CCCCF 1458a_100011933920_100000729493 [0,1,0,0,0,0|3,0,0]=4 2403 B13R0.188 CC(C)CCCCC(=O)CCCCO 1458a_100000695505_100011216152 [0,1,0,0,0,0|3,0,0]=4 2404 B13R0.188 CC(C)CCCCC(=O)CCCCO 1458a_100011933920_100000210776 [0,1,0,0,0,0|3,0,0]=4 2405 B13R0.188 CC(C)CCCNC(=O)CCCCO 1626a_200000737386_100000695505 [0,1,0,0,0,0|3,0,0]=4 2406 B13R0.188 CCCCCC(=O)CCCCB(O)O 1458a_100000212188_200009817182 [0,1,0,0,0,0|3,0,0]=4 2407 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,1,0,0,0,0|2,0,0]=3 2408 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100000212188_100011216152 [0,1,0,0,0,0|2,0,0]=3 2409 B13R0.188 CCCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210326 [0,1,0,0,0,0|2,0,0]=3 2410 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,1,0,0,0,0|3,0,0]=4 2411 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,1,0,0,0,0|3,0,0]=4 2412 B13R0.188 CCCCCC(=O)CCCOC(=S)C 1458a_100000212188_200135323944 [0,1,0,0,0,0|3,0,0]=4 2413 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,1,0,0,0,0|3,0,0]=4 2414 B13R0.188 CCCCCC(=O)CNCCC(C)O 2230a_200000755665_200012276598 [0,1,0,0,0,0|3,0,0]=4 2415 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,1,0,0,0,0|3,0,0]=4 2416 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,1,0,0,0,0|3,0,0]=4 2417 B13R0.188 CCCCCC(=O)COCCC(C)Br 34a_100009893172_200012276598 [0,1,0,0,0,0|3,0,0]=4 2418 B13R0.188 CCCCCC(=O)COCCC(C)C 34a_100000210254_200012276598 [0,1,0,0,0,0|3,0,0]=4 2419 B13R0.188 CCCCCC(=O)COCCC(C)C 7a_100000210254_200012276598 [0,1,0,0,0,0|3,0,0]=4 2420 B13R0.188 CCCCCC(=O)COCC[C@@H](C)N 34a_100000706166_200012276598 [0,1,0,0,0,0|3,0,0]=4 2421 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,1,0,0,0,0|3,0,0]=4 2422 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,1,0,0,0,0|3,0,0]=4 2423 B13R0.188 CCCCCC(=O)CSCCC(C)C 62a_100000210312_200012276598 [0,1,0,0,0,0|3,0,0]=4 2424 B13R0.188 CCCCCC(=O)CSCCC(C)C 62a_200012276598_100000210312 [0,1,0,0,0,0|3,0,0]=4 2425 B13R0.188 CCCCCC(=O)CSCCC(C)O 62a_100012276601_200012276598 [0,1,0,0,0,0|3,0,0]=4 2426 B13R0.188 CCCCCC(=O)CSCCC(C)O 62a_200012276598_100012276601 [0,1,0,0,0,0|3,0,0]=4 2427 B13R0.188 CCCCCC(=O)CSCCN(C)C 62a_200012276598_100000755713 [0,1,0,0,0,0|3,0,0]=4 2428 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,1,0,0,0,0|3,0,0]=4 2429 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,1,0,0,0,0|3,0,0]=4 2430 B13R0.188 CCCCCC(=O)NCCCC(C)C 11a_200000737386_100000212188 [0,1,0,0,0,0|2,0,0]=3 2431 B13R0.188 CCCCCC(=O)NCCCC(C)C 1626a_200000737386_100000212188 [0,1,0,0,0,0|2,0,0]=3 2432 B13R0.188 CCCCCC(=O)NCCCC(C)C 240690a_200000737386_100000212188 [0,1,0,0,0,0|2,0,0]=3 2433 B13R0.188 CCCCCC(=O)NCCCC(C)C 527a_200000737386_100000212188 [0,1,0,0,0,0|2,0,0]=3 2434 B13R0.188 CCCCCC(=O)NCCCN(C)C 240690a_102531767803_100000212188 [0,1,0,0,0,0|2,0,0]=3 2435 B13R0.188 CCCCCC(=O)NCCCN(C)C 527a_102531767803_100000212188 [0,1,0,0,0,0|2,0,0]=3 2436 B13R0.188 CCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000212188 [0,1,0,0,0,0|1,0,1]=3 2437 B13R0.188 CCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000212188 [0,1,0,0,0,0|1,0,1]=3 2438 B13R0.188 CCCCCC(=O)NCCCS(=O)C 527a_200000753449_100000212188 [0,1,0,0,0,0|1,0,1]=3 2439 B13R0.188 CCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000212188 [0,1,0,0,0,0|3,0,0]=4 2440 B13R0.188 CCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000212188 [0,1,0,0,0,0|3,0,0]=4 2441 B13R0.188 CCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000212188 [0,1,0,0,0,0|3,0,0]=4 2442 B13R0.188 CCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000212188 [0,1,0,0,0,0|3,0,0]=4 2443 B13R0.188 CCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000212188 [0,1,0,0,0,0|3,0,0]=4 2444 B13R0.188 CCCCCC(=O)NCCOC(C)C 11a_100000701111_100000212188 [0,1,0,0,0,0|3,0,0]=4 2445 B13R0.188 CCCCCC(=O)NCCOC(C)C 1626a_100000701111_100000212188 [0,1,0,0,0,0|3,0,0]=4 2446 B13R0.188 CCCCCC(=O)NCCOC(C)C 240690a_100000701111_100000212188 [0,1,0,0,0,0|3,0,0]=4 2447 B13R0.188 CCCCCC(=O)NCCOC(C)C 527a_100000701111_100000212188 [0,1,0,0,0,0|3,0,0]=4 2448 B13R0.188 CCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000212188 [0,1,0,0,0,0|3,0,0]=4 2449 B13R0.188 CCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000212188 [0,1,0,0,0,0|3,0,0]=4 2450 B13R0.188 CCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000212188 [0,1,0,0,0,0|3,0,0]=4 2451 B13R0.188 CCCCCC(=O)NCCSC(C)C 11a_100000731138_100000212188 [0,1,0,0,0,0|3,0,0]=4 2452 B13R0.188 CCCCCC(=O)NCCSC(C)C 1626a_100000731138_100000212188 [0,1,0,0,0,0|3,0,0]=4 2453 B13R0.188 CCCCCC(=O)NCCSC(C)C 240690a_100000731138_100000212188 [0,1,0,0,0,0|3,0,0]=4 2454 B13R0.188 CCCCCC(=O)NCCSC(C)C 527a_100000731138_100000212188 [0,1,0,0,0,0|3,0,0]=4 2455 B13R0.188 CCCCCC(=O)NNCCN(C)C 22a_100000738145_100000212188 [0,1,0,0,0,0|3,0,0]=4 2456 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,1,0,0,0,0|2,0,1]=4 2457 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,1,0,0,0,0|2,0,1]=4 2458 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,1,0,0,0,0|2,0,1]=4 2459 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,1,0,0,0,0|2,0,1]=4 2460 B13R0.188 CCCCCC(C)OCCCC(C)C 34a_100000210774_200011218191 [0,1,0,0,0,0|2,0,1]=4 2461 B13R0.188 CCCCCC(C)OCCCC(C)C 34a_100011215632_100011214892 [0,1,0,0,0,0|2,0,1]=4 2462 B13R0.188 CCCCCC(C)OCCCC(C)C 7a_100000210774_200011218191 [0,1,0,0,0,0|2,0,1]=4 2463 B13R0.188 CCCCCC(C)OCCCC(C)C 7a_100011215632_100011214892 [0,1,0,0,0,0|2,0,1]=4 2464 B13R0.188 CCCCCC(C)OCCCC(C)O 34a_100011215632_200000718107 [0,1,0,0,0,0|2,0,1]=4 2465 B13R0.188 CCCCCC(C)OCCCC(C)O 7a_100011215632_200000718107 [0,1,0,0,0,0|2,0,1]=4 2466 B13R0.188 CCCCCC(C)OCCCN(C)C 7a_100011215632_100000757444 [0,1,0,0,0,0|2,0,1]=4 2467 B13R0.188 CCCCNC(=O)CCCCC(C)C 11a_100000102301_100011933920 [0,1,0,0,0,0|3,0,0]=4 2468 B13R0.188 CCCCNC(=O)CCCCC(C)C 1626a_100000102301_100011933920 [0,1,0,0,0,0|3,0,0]=4 2469 B13R0.188 CCCCNC(=O)CCCCC(C)C 240690a_100000102301_100011933920 [0,1,0,0,0,0|3,0,0]=4 2470 B13R0.188 CCCCNC(=O)CCCCC(C)C 527a_100000102301_100011933920 [0,1,0,0,0,0|3,0,0]=4 2471 B13R0.188 CCCCNC(=O)CCCCN(C)C 11a_100000102301_100000751710 [0,1,0,0,0,0|3,0,0]=4 2472 B13R0.188 CCCCNC(=O)CCCCN(C)C 240690a_100000102301_100000751710 [0,1,0,0,0,0|3,0,0]=4 2473 B13R0.188 CCCCNC(=O)CCCCN(C)C 527a_100000102301_100000751710 [0,1,0,0,0,0|3,0,0]=4 2474 B13R0.188 CCCCNC(=O)NCCCC(C)C 2708a_100000102301_200000737386 [0,1,0,0,0,0|3,0,0]=4 2475 B13R0.188 CCCCNC(=O)NCCCC(C)C 2708a_200000737386_100000102301 [0,1,0,0,0,0|3,0,0]=4 2476 B13R0.188 CCCCNC(=O)NCCCC(C)C 273464a_100000102301_200000737386 [0,1,0,0,0,0|3,0,0]=4 2477 B13R0.188 CCCCNC(=O)NCCCC(C)C 273464a_200000737386_100000102301 [0,1,0,0,0,0|3,0,0]=4 2478 B13R0.188 CCCCNC(=O)NCCCC(C)C 512a_100000102301_200000737386 [0,1,0,0,0,0|3,0,0]=4 2479 B13R0.188 CCCCNC(=O)NCCCC(C)C 512a_200000737386_100000102301 [0,1,0,0,0,0|3,0,0]=4 2480 B13R0.188 CCCCNC(=O)NCCCN(C)C 2708a_100000102301_102531767803 [0,1,0,0,0,0|3,0,0]=4 2481 B13R0.188 CCCCNC(=O)NCCCN(C)C 273464a_100000102301_102531767803 [0,1,0,0,0,0|3,0,0]=4 2482 B13R0.188 CCCCNC(=O)NCCCN(C)C 273464a_102531767803_100000102301 [0,1,0,0,0,0|3,0,0]=4 2483 B13R0.188 CCCCNC(=O)NCCCN(C)C 512a_100000102301_102531767803 [0,1,0,0,0,0|3,0,0]=4 2484 B13R0.188 CCCCNC(=O)NCCCN(C)C 512a_102531767803_100000102301 [0,1,0,0,0,0|3,0,0]=4 2485 B13R0.188 CCCCNC(=O)NCCCS(=O)C 2708a_100000102301_200000753449 [0,1,0,0,0,0|2,0,1]=4 2486 B13R0.188 CCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000102301 [0,1,0,0,0,0|2,0,1]=4 2487 B13R0.188 CCCCNC(=O)NCCCS(=O)C 273464a_100000102301_200000753449 [0,1,0,0,0,0|2,0,1]=4 2488 B13R0.188 CCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000102301 [0,1,0,0,0,0|2,0,1]=4 2489 B13R0.188 CCCCNC(=O)NCCCS(=O)C 512a_100000102301_200000753449 [0,1,0,0,0,0|2,0,1]=4 2490 B13R0.188 CCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000102301 [0,1,0,0,0,0|2,0,1]=4 2491 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,1,0,0,0,0|3,0,0]=4 2492 B13R0.188 CCCOCC(=O)CCCCC(C)C 1458a_100000745993_100011216152 [0,1,0,0,0,0|3,0,0]=4 2493 B13R0.188 CCCOCC(=O)NCCCC(C)C 11a_200000737386_100000745993 [0,1,0,0,0,0|3,0,0]=4 2494 B13R0.188 CCCOCC(=O)NCCCC(C)C 1626a_200000737386_100000745993 [0,1,0,0,0,0|3,0,0]=4 2495 B13R0.188 CCCOCC(=O)NCCCC(C)C 240690a_200000737386_100000745993 [0,1,0,0,0,0|3,0,0]=4 2496 B13R0.188 CCCOCC(=O)NCCCC(C)C 527a_200000737386_100000745993 [0,1,0,0,0,0|3,0,0]=4 2497 B13R0.188 CCCOCC(=O)NCCCN(C)C 240690a_102531767803_100000745993 [0,1,0,0,0,0|3,0,0]=4 2498 B13R0.188 CCCOCC(=O)NCCCN(C)C 527a_102531767803_100000745993 [0,1,0,0,0,0|3,0,0]=4 2499 B13R0.188 CCCOCC(=O)NCCCS(=O)C 11a_200000753449_100000745993 [0,1,0,0,0,0|2,0,1]=4 2500 B13R0.188 CCCOCC(=O)NCCCS(=O)C 240690a_200000753449_100000745993 [0,1,0,0,0,0|2,0,1]=4 2501 B13R0.188 CCCOCC(=O)NCCCS(=O)C 527a_200000753449_100000745993 [0,1,0,0,0,0|2,0,1]=4 2502 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,1,0,0,0,0|3,0,0]=4 2503 B13R0.188 CCCSCC(=O)CCCCC(C)C 1458a_100000217233_100011216152 [0,1,0,0,0,0|3,0,0]=4 2504 B13R0.188 CCCSCC(=O)NCCCC(C)C 11a_200000737386_100000217233 [0,1,0,0,0,0|3,0,0]=4 2505 B13R0.188 CCCSCC(=O)NCCCC(C)C 1626a_200000737386_100000217233 [0,1,0,0,0,0|3,0,0]=4 2506 B13R0.188 CCCSCC(=O)NCCCC(C)C 240690a_200000737386_100000217233 [0,1,0,0,0,0|3,0,0]=4 2507 B13R0.188 CCCSCC(=O)NCCCC(C)C 527a_200000737386_100000217233 [0,1,0,0,0,0|3,0,0]=4 2508 B13R0.188 CCCSCC(=O)NCCCN(C)C 240690a_102531767803_100000217233 [0,1,0,0,0,0|3,0,0]=4 2509 B13R0.188 CCCSCC(=O)NCCCN(C)C 527a_102531767803_100000217233 [0,1,0,0,0,0|3,0,0]=4 2510 B13R0.188 CCCSCC(=O)NCCCS(=O)C 11a_200000753449_100000217233 [0,1,0,0,0,0|2,0,1]=4 2511 B13R0.188 CCCSCC(=O)NCCCS(=O)C 240690a_200000753449_100000217233 [0,1,0,0,0,0|2,0,1]=4 2512 B13R0.188 CCCSCC(=O)NCCCS(=O)C 527a_200000753449_100000217233 [0,1,0,0,0,0|2,0,1]=4 2513 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,1,0,0,0,0|3,0,0]=4 2514 B13R0.188 CCOCCC(=O)CCCCC(C)C 1458a_100000749530_100011216152 [0,1,0,0,0,0|3,0,0]=4 2515 B13R0.188 CCOCCC(=O)CCCCC(C)C 1458a_100011933920_100011215890 [0,1,0,0,0,0|3,0,0]=4 2516 B13R0.188 CCOCCC(=O)NCCCC(C)C 11a_200000737386_100000749530 [0,1,0,0,0,0|3,0,0]=4 2517 B13R0.188 CCOCCC(=O)NCCCC(C)C 1626a_200000737386_100000749530 [0,1,0,0,0,0|3,0,0]=4 2518 B13R0.188 CCOCCC(=O)NCCCC(C)C 240690a_200000737386_100000749530 [0,1,0,0,0,0|3,0,0]=4 2519 B13R0.188 CCOCCC(=O)NCCCC(C)C 527a_200000737386_100000749530 [0,1,0,0,0,0|3,0,0]=4 2520 B13R0.188 CCOCCC(=O)NCCCN(C)C 240690a_102531767803_100000749530 [0,1,0,0,0,0|3,0,0]=4 2521 B13R0.188 CCOCCC(=O)NCCCN(C)C 527a_102531767803_100000749530 [0,1,0,0,0,0|3,0,0]=4 2522 B13R0.188 CCOCCC(=O)NCCCS(=O)C 11a_200000753449_100000749530 [0,1,0,0,0,0|2,0,1]=4 2523 B13R0.188 CCOCCC(=O)NCCCS(=O)C 240690a_200000753449_100000749530 [0,1,0,0,0,0|2,0,1]=4 2524 B13R0.188 CCOCCC(=O)NCCCS(=O)C 527a_200000753449_100000749530 [0,1,0,0,0,0|2,0,1]=4 2525 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,1,0,0,0,0|3,0,0]=4 2526 B13R0.188 CCSCCC(=O)CCCCC(C)C 1458a_100000230768_100011216152 [0,1,0,0,0,0|3,0,0]=4 2527 B13R0.188 CCSCCC(=O)CCCCC(C)C 1458a_100011933920_100000757381 [0,1,0,0,0,0|3,0,0]=4 2528 B13R0.188 CCSCCC(=O)NCCCC(C)C 11a_200000737386_100000230768 [0,1,0,0,0,0|3,0,0]=4 2529 B13R0.188 CCSCCC(=O)NCCCC(C)C 1626a_200000737386_100000230768 [0,1,0,0,0,0|3,0,0]=4 2530 B13R0.188 CCSCCC(=O)NCCCC(C)C 240690a_200000737386_100000230768 [0,1,0,0,0,0|3,0,0]=4 2531 B13R0.188 CCSCCC(=O)NCCCC(C)C 527a_200000737386_100000230768 [0,1,0,0,0,0|3,0,0]=4 2532 B13R0.188 CCSCCC(=O)NCCCN(C)C 240690a_102531767803_100000230768 [0,1,0,0,0,0|3,0,0]=4 2533 B13R0.188 CCSCCC(=O)NCCCN(C)C 527a_102531767803_100000230768 [0,1,0,0,0,0|3,0,0]=4 2534 B13R0.188 CCSCCC(=O)NCCCS(=O)C 11a_200000753449_100000230768 [0,1,0,0,0,0|2,0,1]=4 2535 B13R0.188 CCSCCC(=O)NCCCS(=O)C 240690a_200000753449_100000230768 [0,1,0,0,0,0|2,0,1]=4 2536 B13R0.188 CCSCCC(=O)NCCCS(=O)C 527a_200000753449_100000230768 [0,1,0,0,0,0|2,0,1]=4 2537 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,1,0,0,0,0|3,0,0]=4 2538 B13R0.188 COCCCC(=O)CCCCC(C)C 1458a_100000741012_100011216152 [0,1,0,0,0,0|3,0,0]=4 2539 B13R0.188 COCCCC(=O)CCCCC(C)C 1458a_100011933920_100000740836 [0,1,0,0,0,0|3,0,0]=4 2540 B13R0.188 COCCCC(=O)NCCCC(C)C 11a_200000737386_100000741012 [0,1,0,0,0,0|3,0,0]=4 2541 B13R0.188 COCCCC(=O)NCCCC(C)C 1626a_200000737386_100000741012 [0,1,0,0,0,0|3,0,0]=4 2542 B13R0.188 COCCCC(=O)NCCCC(C)C 240690a_200000737386_100000741012 [0,1,0,0,0,0|3,0,0]=4 2543 B13R0.188 COCCCC(=O)NCCCC(C)C 527a_200000737386_100000741012 [0,1,0,0,0,0|3,0,0]=4 2544 B13R0.188 COCCCC(=O)NCCCN(C)C 240690a_102531767803_100000741012 [0,1,0,0,0,0|3,0,0]=4 2545 B13R0.188 COCCCC(=O)NCCCN(C)C 527a_102531767803_100000741012 [0,1,0,0,0,0|3,0,0]=4 2546 B13R0.188 COCCCC(=O)NCCCS(=O)C 11a_200000753449_100000741012 [0,1,0,0,0,0|2,0,1]=4 2547 B13R0.188 COCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000741012 [0,1,0,0,0,0|2,0,1]=4 2548 B13R0.188 COCCCC(=O)NCCCS(=O)C 527a_200000753449_100000741012 [0,1,0,0,0,0|2,0,1]=4 2549 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,1,0,0,0,0|3,0,0]=4 2550 B13R0.188 CSCCCC(=O)CCCCC(C)C 1458a_100000173376_100011216152 [0,1,0,0,0,0|3,0,0]=4 2551 B13R0.188 CSCCCC(=O)NCCCC(C)C 11a_200000737386_100000173376 [0,1,0,0,0,0|3,0,0]=4 2552 B13R0.188 CSCCCC(=O)NCCCC(C)C 1626a_200000737386_100000173376 [0,1,0,0,0,0|3,0,0]=4 2553 B13R0.188 CSCCCC(=O)NCCCC(C)C 240690a_200000737386_100000173376 [0,1,0,0,0,0|3,0,0]=4 2554 B13R0.188 CSCCCC(=O)NCCCC(C)C 527a_200000737386_100000173376 [0,1,0,0,0,0|3,0,0]=4 2555 B13R0.188 CSCCCC(=O)NCCCN(C)C 240690a_102531767803_100000173376 [0,1,0,0,0,0|3,0,0]=4 2556 B13R0.188 CSCCCC(=O)NCCCN(C)C 527a_102531767803_100000173376 [0,1,0,0,0,0|3,0,0]=4 2557 B13R0.188 CSCCCC(=O)NCCCS(=O)C 11a_200000753449_100000173376 [0,1,0,0,0,0|2,0,1]=4 2558 B13R0.188 CSCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000173376 [0,1,0,0,0,0|2,0,1]=4 2559 B13R0.188 CSCCCC(=O)NCCCS(=O)C 527a_200000753449_100000173376 [0,1,0,0,0,0|2,0,1]=4 2560 B13R0.193 CCCCCC(=O)CNC(C)CCC 2230a_100000741246_200012276598 [0,1,0,0,0,0|3,0,0]=4 2561 B13R0.193 CCCCCC(=O)CN[C@H](C)COC 2230a_100000764878_200012276598 [0,1,0,0,0,0|2,1,0]=4 2562 B13R0.193 CCCCCC(=O)COC(C)CCC 34a_100000764384_200012276598 [0,1,0,0,0,0|3,0,0]=4 2563 B13R0.193 CCCCCC(=O)COC(C)CCC 7a_100000764384_200012276598 [0,1,0,0,0,0|3,0,0]=4 2564 B13R0.193 CCCCCC(=O)CO[C@H](C)COC 34a_100011934205_200012276598 [0,1,0,0,0,0|2,1,0]=4 2565 B13R0.193 CCCCCC(=O)CSC(C)CCC 62a_100000766640_200012276598 [0,1,0,0,0,0|3,0,0]=4 2566 B13R0.193 CCCCCC(=O)CSC(C)CCC 62a_200012276598_100000766640 [0,1,0,0,0,0|3,0,0]=4 2567 B13R0.193 CCCCCC(=O)CSC(C)COC 62a_100000765312_200012276598 [0,1,0,0,0,0|2,1,0]=4 2568 B13R0.193 CCCCCC(=O)CSC(C)COC 62a_200012276598_100000765312 [0,1,0,0,0,0|2,1,0]=4 2569 B13R0.193 CCCCCC(=O)NCC(O)COC 240690a_100000756049_100000212188 [0,1,0,0,0,0|1,1,0]=3 2570 B13R0.193 CCCCCC(=O)NCC(O)COC 527a_100000756049_100000212188 [0,1,0,0,0,0|1,1,0]=3 2571 B13R0.193 CCCCCC(=O)NN=C(C)CSC 4a_100000189784_100011216314 [0,1,0,0,0,0|2,0,1]=4 2572 B13R0.193 CCCCCC(=O)NNC(=O)CSC 22a_100000189784_100000184570 [0,1,0,0,0,0|2,0,1]=4 2573 B13R0.193 CCCCCC(C)OCC(C)CCC 34a_100000688023_200011218191 [0,1,0,0,0,0|2,0,1]=4 2574 B13R0.193 CCCCCC(C)OCC(C)CCC 34a_100011215632_100011216630 [0,1,0,0,0,0|2,0,1]=4 2575 B13R0.193 CCCCCC(C)OCC(C)CCC 7a_100000688023_200011218191 [0,1,0,0,0,0|2,0,1]=4 2576 B13R0.193 CCCCCC(C)OCC(C)CCC 7a_100011215632_100011216630 [0,1,0,0,0,0|2,0,1]=4 2577 B13R0.193 CCCCCC(C)OCC(N)COC 34a_100000724102_200011218191 [0,1,0,0,0,0|1,1,1]=4 2578 B13R0.193 CCCCCC(C)OCC(O)COC 34a_100011215632_100011215053 [0,1,0,0,0,0|1,1,1]=4 2579 B13R0.193 CCCCCC(C)OCC(O)COC 7a_100011215632_100011215053 [0,1,0,0,0,0|1,1,1]=4 2580 B13R0.193 CCCCCC(C)OC[C@@H](N)CCC 34a_100000732646_200011218191 [0,1,0,0,0,0|2,0,1]=4 2581 B13R0.193 CCCCNC(=O)NCC(O)COC 2708a_100000102301_100000756049 [0,1,0,0,0,0|2,1,0]=4 2582 B13R0.193 CCCCNC(=O)NCC(O)COC 273464a_100000102301_100000756049 [0,1,0,0,0,0|2,1,0]=4 2583 B13R0.193 CCCCNC(=O)NCC(O)COC 273464a_100000756049_100000102301 [0,1,0,0,0,0|2,1,0]=4 2584 B13R0.193 CCCCNC(=O)NCC(O)COC 512a_100000102301_100000756049 [0,1,0,0,0,0|2,1,0]=4 2585 B13R0.193 CCCCNC(=O)NCC(O)COC 512a_100000756049_100000102301 [0,1,0,0,0,0|2,1,0]=4 2586 B13R0.193 CCCOCC(=O)NCC(O)COC 240690a_100000756049_100000745993 [0,1,0,0,0,0|2,1,0]=4 2587 B13R0.193 CCCOCC(=O)NCC(O)COC 527a_100000756049_100000745993 [0,1,0,0,0,0|2,1,0]=4 2588 B13R0.193 CCCSCC(=O)NCC(O)COC 240690a_100000756049_100000217233 [0,1,0,0,0,0|2,1,0]=4 2589 B13R0.193 CCCSCC(=O)NCC(O)COC 527a_100000756049_100000217233 [0,1,0,0,0,0|2,1,0]=4 2590 B13R0.193 CCOCCC(=O)NCC(O)COC 240690a_100000756049_100000749530 [0,1,0,0,0,0|2,1,0]=4 2591 B13R0.193 CCOCCC(=O)NCC(O)COC 527a_100000756049_100000749530 [0,1,0,0,0,0|2,1,0]=4 2592 B13R0.193 CCSCCC(=O)NCC(O)COC 240690a_100000756049_100000230768 [0,1,0,0,0,0|2,1,0]=4 2593 B13R0.193 CCSCCC(=O)NCC(O)COC 527a_100000756049_100000230768 [0,1,0,0,0,0|2,1,0]=4 2594 B13R0.193 COCC(O)CNC(=O)CCCSC 240690a_100000756049_100000173376 [0,1,0,0,0,0|2,1,0]=4 2595 B13R0.193 COCC(O)CNC(=O)CCCSC 527a_100000756049_100000173376 [0,1,0,0,0,0|2,1,0]=4 2596 B13R0.193 COCCCC(=O)NCC(O)COC 240690a_100000756049_100000741012 [0,1,0,0,0,0|2,1,0]=4 2597 B13R0.193 COCCCC(=O)NCC(O)COC 527a_100000756049_100000741012 [0,1,0,0,0,0|2,1,0]=4 2598 B13R0.194 CCC(C)CCNC(=O)CCCCO 1626a_100020591266_100000695505 [0,1,0,0,0,0|3,0,0]=4 2599 B13R0.194 CCC(C)CCNC(=O)CCCOC 11a_100020591266_100000741012 [0,1,0,0,0,0|3,0,0]=4 2600 B13R0.194 CCC(C)CCNC(=O)CCCOC 1626a_100020591266_100000741012 [0,1,0,0,0,0|3,0,0]=4 2601 B13R0.194 CCC(C)CCNC(=O)CCCOC 240690a_100020591266_100000741012 [0,1,0,0,0,0|3,0,0]=4 2602 B13R0.194 CCC(C)CCNC(=O)CCCOC 527a_100020591266_100000741012 [0,1,0,0,0,0|3,0,0]=4 2603 B13R0.194 CCC(C)CCNC(=O)CCCSC 11a_100020591266_100000173376 [0,1,0,0,0,0|3,0,0]=4 2604 B13R0.194 CCC(C)CCNC(=O)CCCSC 1626a_100020591266_100000173376 [0,1,0,0,0,0|3,0,0]=4 2605 B13R0.194 CCC(C)CCNC(=O)CCCSC 240690a_100020591266_100000173376 [0,1,0,0,0,0|3,0,0]=4 2606 B13R0.194 CCC(C)CCNC(=O)CCCSC 527a_100020591266_100000173376 [0,1,0,0,0,0|3,0,0]=4 2607 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,1,0,0,0,0|2,0,1]=4 2608 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,1,0,0,0,0|1,1,1]=4 2609 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,1,0,0,0,0|1,1,1]=4 2610 B13R0.194 CCCCCC(=O)CCCN(C)CC 1458a_100000212188_100015186262 [0,1,0,0,0,0|3,0,0]=4 2611 B13R0.194 CCCCCC(=O)CNCC(C)CC 2230a_100020588543_200012276598 [0,1,0,0,0,0|3,0,0]=4 2612 B13R0.194 CCCCCC(=O)CNCC(O)CC 2230a_100011218483_200012276598 [0,1,0,0,0,0|3,0,0]=4 2613 B13R0.194 CCCCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_200012276598 [0,1,0,0,0,0|2,1,0]=4 2614 B13R0.194 CCCCCC(=O)COCC(C)OC 34a_100000690652_200012276598 [0,1,0,0,0,0|2,1,0]=4 2615 B13R0.194 CCCCCC(=O)COC[C@@H](C)CC 7a_100009816381_200012276598 [0,1,0,0,0,0|3,0,0]=4 2616 B13R0.194 CCCCCC(=O)CSCC(C)CC 62a_100000748023_200012276598 [0,1,0,0,0,0|3,0,0]=4 2617 B13R0.194 CCCCCC(=O)CSCC(C)CC 62a_200012276598_100000748023 [0,1,0,0,0,0|3,0,0]=4 2618 B13R0.194 CCCCCC(=O)CSCC(O)CC 62a_100011218378_200012276598 [0,1,0,0,0,0|3,0,0]=4 2619 B13R0.194 CCCCCC(=O)CSCC(O)CC 62a_200012276598_100011218378 [0,1,0,0,0,0|3,0,0]=4 2620 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CC 62a_100009816398_200012276598 [0,1,0,0,0,0|3,0,0]=4 2621 B13R0.194 CCCCCC(=O)CSC[C@@H](C)CC 62a_200012276598_100009816398 [0,1,0,0,0,0|3,0,0]=4 2622 B13R0.194 CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000212188 [0,1,0,0,0,0|2,0,1]=4 2623 B13R0.194 CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000212188 [0,1,0,0,0,0|2,0,1]=4 2624 B13R0.194 CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000212188 [0,1,0,0,0,0|2,0,1]=4 2625 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [0,1,0,0,0,0|1,1,1]=4 2626 B13R0.194 CCCCCC(=O)NCCC(C)CC 11a_100020591266_100000212188 [0,1,0,0,0,0|2,0,0]=3 2627 B13R0.194 CCCCCC(=O)NCCC(C)CC 1626a_100020591266_100000212188 [0,1,0,0,0,0|2,0,0]=3 2628 B13R0.194 CCCCCC(=O)NCCC(C)CC 240690a_100020591266_100000212188 [0,1,0,0,0,0|2,0,0]=3 2629 B13R0.194 CCCCCC(=O)NCCC(C)CC 527a_100020591266_100000212188 [0,1,0,0,0,0|2,0,0]=3 2630 B13R0.194 CCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000212188 [0,1,0,0,0,0|3,0,0]=4 2631 B13R0.194 CCCCCC(=O)NCCC(C)CO 527a_106354213184_100000212188 [0,1,0,0,0,0|3,0,0]=4 2632 B13R0.194 CCCCCC(=O)NNCC(O)CC 22a_100015206393_100000212188 [0,1,0,0,0,0|3,0,0]=4 2633 B13R0.194 CCCCCC(C)OCCC(C)CC 7a_100011215188_200011218191 [0,1,0,0,0,0|2,0,1]=4 2634 B13R0.194 CCCCCC(C)OCCC(C)OC 7a_100000764861_200011218191 [0,1,0,0,0,0|1,1,1]=4 2635 B13R0.194 CCCCNC(=O)NCCC(C)CC 2708a_100000102301_100020591266 [0,1,0,0,0,0|3,0,0]=4 2636 B13R0.194 CCCCNC(=O)NCCC(C)CC 2708a_100020591266_100000102301 [0,1,0,0,0,0|3,0,0]=4 2637 B13R0.194 CCCCNC(=O)NCCC(C)CC 273464a_100000102301_100020591266 [0,1,0,0,0,0|3,0,0]=4 2638 B13R0.194 CCCCNC(=O)NCCC(C)CC 273464a_100020591266_100000102301 [0,1,0,0,0,0|3,0,0]=4 2639 B13R0.194 CCCCNC(=O)NCCC(C)CC 512a_100000102301_100020591266 [0,1,0,0,0,0|3,0,0]=4 2640 B13R0.194 CCCCNC(=O)NCCC(C)CC 512a_100020591266_100000102301 [0,1,0,0,0,0|3,0,0]=4 2641 B13R0.194 CCCOCC(=O)NCCC(C)CC 11a_100020591266_100000745993 [0,1,0,0,0,0|3,0,0]=4 2642 B13R0.194 CCCOCC(=O)NCCC(C)CC 1626a_100020591266_100000745993 [0,1,0,0,0,0|3,0,0]=4 2643 B13R0.194 CCCOCC(=O)NCCC(C)CC 240690a_100020591266_100000745993 [0,1,0,0,0,0|3,0,0]=4 2644 B13R0.194 CCCOCC(=O)NCCC(C)CC 527a_100020591266_100000745993 [0,1,0,0,0,0|3,0,0]=4 2645 B13R0.194 CCCSCC(=O)NCCC(C)CC 11a_100020591266_100000217233 [0,1,0,0,0,0|3,0,0]=4 2646 B13R0.194 CCCSCC(=O)NCCC(C)CC 1626a_100020591266_100000217233 [0,1,0,0,0,0|3,0,0]=4 2647 B13R0.194 CCCSCC(=O)NCCC(C)CC 240690a_100020591266_100000217233 [0,1,0,0,0,0|3,0,0]=4 2648 B13R0.194 CCCSCC(=O)NCCC(C)CC 527a_100020591266_100000217233 [0,1,0,0,0,0|3,0,0]=4 2649 B13R0.194 CCOCCC(=O)NCCC(C)CC 11a_100020591266_100000749530 [0,1,0,0,0,0|3,0,0]=4 2650 B13R0.194 CCOCCC(=O)NCCC(C)CC 1626a_100020591266_100000749530 [0,1,0,0,0,0|3,0,0]=4 2651 B13R0.194 CCOCCC(=O)NCCC(C)CC 240690a_100020591266_100000749530 [0,1,0,0,0,0|3,0,0]=4 2652 B13R0.194 CCOCCC(=O)NCCC(C)CC 527a_100020591266_100000749530 [0,1,0,0,0,0|3,0,0]=4 2653 B13R0.194 CCSCCC(=O)NCCC(C)CC 11a_100020591266_100000230768 [0,1,0,0,0,0|3,0,0]=4 2654 B13R0.194 CCSCCC(=O)NCCC(C)CC 1626a_100020591266_100000230768 [0,1,0,0,0,0|3,0,0]=4 2655 B13R0.194 CCSCCC(=O)NCCC(C)CC 240690a_100020591266_100000230768 [0,1,0,0,0,0|3,0,0]=4 2656 B13R0.194 CCSCCC(=O)NCCC(C)CC 527a_100020591266_100000230768 [0,1,0,0,0,0|3,0,0]=4 2657 B13R0.195 CCCCC(C)NC(=O)CCCCO 1626a_100000126638_100000695505 [0,1,0,0,0,0|3,0,0]=4 2658 B13R0.195 CCCCC(C)NC(=O)CCCOC 11a_100000126638_100000741012 [0,1,0,0,0,0|3,0,0]=4 2659 B13R0.195 CCCCC(C)NC(=O)CCCOC 1626a_100000126638_100000741012 [0,1,0,0,0,0|3,0,0]=4 2660 B13R0.195 CCCCC(C)NC(=O)CCCOC 240690a_100000126638_100000741012 [0,1,0,0,0,0|3,0,0]=4 2661 B13R0.195 CCCCC(C)NC(=O)CCCOC 527a_100000126638_100000741012 [0,1,0,0,0,0|3,0,0]=4 2662 B13R0.195 CCCCC(C)NC(=O)CCCSC 11a_100000126638_100000173376 [0,1,0,0,0,0|3,0,0]=4 2663 B13R0.195 CCCCC(C)NC(=O)CCCSC 1626a_100000126638_100000173376 [0,1,0,0,0,0|3,0,0]=4 2664 B13R0.195 CCCCC(C)NC(=O)CCCSC 240690a_100000126638_100000173376 [0,1,0,0,0,0|3,0,0]=4 2665 B13R0.195 CCCCC(C)NC(=O)CCCSC 527a_100000126638_100000173376 [0,1,0,0,0,0|3,0,0]=4 2666 B13R0.195 CCCCC(C)NC(=O)CCOCC 11a_100000126638_100000749530 [0,1,0,0,0,0|3,0,0]=4 2667 B13R0.195 CCCCC(C)NC(=O)CCOCC 1626a_100000126638_100000749530 [0,1,0,0,0,0|3,0,0]=4 2668 B13R0.195 CCCCC(C)NC(=O)CCOCC 240690a_100000126638_100000749530 [0,1,0,0,0,0|3,0,0]=4 2669 B13R0.195 CCCCC(C)NC(=O)CCOCC 527a_100000126638_100000749530 [0,1,0,0,0,0|3,0,0]=4 2670 B13R0.195 CCCCC(C)NC(=O)CCSCC 11a_100000126638_100000230768 [0,1,0,0,0,0|3,0,0]=4 2671 B13R0.195 CCCCC(C)NC(=O)CCSCC 1626a_100000126638_100000230768 [0,1,0,0,0,0|3,0,0]=4 2672 B13R0.195 CCCCC(C)NC(=O)CCSCC 240690a_100000126638_100000230768 [0,1,0,0,0,0|3,0,0]=4 2673 B13R0.195 CCCCC(C)NC(=O)CCSCC 527a_100000126638_100000230768 [0,1,0,0,0,0|3,0,0]=4 2674 B13R0.195 CCCCC(C)NC(=O)COCCC 11a_100000126638_100000745993 [0,1,0,0,0,0|3,0,0]=4 2675 B13R0.195 CCCCC(C)NC(=O)COCCC 1626a_100000126638_100000745993 [0,1,0,0,0,0|3,0,0]=4 2676 B13R0.195 CCCCC(C)NC(=O)COCCC 240690a_100000126638_100000745993 [0,1,0,0,0,0|3,0,0]=4 2677 B13R0.195 CCCCC(C)NC(=O)COCCC 527a_100000126638_100000745993 [0,1,0,0,0,0|3,0,0]=4 2678 B13R0.195 CCCCC(C)NC(=O)CSCCC 11a_100000126638_100000217233 [0,1,0,0,0,0|3,0,0]=4 2679 B13R0.195 CCCCC(C)NC(=O)CSCCC 1626a_100000126638_100000217233 [0,1,0,0,0,0|3,0,0]=4 2680 B13R0.195 CCCCC(C)NC(=O)CSCCC 240690a_100000126638_100000217233 [0,1,0,0,0,0|3,0,0]=4 2681 B13R0.195 CCCCC(C)NC(=O)CSCCC 527a_100000126638_100000217233 [0,1,0,0,0,0|3,0,0]=4 2682 B13R0.195 CCCCCC(=O)CC(=O)CCCC 1458a_100000210183_200012276598 [0,1,0,0,0,0|2,0,1]=4 2683 B13R0.195 CCCCCC(=O)CC(=O)CCOC 1458a_100000749529_200012276598 [0,1,0,0,0,0|1,1,1]=4 2684 B13R0.195 CCCCCC(=O)CC(=O)CCSC 1458a_100000174002_200012276598 [0,1,0,0,0,0|1,0,1]=3 2685 B13R0.195 CCCCCC(=O)CN(C)CCCC 2230a_100000207549_200012276598 [0,1,0,0,0,0|3,0,0]=4 2686 B13R0.195 CCCCCC(=O)CN(C)CCCC 269982a_100000207549_200012276598 [0,1,0,0,0,0|3,0,0]=4 2687 B13R0.195 CCCCCC(=O)CN(C)CCOC 2230a_100000743101_200012276598 [0,1,0,0,0,0|2,1,0]=4 2688 B13R0.195 CCCCCC(=O)CN(C)CCOC 269982a_100000743101_200012276598 [0,1,0,0,0,0|2,1,0]=4 2689 B13R0.195 CCCCCC(=O)CN(C)CCSC 2230a_100000686725_200012276598 [0,1,0,0,0,0|2,0,0]=3 2690 B13R0.195 CCCCCC(=O)CN(C)CCSC 269982a_100000686725_200012276598 [0,1,0,0,0,0|2,0,0]=3 2691 B13R0.195 CCCCCC(=O)NC(C)CCCC 11a_100000126638_100000212188 [0,1,0,0,0,0|2,0,0]=3 2692 B13R0.195 CCCCCC(=O)NC(C)CCCC 1626a_100000126638_100000212188 [0,1,0,0,0,0|2,0,0]=3 2693 B13R0.195 CCCCCC(=O)NC(C)CCCC 240690a_100000126638_100000212188 [0,1,0,0,0,0|2,0,0]=3 2694 B13R0.195 CCCCCC(=O)NC(C)CCCC 527a_100000126638_100000212188 [0,1,0,0,0,0|2,0,0]=3 2695 B13R0.195 CCCCCC(C)NC(C)CCSC 270004a_100000211957_100011217047 [0,1,0,0,0,0|2,0,1]=4 2696 B13R0.195 CCCCCC(C)OC(C)CCCC 34a_100000687866_200011218191 [0,1,0,0,0,0|2,0,1]=4 2697 B13R0.195 CCCCCC(C)OC(C)CCCC 34a_100011215632_200011215066 [0,1,0,0,0,0|2,0,1]=4 2698 B13R0.195 CCCCCC(C)OC(C)CCCC 7a_100000687866_200011218191 [0,1,0,0,0,0|2,0,1]=4 2699 B13R0.195 CCCCCC(C)OC(C)CCCC 7a_100011215632_200011215066 [0,1,0,0,0,0|2,0,1]=4 2700 B13R0.195 CCCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000182744 [0,1,0,0,0,0|2,0,1]=4 2701 B13R0.195 CCCCNC(=O)CN(C)CCSC 2230a_100000686725_100000182744 [0,1,0,0,0,0|3,0,0]=4 2702 B13R0.195 CCCCNC(=O)CN(C)CCSC 2230a_200000213093_100000751147 [0,1,0,0,0,0|3,0,0]=4 2703 B13R0.195 CCCCNC(=O)CN(C)CCSC 269982a_100000686725_100000182744 [0,1,0,0,0,0|3,0,0]=4 2704 B13R0.195 CCCCNC(=O)CN(C)CCSC 269982a_200000213093_100000212216 [0,1,0,0,0,0|3,0,0]=4 2705 B13R0.195 CCCCNC(=O)NC(C)CCCC 2708a_100000102301_100000126638 [0,1,0,0,0,0|3,0,0]=4 2706 B13R0.195 CCCCNC(=O)NC(C)CCCC 2708a_100000126638_100000102301 [0,1,0,0,0,0|3,0,0]=4 2707 B13R0.195 CCCCNC(=O)NC(C)CCCC 273464a_100000102301_100000126638 [0,1,0,0,0,0|3,0,0]=4 2708 B13R0.195 CCCCNC(=O)NC(C)CCCC 273464a_100000126638_100000102301 [0,1,0,0,0,0|3,0,0]=4 2709 B13R0.195 CCCCNC(=O)NC(C)CCCC 512a_100000102301_100000126638 [0,1,0,0,0,0|3,0,0]=4 2710 B13R0.195 CCCCNC(=O)NC(C)CCCC 512a_100000126638_100000102301 [0,1,0,0,0,0|3,0,0]=4 2711 B13R0.195 CCCCOC(=O)CC(=O)CCSC 1458a_100000174002_100000211628 [0,1,0,0,0,0|2,0,1]=4 2712 B13R0.195 CCCCOC(=O)CN(C)CCSC 2230a_100000686725_100000211628 [0,1,0,0,0,0|3,0,0]=4 2713 B13R0.195 CCCCOC(=O)CN(C)CCSC 269982a_100000686725_100000211628 [0,1,0,0,0,0|3,0,0]=4 2714 B13R0.278 C#CC(CCCCC)OCCCCC 34a_100011216489_100000718602 [0,1,0,0,0,0|2,0,1]=4 2715 B13R0.278 C#CC(CCCCC)OCCCCC 7a_100011216489_100000210326 [0,1,0,0,0,0|2,0,1]=4 2716 B13R0.278 C#CC(CCCCC)OCCCOC 34a_100011216489_100000740836 [0,1,0,0,0,0|1,1,1]=4 2717 B13R0.278 C#CC(CCCCC)OCCCOC 7a_100011216489_100000740836 [0,1,0,0,0,0|1,1,1]=4 2718 B13R0.278 C=CC(CCCCC)OCCCCC 34a_100011216863_100000718602 [0,1,0,0,0,0|2,0,1]=4 2719 B13R0.278 C=CC(CCCCC)OCCCCC 7a_100011216863_100000210326 [0,1,0,0,0,0|2,0,1]=4 2720 B13R0.278 C=CC(CCCCC)OCCCOC 34a_100011216863_100000740836 [0,1,0,0,0,0|1,1,1]=4 2721 B13R0.278 C=CC(CCCCC)OCCCOC 7a_100011216863_100000740836 [0,1,0,0,0,0|1,1,1]=4 2722 B13R0.278 CCCCCC(CC)NCCCSC 270004a_100000749238_100011215316 [0,1,0,0,0,0|2,0,1]=4 2723 B13R0.278 CCCCCC(CC)OCCCOC 34a_100011215405_100000740836 [0,1,0,0,0,0|1,1,1]=4 2724 B13R0.278 CCCCCC(CC)OCCCOC 7a_100011215405_100000740836 [0,1,0,0,0,0|1,1,1]=4 2725 B13R0.278 CCCCCOC(CC)CCCCC 34a_100011215405_100000718602 [0,1,0,0,0,0|2,0,1]=4 2726 B13R0.278 CCCCCOC(CC)CCCCC 7a_100011215405_100000210326 [0,1,0,0,0,0|2,0,1]=4 2727 B13R0.330 C#CCCCCC(=O)CC(C)CCC 1458a_100000696528_100011216630 [0,1,0,0,0,0|2,0,1]=4 2728 B13R0.330 C#CCCCCC(=O)CC(C)CCC 1458a_100000748435_100010269958 [0,1,0,0,0,0|2,0,1]=4 2729 B13R0.330 C#CCCCNC(=O)CC(C)CCC 11a_100000718082_100000748435 [0,1,0,0,0,0|2,0,1]=4 2730 B13R0.330 C#CCCCNC(=O)CC(C)CCC 1626a_100000718082_100000748435 [0,1,0,0,0,0|2,0,1]=4 2731 B13R0.330 C#CCCCNC(=O)CC(C)CCC 240690a_100000718082_100000748435 [0,1,0,0,0,0|2,0,1]=4 2732 B13R0.330 C#CCCCNC(=O)CC(C)CCC 527a_100000718082_100000748435 [0,1,0,0,0,0|2,0,1]=4 2733 B13R0.330 C=C(CCC)CC(=O)CCCCCC 1458a_100000138376_100000210757 [0,1,0,0,0,0|2,0,1]=4 2734 B13R0.330 C=C(CCC)CC(=O)CCCCOC 1458a_100000138376_100000755781 [0,1,0,0,0,0|1,1,1]=4 2735 B13R0.330 C=C(CCC)CC(=O)NCCCCC 11a_100000209983_100000138376 [0,1,0,0,0,0|2,0,1]=4 2736 B13R0.330 C=C(CCC)CC(=O)NCCCCC 240690a_100000209983_100000138376 [0,1,0,0,0,0|2,0,1]=4 2737 B13R0.330 C=C(CCC)CC(=O)NCCCCC 527a_100000209983_100000138376 [0,1,0,0,0,0|2,0,1]=4 2738 B13R0.330 C=C(CCC)CC(=O)NCCCOC 240690a_100150723488_100000138376 [0,1,0,0,0,0|1,1,1]=4 2739 B13R0.330 C=C(CCC)CC(=O)NCCCOC 527a_100150723488_100000138376 [0,1,0,0,0,0|1,1,1]=4 2740 B13R0.330 C=C(CCC)CC(=O)NCCCSC 11a_100000749238_100000138376 [0,1,0,0,0,0|1,0,1]=3 2741 B13R0.330 C=C(CCC)CC(=O)NCCCSC 240690a_100000749238_100000138376 [0,1,0,0,0,0|1,0,1]=3 2742 B13R0.330 C=C(CCC)CC(=O)NCCCSC 527a_100000749238_100000138376 [0,1,0,0,0,0|1,0,1]=3 2743 B13R0.330 C=CCCCCC(=O)CC(C)CCC 1458a_100000748435_100011215482 [0,1,0,0,0,0|2,0,1]=4 2744 B13R0.330 C=CCCCCC(=O)CC(C)CCC 1458a_100011215552_100011216630 [0,1,0,0,0,0|2,0,1]=4 2745 B13R0.330 C=CCCCNC(=O)CC(C)CCC 11a_100000700776_100000748435 [0,1,0,0,0,0|2,0,1]=4 2746 B13R0.330 C=CCCCNC(=O)CC(C)CCC 1626a_100000700776_100000748435 [0,1,0,0,0,0|2,0,1]=4 2747 B13R0.330 C=CCCCNC(=O)CC(C)CCC 240690a_100000700776_100000748435 [0,1,0,0,0,0|2,0,1]=4 2748 B13R0.330 C=CCCCNC(=O)CC(C)CCC 527a_100000700776_100000748435 [0,1,0,0,0,0|2,0,1]=4 2749 B13R0.330 CCCC(=CC(=O)NCCCSC)C 11a_100000749238_100020676950 [0,1,0,0,0,0|1,0,2]=4 2750 B13R0.330 CCCC(=CC(=O)NCCCSC)C 1626a_100000749238_100020676950 [0,1,0,0,0,0|1,0,2]=4 2751 B13R0.330 CCCC(=CC(=O)NCCCSC)C 240690a_100000749238_100020676950 [0,1,0,0,0,0|1,0,2]=4 2752 B13R0.330 CCCC(=O)CC(=O)NCCCOC 1458a_100000211992_100000183178 [0,1,0,0,0,0|1,1,1]=4 2753 B13R0.330 CCCC(=O)CC(=O)OCCOCC 1458a_100000211992_200000101388 [0,1,0,0,0,0|2,0,1]=4 2754 B13R0.330 CCCC(C)CC(=O)CCCCC#N 1458a_100000748435_100000211819 [0,1,0,0,0,0|3,0,0]=4 2755 B13R0.330 CCCC(C)CC(=O)CCCCCF 1458a_100000748435_100000729378 [0,1,0,0,0,0|3,0,0]=4 2756 B13R0.330 CCCC(C)CC(=O)CCCCCO 1458a_100000748435_100000746330 [0,1,0,0,0,0|3,0,0]=4 2757 B13R0.330 CCCC(C)CC(=O)CCCCCO 1458a_100102619762_100011216630 [0,1,0,0,0,0|3,0,0]=4 2758 B13R0.330 CCCC(C)CC(=O)CCCCOC 1458a_100000748435_100000755781 [0,1,0,0,0,0|1,1,0]=3 2759 B13R0.330 CCCC(C)CC(=O)CCCOCC 1458a_100000748435_100012232248 [0,1,0,0,0,0|3,0,0]=4 2760 B13R0.330 CCCC(C)CC(=O)COCCOC 1458a_100000211095_100011216630 [0,1,0,0,0,0|2,1,0]=4 2761 B13R0.330 CCCC(C)CC(=O)NCCCCO 240690a_100000750430_100000748435 [0,1,0,0,0,0|3,0,0]=4 2762 B13R0.330 CCCC(C)CC(=O)NCCCCO 527a_100000750430_100000748435 [0,1,0,0,0,0|3,0,0]=4 2763 B13R0.330 CCCC(C)CC(=O)NCCCOC 1626a_100150723488_100000748435 [0,1,0,0,0,0|1,1,0]=3 2764 B13R0.330 CCCC(C)CC(=O)NCCCOC 240690a_100150723488_100000748435 [0,1,0,0,0,0|1,1,0]=3 2765 B13R0.330 CCCC(C)CC(=O)NCCCOC 527a_100150723488_100000748435 [0,1,0,0,0,0|1,1,0]=3 2766 B13R0.330 CCCC(C)CC(=O)NCCCSC 11a_100000749238_100000748435 [0,1,0,0,0,0|1,0,0]=2 2767 B13R0.330 CCCC(C)CC(=O)NCCCSC 1626a_100000749238_100000748435 [0,1,0,0,0,0|1,0,0]=2 2768 B13R0.330 CCCC(C)CC(=O)NCCCSC 240690a_100000749238_100000748435 [0,1,0,0,0,0|1,0,0]=2 2769 B13R0.330 CCCC(C)CC(=O)NCCCSC 527a_100000749238_100000748435 [0,1,0,0,0,0|1,0,0]=2 2770 B13R0.330 CCCC(C)CC(=O)NCCOCC 11a_100011200944_100000748435 [0,1,0,0,0,0|3,0,0]=4 2771 B13R0.330 CCCC(C)CC(=O)NCCOCC 1626a_102516460346_100000748435 [0,1,0,0,0,0|3,0,0]=4 2772 B13R0.330 CCCC(C)CC(=O)NCCOCC 240690a_100011200944_100000748435 [0,1,0,0,0,0|3,0,0]=4 2773 B13R0.330 CCCC(C)CC(=O)NCCOCC 527a_100011200944_100000748435 [0,1,0,0,0,0|3,0,0]=4 2774 B13R0.330 CCCC(C)CC(=O)NCCSCC 11a_100000106463_100000748435 [0,1,0,0,0,0|3,0,0]=4 2775 B13R0.330 CCCC(C)CC(=O)NCCSCC 1626a_100000106463_100000748435 [0,1,0,0,0,0|3,0,0]=4 2776 B13R0.330 CCCC(C)CC(=O)NCCSCC 240690a_100000106463_100000748435 [0,1,0,0,0,0|3,0,0]=4 2777 B13R0.330 CCCC(C)CC(=O)NCCSCC 527a_100000106463_100000748435 [0,1,0,0,0,0|3,0,0]=4 2778 B13R0.330 CCCC(C)CC(=O)NNCCOC 22a_100000741390_100000748435 [0,1,0,0,0,0|2,1,0]=4 2779 B13R0.330 CCCC(C)NC(=O)NCCCOC 2708a_100000741246_100150723488 [0,1,0,0,0,0|2,1,0]=4 2780 B13R0.330 CCCC(C)NC(=O)NCCCOC 2708a_100150723488_100000741246 [0,1,0,0,0,0|2,1,0]=4 2781 B13R0.330 CCCC(C)NC(=O)NCCCOC 273464a_100000741246_100150723488 [0,1,0,0,0,0|2,1,0]=4 2782 B13R0.330 CCCC(C)NC(=O)NCCCOC 512a_100000741246_100150723488 [0,1,0,0,0,0|2,1,0]=4 2783 B13R0.330 CCCC(C)NC(=O)NCCCSC 2708a_100000741246_100000749238 [0,1,0,0,0,0|2,0,0]=3 2784 B13R0.330 CCCC(C)NC(=O)NCCCSC 2708a_100000749238_100000741246 [0,1,0,0,0,0|2,0,0]=3 2785 B13R0.330 CCCC(C)NC(=O)NCCCSC 273464a_100000741246_100000749238 [0,1,0,0,0,0|2,0,0]=3 2786 B13R0.330 CCCC(C)NC(=O)NCCCSC 512a_100000741246_100000749238 [0,1,0,0,0,0|2,0,0]=3 2787 B13R0.330 CCCC(C)NC(=O)NCCCSC 512a_100000749238_100000741246 [0,1,0,0,0,0|2,0,0]=3 2788 B13R0.330 CCCCC=CC(=O)CC(C)CCC 1458a_100016266645_100011216630 [0,1,0,0,0,0|2,0,1]=4 2789 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,1,0,0,0,0|2,0,1]=4 2790 B13R0.330 CCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210757 [0,1,0,0,0,0|2,0,0]=3 2791 B13R0.330 CCCCCCC(=O)CC(C)CCC 1458a_100102632555_100011216630 [0,1,0,0,0,0|2,0,0]=3 2792 B13R0.330 CCCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210757 [0,1,0,0,0,0|3,0,0]=4 2793 B13R0.330 CCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210757 [0,1,0,0,0,0|3,0,0]=4 2794 B13R0.330 CCCCCCC(=O)NC(C)CCC 11a_100000741246_100102632555 [0,1,0,0,0,0|3,0,0]=4 2795 B13R0.330 CCCCCCC(=O)NC(C)CCC 1626a_100000741246_100102632555 [0,1,0,0,0,0|3,0,0]=4 2796 B13R0.330 CCCCCCC(=O)NC(C)CCC 240690a_100000741246_100102632555 [0,1,0,0,0,0|3,0,0]=4 2797 B13R0.330 CCCCCCC(=O)NC(C)CCC 527a_100000741246_100102632555 [0,1,0,0,0,0|3,0,0]=4 2798 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [0,1,0,0,0,0|2,0,1]=4 2799 B13R0.330 CCCCCNC(=O)CC(C)CCC 11a_100000209983_100000748435 [0,1,0,0,0,0|2,0,0]=3 2800 B13R0.330 CCCCCNC(=O)CC(C)CCC 1626a_100000209983_100000748435 [0,1,0,0,0,0|2,0,0]=3 2801 B13R0.330 CCCCCNC(=O)CC(C)CCC 240690a_100000209983_100000748435 [0,1,0,0,0,0|2,0,0]=3 2802 B13R0.330 CCCCCNC(=O)CC(C)CCC 527a_100000209983_100000748435 [0,1,0,0,0,0|2,0,0]=3 2803 B13R0.330 CCCCCNC(=O)CC(C)SCC 11a_100000209983_200011311441 [0,1,0,0,0,0|3,0,0]=4 2804 B13R0.330 CCCCCNC(=O)CC(C)SCC 1626a_100000209983_200011311441 [0,1,0,0,0,0|3,0,0]=4 2805 B13R0.330 CCCCCNC(=O)CC(C)SCC 240690a_100000209983_200011311441 [0,1,0,0,0,0|3,0,0]=4 2806 B13R0.330 CCCCCNC(=O)CC(C)SCC 527a_100000209983_200011311441 [0,1,0,0,0,0|3,0,0]=4 2807 B13R0.330 CCCCCNC(=O)CN(C)CCC 2230a_100000747261_100000230301 [0,1,0,0,0,0|3,0,0]=4 2808 B13R0.330 CCCCCNC(=O)CN(C)CCC 269982a_100000747261_100000230301 [0,1,0,0,0,0|3,0,0]=4 2809 B13R0.330 CCCCCNC(=O)CS(=O)CCC 11a_100000209983_100011387404 [0,1,0,0,0,0|3,0,0]=4 2810 B13R0.330 CCCCCNC(=O)CS(=O)CCC 1626a_100000209983_100011387404 [0,1,0,0,0,0|3,0,0]=4 2811 B13R0.330 CCCCCNC(=O)CS(=O)CCC 240690a_100000209983_100011387404 [0,1,0,0,0,0|3,0,0]=4 2812 B13R0.330 CCCCCNC(=O)CS(=O)CCC 527a_100000209983_100011387404 [0,1,0,0,0,0|3,0,0]=4 2813 B13R0.330 CCCCCNC(=O)NC(C)CCC 2708a_100000209983_100000741246 [0,1,0,0,0,0|3,0,0]=4 2814 B13R0.330 CCCCCNC(=O)NC(C)CCC 2708a_100000741246_100000209983 [0,1,0,0,0,0|3,0,0]=4 2815 B13R0.330 CCCCCNC(=O)NC(C)CCC 273464a_100000741246_100000209983 [0,1,0,0,0,0|3,0,0]=4 2816 B13R0.330 CCCCCNC(=O)NC(C)CCC 512a_100000209983_100000741246 [0,1,0,0,0,0|3,0,0]=4 2817 B13R0.330 CCCCCNC(=O)NC(C)CCC 512a_100000741246_100000209983 [0,1,0,0,0,0|3,0,0]=4 2818 B13R0.330 CCCCNNC(=O)CC(C)CCC 22a_100025702795_100000748435 [0,1,0,0,0,0|3,0,0]=4 2819 B13R0.330 CCCCOCC(=O)CC(C)CCC 1458a_100000748435_100011995733 [0,1,0,0,0,0|3,0,0]=4 2820 B13R0.330 CCCCOCC(=O)CC(C)CCC 1458a_100000757543_100011216630 [0,1,0,0,0,0|3,0,0]=4 2821 B13R0.330 CCCCSCC(=O)CC(C)CCC 1458a_100000191162_100011216630 [0,1,0,0,0,0|3,0,0]=4 2822 B13R0.330 CCCN(C)CC(=O)NCCCOC 2230a_100000168148_100000210303 [0,1,0,0,0,0|2,1,0]=4 2823 B13R0.330 CCCN(C)CC(=O)NCCCOC 2230a_100000747261_100000183178 [0,1,0,0,0,0|2,1,0]=4 2824 B13R0.330 CCCN(C)CC(=O)NCCCOC 269982a_100000168148_100000210303 [0,1,0,0,0,0|2,1,0]=4 2825 B13R0.330 CCCN(C)CC(=O)NCCCOC 269982a_100000747261_100000183178 [0,1,0,0,0,0|2,1,0]=4 2826 B13R0.330 CCCN(C)CC(=O)OCCOCC 2230a_100000747261_200000101388 [0,1,0,0,0,0|3,0,0]=4 2827 B13R0.330 CCCN(C)CC(=O)OCCOCC 269982a_100000747261_200000101388 [0,1,0,0,0,0|3,0,0]=4 2828 B13R0.330 CCCOCCC(=O)CC(C)CCC 1458a_100000748435_100011215938 [0,1,0,0,0,0|3,0,0]=4 2829 B13R0.330 CCCS(=O)CC(=O)CCCCOC 1458a_100011387404_100000755781 [0,1,0,0,0,0|2,1,0]=4 2830 B13R0.330 CCCS(=O)CC(=O)NCCCOC 1626a_100150723488_100011387404 [0,1,0,0,0,0|2,1,0]=4 2831 B13R0.330 CCCS(=O)CC(=O)NCCCOC 240690a_100150723488_100011387404 [0,1,0,0,0,0|2,1,0]=4 2832 B13R0.330 CCCS(=O)CC(=O)NCCCOC 527a_100150723488_100011387404 [0,1,0,0,0,0|2,1,0]=4 2833 B13R0.330 CCCS(=O)CC(=O)NCCCSC 11a_100000749238_100011387404 [0,1,0,0,0,0|2,0,0]=3 2834 B13R0.330 CCCS(=O)CC(=O)NCCCSC 1626a_100000749238_100011387404 [0,1,0,0,0,0|2,0,0]=3 2835 B13R0.330 CCCS(=O)CC(=O)NCCCSC 240690a_100000749238_100011387404 [0,1,0,0,0,0|2,0,0]=3 2836 B13R0.330 CCCS(=O)CC(=O)NCCCSC 527a_100000749238_100011387404 [0,1,0,0,0,0|2,0,0]=3 2837 B13R0.330 CCOC(=O)CC(=O)NCCCSC 240690a_100000749238_100000243816 [0,1,0,0,0,0|2,0,1]=4 2838 B13R0.330 CCSC(C)CC(=O)CCCCOC 1458a_200011311441_100000755781 [0,1,0,0,0,0|2,1,0]=4 2839 B13R0.330 CCSC(C)CC(=O)NCCCOC 1626a_100150723488_200011311441 [0,1,0,0,0,0|2,1,0]=4 2840 B13R0.330 CCSC(C)CC(=O)NCCCOC 240690a_100150723488_200011311441 [0,1,0,0,0,0|2,1,0]=4 2841 B13R0.330 CCSC(C)CC(=O)NCCCOC 527a_100150723488_200011311441 [0,1,0,0,0,0|2,1,0]=4 2842 B13R0.330 CCSC(C)CC(=O)NCCCSC 11a_100000749238_200011311441 [0,1,0,0,0,0|2,0,0]=3 2843 B13R0.330 CCSC(C)CC(=O)NCCCSC 1626a_100000749238_200011311441 [0,1,0,0,0,0|2,0,0]=3 2844 B13R0.330 CCSC(C)CC(=O)NCCCSC 240690a_100000749238_200011311441 [0,1,0,0,0,0|2,0,0]=3 2845 B13R0.330 CCSC(C)CC(=O)NCCCSC 527a_100000749238_200011311441 [0,1,0,0,0,0|2,0,0]=3 2846 B13R0.330 COC[C@@H](C)NC(=O)NCCCSC 2708a_100000749238_100000764878 [0,1,0,0,0,0|3,0,0]=4 2847 B13R0.330 COC[C@@H](C)NC(=O)NCCCSC 2708a_100000764878_100000749238 [0,1,0,0,0,0|3,0,0]=4 2848 B13R0.330 COC[C@@H](C)NC(=O)NCCCSC 273464a_100000749238_100000764878 [0,1,0,0,0,0|3,0,0]=4 2849 B13R0.330 COC[C@@H](C)NC(=O)NCCCSC 273464a_100000764878_100000749238 [0,1,0,0,0,0|3,0,0]=4 2850 B13R0.330 COC[C@@H](C)NC(=O)NCCCSC 512a_100000749238_100000764878 [0,1,0,0,0,0|3,0,0]=4 2851 B13R0.330 COC[C@@H](C)NC(=O)NCCCSC 512a_100000764878_100000749238 [0,1,0,0,0,0|3,0,0]=4 2852 B13R0.330 CSCCCNC(=O)N[C@H](C)CCO 2708a_100000749238_100000706166 [0,1,0,0,0,0|3,0,0]=4 2853 B13R0.330 CSCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000749238 [0,1,0,0,0,0|3,0,0]=4 2854 B13R0.330 CSCCCNC(=O)N[C@H](C)CCO 512a_100000706166_100000749238 [0,1,0,0,0,0|3,0,0]=4 2855 B13R0.330 CSCCCNC(=O)N[C@H](C)CCO 512a_100000749238_100000706166 [0,1,0,0,0,0|3,0,0]=4 2856 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000212188_100012094781 [0,1,0,0,0,0|2,0,1]=4 2857 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000694772_100000210326 [0,1,0,0,0,0|2,0,1]=4 2858 B13R0.338 C#CCCCCNC(=O)CCCCC 11a_100000706060_100000212188 [0,1,0,0,0,0|2,0,1]=4 2859 B13R0.338 C#CCCCCNC(=O)CCCCC 1626a_100000706060_100000212188 [0,1,0,0,0,0|2,0,1]=4 2860 B13R0.338 C#CCCCCNC(=O)CCCCC 240690a_100000706060_100000212188 [0,1,0,0,0,0|2,0,1]=4 2861 B13R0.338 C#CCCCCNC(=O)CCCCC 527a_100000706060_100000212188 [0,1,0,0,0,0|2,0,1]=4 2862 B13R0.338 C#CCCCNCC(=O)CCCCC 34a_100000718082_200012276598 [0,1,0,0,0,0|2,0,1]=4 2863 B13R0.338 C#CCCCOCC(=O)CCCCC 34a_100000215630_200012276598 [0,1,0,0,0,0|1,0,1]=3 2864 B13R0.338 C#CCCCOCC(=O)CCCCC 7a_100000215630_200012276598 [0,1,0,0,0,0|1,0,1]=3 2865 B13R0.338 C#CCCCOCC(=O)NCCCC 34a_100000215630_100000182744 [0,1,0,0,0,0|2,0,1]=4 2866 B13R0.338 C#CCCCOCC(=O)NCCCC 7a_100000215630_100000182744 [0,1,0,0,0,0|2,0,1]=4 2867 B13R0.338 C#CCCCOCC(=O)OCCCC 34a_100000215630_100000211628 [0,1,0,0,0,0|2,0,1]=4 2868 B13R0.338 C#CCCCOCC(=O)OCCCC 7a_100000215630_100000211628 [0,1,0,0,0,0|2,0,1]=4 2869 B13R0.338 C#CCCCSCC(=O)CCCCC 62a_100011215417_200012276598 [0,1,0,0,0,0|1,1,1]=4 2870 B13R0.338 C#CCCCSCC(=O)CCCCC 62a_200012276598_100011215417 [0,1,0,0,0,0|1,1,1]=4 2871 B13R0.338 C#CCOCCNC(=O)CCCCC 11a_100000700922_100000212188 [0,1,0,0,0,0|2,0,1]=4 2872 B13R0.338 C#CCOCCNC(=O)CCCCC 1626a_100000700922_100000212188 [0,1,0,0,0,0|2,0,1]=4 2873 B13R0.338 C#CCOCCNC(=O)CCCCC 240690a_100000700922_100000212188 [0,1,0,0,0,0|2,0,1]=4 2874 B13R0.338 C#CCOCCNC(=O)CCCCC 527a_100000700922_100000212188 [0,1,0,0,0,0|2,0,1]=4 2875 B13R0.338 C/C=C/CCOCC(=O)CCCCC 34a_100016278192_200012276598 [0,1,0,0,0,0|1,0,1]=3 2876 B13R0.338 C/C=C/CCOCC(=O)NCCCC 34a_100016278192_100000182744 [0,1,0,0,0,0|2,0,1]=4 2877 B13R0.338 C/C=C/CCOCC(=O)OCCCC 34a_100016278192_100000211628 [0,1,0,0,0,0|2,0,1]=4 2878 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [0,1,0,0,0,0|2,0,1]=4 2879 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [0,1,0,0,0,0|2,0,1]=4 2880 B13R0.338 C=CCCCCNC(=O)CCCCC 11a_100000703577_100000212188 [0,1,0,0,0,0|2,0,1]=4 2881 B13R0.338 C=CCCCCNC(=O)CCCCC 1626a_100000703577_100000212188 [0,1,0,0,0,0|2,0,1]=4 2882 B13R0.338 C=CCCCCNC(=O)CCCCC 240690a_100000703577_100000212188 [0,1,0,0,0,0|2,0,1]=4 2883 B13R0.338 C=CCCCCNC(=O)CCCCC 527a_100000703577_100000212188 [0,1,0,0,0,0|2,0,1]=4 2884 B13R0.338 C=CCCCNCC(=O)CCCCC 2230a_100000700776_200012276598 [0,1,0,0,0,0|2,0,1]=4 2885 B13R0.338 C=CCCCNCC(=O)CCCCC 34a_100000700776_200012276598 [0,1,0,0,0,0|2,0,1]=4 2886 B13R0.338 C=CCCCOCC(=O)CCCCC 34a_100000758997_200012276598 [0,1,0,0,0,0|1,0,1]=3 2887 B13R0.338 C=CCCCOCC(=O)CCCCC 7a_100000758997_200012276598 [0,1,0,0,0,0|1,0,1]=3 2888 B13R0.338 C=CCCCOCC(=O)NCCCC 34a_100000758997_100000182744 [0,1,0,0,0,0|2,0,1]=4 2889 B13R0.338 C=CCCCOCC(=O)NCCCC 7a_100000758997_100000182744 [0,1,0,0,0,0|2,0,1]=4 2890 B13R0.338 C=CCCCOCC(=O)OCCCC 34a_100000758997_100000211628 [0,1,0,0,0,0|2,0,1]=4 2891 B13R0.338 C=CCCCOCC(=O)OCCCC 7a_100000758997_100000211628 [0,1,0,0,0,0|2,0,1]=4 2892 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_100011713584_200012276598 [0,1,0,0,0,0|1,1,1]=4 2893 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_200012276598_100000757094 [0,1,0,0,0,0|1,1,1]=4 2894 B13R0.338 C=COCCCNC(=O)CCCCC 11a_100000210767_100000212188 [0,1,0,0,0,0|1,1,1]=4 2895 B13R0.338 C=COCCCNC(=O)CCCCC 1626a_100000210767_100000212188 [0,1,0,0,0,0|1,1,1]=4 2896 B13R0.338 C=COCCCNC(=O)CCCCC 240690a_100000210767_100000212188 [0,1,0,0,0,0|1,1,1]=4 2897 B13R0.338 C=COCCCNC(=O)CCCCC 527a_100000210767_100000212188 [0,1,0,0,0,0|1,1,1]=4 2898 B13R0.338 C=COCCOCC(=O)CCCCC 34a_100000033082_200012276598 [0,1,0,0,0,0|2,0,1]=4 2899 B13R0.338 CC#CCCOCC(=O)CCCCC 34a_100000750427_200012276598 [0,1,0,0,0,0|1,0,1]=3 2900 B13R0.338 CC#CCCOCC(=O)NCCCC 34a_100000750427_100000182744 [0,1,0,0,0,0|2,0,1]=4 2901 B13R0.338 CC#CCCOCC(=O)OCCCC 34a_100000750427_100000211628 [0,1,0,0,0,0|2,0,1]=4 2902 B13R0.338 CC/C=C\COCC(=O)CCCCC 34a_100016268518_200012276598 [0,1,0,0,0,0|1,0,2]=4 2903 B13R0.338 CC=CCCCOC(C)CCCCC 34a_100020645299_200011218191 [0,1,0,0,0,0|2,0,1]=4 2904 B13R0.338 CCC#CCOCC(=O)CCCCC 34a_100000032950_200012276598 [0,1,0,0,0,0|1,0,2]=4 2905 B13R0.338 CCCC/C=C/CC(=O)CCCCC 1458a_200016282684_100000210326 [0,1,0,0,0,0|2,0,1]=4 2906 B13R0.338 CCCCC=NNC(=O)CCCCC 4a_100000189784_100000210104 [0,1,0,0,0,0|2,0,1]=4 2907 B13R0.338 CCCCCC#CC(=O)CCCCC 1458a_100011215388_100000210326 [0,1,0,0,0,0|2,0,0]=3 2908 B13R0.338 CCCCCC#CC(=O)CCCCF 1458a_100011215388_100000729493 [0,1,0,0,0,0|3,0,0]=4 2909 B13R0.338 CCCCCC#CC(=O)CCCCO 1458a_100011215388_100000210776 [0,1,0,0,0,0|3,0,0]=4 2910 B13R0.338 CCCCCC#CC(=O)CCCOC 1458a_100011215388_100000740836 [0,1,0,0,0,0|3,0,0]=4 2911 B13R0.338 CCCCCC#CC(=O)CCOCC 1458a_100011215388_100011215890 [0,1,0,0,0,0|3,0,0]=4 2912 B13R0.338 CCCCCC#CC(=O)CCSCC 1458a_100011215388_100000757381 [0,1,0,0,0,0|3,0,0]=4 2913 B13R0.338 CCCCCC#CC(=O)NCCCC 240690a_100000102301_100011215388 [0,1,0,0,0,0|3,0,0]=4 2914 B13R0.338 CCCCCC(=O)CCCCCC#N 1458a_100000212188_100009813376 [0,1,0,0,0,0|2,0,1]=4 2915 B13R0.338 CCCCCC(=O)CCCCCCF 1458a_100000212188_100015922095 [0,1,0,0,0,0|2,0,0]=3 2916 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [0,1,0,0,0,0|2,0,0]=3 2917 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [0,1,0,0,0,0|2,0,0]=3 2918 B13R0.338 CCCCCC(=O)CCCCCOC 1458a_100011935119_100000210326 [0,1,0,0,0,0|1,1,0]=3 2919 B13R0.338 CCCCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210326 [0,1,0,0,0,0|3,0,0]=4 2920 B13R0.338 CCCCCC(=O)CCOCCCC 1458a_100000212188_100000743108 [0,1,0,0,0,0|2,0,0]=3 2921 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000212188_100000695917 [0,1,0,0,0,0|1,1,0]=3 2922 B13R0.338 CCCCCC(=O)CCOCCOC 1458a_100000745395_100000210326 [0,1,0,0,0,0|1,1,0]=3 2923 B13R0.338 CCCCCC(=O)CNCCCCO 2230a_100000750430_200012276598 [0,1,0,0,0,0|3,0,0]=4 2924 B13R0.338 CCCCCC(=O)CNCCCCO 34a_100000750430_200012276598 [0,1,0,0,0,0|3,0,0]=4 2925 B13R0.338 CCCCCC(=O)CNCCCOC 34a_100150723488_200012276598 [0,1,0,0,0,0|1,1,0]=3 2926 B13R0.338 CCCCCC(=O)CNCCCSC 2230a_100000749238_200012276598 [0,1,0,0,0,0|1,0,0]=2 2927 B13R0.338 CCCCCC(=O)CNCCOCC 2230a_102516460346_200012276598 [0,1,0,0,0,0|2,1,0]=4 2928 B13R0.338 CCCCCC(=O)CNCCOCC 34a_102516460346_200012276598 [0,1,0,0,0,0|2,1,0]=4 2929 B13R0.338 CCCCCC(=O)CNCCSCC 2230a_100000106463_200012276598 [0,1,0,0,0,0|2,0,0]=3 2930 B13R0.338 CCCCCC(=O)COCCCCBr 34a_100011216708_200012276598 [0,1,0,0,0,0|2,0,0]=3 2931 B13R0.338 CCCCCC(=O)COCCCCCl 34a_100000210776_200012276598 [0,1,0,0,0,0|2,0,0]=3 2932 B13R0.338 CCCCCC(=O)COCCCCCl 7a_100000210776_200012276598 [0,1,0,0,0,0|2,0,0]=3 2933 B13R0.338 CCCCCC(=O)COCCCCF 34a_100011995726_200012276598 [0,1,0,0,0,0|2,0,0]=3 2934 B13R0.338 CCCCCC(=O)COCCCCF 7a_100011995726_200012276598 [0,1,0,0,0,0|2,0,0]=3 2935 B13R0.338 CCCCCC(=O)COCCCCI 34a_200012148704_200012276598 [0,1,0,0,0,0|2,0,0]=3 2936 B13R0.338 CCCCCC(=O)COCCCCN 34a_100000750430_200012276598 [0,1,0,0,0,0|2,0,0]=3 2937 B13R0.338 CCCCCC(=O)COCCCNC 34a_100000213112_200012276598 [0,1,0,0,0,0|1,0,0]=2 2938 B13R0.338 CCCCCC(=O)COCCCOC 34a_100000740835_200012276598 [0,1,0,0,0,0|0,1,0]=2 2939 B13R0.338 CCCCCC(=O)COCCCSC 34a_100000690336_200012276598 [0,1,0,0,0,0|0,0,0]=1 2940 B13R0.338 CCCCCC(=O)COCCCSC 7a_100000690336_200012276598 [0,1,0,0,0,0|0,0,0]=1 2941 B13R0.338 CCCCCC(=O)COCCOCC 34a_100000210136_200012276598 [0,1,0,0,0,0|2,0,0]=3 2942 B13R0.338 CCCCCC(=O)COCCOCC 7a_100000210136_200012276598 [0,1,0,0,0,0|2,0,0]=3 2943 B13R0.338 CCCCCC(=O)COCCSCC 34a_100000212035_200012276598 [0,1,0,0,0,0|2,0,0]=3 2944 B13R0.338 CCCCCC(=O)COCCSCC 7a_100000212035_200012276598 [0,1,0,0,0,0|2,0,0]=3 2945 B13R0.338 CCCCCC(=O)CSCCCC#N 62a_100000687738_200012276598 [0,1,0,0,0,0|2,1,0]=4 2946 B13R0.338 CCCCCC(=O)CSCCCC#N 62a_200012276598_100000687738 [0,1,0,0,0,0|2,1,0]=4 2947 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200011292268_200012276598 [0,1,0,0,0,0|2,1,0]=4 2948 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200012276598_200011292268 [0,1,0,0,0,0|2,1,0]=4 2949 B13R0.338 CCCCCC(=O)CSCCCCF 62a_100000729493_200012276598 [0,1,0,0,0,0|2,1,0]=4 2950 B13R0.338 CCCCCC(=O)CSCCCCF 62a_200012276598_100000729493 [0,1,0,0,0,0|2,1,0]=4 2951 B13R0.338 CCCCCC(=O)CSCCCCO 62a_100000210776_200012276598 [0,1,0,0,0,0|2,1,0]=4 2952 B13R0.338 CCCCCC(=O)CSCCCCO 62a_200012276598_100000210776 [0,1,0,0,0,0|2,1,0]=4 2953 B13R0.338 CCCCCC(=O)CSCCCOC 62a_100000709357_200012276598 [0,1,0,0,0,0|0,2,0]=3 2954 B13R0.338 CCCCCC(=O)CSCCCOC 62a_200012276598_100000709357 [0,1,0,0,0,0|0,2,0]=3 2955 B13R0.338 CCCCCC(=O)CSCCOCC 62a_100000210147_200012276598 [0,1,0,0,0,0|2,1,0]=4 2956 B13R0.338 CCCCCC(=O)CSCCOCC 62a_200012276598_100011215890 [0,1,0,0,0,0|2,1,0]=4 2957 B13R0.338 CCCCCC(=O)CSCCSC#N 62a_100000034367_200012276598 [0,1,0,0,0,0|2,0,1]=4 2958 B13R0.338 CCCCCC(=O)CSCCSC#N 62a_200012276598_100000034367 [0,1,0,0,0,0|2,0,1]=4 2959 B13R0.338 CCCCCC(=O)CSCCSCC 62a_100000757381_200012276598 [0,1,0,0,0,0|2,0,0]=3 2960 B13R0.338 CCCCCC(=O)CSCCSCC 62a_200012276598_100000757381 [0,1,0,0,0,0|2,0,0]=3 2961 B13R0.338 CCCCCC(=O)NCCCCC#N 11a_100000751965_100000212188 [0,1,0,0,0,0|2,0,1]=4 2962 B13R0.338 CCCCCC(=O)NCCCCC#N 1626a_100000751965_100000212188 [0,1,0,0,0,0|2,0,1]=4 2963 B13R0.338 CCCCCC(=O)NCCCCC#N 240690a_100000751965_100000212188 [0,1,0,0,0,0|2,0,1]=4 2964 B13R0.338 CCCCCC(=O)NCCCCC#N 527a_100000751965_100000212188 [0,1,0,0,0,0|2,0,1]=4 2965 B13R0.338 CCCCCC(=O)NCCCCCO 240690a_100000762737_100000212188 [0,1,0,0,0,0|2,0,0]=3 2966 B13R0.338 CCCCCC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000212188 [0,1,0,0,0,0|3,0,0]=4 2967 B13R0.338 CCCCCC(=O)NCCCOCC 11a_100000210961_100000212188 [0,1,0,0,0,0|1,1,0]=3 2968 B13R0.338 CCCCCC(=O)NCCCOCC 1626a_100000210961_100000212188 [0,1,0,0,0,0|1,1,0]=3 2969 B13R0.338 CCCCCC(=O)NCCCOCC 240690a_100000210961_100000212188 [0,1,0,0,0,0|1,1,0]=3 2970 B13R0.338 CCCCCC(=O)NCCCOCC 527a_100000210961_100000212188 [0,1,0,0,0,0|1,1,0]=3 2971 B13R0.338 CCCCCC(=O)NCCOCCC 1626a_100161115042_100000212188 [0,1,0,0,0,0|2,0,0]=3 2972 B13R0.338 CCCCCC(=O)NCCOCCC 240690a_100161115042_100000212188 [0,1,0,0,0,0|2,0,0]=3 2973 B13R0.338 CCCCCC(=O)NCCOCCC 527a_100161115042_100000212188 [0,1,0,0,0,0|2,0,0]=3 2974 B13R0.338 CCCCCC(=O)NCCOCCO 240690a_100000211614_100000212188 [0,1,0,0,0,0|3,0,0]=4 2975 B13R0.338 CCCCCC(=O)NCCSCCC 11a_100020603323_100000212188 [0,1,0,0,0,0|2,0,0]=3 2976 B13R0.338 CCCCCC(=O)NCCSCCC 240690a_100020603323_100000212188 [0,1,0,0,0,0|2,0,0]=3 2977 B13R0.338 CCCCCC(=O)NCCSCCC 527a_100020603323_100000212188 [0,1,0,0,0,0|2,0,0]=3 2978 B13R0.338 CCCCCC(=O)NCCSCCO 240690a_100011219999_100000212188 [0,1,0,0,0,0|3,0,0]=4 2979 B13R0.338 CCCCCC(=O)NCCSCCO 527a_100011219999_100000212188 [0,1,0,0,0,0|3,0,0]=4 2980 B13R0.338 CCCCCC(=O)NN=CCCSC 4a_100000189784_100000210997 [0,1,0,0,0,0|1,0,1]=3 2981 B13R0.338 CCCCCC(=O)NNCCCOC 22a_100025702787_100000212188 [0,1,0,0,0,0|1,1,0]=3 2982 B13R0.338 CCCCCC(=O)NNCCOCC 22a_100000732670_100000212188 [0,1,0,0,0,0|2,1,0]=4 2983 B13R0.338 CCCCCC(C)OCCCCCBr 34a_100000746331_200011218191 [0,1,0,0,0,0|2,0,1]=4 2984 B13R0.338 CCCCCC(C)OCCCCCBr 7a_100000746331_200011218191 [0,1,0,0,0,0|2,0,1]=4 2985 B13R0.338 CCCCCC(C)OCCCCCCl 34a_100000746330_200011218191 [0,1,0,0,0,0|2,0,1]=4 2986 B13R0.338 CCCCCC(C)OCCCCCCl 7a_100000746330_200011218191 [0,1,0,0,0,0|2,0,1]=4 2987 B13R0.338 CCCCCC(C)OCCCCCF 34a_100011215632_100000729378 [0,1,0,0,0,0|2,0,1]=4 2988 B13R0.338 CCCCCC(C)OCCCCCF 7a_100011215632_100000729378 [0,1,0,0,0,0|2,0,1]=4 2989 B13R0.338 CCCCCC(C)OCCCCCI 34a_200012148887_200011218191 [0,1,0,0,0,0|2,0,1]=4 2990 B13R0.338 CCCCCC(C)OCCCCCI 7a_200012148887_200011218191 [0,1,0,0,0,0|2,0,1]=4 2991 B13R0.338 CCCCCC(C)OCCCCCN 34a_100000762737_200011218191 [0,1,0,0,0,0|2,0,1]=4 2992 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [0,1,0,0,0,0|2,0,1]=4 2993 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [0,1,0,0,0,0|2,0,1]=4 2994 B13R0.338 CCCCCC(C)OCCCCOC 34a_100000740925_200011218191 [0,1,0,0,0,0|1,1,1]=4 2995 B13R0.338 CCCCCC(C)OCCCCOC 34a_100011215632_100000755781 [0,1,0,0,0,0|1,1,1]=4 2996 B13R0.338 CCCCCC(C)OCCCCOC 7a_100011215632_100000730899 [0,1,0,0,0,0|1,1,1]=4 2997 B13R0.338 CCCCCC(C)OCCCCSC 34a_100011217163_200011218191 [0,1,0,0,0,0|1,0,1]=3 2998 B13R0.338 CCCCCC(C)OCCCCSC 7a_100011217163_200011218191 [0,1,0,0,0,0|1,0,1]=3 2999 B13R0.338 CCCCCC(C)OCCCOCC 34a_100000757476_200011218191 [0,1,0,0,0,0|1,1,1]=4 3000 B13R0.338 CCCCCC(C)OCCCOCC 34a_100011215632_100012232248 [0,1,0,0,0,0|1,1,1]=4 3001 B13R0.338 CCCCCC(C)OCCCOCC 7a_100000757476_200011218191 [0,1,0,0,0,0|1,1,1]=4 3002 B13R0.338 CCCCCC(C)OCCCOCC 7a_100011215632_100012232248 [0,1,0,0,0,0|1,1,1]=4 3003 B13R0.338 CCCCCC(C)OCCCSCC 34a_100011216438_200011218191 [0,1,0,0,0,0|1,0,1]=3 3004 B13R0.338 CCCCCC(C)OCCCSCC 7a_100011216438_200011218191 [0,1,0,0,0,0|1,0,1]=3 3005 B13R0.338 CCCCCC(C)OCCOCCC 34a_100000752267_200011218191 [0,1,0,0,0,0|2,0,1]=4 3006 B13R0.338 CCCCCC(C)OCCOCCC 34a_100011215632_100011215938 [0,1,0,0,0,0|2,0,1]=4 3007 B13R0.338 CCCCCC(C)OCCOCCC 7a_100000752267_200011218191 [0,1,0,0,0,0|2,0,1]=4 3008 B13R0.338 CCCCCC(C)OCCOCCC 7a_100011215632_100011215938 [0,1,0,0,0,0|2,0,1]=4 3009 B13R0.338 CCCCCC(C)OCCSCCC 34a_200000230433_200011218191 [0,1,0,0,0,0|2,0,1]=4 3010 B13R0.338 CCCCCC(C)OCCSCCC 7a_200000230433_200011218191 [0,1,0,0,0,0|2,0,1]=4 3011 B13R0.338 CCCCCC(C)OCOCCCC 34a_100011215632_100011995733 [0,1,0,0,0,0|2,0,1]=4 3012 B13R0.338 CCCCCC=CC(=O)CCCCC 1458a_100016263427_100000210326 [0,1,0,0,0,0|2,0,0]=3 3013 B13R0.338 CCCCCC=CC(=O)CCCCF 1458a_100016263427_100000729493 [0,1,0,0,0,0|3,0,0]=4 3014 B13R0.338 CCCCCC=CC(=O)CCCCO 1458a_100016263427_100000210776 [0,1,0,0,0,0|3,0,0]=4 3015 B13R0.338 CCCCCC=CC(=O)CCCOC 1458a_100016263427_100000740836 [0,1,0,0,0,0|3,0,0]=4 3016 B13R0.338 CCCCCC=CC(=O)CCOCC 1458a_100016263427_100011215890 [0,1,0,0,0,0|3,0,0]=4 3017 B13R0.338 CCCCCC=CC(=O)CCSCC 1458a_100016263427_100000757381 [0,1,0,0,0,0|3,0,0]=4 3018 B13R0.338 CCCCCC=CC(=O)NCCCC 11a_100000102301_100016263427 [0,1,0,0,0,0|3,0,0]=4 3019 B13R0.338 CCCCCC=CC(=O)NCCCC 1626a_100000102301_100016263427 [0,1,0,0,0,0|3,0,0]=4 3020 B13R0.338 CCCCCC=CC(=O)NCCCC 240690a_100000102301_100016263427 [0,1,0,0,0,0|3,0,0]=4 3021 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [0,1,0,0,0,0|2,0,0]=3 3022 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [0,1,0,0,0,0|2,0,0]=3 3023 B13R0.338 CCCCCCCC(=O)CCCCF 1458a_100000211969_100000729493 [0,1,0,0,0,0|3,0,0]=4 3024 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,1,0,0,0,0|3,0,0]=4 3025 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,1,0,0,0,0|3,0,0]=4 3026 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000211969_100000740836 [0,1,0,0,0,0|3,0,0]=4 3027 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000741012_100000210614 [0,1,0,0,0,0|3,0,0]=4 3028 B13R0.338 CCCCCCCC(=O)CCCSC 1458a_100000173376_100000210614 [0,1,0,0,0,0|3,0,0]=4 3029 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [0,1,0,0,0,0|3,0,0]=4 3030 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [0,1,0,0,0,0|3,0,0]=4 3031 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000211969_100000757381 [0,1,0,0,0,0|3,0,0]=4 3032 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000230768_100000210614 [0,1,0,0,0,0|3,0,0]=4 3033 B13R0.338 CCCCCCCC(=O)COCCC 1458a_100000745993_100000210614 [0,1,0,0,0,0|3,0,0]=4 3034 B13R0.338 CCCCCCCC(=O)CSCCC 1458a_100000217233_100000210614 [0,1,0,0,0,0|3,0,0]=4 3035 B13R0.338 CCCCCCCC(=O)NCCCC 11a_100000102301_100000211969 [0,1,0,0,0,0|3,0,0]=4 3036 B13R0.338 CCCCCCCC(=O)NCCCC 1626a_100000102301_100000211969 [0,1,0,0,0,0|3,0,0]=4 3037 B13R0.338 CCCCCCCC(=O)NCCCC 240690a_100000102301_100000211969 [0,1,0,0,0,0|3,0,0]=4 3038 B13R0.338 CCCCCCCC(=O)NCCCC 527a_100000102301_100000211969 [0,1,0,0,0,0|3,0,0]=4 3039 B13R0.338 CCCCCCNC(=O)CCCCC 11a_100000210581_100000212188 [0,1,0,0,0,0|2,0,0]=3 3040 B13R0.338 CCCCCCNC(=O)CCCCC 1626a_100000210581_100000212188 [0,1,0,0,0,0|2,0,0]=3 3041 B13R0.338 CCCCCCNC(=O)CCCCC 240690a_100000210581_100000212188 [0,1,0,0,0,0|2,0,0]=3 3042 B13R0.338 CCCCCCNC(=O)CCCCC 527a_100000210581_100000212188 [0,1,0,0,0,0|2,0,0]=3 3043 B13R0.338 CCCCCCNC(=O)CCCCO 1626a_100000210581_100000695505 [0,1,0,0,0,0|3,0,0]=4 3044 B13R0.338 CCCCCCNC(=O)CCCOC 11a_100000210581_100000741012 [0,1,0,0,0,0|3,0,0]=4 3045 B13R0.338 CCCCCCNC(=O)CCCOC 1626a_100000210581_100000741012 [0,1,0,0,0,0|3,0,0]=4 3046 B13R0.338 CCCCCCNC(=O)CCCOC 240690a_100000210581_100000741012 [0,1,0,0,0,0|3,0,0]=4 3047 B13R0.338 CCCCCCNC(=O)CCCOC 527a_100000210581_100000741012 [0,1,0,0,0,0|3,0,0]=4 3048 B13R0.338 CCCCCCNC(=O)CCCSC 11a_100000210581_100000173376 [0,1,0,0,0,0|3,0,0]=4 3049 B13R0.338 CCCCCCNC(=O)CCCSC 1626a_100000210581_100000173376 [0,1,0,0,0,0|3,0,0]=4 3050 B13R0.338 CCCCCCNC(=O)CCCSC 240690a_100000210581_100000173376 [0,1,0,0,0,0|3,0,0]=4 3051 B13R0.338 CCCCCCNC(=O)CCCSC 527a_100000210581_100000173376 [0,1,0,0,0,0|3,0,0]=4 3052 B13R0.338 CCCCCCNC(=O)CCOCC 11a_100000210581_100000749530 [0,1,0,0,0,0|3,0,0]=4 3053 B13R0.338 CCCCCCNC(=O)CCOCC 1626a_100000210581_100000749530 [0,1,0,0,0,0|3,0,0]=4 3054 B13R0.338 CCCCCCNC(=O)CCOCC 240690a_100000210581_100000749530 [0,1,0,0,0,0|3,0,0]=4 3055 B13R0.338 CCCCCCNC(=O)CCOCC 527a_100000210581_100000749530 [0,1,0,0,0,0|3,0,0]=4 3056 B13R0.338 CCCCCCNC(=O)CCSCC 11a_100000210581_100000230768 [0,1,0,0,0,0|3,0,0]=4 3057 B13R0.338 CCCCCCNC(=O)CCSCC 1626a_100000210581_100000230768 [0,1,0,0,0,0|3,0,0]=4 3058 B13R0.338 CCCCCCNC(=O)CCSCC 240690a_100000210581_100000230768 [0,1,0,0,0,0|3,0,0]=4 3059 B13R0.338 CCCCCCNC(=O)CCSCC 527a_100000210581_100000230768 [0,1,0,0,0,0|3,0,0]=4 3060 B13R0.338 CCCCCCNC(=O)COCCC 11a_100000210581_100000745993 [0,1,0,0,0,0|3,0,0]=4 3061 B13R0.338 CCCCCCNC(=O)COCCC 1626a_100000210581_100000745993 [0,1,0,0,0,0|3,0,0]=4 3062 B13R0.338 CCCCCCNC(=O)COCCC 240690a_100000210581_100000745993 [0,1,0,0,0,0|3,0,0]=4 3063 B13R0.338 CCCCCCNC(=O)COCCC 34a_100000210258_100000230325 [0,1,0,0,0,0|3,0,0]=4 3064 B13R0.338 CCCCCCNC(=O)COCCC 527a_100000210581_100000745993 [0,1,0,0,0,0|3,0,0]=4 3065 B13R0.338 CCCCCCNC(=O)CSCCC 11a_100000210581_100000217233 [0,1,0,0,0,0|3,0,0]=4 3066 B13R0.338 CCCCCCNC(=O)CSCCC 1626a_100000210581_100000217233 [0,1,0,0,0,0|3,0,0]=4 3067 B13R0.338 CCCCCCNC(=O)CSCCC 240690a_100000210581_100000217233 [0,1,0,0,0,0|3,0,0]=4 3068 B13R0.338 CCCCCCNC(=O)CSCCC 527a_100000210581_100000217233 [0,1,0,0,0,0|3,0,0]=4 3069 B13R0.338 CCCCCCNC(=O)CSCCC 62a_100000230325_100000210303 [0,1,0,0,0,0|3,0,0]=4 3070 B13R0.338 CCCCCCNC(=O)NCCCC 2708a_100000102301_100000210581 [0,1,0,0,0,0|3,0,0]=4 3071 B13R0.338 CCCCCCNC(=O)NCCCC 2708a_100000210581_100000102301 [0,1,0,0,0,0|3,0,0]=4 3072 B13R0.338 CCCCCCNC(=O)NCCCC 273464a_100000102301_100000210581 [0,1,0,0,0,0|3,0,0]=4 3073 B13R0.338 CCCCCCNC(=O)NCCCC 273464a_100000210581_100000102301 [0,1,0,0,0,0|3,0,0]=4 3074 B13R0.338 CCCCCCNC(=O)NCCCC 512a_100000102301_100000210581 [0,1,0,0,0,0|3,0,0]=4 3075 B13R0.338 CCCCCCNC(=O)NCCCC 512a_100000210581_100000102301 [0,1,0,0,0,0|3,0,0]=4 3076 B13R0.338 CCCCCCOC(C)CCCCC 34a_100000210259_200011218191 [0,1,0,0,0,0|2,0,1]=4 3077 B13R0.338 CCCCCCOC(C)CCCCC 34a_100011215632_100000210314 [0,1,0,0,0,0|2,0,1]=4 3078 B13R0.338 CCCCCCOC(C)CCCCC 7a_100000210259_200011218191 [0,1,0,0,0,0|2,0,1]=4 3079 B13R0.338 CCCCCCOC(C)CCCCC 7a_100011215632_100000210314 [0,1,0,0,0,0|2,0,1]=4 3080 B13R0.338 CCCCCNCC(=O)CCCCC 2230a_100000209983_200012276598 [0,1,0,0,0,0|2,0,0]=3 3081 B13R0.338 CCCCCNCC(=O)NCCCC 2230a_100000209983_100000182744 [0,1,0,0,0,0|3,0,0]=4 3082 B13R0.338 CCCCCNCC(=O)OCCCC 2230a_100000209983_100000211628 [0,1,0,0,0,0|3,0,0]=4 3083 B13R0.338 CCCCCNN=C(C)CCCCC 4a_100000694160_100000211708 [0,1,0,0,0,0|3,0,0]=4 3084 B13R0.338 CCCCCNNC(=O)CCCCC 22a_100000694160_100000212188 [0,1,0,0,0,0|2,0,0]=3 3085 B13R0.338 CCCCCNNC(=O)CCCOC 22a_100000694160_100000741012 [0,1,0,0,0,0|3,0,0]=4 3086 B13R0.338 CCCCCNNC(=O)CCCSC 22a_100000694160_100000173376 [0,1,0,0,0,0|3,0,0]=4 3087 B13R0.338 CCCCCNNC(=O)CCOCC 22a_100000694160_100000749530 [0,1,0,0,0,0|3,0,0]=4 3088 B13R0.338 CCCCCNNC(=O)CCSCC 22a_100000694160_100000230768 [0,1,0,0,0,0|3,0,0]=4 3089 B13R0.338 CCCCCNNC(=O)COCCC 22a_100000694160_100000745993 [0,1,0,0,0,0|3,0,0]=4 3090 B13R0.338 CCCCCNNC(=O)CSCCC 22a_100000694160_100000217233 [0,1,0,0,0,0|3,0,0]=4 3091 B13R0.338 CCCCCNNC(=O)NCCCC 273464a_100000102301_100000694160 [0,1,0,0,0,0|3,0,0]=4 3092 B13R0.338 CCCCCNNC(=O)NCCCC 512a_100000102301_100000694160 [0,1,0,0,0,0|3,0,0]=4 3093 B13R0.338 CCCCCNNC(=O)NCCCC 512a_100000694160_100000102301 [0,1,0,0,0,0|3,0,0]=4 3094 B13R0.338 CCCCCOCC(=O)CCCCC 34a_100000210253_200012276598 [0,1,0,0,0,0|1,0,0]=2 3095 B13R0.338 CCCCCOCC(=O)CCCCC 7a_100000210253_200012276598 [0,1,0,0,0,0|1,0,0]=2 3096 B13R0.338 CCCCCOCC(=O)NCCCC 34a_100000210253_100000182744 [0,1,0,0,0,0|2,0,0]=3 3097 B13R0.338 CCCCCOCC(=O)NCCCC 7a_100000210253_100000182744 [0,1,0,0,0,0|2,0,0]=3 3098 B13R0.338 CCCCCOCC(=O)NCCOC 34a_100000210253_100000183275 [0,1,0,0,0,0|3,0,0]=4 3099 B13R0.338 CCCCCOCC(=O)NCCOC 7a_100000210253_100000183275 [0,1,0,0,0,0|3,0,0]=4 3100 B13R0.338 CCCCCOCC(=O)OCCCC 34a_100000210253_100000211628 [0,1,0,0,0,0|2,0,0]=3 3101 B13R0.338 CCCCCOCC(=O)OCCCC 7a_100000210253_100000211628 [0,1,0,0,0,0|2,0,0]=3 3102 B13R0.338 CCCCCOCC(=O)OCCOC 34a_100000210253_200000040189 [0,1,0,0,0,0|3,0,0]=4 3103 B13R0.338 CCCCCOCC(=O)OCCOC 7a_100000210253_200000040189 [0,1,0,0,0,0|3,0,0]=4 3104 B13R0.338 CCCCCSCC(=O)CCCCC 62a_100000210326_200012276598 [0,1,0,0,0,0|1,1,0]=3 3105 B13R0.338 CCCCCSCC(=O)CCCCC 62a_200012276598_100000210326 [0,1,0,0,0,0|1,1,0]=3 3106 B13R0.338 CCCCCSCC(=O)NCCCC 62a_100000182744_100000210326 [0,1,0,0,0,0|2,1,0]=4 3107 B13R0.338 CCCCCSCC(=O)NCCCC 62a_100000210326_100000182744 [0,1,0,0,0,0|2,1,0]=4 3108 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000210326_100000211628 [0,1,0,0,0,0|2,1,0]=4 3109 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000211628_100000210326 [0,1,0,0,0,0|2,1,0]=4 3110 B13R0.338 CCCCNC(=O)CCCCCCO 240690a_100000102301_100011996774 [0,1,0,0,0,0|3,0,0]=4 3111 B13R0.338 CCCCNC(=O)CCCCCOC 11a_100000102301_100011935119 [0,1,0,0,0,0|2,1,0]=4 3112 B13R0.338 CCCCNC(=O)CCCCCOC 1626a_100000102301_100011935119 [0,1,0,0,0,0|2,1,0]=4 3113 B13R0.338 CCCCNC(=O)CCCCCOC 240690a_100000102301_100011935119 [0,1,0,0,0,0|2,1,0]=4 3114 B13R0.338 CCCCNC(=O)CCCCCOC 527a_100000102301_100011935119 [0,1,0,0,0,0|2,1,0]=4 3115 B13R0.338 CCCCNC(=O)CCOCCOC 11a_100000102301_100000745395 [0,1,0,0,0,0|2,1,0]=4 3116 B13R0.338 CCCCNC(=O)CCOCCOC 1626a_100000102301_100000745395 [0,1,0,0,0,0|2,1,0]=4 3117 B13R0.338 CCCCNC(=O)CCOCCOC 240690a_100000102301_100000745395 [0,1,0,0,0,0|2,1,0]=4 3118 B13R0.338 CCCCNC(=O)CCOCCOC 527a_100000102301_100000745395 [0,1,0,0,0,0|2,1,0]=4 3119 B13R0.338 CCCCNC(=O)CNCCCOC 34a_100150723488_100000182744 [0,1,0,0,0,0|2,1,0]=4 3120 B13R0.338 CCCCNC(=O)CNCCCSC 2230a_100000749238_100000182744 [0,1,0,0,0,0|2,0,0]=3 3121 B13R0.338 CCCCNC(=O)CNCCSCC 2230a_100000106463_100000182744 [0,1,0,0,0,0|3,0,0]=4 3122 B13R0.338 CCCCNC(=O)COCCCCBr 34a_100011216708_100000182744 [0,1,0,0,0,0|3,0,0]=4 3123 B13R0.338 CCCCNC(=O)COCCCCCl 34a_100000210776_100000182744 [0,1,0,0,0,0|3,0,0]=4 3124 B13R0.338 CCCCNC(=O)COCCCCCl 7a_100000210776_100000182744 [0,1,0,0,0,0|3,0,0]=4 3125 B13R0.338 CCCCNC(=O)COCCCCF 34a_100011995726_100000182744 [0,1,0,0,0,0|3,0,0]=4 3126 B13R0.338 CCCCNC(=O)COCCCCF 7a_100011995726_100000182744 [0,1,0,0,0,0|3,0,0]=4 3127 B13R0.338 CCCCNC(=O)COCCCCI 34a_200012148704_100000182744 [0,1,0,0,0,0|3,0,0]=4 3128 B13R0.338 CCCCNC(=O)COCCCCN 34a_100000750430_100000182744 [0,1,0,0,0,0|3,0,0]=4 3129 B13R0.338 CCCCNC(=O)COCCCNC 34a_100000213112_100000182744 [0,1,0,0,0,0|2,0,0]=3 3130 B13R0.338 CCCCNC(=O)COCCCOC 34a_100000740835_100000182744 [0,1,0,0,0,0|1,1,0]=3 3131 B13R0.338 CCCCNC(=O)COCCCSC 34a_100000690336_100000182744 [0,1,0,0,0,0|1,0,0]=2 3132 B13R0.338 CCCCNC(=O)COCCCSC 7a_100000690336_100000182744 [0,1,0,0,0,0|1,0,0]=2 3133 B13R0.338 CCCCNC(=O)COCCOCC 34a_100000210136_100000182744 [0,1,0,0,0,0|3,0,0]=4 3134 B13R0.338 CCCCNC(=O)COCCOCC 7a_100000210136_100000182744 [0,1,0,0,0,0|3,0,0]=4 3135 B13R0.338 CCCCNC(=O)COCCSCC 34a_100000212035_100000182744 [0,1,0,0,0,0|3,0,0]=4 3136 B13R0.338 CCCCNC(=O)COCCSCC 7a_100000212035_100000182744 [0,1,0,0,0,0|3,0,0]=4 3137 B13R0.338 CCCCNC(=O)CSCCCOC 62a_100000182744_100000709357 [0,1,0,0,0,0|1,2,0]=4 3138 B13R0.338 CCCCNC(=O)CSCCCOC 62a_100000709357_100000182744 [0,1,0,0,0,0|1,2,0]=4 3139 B13R0.338 CCCCNC(=O)CSCCSCC 62a_100000182744_100000757381 [0,1,0,0,0,0|3,0,0]=4 3140 B13R0.338 CCCCNC(=O)CSCCSCC 62a_100000757381_100000182744 [0,1,0,0,0,0|3,0,0]=4 3141 B13R0.338 CCCCNC(=O)NCCCCCO 2708a_100000102301_100000762737 [0,1,0,0,0,0|3,0,0]=4 3142 B13R0.338 CCCCNC(=O)NCCCCCO 273464a_100000102301_100000762737 [0,1,0,0,0,0|3,0,0]=4 3143 B13R0.338 CCCCNC(=O)NCCCCCO 273464a_100000762737_100000102301 [0,1,0,0,0,0|3,0,0]=4 3144 B13R0.338 CCCCNC(=O)NCCCCCO 512a_100000102301_100000762737 [0,1,0,0,0,0|3,0,0]=4 3145 B13R0.338 CCCCNC(=O)NCCCCCO 512a_100000762737_100000102301 [0,1,0,0,0,0|3,0,0]=4 3146 B13R0.338 CCCCNC(=O)NCCCOCC 2708a_100000102301_100000210961 [0,1,0,0,0,0|2,1,0]=4 3147 B13R0.338 CCCCNC(=O)NCCCOCC 2708a_100000210961_100000102301 [0,1,0,0,0,0|2,1,0]=4 3148 B13R0.338 CCCCNC(=O)NCCCOCC 273464a_100000102301_100000210961 [0,1,0,0,0,0|2,1,0]=4 3149 B13R0.338 CCCCNC(=O)NCCCOCC 273464a_100000210961_100000102301 [0,1,0,0,0,0|2,1,0]=4 3150 B13R0.338 CCCCNC(=O)NCCCOCC 512a_100000102301_100000210961 [0,1,0,0,0,0|2,1,0]=4 3151 B13R0.338 CCCCNC(=O)NCCCOCC 512a_100000210961_100000102301 [0,1,0,0,0,0|2,1,0]=4 3152 B13R0.338 CCCCNC(=O)NCCOCCC 2708a_100000102301_100161115042 [0,1,0,0,0,0|3,0,0]=4 3153 B13R0.338 CCCCNC(=O)NCCOCCC 2708a_100161115042_100000102301 [0,1,0,0,0,0|3,0,0]=4 3154 B13R0.338 CCCCNC(=O)NCCOCCC 273464a_100000102301_100161115042 [0,1,0,0,0,0|3,0,0]=4 3155 B13R0.338 CCCCNC(=O)NCCOCCC 273464a_100161115042_100000102301 [0,1,0,0,0,0|3,0,0]=4 3156 B13R0.338 CCCCNC(=O)NCCOCCC 512a_100000102301_100161115042 [0,1,0,0,0,0|3,0,0]=4 3157 B13R0.338 CCCCNC(=O)NCCOCCC 512a_100161115042_100000102301 [0,1,0,0,0,0|3,0,0]=4 3158 B13R0.338 CCCCNC(=O)NCCSCCC 2708a_100000102301_100020603323 [0,1,0,0,0,0|3,0,0]=4 3159 B13R0.338 CCCCNC(=O)NCCSCCC 2708a_100020603323_100000102301 [0,1,0,0,0,0|3,0,0]=4 3160 B13R0.338 CCCCNC(=O)NCCSCCC 273464a_100000102301_100020603323 [0,1,0,0,0,0|3,0,0]=4 3161 B13R0.338 CCCCNC(=O)NCCSCCC 273464a_100020603323_100000102301 [0,1,0,0,0,0|3,0,0]=4 3162 B13R0.338 CCCCNC(=O)NCCSCCC 512a_100000102301_100020603323 [0,1,0,0,0,0|3,0,0]=4 3163 B13R0.338 CCCCNC(=O)NCCSCCC 512a_100020603323_100000102301 [0,1,0,0,0,0|3,0,0]=4 3164 B13R0.338 CCCCNC(=O)NNCCCOC 273464a_100000102301_100025702787 [0,1,0,0,0,0|2,1,0]=4 3165 B13R0.338 CCCCNC(=O)NNCCCOC 512a_100000102301_100025702787 [0,1,0,0,0,0|2,1,0]=4 3166 B13R0.338 CCCCOC(=O)CNCCCOC 34a_100150723488_100000211628 [0,1,0,0,0,0|2,1,0]=4 3167 B13R0.338 CCCCOC(=O)CNCCCSC 2230a_100000749238_100000211628 [0,1,0,0,0,0|2,0,0]=3 3168 B13R0.338 CCCCOC(=O)CNCCSCC 2230a_100000106463_100000211628 [0,1,0,0,0,0|3,0,0]=4 3169 B13R0.338 CCCCOC(=O)COCCCCBr 34a_100011216708_100000211628 [0,1,0,0,0,0|3,0,0]=4 3170 B13R0.338 CCCCOC(=O)COCCCCCl 34a_100000210776_100000211628 [0,1,0,0,0,0|3,0,0]=4 3171 B13R0.338 CCCCOC(=O)COCCCCCl 7a_100000210776_100000211628 [0,1,0,0,0,0|3,0,0]=4 3172 B13R0.338 CCCCOC(=O)COCCCCF 34a_100011995726_100000211628 [0,1,0,0,0,0|3,0,0]=4 3173 B13R0.338 CCCCOC(=O)COCCCCF 7a_100011995726_100000211628 [0,1,0,0,0,0|3,0,0]=4 3174 B13R0.338 CCCCOC(=O)COCCCCI 34a_200012148704_100000211628 [0,1,0,0,0,0|3,0,0]=4 3175 B13R0.338 CCCCOC(=O)COCCCCN 34a_100000750430_100000211628 [0,1,0,0,0,0|3,0,0]=4 3176 B13R0.338 CCCCOC(=O)COCCCNC 34a_100000213112_100000211628 [0,1,0,0,0,0|2,0,0]=3 3177 B13R0.338 CCCCOC(=O)COCCCOC 34a_100000740835_100000211628 [0,1,0,0,0,0|1,1,0]=3 3178 B13R0.338 CCCCOC(=O)COCCCSC 34a_100000690336_100000211628 [0,1,0,0,0,0|1,0,0]=2 3179 B13R0.338 CCCCOC(=O)COCCCSC 7a_100000690336_100000211628 [0,1,0,0,0,0|1,0,0]=2 3180 B13R0.338 CCCCOC(=O)COCCOCC 34a_100000210136_100000211628 [0,1,0,0,0,0|3,0,0]=4 3181 B13R0.338 CCCCOC(=O)COCCOCC 7a_100000210136_100000211628 [0,1,0,0,0,0|3,0,0]=4 3182 B13R0.338 CCCCOC(=O)COCCSCC 34a_100000212035_100000211628 [0,1,0,0,0,0|3,0,0]=4 3183 B13R0.338 CCCCOC(=O)COCCSCC 7a_100000212035_100000211628 [0,1,0,0,0,0|3,0,0]=4 3184 B13R0.338 CCCCOC(=O)CSCCCOC 62a_100000211628_100000709357 [0,1,0,0,0,0|1,2,0]=4 3185 B13R0.338 CCCCOC(=O)CSCCCOC 62a_100000709357_100000211628 [0,1,0,0,0,0|1,2,0]=4 3186 B13R0.338 CCCCOC(=O)CSCCSCC 62a_100000211628_100000757381 [0,1,0,0,0,0|3,0,0]=4 3187 B13R0.338 CCCCOC(=O)CSCCSCC 62a_100000757381_100000211628 [0,1,0,0,0,0|3,0,0]=4 3188 B13R0.338 CCCCOCCC(=O)CCCCO 1458a_100000695505_100000743108 [0,1,0,0,0,0|3,0,0]=4 3189 B13R0.338 CCCCOCCC(=O)CCCOC 1458a_100000741012_100000743108 [0,1,0,0,0,0|3,0,0]=4 3190 B13R0.338 CCCCOCCC(=O)CCCSC 1458a_100000173376_100000743108 [0,1,0,0,0,0|3,0,0]=4 3191 B13R0.338 CCCCOCCC(=O)CCOCC 1458a_100000749530_100000743108 [0,1,0,0,0,0|3,0,0]=4 3192 B13R0.338 CCCCOCCC(=O)CCSCC 1458a_100000230768_100000743108 [0,1,0,0,0,0|3,0,0]=4 3193 B13R0.338 CCCCOCCC(=O)COCCC 1458a_100000745993_100000743108 [0,1,0,0,0,0|3,0,0]=4 3194 B13R0.338 CCCCOCCC(=O)CSCCC 1458a_100000217233_100000743108 [0,1,0,0,0,0|3,0,0]=4 3195 B13R0.338 CCCOCC(=O)CCCCCCF 1458a_100000745993_100015922095 [0,1,0,0,0,0|3,0,0]=4 3196 B13R0.338 CCCOCC(=O)CCCCCCO 1458a_100000745993_100000766143 [0,1,0,0,0,0|3,0,0]=4 3197 B13R0.338 CCCOCC(=O)CCOCCOC 1458a_100000745993_100000695917 [0,1,0,0,0,0|2,1,0]=4 3198 B13R0.338 CCCOCC(=O)NCCCCCO 240690a_100000762737_100000745993 [0,1,0,0,0,0|3,0,0]=4 3199 B13R0.338 CCCOCC(=O)NCCCOCC 11a_100000210961_100000745993 [0,1,0,0,0,0|2,1,0]=4 3200 B13R0.338 CCCOCC(=O)NCCCOCC 1626a_100000210961_100000745993 [0,1,0,0,0,0|2,1,0]=4 3201 B13R0.338 CCCOCC(=O)NCCCOCC 240690a_100000210961_100000745993 [0,1,0,0,0,0|2,1,0]=4 3202 B13R0.338 CCCOCC(=O)NCCCOCC 527a_100000210961_100000745993 [0,1,0,0,0,0|2,1,0]=4 3203 B13R0.338 CCCOCC(=O)NCCSCCC 11a_100020603323_100000745993 [0,1,0,0,0,0|3,0,0]=4 3204 B13R0.338 CCCOCC(=O)NCCSCCC 240690a_100020603323_100000745993 [0,1,0,0,0,0|3,0,0]=4 3205 B13R0.338 CCCOCC(=O)NCCSCCC 527a_100020603323_100000745993 [0,1,0,0,0,0|3,0,0]=4 3206 B13R0.338 CCCOCC(=O)NNCCCOC 22a_100025702787_100000745993 [0,1,0,0,0,0|2,1,0]=4 3207 B13R0.338 CCCOCCNC(=O)CCCCO 1626a_100161115042_100000695505 [0,1,0,0,0,0|3,0,0]=4 3208 B13R0.338 CCCOCCNC(=O)CCCOC 1626a_100161115042_100000741012 [0,1,0,0,0,0|3,0,0]=4 3209 B13R0.338 CCCOCCNC(=O)CCCOC 240690a_100161115042_100000741012 [0,1,0,0,0,0|3,0,0]=4 3210 B13R0.338 CCCOCCNC(=O)CCCOC 527a_100161115042_100000741012 [0,1,0,0,0,0|3,0,0]=4 3211 B13R0.338 CCCOCCNC(=O)CCCSC 1626a_100161115042_100000173376 [0,1,0,0,0,0|3,0,0]=4 3212 B13R0.338 CCCOCCNC(=O)CCCSC 240690a_100161115042_100000173376 [0,1,0,0,0,0|3,0,0]=4 3213 B13R0.338 CCCOCCNC(=O)CCCSC 527a_100161115042_100000173376 [0,1,0,0,0,0|3,0,0]=4 3214 B13R0.338 CCCOCCNC(=O)CCOCC 1626a_100161115042_100000749530 [0,1,0,0,0,0|3,0,0]=4 3215 B13R0.338 CCCOCCNC(=O)CCOCC 240690a_100161115042_100000749530 [0,1,0,0,0,0|3,0,0]=4 3216 B13R0.338 CCCOCCNC(=O)CCOCC 527a_100161115042_100000749530 [0,1,0,0,0,0|3,0,0]=4 3217 B13R0.338 CCCOCCNC(=O)CCSCC 1626a_100161115042_100000230768 [0,1,0,0,0,0|3,0,0]=4 3218 B13R0.338 CCCOCCNC(=O)CCSCC 240690a_100161115042_100000230768 [0,1,0,0,0,0|3,0,0]=4 3219 B13R0.338 CCCOCCNC(=O)CCSCC 527a_100161115042_100000230768 [0,1,0,0,0,0|3,0,0]=4 3220 B13R0.338 CCCOCCNC(=O)COCCC 1626a_100161115042_100000745993 [0,1,0,0,0,0|3,0,0]=4 3221 B13R0.338 CCCOCCNC(=O)COCCC 240690a_100161115042_100000745993 [0,1,0,0,0,0|3,0,0]=4 3222 B13R0.338 CCCOCCNC(=O)COCCC 527a_100161115042_100000745993 [0,1,0,0,0,0|3,0,0]=4 3223 B13R0.338 CCCOCCNC(=O)CSCCC 1626a_100161115042_100000217233 [0,1,0,0,0,0|3,0,0]=4 3224 B13R0.338 CCCOCCNC(=O)CSCCC 240690a_100161115042_100000217233 [0,1,0,0,0,0|3,0,0]=4 3225 B13R0.338 CCCOCCNC(=O)CSCCC 527a_100161115042_100000217233 [0,1,0,0,0,0|3,0,0]=4 3226 B13R0.338 CCCSCC(=O)CCCCCCF 1458a_100000217233_100015922095 [0,1,0,0,0,0|3,0,0]=4 3227 B13R0.338 CCCSCC(=O)CCCCCCO 1458a_100000217233_100000766143 [0,1,0,0,0,0|3,0,0]=4 3228 B13R0.338 CCCSCC(=O)CCOCCOC 1458a_100000217233_100000695917 [0,1,0,0,0,0|2,1,0]=4 3229 B13R0.338 CCCSCC(=O)NCCCCCO 240690a_100000762737_100000217233 [0,1,0,0,0,0|3,0,0]=4 3230 B13R0.338 CCCSCC(=O)NCCCOCC 11a_100000210961_100000217233 [0,1,0,0,0,0|2,1,0]=4 3231 B13R0.338 CCCSCC(=O)NCCCOCC 1626a_100000210961_100000217233 [0,1,0,0,0,0|2,1,0]=4 3232 B13R0.338 CCCSCC(=O)NCCCOCC 240690a_100000210961_100000217233 [0,1,0,0,0,0|2,1,0]=4 3233 B13R0.338 CCCSCC(=O)NCCCOCC 527a_100000210961_100000217233 [0,1,0,0,0,0|2,1,0]=4 3234 B13R0.338 CCCSCC(=O)NNCCCOC 22a_100025702787_100000217233 [0,1,0,0,0,0|2,1,0]=4 3235 B13R0.338 CCCSCCNC(=O)CCCOC 11a_100020603323_100000741012 [0,1,0,0,0,0|3,0,0]=4 3236 B13R0.338 CCCSCCNC(=O)CCCOC 240690a_100020603323_100000741012 [0,1,0,0,0,0|3,0,0]=4 3237 B13R0.338 CCCSCCNC(=O)CCCOC 527a_100020603323_100000741012 [0,1,0,0,0,0|3,0,0]=4 3238 B13R0.338 CCCSCCNC(=O)CCCSC 11a_100020603323_100000173376 [0,1,0,0,0,0|3,0,0]=4 3239 B13R0.338 CCCSCCNC(=O)CCCSC 240690a_100020603323_100000173376 [0,1,0,0,0,0|3,0,0]=4 3240 B13R0.338 CCCSCCNC(=O)CCCSC 527a_100020603323_100000173376 [0,1,0,0,0,0|3,0,0]=4 3241 B13R0.338 CCCSCCNC(=O)CCOCC 11a_100020603323_100000749530 [0,1,0,0,0,0|3,0,0]=4 3242 B13R0.338 CCCSCCNC(=O)CCOCC 240690a_100020603323_100000749530 [0,1,0,0,0,0|3,0,0]=4 3243 B13R0.338 CCCSCCNC(=O)CCOCC 527a_100020603323_100000749530 [0,1,0,0,0,0|3,0,0]=4 3244 B13R0.338 CCCSCCNC(=O)CCSCC 11a_100020603323_100000230768 [0,1,0,0,0,0|3,0,0]=4 3245 B13R0.338 CCCSCCNC(=O)CCSCC 240690a_100020603323_100000230768 [0,1,0,0,0,0|3,0,0]=4 3246 B13R0.338 CCCSCCNC(=O)CCSCC 527a_100020603323_100000230768 [0,1,0,0,0,0|3,0,0]=4 3247 B13R0.338 CCCSCCNC(=O)CSCCC 11a_100020603323_100000217233 [0,1,0,0,0,0|3,0,0]=4 3248 B13R0.338 CCCSCCNC(=O)CSCCC 240690a_100020603323_100000217233 [0,1,0,0,0,0|3,0,0]=4 3249 B13R0.338 CCCSCCNC(=O)CSCCC 527a_100020603323_100000217233 [0,1,0,0,0,0|3,0,0]=4 3250 B13R0.338 CCOCCC(=O)CCCCCCF 1458a_100000749530_100015922095 [0,1,0,0,0,0|3,0,0]=4 3251 B13R0.338 CCOCCC(=O)CCCCCCO 1458a_100000749530_100000766143 [0,1,0,0,0,0|3,0,0]=4 3252 B13R0.338 CCOCCC(=O)CCCCCCO 1458a_100011996774_100011215890 [0,1,0,0,0,0|3,0,0]=4 3253 B13R0.338 CCOCCC(=O)CCCCCOC 1458a_100011935119_100011215890 [0,1,0,0,0,0|2,1,0]=4 3254 B13R0.338 CCOCCC(=O)CCOCCOC 1458a_100000745395_100011215890 [0,1,0,0,0,0|2,1,0]=4 3255 B13R0.338 CCOCCC(=O)CCOCCOC 1458a_100000749530_100000695917 [0,1,0,0,0,0|2,1,0]=4 3256 B13R0.338 CCOCCC(=O)NCCCCCO 240690a_100000762737_100000749530 [0,1,0,0,0,0|3,0,0]=4 3257 B13R0.338 CCOCCC(=O)NNCCCOC 22a_100025702787_100000749530 [0,1,0,0,0,0|2,1,0]=4 3258 B13R0.338 CCOCCCNC(=O)CCCCO 1626a_100000210961_100000695505 [0,1,0,0,0,0|2,1,0]=4 3259 B13R0.338 CCOCCCNC(=O)CCCOC 11a_100000210961_100000741012 [0,1,0,0,0,0|2,1,0]=4 3260 B13R0.338 CCOCCCNC(=O)CCCOC 1626a_100000210961_100000741012 [0,1,0,0,0,0|2,1,0]=4 3261 B13R0.338 CCOCCCNC(=O)CCCOC 240690a_100000210961_100000741012 [0,1,0,0,0,0|2,1,0]=4 3262 B13R0.338 CCOCCCNC(=O)CCCOC 527a_100000210961_100000741012 [0,1,0,0,0,0|2,1,0]=4 3263 B13R0.338 CCOCCCNC(=O)CCCSC 11a_100000210961_100000173376 [0,1,0,0,0,0|2,1,0]=4 3264 B13R0.338 CCOCCCNC(=O)CCCSC 1626a_100000210961_100000173376 [0,1,0,0,0,0|2,1,0]=4 3265 B13R0.338 CCOCCCNC(=O)CCCSC 240690a_100000210961_100000173376 [0,1,0,0,0,0|2,1,0]=4 3266 B13R0.338 CCOCCCNC(=O)CCCSC 527a_100000210961_100000173376 [0,1,0,0,0,0|2,1,0]=4 3267 B13R0.338 CCOCCCNC(=O)CCOCC 11a_100000210961_100000749530 [0,1,0,0,0,0|2,1,0]=4 3268 B13R0.338 CCOCCCNC(=O)CCOCC 1626a_100000210961_100000749530 [0,1,0,0,0,0|2,1,0]=4 3269 B13R0.338 CCOCCCNC(=O)CCOCC 240690a_100000210961_100000749530 [0,1,0,0,0,0|2,1,0]=4 3270 B13R0.338 CCOCCCNC(=O)CCOCC 527a_100000210961_100000749530 [0,1,0,0,0,0|2,1,0]=4 3271 B13R0.338 CCOCCCNC(=O)CCSCC 11a_100000210961_100000230768 [0,1,0,0,0,0|2,1,0]=4 3272 B13R0.338 CCOCCCNC(=O)CCSCC 1626a_100000210961_100000230768 [0,1,0,0,0,0|2,1,0]=4 3273 B13R0.338 CCOCCCNC(=O)CCSCC 240690a_100000210961_100000230768 [0,1,0,0,0,0|2,1,0]=4 3274 B13R0.338 CCOCCCNC(=O)CCSCC 527a_100000210961_100000230768 [0,1,0,0,0,0|2,1,0]=4 3275 B13R0.338 CCSCCC(=O)CCCCCCF 1458a_100000230768_100015922095 [0,1,0,0,0,0|3,0,0]=4 3276 B13R0.338 CCSCCC(=O)CCCCCCO 1458a_100000230768_100000766143 [0,1,0,0,0,0|3,0,0]=4 3277 B13R0.338 CCSCCC(=O)CCCCCCO 1458a_100011996774_100000757381 [0,1,0,0,0,0|3,0,0]=4 3278 B13R0.338 CCSCCC(=O)CCCCCOC 1458a_100011935119_100000757381 [0,1,0,0,0,0|2,1,0]=4 3279 B13R0.338 CCSCCC(=O)CCOCCOC 1458a_100000230768_100000695917 [0,1,0,0,0,0|2,1,0]=4 3280 B13R0.338 CCSCCC(=O)CCOCCOC 1458a_100000745395_100000757381 [0,1,0,0,0,0|2,1,0]=4 3281 B13R0.338 CCSCCC(=O)NCCCCCO 240690a_100000762737_100000230768 [0,1,0,0,0,0|3,0,0]=4 3282 B13R0.338 CCSCCC(=O)NNCCCOC 22a_100025702787_100000230768 [0,1,0,0,0,0|2,1,0]=4 3283 B13R0.338 CNCCCOCC(=O)NCCOC 34a_100000213112_100000183275 [0,1,0,0,0,0|3,0,0]=4 3284 B13R0.338 CNCCCOCC(=O)OCCOC 34a_100000213112_200000040189 [0,1,0,0,0,0|3,0,0]=4 3285 B13R0.338 COCCCC(=O)CCCCCCF 1458a_100000741012_100015922095 [0,1,0,0,0,0|3,0,0]=4 3286 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100000741012_100000766143 [0,1,0,0,0,0|3,0,0]=4 3287 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100011996774_100000740836 [0,1,0,0,0,0|3,0,0]=4 3288 B13R0.338 COCCCC(=O)CCOCCOC 1458a_100000741012_100000695917 [0,1,0,0,0,0|2,1,0]=4 3289 B13R0.338 COCCCC(=O)CCOCCOC 1458a_100000745395_100000740836 [0,1,0,0,0,0|2,1,0]=4 3290 B13R0.338 COCCCC(=O)NCCCCCO 240690a_100000762737_100000741012 [0,1,0,0,0,0|3,0,0]=4 3291 B13R0.338 COCCCCCC(=O)CCCCF 1458a_100011935119_100000729493 [0,1,0,0,0,0|2,1,0]=4 3292 B13R0.338 COCCCCCC(=O)CCCCO 1458a_100011935119_100000210776 [0,1,0,0,0,0|2,1,0]=4 3293 B13R0.338 COCCCCCC(=O)CCCOC 1458a_100011935119_100000740836 [0,1,0,0,0,0|2,1,0]=4 3294 B13R0.338 COCCCNNC(=O)CCCOC 22a_100025702787_100000741012 [0,1,0,0,0,0|2,1,0]=4 3295 B13R0.338 COCCCNNC(=O)CCCSC 22a_100025702787_100000173376 [0,1,0,0,0,0|2,1,0]=4 3296 B13R0.338 COCCCOCC(=O)NCCOC 34a_100000740835_100000183275 [0,1,0,0,0,0|2,1,0]=4 3297 B13R0.338 COCCCOCC(=O)OCCOC 34a_100000740835_200000040189 [0,1,0,0,0,0|2,1,0]=4 3298 B13R0.338 COCCNC(=O)CNCCCSC 2230a_100000749238_100000183275 [0,1,0,0,0,0|3,0,0]=4 3299 B13R0.338 COCCNC(=O)COCCCSC 34a_100000690336_100000183275 [0,1,0,0,0,0|2,0,0]=3 3300 B13R0.338 COCCNC(=O)COCCCSC 7a_100000690336_100000183275 [0,1,0,0,0,0|2,0,0]=3 3301 B13R0.338 COCCOC(=O)CNCCCSC 2230a_100000749238_200000040189 [0,1,0,0,0,0|3,0,0]=4 3302 B13R0.338 COCCOC(=O)COCCCSC 34a_100000690336_200000040189 [0,1,0,0,0,0|2,0,0]=3 3303 B13R0.338 COCCOC(=O)COCCCSC 7a_100000690336_200000040189 [0,1,0,0,0,0|2,0,0]=3 3304 B13R0.338 COCCOCCC(=O)CCCCF 1458a_100000745395_100000729493 [0,1,0,0,0,0|2,1,0]=4 3305 B13R0.338 COCCOCCC(=O)CCCCO 1458a_100000695505_100000695917 [0,1,0,0,0,0|2,1,0]=4 3306 B13R0.338 COCCOCCC(=O)CCCCO 1458a_100000745395_100000210776 [0,1,0,0,0,0|2,1,0]=4 3307 B13R0.338 COCCOCCC(=O)CCCSC 1458a_100000173376_100000695917 [0,1,0,0,0,0|2,1,0]=4 3308 B13R0.338 CSCCCC(=O)CCCCCCF 1458a_100000173376_100015922095 [0,1,0,0,0,0|3,0,0]=4 3309 B13R0.338 CSCCCC(=O)CCCCCCO 1458a_100000173376_100000766143 [0,1,0,0,0,0|3,0,0]=4 3310 B13R0.338 CSCCCC(=O)NCCCCCO 240690a_100000762737_100000173376 [0,1,0,0,0,0|3,0,0]=4 3311 B13R0.338 O=C(CCCCF)CCCCCCO 1458a_100011996774_100000729493 [0,1,0,0,0,0|3,0,0]=4 3312 B13R0.338 O=C(CCCCO)CCCCCCF 1458a_100000695505_100015922095 [0,1,0,0,0,0|3,0,0]=4 3313 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100000695505_100000766143 [0,1,0,0,0,0|3,0,0]=4 3314 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100011996774_100000210776 [0,1,0,0,0,0|3,0,0]=4 3315 B13R0.398 CCCCCC(=O)C(C)CCCCC 1458a_100000212188_200011218191 [0,1,0,0,0,0|2,0,0]=3 3316 B13R0.398 CCCCCC(=O)C(C)CCCCC 1458a_100011215998_100000210326 [0,1,0,0,0,0|2,0,0]=3 3317 B13R0.398 CCCCCC(=O)C(C)SCCCC 1458a_100000191163_100000210326 [0,1,0,0,0,0|3,0,0]=4 3318 B13R0.398 CCCCCC(=O)N(C)CCCCC 11a_100000223495_100000212188 [0,1,0,0,0,0|2,0,0]=3 3319 B13R0.398 CCCCCC(=O)N(C)CCCCC 1626a_100000223495_100000212188 [0,1,0,0,0,0|2,0,0]=3 3320 B13R0.398 CCCCCC(=O)N(C)CCCCC 240690a_100000223495_100000212188 [0,1,0,0,0,0|2,0,0]=3 3321 B13R0.398 CCCCCC(=O)N(C)CCCCC 527a_100000223495_100000212188 [0,1,0,0,0,0|2,0,0]=3 3322 B13R0.398 CCCCCC(=O)N(C)CCCCO 240690a_100000717598_100000212188 [0,1,0,0,0,0|3,0,0]=4 3323 B13R0.398 CCCCCC(=O)N(C)CCCOC 11a_100000224831_100000212188 [0,1,0,0,0,0|1,1,0]=3 3324 B13R0.398 CCCCCC(=O)N(C)CCCOC 1626a_100000224831_100000212188 [0,1,0,0,0,0|1,1,0]=3 3325 B13R0.398 CCCCCC(=O)N(C)CCCOC 240690a_100000224831_100000212188 [0,1,0,0,0,0|1,1,0]=3 3326 B13R0.398 CCCCCC(=O)N(C)CCCOC 527a_100000224831_100000212188 [0,1,0,0,0,0|1,1,0]=3 3327 B13R0.398 CCCCCC(C)C(=O)CCCCF 1458a_100011215998_100000729493 [0,1,0,0,0,0|3,0,0]=4 3328 B13R0.398 CCCCCC(C)C(=O)CCCCO 1458a_100000695505_200011218191 [0,1,0,0,0,0|3,0,0]=4 3329 B13R0.398 CCCCCC(C)C(=O)CCCCO 1458a_100011215998_100000210776 [0,1,0,0,0,0|3,0,0]=4 3330 B13R0.398 CCCCCC(C)C(=O)CCCOC 1458a_100000741012_200011218191 [0,1,0,0,0,0|3,0,0]=4 3331 B13R0.398 CCCCCC(C)C(=O)CCCOC 1458a_100011215998_100000740836 [0,1,0,0,0,0|3,0,0]=4 3332 B13R0.398 CCCCCC(C)C(=O)CCCSC 1458a_100000173376_200011218191 [0,1,0,0,0,0|2,0,1]=4 3333 B13R0.398 CCCCCC(C)C(=O)CCOCC 1458a_100000749530_200011218191 [0,1,0,0,0,0|3,0,0]=4 3334 B13R0.398 CCCCCC(C)C(=O)CCOCC 1458a_100011215998_100011215890 [0,1,0,0,0,0|3,0,0]=4 3335 B13R0.398 CCCCCC(C)C(=O)CCSCC 1458a_100000230768_200011218191 [0,1,0,0,0,0|3,0,0]=4 3336 B13R0.398 CCCCCC(C)C(=O)CCSCC 1458a_100011215998_100000757381 [0,1,0,0,0,0|3,0,0]=4 3337 B13R0.398 CCCCCC(C)C(=O)COCCC 1458a_100000745993_200011218191 [0,1,0,0,0,0|3,0,0]=4 3338 B13R0.398 CCCCCC(C)C(=O)CSCCC 1458a_100000217233_200011218191 [0,1,0,0,0,0|3,0,0]=4 3339 B13R0.398 CCCCCC(C)C(=O)NCCCC 11a_100000102301_100011215998 [0,1,0,0,0,0|3,0,0]=4 3340 B13R0.398 CCCCCC(C)C(=O)NCCCC 1626a_100000102301_100011215998 [0,1,0,0,0,0|3,0,0]=4 3341 B13R0.398 CCCCCC(C)C(=O)NCCCC 240690a_100000102301_100011215998 [0,1,0,0,0,0|3,0,0]=4 3342 B13R0.398 CCCCCC(C)C(=O)NCCCC 527a_100000102301_100011215998 [0,1,0,0,0,0|3,0,0]=4 3343 B13R0.398 CCCCCN(C)C(=O)CCCCO 1626a_100000223495_100000695505 [0,1,0,0,0,0|3,0,0]=4 3344 B13R0.398 CCCCCN(C)C(=O)CCCOC 11a_100000223495_100000741012 [0,1,0,0,0,0|3,0,0]=4 3345 B13R0.398 CCCCCN(C)C(=O)CCCOC 1626a_100000223495_100000741012 [0,1,0,0,0,0|3,0,0]=4 3346 B13R0.398 CCCCCN(C)C(=O)CCCOC 240690a_100000223495_100000741012 [0,1,0,0,0,0|3,0,0]=4 3347 B13R0.398 CCCCCN(C)C(=O)CCCOC 527a_100000223495_100000741012 [0,1,0,0,0,0|3,0,0]=4 3348 B13R0.398 CCCCCN(C)C(=O)CCCSC 11a_100000223495_100000173376 [0,1,0,0,0,0|3,0,0]=4 3349 B13R0.398 CCCCCN(C)C(=O)CCCSC 1626a_100000223495_100000173376 [0,1,0,0,0,0|3,0,0]=4 3350 B13R0.398 CCCCCN(C)C(=O)CCCSC 240690a_100000223495_100000173376 [0,1,0,0,0,0|3,0,0]=4 3351 B13R0.398 CCCCCN(C)C(=O)CCCSC 527a_100000223495_100000173376 [0,1,0,0,0,0|3,0,0]=4 3352 B13R0.398 CCCCCN(C)C(=O)CCOCC 11a_100000223495_100000749530 [0,1,0,0,0,0|3,0,0]=4 3353 B13R0.398 CCCCCN(C)C(=O)CCOCC 1626a_100000223495_100000749530 [0,1,0,0,0,0|3,0,0]=4 3354 B13R0.398 CCCCCN(C)C(=O)CCOCC 240690a_100000223495_100000749530 [0,1,0,0,0,0|3,0,0]=4 3355 B13R0.398 CCCCCN(C)C(=O)CCOCC 527a_100000223495_100000749530 [0,1,0,0,0,0|3,0,0]=4 3356 B13R0.398 CCCCCN(C)C(=O)CCSCC 11a_100000223495_100000230768 [0,1,0,0,0,0|3,0,0]=4 3357 B13R0.398 CCCCCN(C)C(=O)CCSCC 1626a_100000223495_100000230768 [0,1,0,0,0,0|3,0,0]=4 3358 B13R0.398 CCCCCN(C)C(=O)CCSCC 240690a_100000223495_100000230768 [0,1,0,0,0,0|3,0,0]=4 3359 B13R0.398 CCCCCN(C)C(=O)CCSCC 527a_100000223495_100000230768 [0,1,0,0,0,0|3,0,0]=4 3360 B13R0.398 CCCCCN(C)C(=O)COCCC 11a_100000223495_100000745993 [0,1,0,0,0,0|3,0,0]=4 3361 B13R0.398 CCCCCN(C)C(=O)COCCC 1626a_100000223495_100000745993 [0,1,0,0,0,0|3,0,0]=4 3362 B13R0.398 CCCCCN(C)C(=O)COCCC 240690a_100000223495_100000745993 [0,1,0,0,0,0|3,0,0]=4 3363 B13R0.398 CCCCCN(C)C(=O)COCCC 527a_100000223495_100000745993 [0,1,0,0,0,0|3,0,0]=4 3364 B13R0.398 CCCCCN(C)C(=O)CSCCC 11a_100000223495_100000217233 [0,1,0,0,0,0|3,0,0]=4 3365 B13R0.398 CCCCCN(C)C(=O)CSCCC 1626a_100000223495_100000217233 [0,1,0,0,0,0|3,0,0]=4 3366 B13R0.398 CCCCCN(C)C(=O)CSCCC 240690a_100000223495_100000217233 [0,1,0,0,0,0|3,0,0]=4 3367 B13R0.398 CCCCCN(C)C(=O)CSCCC 527a_100000223495_100000217233 [0,1,0,0,0,0|3,0,0]=4 3368 B13R0.398 CCCCCN(C)C(=O)NCCCC 2708a_100000102301_100000223495 [0,1,0,0,0,0|3,0,0]=4 3369 B13R0.398 CCCCCN(C)C(=O)NCCCC 273464a_100000102301_100000223495 [0,1,0,0,0,0|3,0,0]=4 3370 B13R0.398 CCCCCN(C)C(C)CCCSC 270004a_100000223495_100011399439 [0,1,0,0,0,0|3,0,0]=4 3371 B13R0.398 CCCCNC(=O)C(C)NCCSC 2230a_100020590264_100000735917 [0,1,0,0,0,0|3,0,0]=4 3372 B13R0.398 CCCCNC(=O)C(C)OCCSC 34a_100000230434_100000735917 [0,1,0,0,0,0|3,0,0]=4 3373 B13R0.398 CCCCNC(=O)C(C)OCCSC 7a_100000230434_100000735917 [0,1,0,0,0,0|3,0,0]=4 3374 B13R0.398 CCCCNC(=O)C(C)SCCSC 62a_100000212216_100000735917 [0,1,0,0,0,0|3,0,0]=4 3375 B13R0.398 CCCCNC(=O)C(C)SCCSC 62a_100000735917_100000751147 [0,1,0,0,0,0|3,0,0]=4 3376 B13R0.398 CCCCNC(=O)N(C)CCCOC 2708a_100000102301_100000224831 [0,1,0,0,0,0|2,1,0]=4 3377 B13R0.398 CCCCNC(=O)N(C)CCCOC 273464a_100000102301_100000224831 [0,1,0,0,0,0|2,1,0]=4 3378 B13R0.398 CCCCOC(=O)C(C)NCCSC 2230a_100020590264_100000759602 [0,1,0,0,0,0|3,0,0]=4 3379 B13R0.398 CCCCOC(=O)C(C)OCCSC 34a_100000038973_100000212216 [0,1,0,0,0,0|3,0,0]=4 3380 B13R0.398 CCCCOC(=O)C(C)OCCSC 34a_100000230434_100000759602 [0,1,0,0,0,0|3,0,0]=4 3381 B13R0.398 CCCCOC(=O)C(C)OCCSC 7a_100000038973_100000212216 [0,1,0,0,0,0|3,0,0]=4 3382 B13R0.398 CCCCOC(=O)C(C)OCCSC 7a_100000230434_100000759602 [0,1,0,0,0,0|3,0,0]=4 3383 B13R0.398 CCCCOC(=O)C(C)SCCSC 62a_100000212216_100000759602 [0,1,0,0,0,0|3,0,0]=4 3384 B13R0.398 CCCCOC(=O)C(C)SCCSC 62a_100000759602_100000751147 [0,1,0,0,0,0|3,0,0]=4 3385 B13R0.398 CCCOCC(=O)N(C)CCCOC 11a_100000224831_100000745993 [0,1,0,0,0,0|2,1,0]=4 3386 B13R0.398 CCCOCC(=O)N(C)CCCOC 1626a_100000224831_100000745993 [0,1,0,0,0,0|2,1,0]=4 3387 B13R0.398 CCCOCC(=O)N(C)CCCOC 240690a_100000224831_100000745993 [0,1,0,0,0,0|2,1,0]=4 3388 B13R0.398 CCCOCC(=O)N(C)CCCOC 527a_100000224831_100000745993 [0,1,0,0,0,0|2,1,0]=4 3389 B13R0.398 CCCSCC(=O)N(C)CCCOC 11a_100000224831_100000217233 [0,1,0,0,0,0|2,1,0]=4 3390 B13R0.398 CCCSCC(=O)N(C)CCCOC 1626a_100000224831_100000217233 [0,1,0,0,0,0|2,1,0]=4 3391 B13R0.398 CCCSCC(=O)N(C)CCCOC 240690a_100000224831_100000217233 [0,1,0,0,0,0|2,1,0]=4 3392 B13R0.398 CCCSCC(=O)N(C)CCCOC 527a_100000224831_100000217233 [0,1,0,0,0,0|2,1,0]=4 3393 B13R0.398 CCOCCC(=O)N(C)CCCOC 11a_100000224831_100000749530 [0,1,0,0,0,0|2,1,0]=4 3394 B13R0.398 CCOCCC(=O)N(C)CCCOC 1626a_100000224831_100000749530 [0,1,0,0,0,0|2,1,0]=4 3395 B13R0.398 CCOCCC(=O)N(C)CCCOC 240690a_100000224831_100000749530 [0,1,0,0,0,0|2,1,0]=4 3396 B13R0.398 CCOCCC(=O)N(C)CCCOC 527a_100000224831_100000749530 [0,1,0,0,0,0|2,1,0]=4 3397 B13R0.398 CCSCCC(=O)N(C)CCCOC 11a_100000224831_100000230768 [0,1,0,0,0,0|2,1,0]=4 3398 B13R0.398 CCSCCC(=O)N(C)CCCOC 1626a_100000224831_100000230768 [0,1,0,0,0,0|2,1,0]=4 3399 B13R0.398 CCSCCC(=O)N(C)CCCOC 240690a_100000224831_100000230768 [0,1,0,0,0,0|2,1,0]=4 3400 B13R0.398 CCSCCC(=O)N(C)CCCOC 527a_100000224831_100000230768 [0,1,0,0,0,0|2,1,0]=4 3401 B13R0.398 COCCCC(=O)N(C)CCCOC 11a_100000224831_100000741012 [0,1,0,0,0,0|2,1,0]=4 3402 B13R0.398 COCCCC(=O)N(C)CCCOC 1626a_100000224831_100000741012 [0,1,0,0,0,0|2,1,0]=4 3403 B13R0.398 COCCCC(=O)N(C)CCCOC 240690a_100000224831_100000741012 [0,1,0,0,0,0|2,1,0]=4 3404 B13R0.398 COCCCC(=O)N(C)CCCOC 527a_100000224831_100000741012 [0,1,0,0,0,0|2,1,0]=4 3405 B13R0.398 COCCCN(C)C(=O)CCCCO 1626a_100000224831_100000695505 [0,1,0,0,0,0|2,1,0]=4 3406 B13R0.398 COCCCN(C)C(=O)CCCSC 11a_100000224831_100000173376 [0,1,0,0,0,0|2,1,0]=4 3407 B13R0.398 COCCCN(C)C(=O)CCCSC 1626a_100000224831_100000173376 [0,1,0,0,0,0|2,1,0]=4 3408 B13R0.398 COCCCN(C)C(=O)CCCSC 240690a_100000224831_100000173376 [0,1,0,0,0,0|2,1,0]=4 3409 B13R0.398 COCCCN(C)C(=O)CCCSC 527a_100000224831_100000173376 [0,1,0,0,0,0|2,1,0]=4 3410 B13R0.1129 CCCCCNS(=O)(=O)CCCCC 270084a_100000209983_100000753860 [0,1,0,0,0,0|3,0,0]=4 3411 B13R0.1129 CCCCCNS(=O)(=O)CCCCC 274078a_100000209983_100000753860 [0,1,0,0,0,0|3,0,0]=4 3412 B13R0.1129 CCCCCS(=O)(=O)NCCCOC 270084a_100150723488_100000753860 [0,1,0,0,0,0|2,1,0]=4 3413 B13R0.1129 CCCCCS(=O)(=O)NCCCOC 274078a_100150723488_100000753860 [0,1,0,0,0,0|2,1,0]=4 3414 B13R0.1129 CCCCCS(=O)(=O)NCCCSC 270084a_100000749238_100000753860 [0,1,0,0,0,0|2,0,0]=3 3415 B13R0.1129 CCCCCS(=O)(=O)NCCCSC 274078a_100000749238_100000753860 [0,1,0,0,0,0|2,0,0]=3 3416 B13R0.1129 CCOCCS(=O)(=O)NCCCSC 270084a_100000749238_100000747040 [0,1,0,0,0,0|3,0,0]=4 3417 B13R0.1129 CCOCCS(=O)(=O)NCCCSC 274078a_100000749238_100000747040 [0,1,0,0,0,0|3,0,0]=4 3418 B13R0.1129 CSCCCNS(=O)(=O)CCCCCl 270084a_100000749238_100000021705 [0,1,0,0,0,0|3,0,0]=4 3419 B13R0.1170 C#CCCCCC(=O)CCC(C)CC 1458a_100000701222_100010269958 [0,1,0,0,0,0|2,0,1]=4 3420 B13R0.1170 C#CCCCNC(=O)CCC(C)CC 11a_100000718082_100000701222 [0,1,0,0,0,0|2,0,1]=4 3421 B13R0.1170 C#CCCCNC(=O)CCC(C)CC 1626a_100000718082_100000701222 [0,1,0,0,0,0|2,0,1]=4 3422 B13R0.1170 C#CCCCNC(=O)CCC(C)CC 240690a_100000718082_100000701222 [0,1,0,0,0,0|2,0,1]=4 3423 B13R0.1170 C#CCCCNC(=O)CCC(C)CC 527a_100000718082_100000701222 [0,1,0,0,0,0|2,0,1]=4 3424 B13R0.1170 C#CCCCNC(=O)CCC(O)CC 1626a_100000718082_203496584001 [0,1,0,0,0,0|2,0,1]=4 3425 B13R0.1170 C#CCCCNC(=O)CCC(O)CC 240690a_100000718082_203496584001 [0,1,0,0,0,0|2,0,1]=4 3426 B13R0.1170 C=CCCCCC(=O)CCC(C)CC 1458a_100000701222_100011215482 [0,1,0,0,0,0|2,0,1]=4 3427 B13R0.1170 C=CCCCNC(=O)CCC(C)CC 11a_100000700776_100000701222 [0,1,0,0,0,0|2,0,1]=4 3428 B13R0.1170 C=CCCCNC(=O)CCC(C)CC 1626a_100000700776_100000701222 [0,1,0,0,0,0|2,0,1]=4 3429 B13R0.1170 C=CCCCNC(=O)CCC(C)CC 240690a_100000700776_100000701222 [0,1,0,0,0,0|2,0,1]=4 3430 B13R0.1170 C=CCCCNC(=O)CCC(C)CC 527a_100000700776_100000701222 [0,1,0,0,0,0|2,0,1]=4 3431 B13R0.1170 C=CCCCNC(=O)CCC(O)CC 1626a_100000700776_203496584001 [0,1,0,0,0,0|2,0,1]=4 3432 B13R0.1170 C=CCCCNC(=O)CCC(O)CC 240690a_100000700776_203496584001 [0,1,0,0,0,0|2,0,1]=4 3433 B13R0.1170 CCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210202 [0,1,0,0,0,0|2,0,1]=4 3434 B13R0.1170 CCC(=O)NCC(=O)NCCCSC 11a_100000749238_100000194589 [0,1,0,0,0,0|2,0,1]=4 3435 B13R0.1170 CCC(=O)NCC(=O)NCCCSC 1626a_100000749238_100000194589 [0,1,0,0,0,0|2,0,1]=4 3436 B13R0.1170 CCC(=O)NCC(=O)NCCCSC 240690a_100000749238_100000194589 [0,1,0,0,0,0|2,0,1]=4 3437 B13R0.1170 CCC(=O)NCC(=O)NCCCSC 527a_100000749238_100000194589 [0,1,0,0,0,0|2,0,1]=4 3438 B13R0.1170 CCC(C)CCC(=O)CCCCC#N 1458a_100000701222_100000211819 [0,1,0,0,0,0|3,0,0]=4 3439 B13R0.1170 CCC(C)CCC(=O)CCCCCF 1458a_100000701222_100000729378 [0,1,0,0,0,0|3,0,0]=4 3440 B13R0.1170 CCC(C)CCC(=O)CCCCCO 1458a_100000701222_100000746330 [0,1,0,0,0,0|3,0,0]=4 3441 B13R0.1170 CCC(C)CCC(=O)CCCCOC 1458a_100000701222_100000755781 [0,1,0,0,0,0|1,1,0]=3 3442 B13R0.1170 CCC(C)CCC(=O)NCCCCO 240690a_100000750430_100000701222 [0,1,0,0,0,0|3,0,0]=4 3443 B13R0.1170 CCC(C)CCC(=O)NCCCCO 527a_100000750430_100000701222 [0,1,0,0,0,0|3,0,0]=4 3444 B13R0.1170 CCC(C)CCC(=O)NCCCOC 1626a_100150723488_100000701222 [0,1,0,0,0,0|1,1,0]=3 3445 B13R0.1170 CCC(C)CCC(=O)NCCCOC 240690a_100150723488_100000701222 [0,1,0,0,0,0|1,1,0]=3 3446 B13R0.1170 CCC(C)CCC(=O)NCCCOC 527a_100150723488_100000701222 [0,1,0,0,0,0|1,1,0]=3 3447 B13R0.1170 CCC(C)CCC(=O)NCCCSC 11a_100000749238_100000701222 [0,1,0,0,0,0|1,0,0]=2 3448 B13R0.1170 CCC(C)CCC(=O)NCCCSC 1626a_100000749238_100000701222 [0,1,0,0,0,0|1,0,0]=2 3449 B13R0.1170 CCC(C)CCC(=O)NCCCSC 240690a_100000749238_100000701222 [0,1,0,0,0,0|1,0,0]=2 3450 B13R0.1170 CCC(C)CCC(=O)NCCCSC 527a_100000749238_100000701222 [0,1,0,0,0,0|1,0,0]=2 3451 B13R0.1170 CCC(C)CCC(=O)NNCCOC 22a_100000741390_100000701222 [0,1,0,0,0,0|2,1,0]=4 3452 B13R0.1170 CCC(C)CCC(C)OCCCOC 7a_200011216552_100000740836 [0,1,0,0,0,0|1,1,1]=4 3453 B13R0.1170 CCC(C)CNC(=O)NCCCOC 2708a_100020588543_100150723488 [0,1,0,0,0,0|2,1,0]=4 3454 B13R0.1170 CCC(C)CNC(=O)NCCCOC 2708a_100150723488_100020588543 [0,1,0,0,0,0|2,1,0]=4 3455 B13R0.1170 CCC(C)CNC(=O)NCCCOC 273464a_100020588543_100150723488 [0,1,0,0,0,0|2,1,0]=4 3456 B13R0.1170 CCC(C)CNC(=O)NCCCOC 273464a_100150723488_100020588543 [0,1,0,0,0,0|2,1,0]=4 3457 B13R0.1170 CCC(C)CNC(=O)NCCCOC 512a_100020588543_100150723488 [0,1,0,0,0,0|2,1,0]=4 3458 B13R0.1170 CCC(C)CNC(=O)NCCCSC 2708a_100000749238_100020588543 [0,1,0,0,0,0|2,0,0]=3 3459 B13R0.1170 CCC(C)CNC(=O)NCCCSC 2708a_100020588543_100000749238 [0,1,0,0,0,0|2,0,0]=3 3460 B13R0.1170 CCC(C)CNC(=O)NCCCSC 273464a_100000749238_100020588543 [0,1,0,0,0,0|2,0,0]=3 3461 B13R0.1170 CCC(C)CNC(=O)NCCCSC 273464a_100020588543_100000749238 [0,1,0,0,0,0|2,0,0]=3 3462 B13R0.1170 CCC(C)CNC(=O)NCCCSC 512a_100000749238_100020588543 [0,1,0,0,0,0|2,0,0]=3 3463 B13R0.1170 CCC(C)CNC(=O)NCCCSC 512a_100020588543_100000749238 [0,1,0,0,0,0|2,0,0]=3 3464 B13R0.1170 CCC(C)NCC(=O)NCCCOC 2230a_100000209981_100000183178 [0,1,0,0,0,0|2,1,0]=4 3465 B13R0.1170 CCC(C)NNC(=O)NCCCSC 273464a_100000749238_100000718999 [0,1,0,0,0,0|3,0,0]=4 3466 B13R0.1170 CCC(C)NNC(=O)NCCCSC 512a_100000718999_100000749238 [0,1,0,0,0,0|3,0,0]=4 3467 B13R0.1170 CCC(C)NNC(=O)NCCCSC 512a_100000749238_100000718999 [0,1,0,0,0,0|3,0,0]=4 3468 B13R0.1170 CCC(C)OCC(=O)NCCCOC 7a_100000210228_100000183178 [0,1,0,0,0,0|2,1,0]=4 3469 B13R0.1170 CCC(C)SCC(=O)NCCCOC 62a_100000183178_100000758301 [0,1,0,0,0,0|2,1,0]=4 3470 B13R0.1170 CCC(O)CCC(=O)NCCCCO 240690a_100000750430_203496584001 [0,1,0,0,0,0|3,0,0]=4 3471 B13R0.1170 CCC(O)CCC(=O)NCCCOC 1626a_100150723488_203496584001 [0,1,0,0,0,0|1,1,0]=3 3472 B13R0.1170 CCC(O)CCC(=O)NCCCOC 240690a_100150723488_203496584001 [0,1,0,0,0,0|1,1,0]=3 3473 B13R0.1170 CCC(O)CCC(=O)NCCCSC 1626a_100000749238_203496584001 [0,1,0,0,0,0|1,0,0]=2 3474 B13R0.1170 CCC(O)CCC(=O)NCCCSC 240690a_100000749238_203496584001 [0,1,0,0,0,0|1,0,0]=2 3475 B13R0.1170 CCC(O)CCC(=O)NNCCOC 22a_100000741390_203496584001 [0,1,0,0,0,0|2,1,0]=4 3476 B13R0.1170 CCC(O)CNC(=O)NCCCOC 2708a_100150723488_100011218483 [0,1,0,0,0,0|2,1,0]=4 3477 B13R0.1170 CCC(O)CNC(=O)NCCCOC 273464a_100011218483_100150723488 [0,1,0,0,0,0|2,1,0]=4 3478 B13R0.1170 CCC(O)CNC(=O)NCCCOC 273464a_100150723488_100011218483 [0,1,0,0,0,0|2,1,0]=4 3479 B13R0.1170 CCC(O)CNC(=O)NCCCOC 512a_100011218483_100150723488 [0,1,0,0,0,0|2,1,0]=4 3480 B13R0.1170 CCC(O)CNC(=O)NCCCSC 2708a_100000749238_100011218483 [0,1,0,0,0,0|2,0,0]=3 3481 B13R0.1170 CCC(O)CNC(=O)NCCCSC 273464a_100000749238_100011218483 [0,1,0,0,0,0|2,0,0]=3 3482 B13R0.1170 CCC(O)CNC(=O)NCCCSC 273464a_100011218483_100000749238 [0,1,0,0,0,0|2,0,0]=3 3483 B13R0.1170 CCC(O)CNC(=O)NCCCSC 512a_100011218483_100000749238 [0,1,0,0,0,0|2,0,0]=3 3484 B13R0.1170 CCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210757 [0,1,0,0,0,0|2,0,0]=3 3485 B13R0.1170 CCCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210757 [0,1,0,0,0,0|3,0,0]=4 3486 B13R0.1170 CCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210757 [0,1,0,0,0,0|3,0,0]=4 3487 B13R0.1170 CCCCCCC(=O)NCC(C)CC 11a_100020588543_100102632555 [0,1,0,0,0,0|3,0,0]=4 3488 B13R0.1170 CCCCCCC(=O)NCC(C)CC 1626a_100020588543_100102632555 [0,1,0,0,0,0|3,0,0]=4 3489 B13R0.1170 CCCCCCC(=O)NCC(C)CC 240690a_100020588543_100102632555 [0,1,0,0,0,0|3,0,0]=4 3490 B13R0.1170 CCCCCCC(=O)NCC(C)CC 527a_100020588543_100102632555 [0,1,0,0,0,0|3,0,0]=4 3491 B13R0.1170 CCCCCCC(=O)NCC(O)CC 11a_100011218483_100102632555 [0,1,0,0,0,0|3,0,0]=4 3492 B13R0.1170 CCCCCCC(=O)NCC(O)CC 240690a_100011218483_100102632555 [0,1,0,0,0,0|3,0,0]=4 3493 B13R0.1170 CCCCCCC(=O)NCC(O)CC 527a_100011218483_100102632555 [0,1,0,0,0,0|3,0,0]=4 3494 B13R0.1170 CCCCCNC(=O)CCC(C)CC 11a_100000209983_100000701222 [0,1,0,0,0,0|2,0,0]=3 3495 B13R0.1170 CCCCCNC(=O)CCC(C)CC 1626a_100000209983_100000701222 [0,1,0,0,0,0|2,0,0]=3 3496 B13R0.1170 CCCCCNC(=O)CCC(C)CC 240690a_100000209983_100000701222 [0,1,0,0,0,0|2,0,0]=3 3497 B13R0.1170 CCCCCNC(=O)CCC(C)CC 527a_100000209983_100000701222 [0,1,0,0,0,0|2,0,0]=3 3498 B13R0.1170 CCCCCNC(=O)CCC(O)CC 1626a_100000209983_203496584001 [0,1,0,0,0,0|2,0,0]=3 3499 B13R0.1170 CCCCCNC(=O)CCC(O)CC 240690a_100000209983_203496584001 [0,1,0,0,0,0|2,0,0]=3 3500 B13R0.1170 CCCCCNC(=O)CCN(C)CC 240690a_100000209983_100000755305 [0,1,0,0,0,0|3,0,0]=4 3501 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 11a_100000209983_100011387550 [0,1,0,0,0,0|3,0,0]=4 3502 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 1626a_100000209983_100011387550 [0,1,0,0,0,0|3,0,0]=4 3503 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 240690a_100000209983_100011387550 [0,1,0,0,0,0|3,0,0]=4 3504 B13R0.1170 CCCCCNC(=O)CCS(=O)CC 527a_100000209983_100011387550 [0,1,0,0,0,0|3,0,0]=4 3505 B13R0.1170 CCCCCNC(=O)CNC(C)CC 2230a_100000209981_100000230301 [0,1,0,0,0,0|3,0,0]=4 3506 B13R0.1170 CCCCCNC(=O)COC(C)CC 7a_100000210228_100000230301 [0,1,0,0,0,0|3,0,0]=4 3507 B13R0.1170 CCCCCNC(=O)CSC(C)CC 62a_100000230301_100000758301 [0,1,0,0,0,0|3,0,0]=4 3508 B13R0.1170 CCCCCNC(=O)CSC(C)CC 62a_100000758301_100000230301 [0,1,0,0,0,0|3,0,0]=4 3509 B13R0.1170 CCCCCNC(=O)NCC(C)CC 2708a_100000209983_100020588543 [0,1,0,0,0,0|3,0,0]=4 3510 B13R0.1170 CCCCCNC(=O)NCC(C)CC 2708a_100020588543_100000209983 [0,1,0,0,0,0|3,0,0]=4 3511 B13R0.1170 CCCCCNC(=O)NCC(C)CC 273464a_100000209983_100020588543 [0,1,0,0,0,0|3,0,0]=4 3512 B13R0.1170 CCCCCNC(=O)NCC(C)CC 273464a_100020588543_100000209983 [0,1,0,0,0,0|3,0,0]=4 3513 B13R0.1170 CCCCCNC(=O)NCC(C)CC 512a_100000209983_100020588543 [0,1,0,0,0,0|3,0,0]=4 3514 B13R0.1170 CCCCCNC(=O)NCC(C)CC 512a_100020588543_100000209983 [0,1,0,0,0,0|3,0,0]=4 3515 B13R0.1170 CCCCCNC(=O)NCC(O)CC 2708a_100000209983_100011218483 [0,1,0,0,0,0|3,0,0]=4 3516 B13R0.1170 CCCCCNC(=O)NCC(O)CC 273464a_100000209983_100011218483 [0,1,0,0,0,0|3,0,0]=4 3517 B13R0.1170 CCCCCNC(=O)NCC(O)CC 273464a_100011218483_100000209983 [0,1,0,0,0,0|3,0,0]=4 3518 B13R0.1170 CCCCCNC(=O)NCC(O)CC 512a_100011218483_100000209983 [0,1,0,0,0,0|3,0,0]=4 3519 B13R0.1170 CCCCCOC(C)CCC(C)CC 7a_200011216552_100000210326 [0,1,0,0,0,0|2,0,1]=4 3520 B13R0.1170 CCCCNNC(=O)CCC(C)CC 22a_100025702795_100000701222 [0,1,0,0,0,0|3,0,0]=4 3521 B13R0.1170 CCCCNNC(=O)CCC(O)CC 22a_100025702795_203496584001 [0,1,0,0,0,0|3,0,0]=4 3522 B13R0.1170 CCCCOCC(=O)CCC(C)CC 1458a_100000701222_100011995733 [0,1,0,0,0,0|3,0,0]=4 3523 B13R0.1170 CCCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215938 [0,1,0,0,0,0|3,0,0]=4 3524 B13R0.1170 CCN(C)CCC(=O)CCCCOC 1458a_100000755305_100000755781 [0,1,0,0,0,0|2,1,0]=4 3525 B13R0.1170 CCN(C)CCC(=O)NCCCOC 240690a_100150723488_100000755305 [0,1,0,0,0,0|2,1,0]=4 3526 B13R0.1170 CCN(C)CCC(=O)NCCCSC 240690a_100000749238_100000755305 [0,1,0,0,0,0|2,0,0]=3 3527 B13R0.1170 CCOCCCC(=O)CCC(C)CC 1458a_100000701222_100012232248 [0,1,0,0,0,0|3,0,0]=4 3528 B13R0.1170 CCOCCNC(=O)CCC(C)CC 11a_100011200944_100000701222 [0,1,0,0,0,0|3,0,0]=4 3529 B13R0.1170 CCOCCNC(=O)CCC(C)CC 1626a_102516460346_100000701222 [0,1,0,0,0,0|3,0,0]=4 3530 B13R0.1170 CCOCCNC(=O)CCC(C)CC 240690a_100011200944_100000701222 [0,1,0,0,0,0|3,0,0]=4 3531 B13R0.1170 CCOCCNC(=O)CCC(C)CC 527a_100011200944_100000701222 [0,1,0,0,0,0|3,0,0]=4 3532 B13R0.1170 CCOCCNC(=O)CCC(O)CC 1626a_102516460346_203496584001 [0,1,0,0,0,0|3,0,0]=4 3533 B13R0.1170 CCOCCNC(=O)CCC(O)CC 240690a_100011200944_203496584001 [0,1,0,0,0,0|3,0,0]=4 3534 B13R0.1170 CCOCCOC(=O)CNC(C)CC 2230a_100000209981_200000101388 [0,1,0,0,0,0|3,0,0]=4 3535 B13R0.1170 CCOCCOC(=O)COC(C)CC 7a_100000210228_200000101388 [0,1,0,0,0,0|3,0,0]=4 3536 B13R0.1170 CCOCCOC(=O)CSC(C)CC 62a_100000758301_200000101388 [0,1,0,0,0,0|3,0,0]=4 3537 B13R0.1170 CCOCCOC(=O)CSC(C)CC 62a_200000101388_100000758301 [0,1,0,0,0,0|3,0,0]=4 3538 B13R0.1170 CCS(=O)CCC(=O)CCCCOC 1458a_100011387550_100000755781 [0,1,0,0,0,0|2,1,0]=4 3539 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 1626a_100150723488_100011387550 [0,1,0,0,0,0|2,1,0]=4 3540 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 240690a_100150723488_100011387550 [0,1,0,0,0,0|2,1,0]=4 3541 B13R0.1170 CCS(=O)CCC(=O)NCCCOC 527a_100150723488_100011387550 [0,1,0,0,0,0|2,1,0]=4 3542 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 11a_100000749238_100011387550 [0,1,0,0,0,0|2,0,0]=3 3543 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 1626a_100000749238_100011387550 [0,1,0,0,0,0|2,0,0]=3 3544 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 240690a_100000749238_100011387550 [0,1,0,0,0,0|2,0,0]=3 3545 B13R0.1170 CCS(=O)CCC(=O)NCCCSC 527a_100000749238_100011387550 [0,1,0,0,0,0|2,0,0]=3 3546 B13R0.1170 CCSCCNC(=O)CCC(C)CC 11a_100000106463_100000701222 [0,1,0,0,0,0|3,0,0]=4 3547 B13R0.1170 CCSCCNC(=O)CCC(C)CC 1626a_100000106463_100000701222 [0,1,0,0,0,0|3,0,0]=4 3548 B13R0.1170 CCSCCNC(=O)CCC(C)CC 240690a_100000106463_100000701222 [0,1,0,0,0,0|3,0,0]=4 3549 B13R0.1170 CCSCCNC(=O)CCC(C)CC 527a_100000106463_100000701222 [0,1,0,0,0,0|3,0,0]=4 3550 B13R0.1170 CCSCCNC(=O)CCC(O)CC 1626a_100000106463_203496584001 [0,1,0,0,0,0|3,0,0]=4 3551 B13R0.1170 CCSCCNC(=O)CCC(O)CC 240690a_100000106463_203496584001 [0,1,0,0,0,0|3,0,0]=4 3552 B13R0.1170 CNC(=O)CCC(=O)NCCCSC 11a_100000749238_100011309844 [0,1,0,0,0,0|2,0,1]=4 3553 B13R0.1170 CNC(=O)CCC(=O)NCCCSC 1626a_100000749238_100011309844 [0,1,0,0,0,0|2,0,1]=4 3554 B13R0.1170 CNC(=O)CCC(=O)NCCCSC 240690a_100000749238_100011309844 [0,1,0,0,0,0|2,0,1]=4 3555 B13R0.1170 CNC(=O)CCC(=O)NCCCSC 527a_100000749238_100011309844 [0,1,0,0,0,0|2,0,1]=4 3556 B13R0.1170 COC(=O)CCC(=O)NCCCSC 11a_100000749238_100000187943 [0,1,0,0,0,0|2,0,1]=4 3557 B13R0.1170 COC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000187943 [0,1,0,0,0,0|2,0,1]=4 3558 B13R0.1170 COC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000187943 [0,1,0,0,0,0|2,0,1]=4 3559 B13R0.1170 COC(=O)CCC(=O)NCCCSC 527a_100000749238_100000187943 [0,1,0,0,0,0|2,0,1]=4 3560 B13R0.1170 CO[C@H](C)CNC(=O)NCCCSC 2708a_100000749238_100020591295 [0,1,0,0,0,0|3,0,0]=4 3561 B13R0.1170 CO[C@H](C)CNC(=O)NCCCSC 2708a_100020591295_100000749238 [0,1,0,0,0,0|3,0,0]=4 3562 B13R0.1170 CO[C@H](C)CNC(=O)NCCCSC 273464a_100000749238_100020591295 [0,1,0,0,0,0|3,0,0]=4 3563 B13R0.1170 CO[C@H](C)CNC(=O)NCCCSC 273464a_100020591295_100000749238 [0,1,0,0,0,0|3,0,0]=4 3564 B13R0.1170 CO[C@H](C)CNC(=O)NCCCSC 512a_100000749238_100020591295 [0,1,0,0,0,0|3,0,0]=4 3565 B13R0.1170 CO[C@H](C)CNC(=O)NCCCSC 512a_100020591295_100000749238 [0,1,0,0,0,0|3,0,0]=4 3566 B13R0.1170 CSCCCNC(=O)NCC(C)CO 2708a_100000749238_100000744482 [0,1,0,0,0,0|3,0,0]=4 3567 B13R0.1170 CSCCCNC(=O)NCC(C)CO 273464a_100000744482_100000749238 [0,1,0,0,0,0|3,0,0]=4 3568 B13R0.1170 CSCCCNC(=O)NCC(C)CO 273464a_100000749238_100000744482 [0,1,0,0,0,0|3,0,0]=4 3569 B13R0.1170 CSCCCNC(=O)NCC(C)CO 512a_100000744482_100000749238 [0,1,0,0,0,0|3,0,0]=4 3570 B13R0.1170 CSCCCNC(=O)NCC(C)CO 512a_100000749238_100000744482 [0,1,0,0,0,0|3,0,0]=4 3571 B13R0.1170 CSCCCNC(=O)NC[C@@H](F)CO 2708a_100000749238_100015665980 [0,1,0,0,0,0|3,0,0]=4 3572 B13R0.1170 CSCCCNC(=O)NC[C@@H](F)CO 273464a_100000749238_100015665980 [0,1,0,0,0,0|3,0,0]=4 3573 B13R0.1170 CSCCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000749238 [0,1,0,0,0,0|3,0,0]=4 3574 B13R0.1170 CSCCCNC(=O)NC[C@@H](F)CO 512a_100000749238_100015665980 [0,1,0,0,0,0|3,0,0]=4 3575 B13R0.1170 CSCCCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000749238 [0,1,0,0,0,0|3,0,0]=4 3576 B13R0.1170 CSCCCNC(=O)NC[C@H](O)CO 2708a_100000749238_100020644852 [0,1,0,0,0,0|3,0,0]=4 3577 B13R0.1170 CSCCCNC(=O)NC[C@H](O)CO 273464a_100000749238_100020644852 [0,1,0,0,0,0|3,0,0]=4 3578 B13R0.1170 CSCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000749238 [0,1,0,0,0,0|3,0,0]=4 3579 B13R0.1171 C#CCCCCC(=O)C(C)CCCC 1458a_100000696528_200011215066 [0,1,0,0,0,0|2,0,1]=4 3580 B13R0.1171 C#CCCCCC(=O)C(C)CCCC 1458a_100000725509_100010269958 [0,1,0,0,0,0|2,0,1]=4 3581 B13R0.1171 C#CCCCCC(=O)C(O)CCCC 1458a_100000720857_100010269958 [0,1,0,0,0,0|2,0,1]=4 3582 B13R0.1171 C#CCCCNC(=O)C(C)CCCC 11a_100000718082_100000725509 [0,1,0,0,0,0|2,0,1]=4 3583 B13R0.1171 C#CCCCNC(=O)C(C)CCCC 1626a_100000718082_100000725509 [0,1,0,0,0,0|2,0,1]=4 3584 B13R0.1171 C#CCCCNC(=O)C(C)CCCC 240690a_100000718082_100000725509 [0,1,0,0,0,0|2,0,1]=4 3585 B13R0.1171 C#CCCCNC(=O)C(C)CCCC 527a_100000718082_100000725509 [0,1,0,0,0,0|2,0,1]=4 3586 B13R0.1171 C#CCCCNC(=O)C(O)CCCC 240690a_100000718082_100000720857 [0,1,0,0,0,0|2,0,1]=4 3587 B13R0.1171 C#CCCCNC(=O)C(O)CCCC 527a_100000718082_100000720857 [0,1,0,0,0,0|2,0,1]=4 3588 B13R0.1171 C=CCCCCC(=O)C(C)CCCC 1458a_100000725509_100011215482 [0,1,0,0,0,0|2,0,1]=4 3589 B13R0.1171 C=CCCCCC(=O)C(C)CCCC 1458a_100011215552_200011215066 [0,1,0,0,0,0|2,0,1]=4 3590 B13R0.1171 C=CCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215482 [0,1,0,0,0,0|2,0,1]=4 3591 B13R0.1171 C=CCCCNC(=O)C(C)CCCC 11a_100000700776_100000725509 [0,1,0,0,0,0|2,0,1]=4 3592 B13R0.1171 C=CCCCNC(=O)C(C)CCCC 1626a_100000700776_100000725509 [0,1,0,0,0,0|2,0,1]=4 3593 B13R0.1171 C=CCCCNC(=O)C(C)CCCC 240690a_100000700776_100000725509 [0,1,0,0,0,0|2,0,1]=4 3594 B13R0.1171 C=CCCCNC(=O)C(C)CCCC 527a_100000700776_100000725509 [0,1,0,0,0,0|2,0,1]=4 3595 B13R0.1171 C=CCCCNC(=O)C(O)CCCC 240690a_100000700776_100000720857 [0,1,0,0,0,0|2,0,1]=4 3596 B13R0.1171 C=CCCCNC(=O)C(O)CCCC 527a_100000700776_100000720857 [0,1,0,0,0,0|2,0,1]=4 3597 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCSC 11a_100000749238_200020648666 [0,1,0,0,0,0|1,0,2]=4 3598 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCSC 1626a_100000749238_200020648666 [0,1,0,0,0,0|1,0,2]=4 3599 B13R0.1171 CCC/C=C(\C)/C(=O)NCCCSC 240690a_100000749238_200020648666 [0,1,0,0,0,0|1,0,2]=4 3600 B13R0.1171 CCCCC(C)C(=O)CCCCC#N 1458a_100000725509_100000211819 [0,1,0,0,0,0|3,0,0]=4 3601 B13R0.1171 CCCCC(C)C(=O)CCCCCF 1458a_100000725509_100000729378 [0,1,0,0,0,0|3,0,0]=4 3602 B13R0.1171 CCCCC(C)C(=O)CCCCCO 1458a_100000725509_100000746330 [0,1,0,0,0,0|3,0,0]=4 3603 B13R0.1171 CCCCC(C)C(=O)CCCCCO 1458a_100102619762_200011215066 [0,1,0,0,0,0|3,0,0]=4 3604 B13R0.1171 CCCCC(C)C(=O)CCCCOC 1458a_100000725509_100000755781 [0,1,0,0,0,0|1,1,0]=3 3605 B13R0.1171 CCCCC(C)C(=O)CCCOCC 1458a_100000725509_100012232248 [0,1,0,0,0,0|3,0,0]=4 3606 B13R0.1171 CCCCC(C)C(=O)CCOCCC 1458a_100000725509_100011215938 [0,1,0,0,0,0|3,0,0]=4 3607 B13R0.1171 CCCCC(C)C(=O)COCCOC 1458a_100000211095_200011215066 [0,1,0,0,0,0|2,1,0]=4 3608 B13R0.1171 CCCCC(C)C(=O)NCCCCO 240690a_100000750430_100000725509 [0,1,0,0,0,0|3,0,0]=4 3609 B13R0.1171 CCCCC(C)C(=O)NCCCCO 527a_100000750430_100000725509 [0,1,0,0,0,0|3,0,0]=4 3610 B13R0.1171 CCCCC(C)C(=O)NCCCOC 1626a_100150723488_100000725509 [0,1,0,0,0,0|1,1,0]=3 3611 B13R0.1171 CCCCC(C)C(=O)NCCCOC 240690a_100150723488_100000725509 [0,1,0,0,0,0|1,1,0]=3 3612 B13R0.1171 CCCCC(C)C(=O)NCCCOC 527a_100150723488_100000725509 [0,1,0,0,0,0|1,1,0]=3 3613 B13R0.1171 CCCCC(C)C(=O)NCCCSC 11a_100000749238_100000725509 [0,1,0,0,0,0|1,0,0]=2 3614 B13R0.1171 CCCCC(C)C(=O)NCCCSC 1626a_100000749238_100000725509 [0,1,0,0,0,0|1,0,0]=2 3615 B13R0.1171 CCCCC(C)C(=O)NCCCSC 240690a_100000749238_100000725509 [0,1,0,0,0,0|1,0,0]=2 3616 B13R0.1171 CCCCC(C)C(=O)NCCCSC 527a_100000749238_100000725509 [0,1,0,0,0,0|1,0,0]=2 3617 B13R0.1171 CCCCC(C)C(=O)NCCOCC 11a_100011200944_100000725509 [0,1,0,0,0,0|3,0,0]=4 3618 B13R0.1171 CCCCC(C)C(=O)NCCOCC 1626a_102516460346_100000725509 [0,1,0,0,0,0|3,0,0]=4 3619 B13R0.1171 CCCCC(C)C(=O)NCCOCC 240690a_100011200944_100000725509 [0,1,0,0,0,0|3,0,0]=4 3620 B13R0.1171 CCCCC(C)C(=O)NCCOCC 527a_100011200944_100000725509 [0,1,0,0,0,0|3,0,0]=4 3621 B13R0.1171 CCCCC(C)C(=O)NCCSCC 11a_100000106463_100000725509 [0,1,0,0,0,0|3,0,0]=4 3622 B13R0.1171 CCCCC(C)C(=O)NCCSCC 1626a_100000106463_100000725509 [0,1,0,0,0,0|3,0,0]=4 3623 B13R0.1171 CCCCC(C)C(=O)NCCSCC 240690a_100000106463_100000725509 [0,1,0,0,0,0|3,0,0]=4 3624 B13R0.1171 CCCCC(C)C(=O)NCCSCC 527a_100000106463_100000725509 [0,1,0,0,0,0|3,0,0]=4 3625 B13R0.1171 CCCCC(C)C(=O)NNCCOC 22a_100000741390_100000725509 [0,1,0,0,0,0|2,1,0]=4 3626 B13R0.1171 CCCCC(O)C(=O)CCCCC#N 1458a_100000720857_100000211819 [0,1,0,0,0,0|3,0,0]=4 3627 B13R0.1171 CCCCC(O)C(=O)CCCCCF 1458a_100000720857_100000729378 [0,1,0,0,0,0|3,0,0]=4 3628 B13R0.1171 CCCCC(O)C(=O)CCCCCO 1458a_100000720857_100000746330 [0,1,0,0,0,0|3,0,0]=4 3629 B13R0.1171 CCCCC(O)C(=O)CCCCOC 1458a_100000720857_100000755781 [0,1,0,0,0,0|1,1,0]=3 3630 B13R0.1171 CCCCC(O)C(=O)CCCOCC 1458a_100000720857_100012232248 [0,1,0,0,0,0|3,0,0]=4 3631 B13R0.1171 CCCCC(O)C(=O)CCOCCC 1458a_100000720857_100011215938 [0,1,0,0,0,0|3,0,0]=4 3632 B13R0.1171 CCCCC(O)C(=O)NCCCCO 240690a_100000750430_100000720857 [0,1,0,0,0,0|3,0,0]=4 3633 B13R0.1171 CCCCC(O)C(=O)NCCCCO 527a_100000750430_100000720857 [0,1,0,0,0,0|3,0,0]=4 3634 B13R0.1171 CCCCC(O)C(=O)NCCCOC 240690a_100150723488_100000720857 [0,1,0,0,0,0|1,1,0]=3 3635 B13R0.1171 CCCCC(O)C(=O)NCCCOC 527a_100150723488_100000720857 [0,1,0,0,0,0|1,1,0]=3 3636 B13R0.1171 CCCCC(O)C(=O)NCCCSC 240690a_100000749238_100000720857 [0,1,0,0,0,0|1,0,0]=2 3637 B13R0.1171 CCCCC(O)C(=O)NCCCSC 527a_100000749238_100000720857 [0,1,0,0,0,0|1,0,0]=2 3638 B13R0.1171 CCCCC(O)C(=O)NCCOCC 240690a_100011200944_100000720857 [0,1,0,0,0,0|3,0,0]=4 3639 B13R0.1171 CCCCC(O)C(=O)NCCOCC 527a_100011200944_100000720857 [0,1,0,0,0,0|3,0,0]=4 3640 B13R0.1171 CCCCC(O)C(=O)NCCSCC 240690a_100000106463_100000720857 [0,1,0,0,0,0|3,0,0]=4 3641 B13R0.1171 CCCCC(O)C(=O)NCCSCC 527a_100000106463_100000720857 [0,1,0,0,0,0|3,0,0]=4 3642 B13R0.1171 CCCCC(O)C(=O)NNCCOC 22a_100000741390_100000720857 [0,1,0,0,0,0|2,1,0]=4 3643 B13R0.1171 CCCCC=CC(=O)C(C)CCCC 1458a_100016266645_200011215066 [0,1,0,0,0,0|2,0,1]=4 3644 B13R0.1171 CCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210757 [0,1,0,0,0,0|2,0,0]=3 3645 B13R0.1171 CCCCCCC(=O)C(C)CCCC 1458a_100102632555_200011215066 [0,1,0,0,0,0|2,0,0]=3 3646 B13R0.1171 CCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210757 [0,1,0,0,0,0|2,0,0]=3 3647 B13R0.1171 CCCCCCC(=O)C(O)CCSC 1458a_100000685904_100000210757 [0,1,0,0,0,0|3,0,0]=4 3648 B13R0.1171 CCCCCCC(=O)N(C)CCCC 11a_100000207549_100102632555 [0,1,0,0,0,0|3,0,0]=4 3649 B13R0.1171 CCCCCCC(=O)N(C)CCCC 1626a_100000207549_100102632555 [0,1,0,0,0,0|3,0,0]=4 3650 B13R0.1171 CCCCCCC(=O)N(C)CCCC 240690a_100000207549_100102632555 [0,1,0,0,0,0|3,0,0]=4 3651 B13R0.1171 CCCCCCC(=O)N(C)CCCC 527a_100000207549_100102632555 [0,1,0,0,0,0|3,0,0]=4 3652 B13R0.1171 CCCCCNC(=O)C(C)CCCC 11a_100000209983_100000725509 [0,1,0,0,0,0|2,0,0]=3 3653 B13R0.1171 CCCCCNC(=O)C(C)CCCC 1626a_100000209983_100000725509 [0,1,0,0,0,0|2,0,0]=3 3654 B13R0.1171 CCCCCNC(=O)C(C)CCCC 240690a_100000209983_100000725509 [0,1,0,0,0,0|2,0,0]=3 3655 B13R0.1171 CCCCCNC(=O)C(C)CCCC 527a_100000209983_100000725509 [0,1,0,0,0,0|2,0,0]=3 3656 B13R0.1171 CCCCCNC(=O)C(C)SCCC 62a_100000210303_100000735910 [0,1,0,0,0,0|3,0,0]=4 3657 B13R0.1171 CCCCCNC(=O)C(C)SCCC 62a_100000735910_100000210303 [0,1,0,0,0,0|3,0,0]=4 3658 B13R0.1171 CCCCCNC(=O)C(O)CCCC 240690a_100000209983_100000720857 [0,1,0,0,0,0|2,0,0]=3 3659 B13R0.1171 CCCCCNC(=O)C(O)CCCC 527a_100000209983_100000720857 [0,1,0,0,0,0|2,0,0]=3 3660 B13R0.1171 CCCCCNC(=O)C(O)CCSC 240690a_100000209983_100000685904 [0,1,0,0,0,0|3,0,0]=4 3661 B13R0.1171 CCCCCNC(=O)N(C)CCCC 2708a_100000209983_100000207549 [0,1,0,0,0,0|3,0,0]=4 3662 B13R0.1171 CCCCCNC(=O)N(C)CCCC 273464a_100000209983_100000207549 [0,1,0,0,0,0|3,0,0]=4 3663 B13R0.1171 CCCCN(C)C(=O)CNCCSC 2230a_100020590264_100000230175 [0,1,0,0,0,0|3,0,0]=4 3664 B13R0.1171 CCCCN(C)C(=O)COCCSC 34a_100000230434_100000230175 [0,1,0,0,0,0|3,0,0]=4 3665 B13R0.1171 CCCCN(C)C(=O)COCCSC 7a_100000230434_100000230175 [0,1,0,0,0,0|3,0,0]=4 3666 B13R0.1171 CCCCN(C)C(=O)CSCCSC 62a_100000212216_100000230175 [0,1,0,0,0,0|3,0,0]=4 3667 B13R0.1171 CCCCN(C)C(=O)CSCCSC 62a_100000230175_100000751147 [0,1,0,0,0,0|3,0,0]=4 3668 B13R0.1171 CCCCN(C)C(=O)NCCCOC 2708a_100150723488_100000207549 [0,1,0,0,0,0|2,1,0]=4 3669 B13R0.1171 CCCCN(C)C(=O)NCCCOC 273464a_100150723488_100000207549 [0,1,0,0,0,0|2,1,0]=4 3670 B13R0.1171 CCCCN(C)C(=O)NCCCSC 2708a_100000749238_100000207549 [0,1,0,0,0,0|2,0,0]=3 3671 B13R0.1171 CCCCN(C)C(=O)NCCCSC 273464a_100000749238_100000207549 [0,1,0,0,0,0|2,0,0]=3 3672 B13R0.1171 CCCCNNC(=O)C(C)CCCC 22a_100025702795_100000725509 [0,1,0,0,0,0|3,0,0]=4 3673 B13R0.1171 CCCCNNC(=O)C(O)CCCC 22a_100025702795_100000720857 [0,1,0,0,0,0|3,0,0]=4 3674 B13R0.1171 CCCCOCC(=O)C(C)CCCC 1458a_100000725509_100011995733 [0,1,0,0,0,0|3,0,0]=4 3675 B13R0.1171 CCCCOCC(=O)C(C)CCCC 1458a_100000757543_200011215066 [0,1,0,0,0,0|3,0,0]=4 3676 B13R0.1171 CCCCOCC(=O)C(O)CCCC 1458a_100000720857_100011995733 [0,1,0,0,0,0|3,0,0]=4 3677 B13R0.1171 CCCCSCC(=O)C(C)CCCC 1458a_100000191162_200011215066 [0,1,0,0,0,0|3,0,0]=4 3678 B13R0.1171 CCCNC(=O)C(=O)NCCCSC 1626a_100000749238_200011297150 [0,1,0,0,0,0|2,0,1]=4 3679 B13R0.1171 CCCNC(=O)C(=O)NCCCSC 240690a_100000749238_200011297150 [0,1,0,0,0,0|2,0,1]=4 3680 B13R0.1171 CCCNC(=O)C(=O)NCCCSC 527a_100000749238_200011297150 [0,1,0,0,0,0|2,0,1]=4 3681 B13R0.1171 CCCSC(C)C(=O)NCCCOC 62a_100000210303_100000735919 [0,1,0,0,0,0|2,1,0]=4 3682 B13R0.1171 CCCSC(C)C(=O)NCCCOC 62a_100000735919_100000210303 [0,1,0,0,0,0|2,1,0]=4 3683 B13R0.1171 COCCCCC(=O)C(O)CCSC 1458a_100000685904_100000755781 [0,1,0,0,0,0|2,1,0]=4 3684 B13R0.1171 COCCCNC(=O)C(O)CCSC 240690a_100150723488_100000685904 [0,1,0,0,0,0|2,1,0]=4 3685 B13R0.1171 COCCN(C)C(=O)NCCCSC 2708a_100000749238_100000743101 [0,1,0,0,0,0|3,0,0]=4 3686 B13R0.1171 COCCN(C)C(=O)NCCCSC 273464a_100000749238_100000743101 [0,1,0,0,0,0|3,0,0]=4 3687 B13R0.1171 CSCCCNC(=O)C(O)CCSC 240690a_100000749238_100000685904 [0,1,0,0,0,0|2,0,0]=3 3688 B13R0.1171 CSCCCNC(=O)N(C)CCCO 2708a_100000749238_100000213112 [0,1,0,0,0,0|3,0,0]=4 3689 B13R0.1171 CSCCCNC(=O)N(C)CCCO 273464a_100000749238_100000213112 [0,1,0,0,0,0|3,0,0]=4 3690 B13R0.1171 CSCCCNC(=O)N(C)CCSC 2708a_100000749238_100000686725 [0,1,0,0,0,0|3,0,0]=4 3691 B13R0.1171 CSCCCNC(=O)N(C)CCSC 273464a_100000749238_100000686725 [0,1,0,0,0,0|3,0,0]=4 3692 B13R1.6 CCCCCOC1CCCC(C1)C 34a_100000211399_100000718602 [0,0,0,1,0,0|2,0,1]=4 3693 B13R1.6 COCCCOC1CCCC(C1)C 34a_100000211399_100000740836 [0,0,0,1,0,0|1,1,1]=4 3694 B13R1.6 CSCCCNC1CCCC(C1)C 270004a_100000749238_100000183594 [0,0,0,1,0,0|2,0,1]=4 3695 B13R1.24 CCCCCC(=O)C1=CCCCC1 1458a_100000765259_100000210326 [0,0,0,1,0,0|2,0,1]=4 3696 B13R1.24 CCCCCC(=O)C1=COCCC1 1458a_100000749935_100000210326 [0,0,0,1,0,0|1,1,1]=4 3697 B13R1.24 CCCCCC(=O)C1C=CCCC1 1458a_100000212188_100000751183 [0,0,0,1,0,0|2,0,1]=4 3698 B13R1.24 CCCCCC(=O)C1CCCCC1 1458a_100000210647_100000210326 [0,0,0,1,0,0|2,0,0]=3 3699 B13R1.24 CCCCCC(=O)C1CCCCC1 1458a_100000212188_100000210327 [0,0,0,1,0,0|2,0,0]=3 3700 B13R1.24 CCCCCC(=O)C1CCCCO1 1458a_100000748299_100000210326 [0,0,0,1,0,0|3,0,0]=4 3701 B13R1.24 CCCCCC(=O)C1CCCOC1 1458a_100000212188_100000693364 [0,0,0,1,0,0|1,1,0]=3 3702 B13R1.24 CCCCCC(=O)C1CCCOC1 1458a_100000741522_100000210326 [0,0,0,1,0,0|1,1,0]=3 3703 B13R1.24 CCCCCC(=O)C1CCOCC1 1458a_100000195482_100000210326 [0,0,0,1,0,0|3,0,0]=4 3704 B13R1.24 CCCCCC(=O)C1CCOCC1 1458a_100000212188_100011324220 [0,0,0,1,0,0|3,0,0]=4 3705 B13R1.24 CCCCCC(=O)C1CCSCC1 1458a_100000755232_100000210326 [0,0,0,1,0,0|3,0,0]=4 3706 B13R1.24 CCCCCC(=O)C1COCCO1 1458a_100000045528_100000210326 [0,0,0,1,0,0|2,1,0]=4 3707 B13R1.24 CCCCCC(=O)N1CC=CCC1 11a_100000698166_100000212188 [0,0,0,1,0,0|2,0,1]=4 3708 B13R1.24 CCCCCC(=O)N1CC=CCC1 1626a_100000698166_100000212188 [0,0,0,1,0,0|2,0,1]=4 3709 B13R1.24 CCCCCC(=O)N1CC=CCC1 240690a_100000698166_100000212188 [0,0,0,1,0,0|2,0,1]=4 3710 B13R1.24 CCCCCC(=O)N1CC=CCC1 527a_100000698166_100000212188 [0,0,0,1,0,0|2,0,1]=4 3711 B13R1.24 CCCCCC(=O)N1CCCOC1 11a_100000131196_100000212188 [0,0,0,1,0,0|1,1,0]=3 3712 B13R1.24 CCCCCC(=O)N1CCCOC1 240690a_100000131196_100000212188 [0,0,0,1,0,0|1,1,0]=3 3713 B13R1.24 CCCCCC(=O)N1CCOCC1 11a_100015191051_100000212188 [0,0,0,1,0,0|3,0,0]=4 3714 B13R1.24 CCCCCC(=O)N1CCOCC1 1626a_100015191051_100000212188 [0,0,0,1,0,0|3,0,0]=4 3715 B13R1.24 CCCCCC(=O)N1CCOCC1 240690a_100015191051_100000212188 [0,0,0,1,0,0|3,0,0]=4 3716 B13R1.24 CCCCCC(=O)N1CCOCC1 527a_100015191051_100000212188 [0,0,0,1,0,0|3,0,0]=4 3717 B13R1.24 CCCCCC(=O)N1CCSCC1 11a_100000737611_100000212188 [0,0,0,1,0,0|3,0,0]=4 3718 B13R1.24 CCCCCC(=O)N1CCSCC1 240690a_100000737611_100000212188 [0,0,0,1,0,0|3,0,0]=4 3719 B13R1.24 CCCCCC(=O)N1CCSCC1 527a_100000737611_100000212188 [0,0,0,1,0,0|3,0,0]=4 3720 B13R1.24 CCCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210326 [0,0,0,1,0,0|2,0,1]=4 3721 B13R1.24 CCCCCN(C)C1CCCSC1 270004a_100000223495_100000057913 [0,0,0,1,0,0|3,0,0]=4 3722 B13R1.24 CCCCNC(=O)C1CCCCC1 11a_100000102301_100000210647 [0,0,0,1,0,0|3,0,0]=4 3723 B13R1.24 CCCCNC(=O)C1CCCCC1 1626a_100000102301_100000210647 [0,0,0,1,0,0|3,0,0]=4 3724 B13R1.24 CCCCNC(=O)C1CCCCC1 240690a_100000102301_100000210647 [0,0,0,1,0,0|3,0,0]=4 3725 B13R1.24 CCCCNC(=O)C1CCCCC1 527a_100000102301_100000210647 [0,0,0,1,0,0|3,0,0]=4 3726 B13R1.24 CCCCNC(=O)C1CCCOC1 11a_100000102301_100000741522 [0,0,0,1,0,0|2,1,0]=4 3727 B13R1.24 CCCCNC(=O)C1CCCOC1 1626a_100000102301_100000741522 [0,0,0,1,0,0|2,1,0]=4 3728 B13R1.24 CCCCNC(=O)C1CCCOC1 240690a_100000102301_100000741522 [0,0,0,1,0,0|2,1,0]=4 3729 B13R1.24 CCCCNC(=O)C1CCCOC1 527a_100000102301_100000741522 [0,0,0,1,0,0|2,1,0]=4 3730 B13R1.24 CCCCNC(=O)N1CCCOC1 2708a_100000102301_100000131196 [0,0,0,1,0,0|2,1,0]=4 3731 B13R1.24 CCCCNC(=O)N1CCCOC1 273464a_100000102301_100000131196 [0,0,0,1,0,0|2,1,0]=4 3732 B13R1.24 CCCNCC(=O)N1CCCCC1 2230a_100000751303_100000210303 [0,0,0,1,0,0|3,0,0]=4 3733 B13R1.24 CCCOCC(=O)C1CCCCC1 1458a_100000745993_100000210327 [0,0,0,1,0,0|3,0,0]=4 3734 B13R1.24 CCCOCC(=O)C1CCCCC1 34a_100000210258_100000241979 [0,0,0,1,0,0|3,0,0]=4 3735 B13R1.24 CCCOCC(=O)C1CCCOC1 1458a_100000745993_100000693364 [0,0,0,1,0,0|2,1,0]=4 3736 B13R1.24 CCCOCC(=O)N1CCCCC1 34a_100000210258_100000183409 [0,0,0,1,0,0|3,0,0]=4 3737 B13R1.24 CCCOCC(=O)N1CCCCC1 7a_100011315646_100000210303 [0,0,0,1,0,0|3,0,0]=4 3738 B13R1.24 CCCOCC(=O)N1CCCOC1 11a_100000131196_100000745993 [0,0,0,1,0,0|2,1,0]=4 3739 B13R1.24 CCCOCC(=O)N1CCCOC1 240690a_100000131196_100000745993 [0,0,0,1,0,0|2,1,0]=4 3740 B13R1.24 CCCSCC(=O)C1CCCCC1 1458a_100000217233_100000210327 [0,0,0,1,0,0|3,0,0]=4 3741 B13R1.24 CCCSCC(=O)C1CCCCC1 62a_100000210303_100000241979 [0,0,0,1,0,0|3,0,0]=4 3742 B13R1.24 CCCSCC(=O)C1CCCCC1 62a_100000241979_100000210303 [0,0,0,1,0,0|3,0,0]=4 3743 B13R1.24 CCCSCC(=O)C1CCCOC1 1458a_100000217233_100000693364 [0,0,0,1,0,0|2,1,0]=4 3744 B13R1.24 CCCSCC(=O)N1CCCCC1 62a_100000183409_100000210303 [0,0,0,1,0,0|3,0,0]=4 3745 B13R1.24 CCCSCC(=O)N1CCCCC1 62a_100000210303_100000183409 [0,0,0,1,0,0|3,0,0]=4 3746 B13R1.24 CCCSCC(=O)N1CCCOC1 11a_100000131196_100000217233 [0,0,0,1,0,0|2,1,0]=4 3747 B13R1.24 CCCSCC(=O)N1CCCOC1 240690a_100000131196_100000217233 [0,0,0,1,0,0|2,1,0]=4 3748 B13R1.24 CCNCCC(=O)N1CCCCC1 2230a_100015525214_100102558178 [0,0,0,1,0,0|3,0,0]=4 3749 B13R1.24 CCOCCC(=O)C1CCCCC1 1458a_100000210647_100011215890 [0,0,0,1,0,0|3,0,0]=4 3750 B13R1.24 CCOCCC(=O)C1CCCCC1 1458a_100000749530_100000210327 [0,0,0,1,0,0|3,0,0]=4 3751 B13R1.24 CCOCCC(=O)C1CCCOC1 1458a_100000741522_100011215890 [0,0,0,1,0,0|2,1,0]=4 3752 B13R1.24 CCOCCC(=O)C1CCCOC1 1458a_100000749530_100000693364 [0,0,0,1,0,0|2,1,0]=4 3753 B13R1.24 CCOCCC(=O)N1CCCCC1 34a_100121572206_100102558178 [0,0,0,1,0,0|3,0,0]=4 3754 B13R1.24 CCOCCC(=O)N1CCCOC1 11a_100000131196_100000749530 [0,0,0,1,0,0|2,1,0]=4 3755 B13R1.24 CCOCCC(=O)N1CCCOC1 240690a_100000131196_100000749530 [0,0,0,1,0,0|2,1,0]=4 3756 B13R1.24 CCSCCC(=O)C1CCCCC1 1458a_100000210647_100000757381 [0,0,0,1,0,0|3,0,0]=4 3757 B13R1.24 CCSCCC(=O)C1CCCCC1 1458a_100000230768_100000210327 [0,0,0,1,0,0|3,0,0]=4 3758 B13R1.24 CCSCCC(=O)C1CCCOC1 1458a_100000230768_100000693364 [0,0,0,1,0,0|2,1,0]=4 3759 B13R1.24 CCSCCC(=O)C1CCCOC1 1458a_100000741522_100000757381 [0,0,0,1,0,0|2,1,0]=4 3760 B13R1.24 CCSCCC(=O)N1CCCCC1 62a_100000210202_100102558178 [0,0,0,1,0,0|3,0,0]=4 3761 B13R1.24 CCSCCC(=O)N1CCCCC1 62a_100102558178_100000210202 [0,0,0,1,0,0|3,0,0]=4 3762 B13R1.24 CCSCCC(=O)N1CCCOC1 11a_100000131196_100000230768 [0,0,0,1,0,0|2,1,0]=4 3763 B13R1.24 CCSCCC(=O)N1CCCOC1 240690a_100000131196_100000230768 [0,0,0,1,0,0|2,1,0]=4 3764 B13R1.24 COCCCC(=O)C1CCCCC1 1458a_100000210647_100000740836 [0,0,0,1,0,0|3,0,0]=4 3765 B13R1.24 COCCCC(=O)C1CCCCC1 1458a_100000741012_100000210327 [0,0,0,1,0,0|3,0,0]=4 3766 B13R1.24 COCCCC(=O)C1CCCOC1 1458a_100000741012_100000693364 [0,0,0,1,0,0|2,1,0]=4 3767 B13R1.24 COCCCC(=O)C1CCCOC1 1458a_100000741522_100000740836 [0,0,0,1,0,0|2,1,0]=4 3768 B13R1.24 COCCCC(=O)N1CCCOC1 11a_100000131196_100000741012 [0,0,0,1,0,0|2,1,0]=4 3769 B13R1.24 COCCCC(=O)N1CCCOC1 240690a_100000131196_100000741012 [0,0,0,1,0,0|2,1,0]=4 3770 B13R1.24 CSCCCC(=O)C1CCCCC1 1458a_100000173376_100000210327 [0,0,0,1,0,0|3,0,0]=4 3771 B13R1.24 CSCCCC(=O)C1CCCOC1 1458a_100000173376_100000693364 [0,0,0,1,0,0|2,1,0]=4 3772 B13R1.24 CSCCCC(=O)N1CCCOC1 11a_100000131196_100000173376 [0,0,0,1,0,0|2,1,0]=4 3773 B13R1.24 CSCCCC(=O)N1CCCOC1 240690a_100000131196_100000173376 [0,0,0,1,0,0|2,1,0]=4 3774 B13R1.24 O=C(CCCCF)C1CCCCC1 1458a_100000210647_100000729493 [0,0,0,1,0,0|3,0,0]=4 3775 B13R1.24 O=C(CCCCF)C1CCCOC1 1458a_100000741522_100000729493 [0,0,0,1,0,0|2,1,0]=4 3776 B13R1.24 O=C(CCCCO)C1CCCCC1 1458a_100000210647_100000210776 [0,0,0,1,0,0|3,0,0]=4 3777 B13R1.24 O=C(CCCCO)C1CCCCC1 1458a_100000695505_100000210327 [0,0,0,1,0,0|3,0,0]=4 3778 B13R1.24 O=C(CCCCO)C1CCCOC1 1458a_100000695505_100000693364 [0,0,0,1,0,0|2,1,0]=4 3779 B13R1.24 O=C(CCCCO)C1CCCOC1 1458a_100000741522_100000210776 [0,0,0,1,0,0|2,1,0]=4 3780 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,0,0,1,0,0|3,0,0]=4 3781 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,0,0,1,0,0|3,0,0]=4 3782 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,0,0,1,0,0|3,0,0]=4 3783 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,0,0,1,0,0|3,0,0]=4 3784 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [0,0,0,1,0,0|2,0,0]=3 3785 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [0,0,0,1,0,0|2,0,0]=3 3786 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [0,0,0,1,0,0|2,1,0]=4 3787 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [0,0,0,1,0,0|2,1,0]=4 3788 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100000698827_100000751147 [0,0,0,1,0,0|3,0,0]=4 3789 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100020590264_100000735217 [0,0,0,1,0,0|3,0,0]=4 3790 B13R1.34 CSCCNC1CCCCNC1=O 34a_100000698827_100000212216 [0,0,0,1,0,0|3,0,0]=4 3791 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [0,0,0,1,0,0|2,0,0]=3 3792 B13R1.34 CSCCOC1CCCCNC1=O 7a_100000230434_100000735217 [0,0,0,1,0,0|3,0,0]=4 3793 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [0,0,0,1,0,0|2,0,0]=3 3794 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [0,0,0,1,0,0|2,0,0]=3 3795 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000212216_100000735217 [0,0,0,1,0,0|3,0,0]=4 3796 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000735217_100000751147 [0,0,0,1,0,0|3,0,0]=4 3797 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [0,0,0,1,0,0|2,0,0]=3 3798 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [0,0,0,1,0,0|2,0,0]=3 3799 B13R1.48 C#CCCCCC(=O)C1CCCC1 1458a_100000210718_100010269958 [0,0,0,1,0,0|2,0,1]=4 3800 B13R1.48 C#CCCCCC(=O)C1CCCC1 1458a_100000696528_100000179811 [0,0,0,1,0,0|2,0,1]=4 3801 B13R1.48 C#CCCCNC(=O)C1CCCC1 11a_100000718082_100000210718 [0,0,0,1,0,0|2,0,1]=4 3802 B13R1.48 C#CCCCNC(=O)C1CCCC1 1626a_100000718082_100000210718 [0,0,0,1,0,0|2,0,1]=4 3803 B13R1.48 C#CCCCNC(=O)C1CCCC1 240690a_100000718082_100000210718 [0,0,0,1,0,0|2,0,1]=4 3804 B13R1.48 C#CCCCNC(=O)C1CCCC1 527a_100000718082_100000210718 [0,0,0,1,0,0|2,0,1]=4 3805 B13R1.48 C=CCCCCC(=O)C1CCCC1 1458a_100000210718_100011215482 [0,0,0,1,0,0|2,0,1]=4 3806 B13R1.48 C=CCCCCC(=O)C1CCCC1 1458a_100011215552_100000179811 [0,0,0,1,0,0|2,0,1]=4 3807 B13R1.48 C=CCCCNC(=O)C1CCCC1 11a_100000700776_100000210718 [0,0,0,1,0,0|2,0,1]=4 3808 B13R1.48 C=CCCCNC(=O)C1CCCC1 1626a_100000700776_100000210718 [0,0,0,1,0,0|2,0,1]=4 3809 B13R1.48 C=CCCCNC(=O)C1CCCC1 240690a_100000700776_100000210718 [0,0,0,1,0,0|2,0,1]=4 3810 B13R1.48 C=CCCCNC(=O)C1CCCC1 527a_100000700776_100000210718 [0,0,0,1,0,0|2,0,1]=4 3811 B13R1.48 CCCCC=CC(=O)C1CCCC1 1458a_100016266645_100000179811 [0,0,0,1,0,0|2,0,1]=4 3812 B13R1.48 CCCCCCC(=O)C1CCCC1 1458a_100000210718_100000210757 [0,0,0,1,0,0|2,0,0]=3 3813 B13R1.48 CCCCCCC(=O)C1CCCC1 1458a_100102632555_100000179811 [0,0,0,1,0,0|2,0,0]=3 3814 B13R1.48 CCCCCCC(=O)C1CCCS1 1458a_100012002731_100000210757 [0,0,0,1,0,0|3,0,0]=4 3815 B13R1.48 CCCCCCC(=O)C1CCOC1 1458a_100011219752_100000210757 [0,0,0,1,0,0|3,0,0]=4 3816 B13R1.48 CCCCCCC(=O)C1CCOC1 1458a_100102632555_100000690089 [0,0,0,1,0,0|3,0,0]=4 3817 B13R1.48 CCCCCCC(=O)N1CCCC1 240690a_100000188435_100102632555 [0,0,0,1,0,0|3,0,0]=4 3818 B13R1.48 CCCCCCC(=O)N1CCCC1 527a_100000188435_100102632555 [0,0,0,1,0,0|3,0,0]=4 3819 B13R1.48 CCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210757 [0,0,0,1,0,0|3,0,0]=4 3820 B13R1.48 CCCCCNC(=O)C1CCCC1 11a_100000209983_100000210718 [0,0,0,1,0,0|2,0,0]=3 3821 B13R1.48 CCCCCNC(=O)C1CCCC1 1626a_100000209983_100000210718 [0,0,0,1,0,0|2,0,0]=3 3822 B13R1.48 CCCCCNC(=O)C1CCCC1 240690a_100000209983_100000210718 [0,0,0,1,0,0|2,0,0]=3 3823 B13R1.48 CCCCCNC(=O)C1CCCC1 527a_100000209983_100000210718 [0,0,0,1,0,0|2,0,0]=3 3824 B13R1.48 CCCCCNC(=O)C1CCCS1 11a_100000209983_100012002731 [0,0,0,1,0,0|3,0,0]=4 3825 B13R1.48 CCCCCNC(=O)C1CCCS1 1626a_100000209983_100012002731 [0,0,0,1,0,0|3,0,0]=4 3826 B13R1.48 CCCCCNC(=O)C1CCCS1 240690a_100000209983_100012002731 [0,0,0,1,0,0|3,0,0]=4 3827 B13R1.48 CCCCCNC(=O)C1CCCS1 527a_100000209983_100012002731 [0,0,0,1,0,0|3,0,0]=4 3828 B13R1.48 CCCCCNC(=O)C1CCOC1 11a_100000209983_100011219752 [0,0,0,1,0,0|3,0,0]=4 3829 B13R1.48 CCCCCNC(=O)C1CCOC1 1626a_100000209983_100011219752 [0,0,0,1,0,0|3,0,0]=4 3830 B13R1.48 CCCCCNC(=O)C1CCOC1 240690a_100000209983_100011219752 [0,0,0,1,0,0|3,0,0]=4 3831 B13R1.48 CCCCCNC(=O)C1CCOC1 527a_100000209983_100011219752 [0,0,0,1,0,0|3,0,0]=4 3832 B13R1.48 CCCCCNC(=O)N1CCCC1 2708a_100000209983_100000188435 [0,0,0,1,0,0|3,0,0]=4 3833 B13R1.48 CCCCCNC(=O)N1CCCC1 273464a_100000209983_100000188435 [0,0,0,1,0,0|3,0,0]=4 3834 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 11a_100000209983_100000686382 [0,0,0,1,0,0|3,0,0]=4 3835 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 1626a_100000209983_100000686382 [0,0,0,1,0,0|3,0,0]=4 3836 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 240690a_100000209983_100000686382 [0,0,0,1,0,0|3,0,0]=4 3837 B13R1.48 CCCCCNC(=O)[C@@H]1CCCO1 527a_100000209983_100000686382 [0,0,0,1,0,0|3,0,0]=4 3838 B13R1.48 CCCCCOC(C)C1CCCC1 34a_100011216366_100000718602 [0,0,0,1,0,0|2,0,1]=4 3839 B13R1.48 CCCCCOC(C)C1CCCC1 7a_100011216366_100000210326 [0,0,0,1,0,0|2,0,1]=4 3840 B13R1.48 CCCCNNC(=O)C1CCCC1 22a_100025702795_100000210718 [0,0,0,1,0,0|3,0,0]=4 3841 B13R1.48 CCCCOCC(=O)C1CCCC1 1458a_100000210718_100011995733 [0,0,0,1,0,0|3,0,0]=4 3842 B13R1.48 CCCCOCC(=O)C1CCCC1 1458a_100000757543_100000179811 [0,0,0,1,0,0|3,0,0]=4 3843 B13R1.48 CCCCSCC(=O)C1CCCC1 1458a_100000191162_100000179811 [0,0,0,1,0,0|3,0,0]=4 3844 B13R1.48 CCCOCCC(=O)C1CCCC1 1458a_100000210718_100011215938 [0,0,0,1,0,0|3,0,0]=4 3845 B13R1.48 CCOCCCC(=O)C1CCCC1 1458a_100000210718_100012232248 [0,0,0,1,0,0|3,0,0]=4 3846 B13R1.48 CCOCCNC(=O)C1CCCC1 11a_100011200944_100000210718 [0,0,0,1,0,0|3,0,0]=4 3847 B13R1.48 CCOCCNC(=O)C1CCCC1 1626a_102516460346_100000210718 [0,0,0,1,0,0|3,0,0]=4 3848 B13R1.48 CCOCCNC(=O)C1CCCC1 240690a_100011200944_100000210718 [0,0,0,1,0,0|3,0,0]=4 3849 B13R1.48 CCOCCNC(=O)C1CCCC1 527a_100011200944_100000210718 [0,0,0,1,0,0|3,0,0]=4 3850 B13R1.48 CCSCCNC(=O)C1CCCC1 11a_100000106463_100000210718 [0,0,0,1,0,0|3,0,0]=4 3851 B13R1.48 CCSCCNC(=O)C1CCCC1 1626a_100000106463_100000210718 [0,0,0,1,0,0|3,0,0]=4 3852 B13R1.48 CCSCCNC(=O)C1CCCC1 240690a_100000106463_100000210718 [0,0,0,1,0,0|3,0,0]=4 3853 B13R1.48 CCSCCNC(=O)C1CCCC1 527a_100000106463_100000210718 [0,0,0,1,0,0|3,0,0]=4 3854 B13R1.48 COCCCCC(=O)C1CCCC1 1458a_100000210718_100000755781 [0,0,0,1,0,0|1,1,0]=3 3855 B13R1.48 COCCCCC(=O)C1CCCS1 1458a_100012002731_100000755781 [0,0,0,1,0,0|2,1,0]=4 3856 B13R1.48 COCCCCC(=O)C1CCOC1 1458a_100011219752_100000755781 [0,0,0,1,0,0|2,1,0]=4 3857 B13R1.48 COCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000755781 [0,0,0,1,0,0|2,1,0]=4 3858 B13R1.48 COCCCNC(=O)C1CCCC1 1626a_100150723488_100000210718 [0,0,0,1,0,0|1,1,0]=3 3859 B13R1.48 COCCCNC(=O)C1CCCC1 240690a_100150723488_100000210718 [0,0,0,1,0,0|1,1,0]=3 3860 B13R1.48 COCCCNC(=O)C1CCCC1 527a_100150723488_100000210718 [0,0,0,1,0,0|1,1,0]=3 3861 B13R1.48 COCCCNC(=O)C1CCCS1 1626a_100150723488_100012002731 [0,0,0,1,0,0|2,1,0]=4 3862 B13R1.48 COCCCNC(=O)C1CCCS1 240690a_100150723488_100012002731 [0,0,0,1,0,0|2,1,0]=4 3863 B13R1.48 COCCCNC(=O)C1CCCS1 527a_100150723488_100012002731 [0,0,0,1,0,0|2,1,0]=4 3864 B13R1.48 COCCCNC(=O)C1CCOC1 1626a_100150723488_100011219752 [0,0,0,1,0,0|2,1,0]=4 3865 B13R1.48 COCCCNC(=O)C1CCOC1 240690a_100150723488_100011219752 [0,0,0,1,0,0|2,1,0]=4 3866 B13R1.48 COCCCNC(=O)C1CCOC1 527a_100150723488_100011219752 [0,0,0,1,0,0|2,1,0]=4 3867 B13R1.48 COCCCNC(=O)N1CCCC1 2708a_100150723488_100000188435 [0,0,0,1,0,0|2,1,0]=4 3868 B13R1.48 COCCCNC(=O)N1CCCC1 273464a_100150723488_100000188435 [0,0,0,1,0,0|2,1,0]=4 3869 B13R1.48 COCCCNC(=O)[C@@H]1CCCO1 1626a_100150723488_100000686382 [0,0,0,1,0,0|2,1,0]=4 3870 B13R1.48 COCCCNC(=O)[C@@H]1CCCO1 240690a_100150723488_100000686382 [0,0,0,1,0,0|2,1,0]=4 3871 B13R1.48 COCCCNC(=O)[C@@H]1CCCO1 527a_100150723488_100000686382 [0,0,0,1,0,0|2,1,0]=4 3872 B13R1.48 COCCCOC(C)C1CCCC1 34a_100011216366_100000740836 [0,0,0,1,0,0|1,1,1]=4 3873 B13R1.48 COCCCOC(C)C1CCCC1 7a_100011216366_100000740836 [0,0,0,1,0,0|1,1,1]=4 3874 B13R1.48 COCCNNC(=O)C1CCCC1 22a_100000741390_100000210718 [0,0,0,1,0,0|2,1,0]=4 3875 B13R1.48 COCCOCC(=O)C1CCCC1 1458a_100000211095_100000179811 [0,0,0,1,0,0|2,1,0]=4 3876 B13R1.48 CSCCCNC(=O)C1=CCCC1 11a_100000749238_100000038896 [0,0,0,1,0,0|1,0,2]=4 3877 B13R1.48 CSCCCNC(=O)C1=CCCC1 1626a_100000749238_100000038896 [0,0,0,1,0,0|1,0,2]=4 3878 B13R1.48 CSCCCNC(=O)C1=CCCC1 240690a_100000749238_100000038896 [0,0,0,1,0,0|1,0,2]=4 3879 B13R1.48 CSCCCNC(=O)C1CC=CC1 11a_100000749238_100000759439 [0,0,0,1,0,0|1,0,2]=4 3880 B13R1.48 CSCCCNC(=O)C1CC=CC1 1626a_100000749238_100000759439 [0,0,0,1,0,0|1,0,2]=4 3881 B13R1.48 CSCCCNC(=O)C1CC=CC1 240690a_100000749238_100000759439 [0,0,0,1,0,0|1,0,2]=4 3882 B13R1.48 CSCCCNC(=O)C1CC=CC1 527a_100000749238_100000759439 [0,0,0,1,0,0|1,0,2]=4 3883 B13R1.48 CSCCCNC(=O)C1CCCC1 11a_100000749238_100000210718 [0,0,0,1,0,0|1,0,0]=2 3884 B13R1.48 CSCCCNC(=O)C1CCCC1 1626a_100000749238_100000210718 [0,0,0,1,0,0|1,0,0]=2 3885 B13R1.48 CSCCCNC(=O)C1CCCC1 240690a_100000749238_100000210718 [0,0,0,1,0,0|1,0,0]=2 3886 B13R1.48 CSCCCNC(=O)C1CCCC1 527a_100000749238_100000210718 [0,0,0,1,0,0|1,0,0]=2 3887 B13R1.48 CSCCCNC(=O)C1CCCS1 11a_100000749238_100012002731 [0,0,0,1,0,0|2,0,0]=3 3888 B13R1.48 CSCCCNC(=O)C1CCCS1 1626a_100000749238_100012002731 [0,0,0,1,0,0|2,0,0]=3 3889 B13R1.48 CSCCCNC(=O)C1CCCS1 240690a_100000749238_100012002731 [0,0,0,1,0,0|2,0,0]=3 3890 B13R1.48 CSCCCNC(=O)C1CCCS1 527a_100000749238_100012002731 [0,0,0,1,0,0|2,0,0]=3 3891 B13R1.48 CSCCCNC(=O)C1CCOC1 11a_100000749238_100011219752 [0,0,0,1,0,0|2,0,0]=3 3892 B13R1.48 CSCCCNC(=O)C1CCOC1 1626a_100000749238_100011219752 [0,0,0,1,0,0|2,0,0]=3 3893 B13R1.48 CSCCCNC(=O)C1CCOC1 240690a_100000749238_100011219752 [0,0,0,1,0,0|2,0,0]=3 3894 B13R1.48 CSCCCNC(=O)C1CCOC1 527a_100000749238_100011219752 [0,0,0,1,0,0|2,0,0]=3 3895 B13R1.48 CSCCCNC(=O)N1CCCC1 2708a_100000749238_100000188435 [0,0,0,1,0,0|2,0,0]=3 3896 B13R1.48 CSCCCNC(=O)N1CCCC1 273464a_100000749238_100000188435 [0,0,0,1,0,0|2,0,0]=3 3897 B13R1.48 CSCCCNC(=O)N1CCSC1 2708a_100000749238_100011215254 [0,0,0,1,0,0|3,0,0]=4 3898 B13R1.48 CSCCCNC(=O)N1CCSC1 273464a_100000749238_100011215254 [0,0,0,1,0,0|3,0,0]=4 3899 B13R1.48 CSCCCNC(=O)[C@@H]1CCCO1 11a_100000749238_100000686382 [0,0,0,1,0,0|2,0,0]=3 3900 B13R1.48 CSCCCNC(=O)[C@@H]1CCCO1 1626a_100000749238_100000686382 [0,0,0,1,0,0|2,0,0]=3 3901 B13R1.48 CSCCCNC(=O)[C@@H]1CCCO1 240690a_100000749238_100000686382 [0,0,0,1,0,0|2,0,0]=3 3902 B13R1.48 CSCCCNC(=O)[C@@H]1CCCO1 527a_100000749238_100000686382 [0,0,0,1,0,0|2,0,0]=3 3903 B13R1.48 CSCCCNC(C)C1CCCC1 269862a_100000749238_100000749594 [0,0,0,1,0,0|2,0,1]=4 3904 B13R1.48 CSCCCNC(C)C1CCCC1 270004a_100000749238_100000749594 [0,0,0,1,0,0|2,0,1]=4 3905 B13R1.48 CSCCNCC(=O)N1CCCC1 2230a_100000751844_100000751147 [0,0,0,1,0,0|3,0,0]=4 3906 B13R1.48 CSCCNCC(=O)N1CCCC1 2230a_100020590264_100000183516 [0,0,0,1,0,0|3,0,0]=4 3907 B13R1.48 CSCCOCC(=O)N1CCCC1 34a_100000230434_100000183516 [0,0,0,1,0,0|3,0,0]=4 3908 B13R1.48 CSCCOCC(=O)N1CCCC1 7a_100000230434_100000183516 [0,0,0,1,0,0|3,0,0]=4 3909 B13R1.48 CSCCOCC(=O)N1CCCC1 7a_200000752455_100000212216 [0,0,0,1,0,0|3,0,0]=4 3910 B13R1.48 CSCCSCC(=O)N1CCCC1 62a_100000183516_100000751147 [0,0,0,1,0,0|3,0,0]=4 3911 B13R1.48 CSCCSCC(=O)N1CCCC1 62a_100000212216_100000183516 [0,0,0,1,0,0|3,0,0]=4 3912 B13R1.48 CSCSCCC(=O)N1CCCC1 62a_100011194422_100011218213 [0,0,0,1,0,0|3,0,0]=4 3913 B13R1.48 CSCSCCC(=O)N1CCCC1 62a_100011218213_100011194422 [0,0,0,1,0,0|3,0,0]=4 3914 B13R1.48 N#CCCCCC(=O)C1CCCC1 1458a_100000210718_100000211819 [0,0,0,1,0,0|3,0,0]=4 3915 B13R1.48 O=C(CCCCCF)C1CCCC1 1458a_100000210718_100000729378 [0,0,0,1,0,0|3,0,0]=4 3916 B13R1.48 O=C(CCCCCO)C1CCCC1 1458a_100000210718_100000746330 [0,0,0,1,0,0|3,0,0]=4 3917 B13R1.48 O=C(CCCCCO)C1CCCC1 1458a_100102619762_100000179811 [0,0,0,1,0,0|3,0,0]=4 3918 B13R1.48 O=C(NCCCCO)C1CCCC1 240690a_100000750430_100000210718 [0,0,0,1,0,0|3,0,0]=4 3919 B13R1.48 O=C(NCCCCO)C1CCCC1 527a_100000750430_100000210718 [0,0,0,1,0,0|3,0,0]=4 3920 B13R1.156 CCCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210326 [0,0,0,1,0,0|2,0,1]=4 3921 B13R1.156 CCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210326 [0,0,0,1,0,0|2,0,1]=4 3922 B13R1.156 CCCCCC(=O)CC1CC=CC1 1458a_200000137526_100000210326 [0,0,0,1,0,0|2,0,1]=4 3923 B13R1.156 CCCCCC(=O)CC1CCCC1 1458a_100000210891_100000210326 [0,0,0,1,0,0|2,0,0]=3 3924 B13R1.156 CCCCCC(=O)CC1CCCC1 1458a_100000212188_100000740388 [0,0,0,1,0,0|2,0,0]=3 3925 B13R1.156 CCCCCC(=O)CC1CCCO1 1458a_100000212188_100000203698 [0,0,0,1,0,0|3,0,0]=4 3926 B13R1.156 CCCCCC(=O)CC1CCOC1 1458a_100000212188_100000702531 [0,0,0,1,0,0|1,1,0]=3 3927 B13R1.156 CCCCCC(=O)CC1CCOC1 1458a_100011218419_100000210326 [0,0,0,1,0,0|1,1,0]=3 3928 B13R1.156 CCCCCC(=O)CN1CCCC1 1458a_100000740243_100000210326 [0,0,0,1,0,0|3,0,0]=4 3929 B13R1.156 CCCCCC(=O)CN1CCCC1 2230a_100000188435_200012276598 [0,0,0,1,0,0|3,0,0]=4 3930 B13R1.156 CCCCCC(=O)CN1CCCC1 269982a_100000188435_200012276598 [0,0,0,1,0,0|3,0,0]=4 3931 B13R1.156 CCCCCC(=O)CN1CCSC1 2230a_100011215254_200012276598 [0,0,0,1,0,0|2,0,0]=3 3932 B13R1.156 CCCCCC(=O)CN1CCSC1 269982a_100011215254_200012276598 [0,0,0,1,0,0|2,0,0]=3 3933 B13R1.156 CCCCCC(=O)NC1CC=CC1 11a_100015188752_100000212188 [0,0,0,1,0,0|2,0,1]=4 3934 B13R1.156 CCCCCC(=O)NC1CC=CC1 1626a_100015188752_100000212188 [0,0,0,1,0,0|2,0,1]=4 3935 B13R1.156 CCCCCC(=O)NC1CC=CC1 240690a_100015188752_100000212188 [0,0,0,1,0,0|2,0,1]=4 3936 B13R1.156 CCCCCC(=O)NC1CC=CC1 527a_100015188752_100000212188 [0,0,0,1,0,0|2,0,1]=4 3937 B13R1.156 CCCCCC(=O)NC1CCCC1 11a_100000211070_100000212188 [0,0,0,1,0,0|2,0,0]=3 3938 B13R1.156 CCCCCC(=O)NC1CCCC1 1626a_100000211070_100000212188 [0,0,0,1,0,0|2,0,0]=3 3939 B13R1.156 CCCCCC(=O)NC1CCCC1 240690a_100000211070_100000212188 [0,0,0,1,0,0|2,0,0]=3 3940 B13R1.156 CCCCCC(=O)NC1CCCC1 527a_100000211070_100000212188 [0,0,0,1,0,0|2,0,0]=3 3941 B13R1.156 CCCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000212188 [0,0,0,1,0,0|1,1,0]=3 3942 B13R1.156 CCCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000212188 [0,0,0,1,0,0|1,1,0]=3 3943 B13R1.156 CCCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000212188 [0,0,0,1,0,0|1,1,0]=3 3944 B13R1.156 CCCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000212188 [0,0,0,1,0,0|1,1,0]=3 3945 B13R1.156 CCCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000212188 [0,0,0,1,0,0|1,1,0]=3 3946 B13R1.156 CCCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000212188 [0,0,0,1,0,0|1,1,0]=3 3947 B13R1.156 CCCCCC(C)NC1CCSC1 270004a_100000211957_100000212027 [0,0,0,1,0,0|2,0,1]=4 3948 B13R1.156 CCCCCC(C)OC1CCCC1 34a_100000210269_200011218191 [0,0,0,1,0,0|2,0,1]=4 3949 B13R1.156 CCCCCC(C)OC1CCCC1 34a_100011215632_100000179811 [0,0,0,1,0,0|2,0,1]=4 3950 B13R1.156 CCCCCC(C)OC1CCCC1 7a_100000210269_200011218191 [0,0,0,1,0,0|2,0,1]=4 3951 B13R1.156 CCCCCC(C)OC1CCCC1 7a_100011215632_100000179811 [0,0,0,1,0,0|2,0,1]=4 3952 B13R1.156 CCCCCC(C)OC1CCOC1 34a_100011215632_100000690089 [0,0,0,1,0,0|1,1,1]=4 3953 B13R1.156 CCCCCC(C)OC1CCOC1 7a_100011215632_100000731011 [0,0,0,1,0,0|1,1,1]=4 3954 B13R1.156 CCCCCC(C)OC1CCSC1 7a_100011232664_200011218191 [0,0,0,1,0,0|1,0,1]=3 3955 B13R1.156 CCCCCC(C)O[C@H]1CCOC1 34a_100000717292_200011218191 [0,0,0,1,0,0|1,1,1]=4 3956 B13R1.156 CCCCNC(=O)CC1CCCC1 11a_100000102301_100000210891 [0,0,0,1,0,0|3,0,0]=4 3957 B13R1.156 CCCCNC(=O)CC1CCCC1 1626a_100000102301_100000210891 [0,0,0,1,0,0|3,0,0]=4 3958 B13R1.156 CCCCNC(=O)CC1CCCC1 240690a_100000102301_100000210891 [0,0,0,1,0,0|3,0,0]=4 3959 B13R1.156 CCCCNC(=O)CC1CCCC1 527a_100000102301_100000210891 [0,0,0,1,0,0|3,0,0]=4 3960 B13R1.156 CCCCNC(=O)CC1CCOC1 11a_100000102301_100011218419 [0,0,0,1,0,0|2,1,0]=4 3961 B13R1.156 CCCCNC(=O)CC1CCOC1 1626a_100000102301_100011218419 [0,0,0,1,0,0|2,1,0]=4 3962 B13R1.156 CCCCNC(=O)CC1CCOC1 240690a_100000102301_100011218419 [0,0,0,1,0,0|2,1,0]=4 3963 B13R1.156 CCCCNC(=O)CC1CCOC1 527a_100000102301_100011218419 [0,0,0,1,0,0|2,1,0]=4 3964 B13R1.156 CCCCNC(=O)CN1CCSC1 2230a_100011215254_100000182744 [0,0,0,1,0,0|3,0,0]=4 3965 B13R1.156 CCCCNC(=O)CN1CCSC1 269982a_100011215254_100000182744 [0,0,0,1,0,0|3,0,0]=4 3966 B13R1.156 CCCCNC(=O)NC1CCCC1 2708a_100000102301_100000211070 [0,0,0,1,0,0|3,0,0]=4 3967 B13R1.156 CCCCNC(=O)NC1CCCC1 2708a_100000211070_100000102301 [0,0,0,1,0,0|3,0,0]=4 3968 B13R1.156 CCCCNC(=O)NC1CCCC1 273464a_100000102301_100000211070 [0,0,0,1,0,0|3,0,0]=4 3969 B13R1.156 CCCCNC(=O)NC1CCCC1 273464a_100000211070_100000102301 [0,0,0,1,0,0|3,0,0]=4 3970 B13R1.156 CCCCNC(=O)NC1CCCC1 512a_100000102301_100000211070 [0,0,0,1,0,0|3,0,0]=4 3971 B13R1.156 CCCCNC(=O)NC1CCCC1 512a_100000211070_100000102301 [0,0,0,1,0,0|3,0,0]=4 3972 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 2708a_100000102301_200015188469 [0,0,0,1,0,0|2,1,0]=4 3973 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100000102301 [0,0,0,1,0,0|2,1,0]=4 3974 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 273464a_100000102301_200015188469 [0,0,0,1,0,0|2,1,0]=4 3975 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100000102301 [0,0,0,1,0,0|2,1,0]=4 3976 B13R1.156 CCCCNC(=O)N[C@@H]1CCOC1 512a_100000102301_200015188469 [0,0,0,1,0,0|2,1,0]=4 3977 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 2708a_100000102301_100015188467 [0,0,0,1,0,0|2,1,0]=4 3978 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100000102301 [0,0,0,1,0,0|2,1,0]=4 3979 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 273464a_100000102301_100015188467 [0,0,0,1,0,0|2,1,0]=4 3980 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100000102301 [0,0,0,1,0,0|2,1,0]=4 3981 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 512a_100000102301_100015188467 [0,0,0,1,0,0|2,1,0]=4 3982 B13R1.156 CCCCNC(=O)N[C@H]1CCOC1 512a_100015188467_100000102301 [0,0,0,1,0,0|2,1,0]=4 3983 B13R1.156 CCCCOC(=O)CN1CCSC1 2230a_100011215254_100000211628 [0,0,0,1,0,0|3,0,0]=4 3984 B13R1.156 CCCCOC(=O)CN1CCSC1 269982a_100011215254_100000211628 [0,0,0,1,0,0|3,0,0]=4 3985 B13R1.156 CCCNCC(=O)NC1CCCC1 2230a_100000747513_100000210303 [0,0,0,1,0,0|3,0,0]=4 3986 B13R1.156 CCCOCC(=O)CC1CCCC1 1458a_100000745993_100000740388 [0,0,0,1,0,0|3,0,0]=4 3987 B13R1.156 CCCOCC(=O)CC1CCOC1 1458a_100000745993_100000702531 [0,0,0,1,0,0|2,1,0]=4 3988 B13R1.156 CCCOCC(=O)NC1CCCC1 11a_100000211070_100000745993 [0,0,0,1,0,0|3,0,0]=4 3989 B13R1.156 CCCOCC(=O)NC1CCCC1 1626a_100000211070_100000745993 [0,0,0,1,0,0|3,0,0]=4 3990 B13R1.156 CCCOCC(=O)NC1CCCC1 240690a_100000211070_100000745993 [0,0,0,1,0,0|3,0,0]=4 3991 B13R1.156 CCCOCC(=O)NC1CCCC1 34a_100000210258_100000183512 [0,0,0,1,0,0|3,0,0]=4 3992 B13R1.156 CCCOCC(=O)NC1CCCC1 527a_100000211070_100000745993 [0,0,0,1,0,0|3,0,0]=4 3993 B13R1.156 CCCOCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000745993 [0,0,0,1,0,0|2,1,0]=4 3994 B13R1.156 CCCOCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000745993 [0,0,0,1,0,0|2,1,0]=4 3995 B13R1.156 CCCOCC(=O)N[C@H]1CCOC1 11a_100015188467_100000745993 [0,0,0,1,0,0|2,1,0]=4 3996 B13R1.156 CCCOCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000745993 [0,0,0,1,0,0|2,1,0]=4 3997 B13R1.156 CCCOCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000745993 [0,0,0,1,0,0|2,1,0]=4 3998 B13R1.156 CCCOCC(=O)N[C@H]1CCOC1 527a_100015188467_100000745993 [0,0,0,1,0,0|2,1,0]=4 3999 B13R1.156 CCCSCC(=O)CC1CCCC1 1458a_100000217233_100000740388 [0,0,0,1,0,0|3,0,0]=4 4000 B13R1.156 CCCSCC(=O)CC1CCOC1 1458a_100000217233_100000702531 [0,0,0,1,0,0|2,1,0]=4 4001 B13R1.156 CCCSCC(=O)NC1CCCC1 11a_100000211070_100000217233 [0,0,0,1,0,0|3,0,0]=4 4002 B13R1.156 CCCSCC(=O)NC1CCCC1 1626a_100000211070_100000217233 [0,0,0,1,0,0|3,0,0]=4 4003 B13R1.156 CCCSCC(=O)NC1CCCC1 240690a_100000211070_100000217233 [0,0,0,1,0,0|3,0,0]=4 4004 B13R1.156 CCCSCC(=O)NC1CCCC1 527a_100000211070_100000217233 [0,0,0,1,0,0|3,0,0]=4 4005 B13R1.156 CCCSCC(=O)NC1CCCC1 62a_100000183512_100000210303 [0,0,0,1,0,0|3,0,0]=4 4006 B13R1.156 CCCSCC(=O)NC1CCCC1 62a_100000210303_100000183512 [0,0,0,1,0,0|3,0,0]=4 4007 B13R1.156 CCCSCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000217233 [0,0,0,1,0,0|2,1,0]=4 4008 B13R1.156 CCCSCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000217233 [0,0,0,1,0,0|2,1,0]=4 4009 B13R1.156 CCCSCC(=O)N[C@H]1CCOC1 11a_100015188467_100000217233 [0,0,0,1,0,0|2,1,0]=4 4010 B13R1.156 CCCSCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000217233 [0,0,0,1,0,0|2,1,0]=4 4011 B13R1.156 CCCSCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000217233 [0,0,0,1,0,0|2,1,0]=4 4012 B13R1.156 CCCSCC(=O)N[C@H]1CCOC1 527a_100015188467_100000217233 [0,0,0,1,0,0|2,1,0]=4 4013 B13R1.156 CCNCCC(=O)NC1CCCC1 2230a_100015525214_100000743710 [0,0,0,1,0,0|3,0,0]=4 4014 B13R1.156 CCOCCC(=O)CC1CCCC1 1458a_100000210891_100011215890 [0,0,0,1,0,0|3,0,0]=4 4015 B13R1.156 CCOCCC(=O)CC1CCCC1 1458a_100000749530_100000740388 [0,0,0,1,0,0|3,0,0]=4 4016 B13R1.156 CCOCCC(=O)CC1CCOC1 1458a_100000749530_100000702531 [0,0,0,1,0,0|2,1,0]=4 4017 B13R1.156 CCOCCC(=O)CC1CCOC1 1458a_100011218419_100011215890 [0,0,0,1,0,0|2,1,0]=4 4018 B13R1.156 CCOCCC(=O)NC1CCCC1 11a_100000211070_100000749530 [0,0,0,1,0,0|3,0,0]=4 4019 B13R1.156 CCOCCC(=O)NC1CCCC1 1626a_100000211070_100000749530 [0,0,0,1,0,0|3,0,0]=4 4020 B13R1.156 CCOCCC(=O)NC1CCCC1 240690a_100000211070_100000749530 [0,0,0,1,0,0|3,0,0]=4 4021 B13R1.156 CCOCCC(=O)NC1CCCC1 527a_100000211070_100000749530 [0,0,0,1,0,0|3,0,0]=4 4022 B13R1.156 CCOCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000749530 [0,0,0,1,0,0|2,1,0]=4 4023 B13R1.156 CCOCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000749530 [0,0,0,1,0,0|2,1,0]=4 4024 B13R1.156 CCOCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000749530 [0,0,0,1,0,0|2,1,0]=4 4025 B13R1.156 CCOCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000749530 [0,0,0,1,0,0|2,1,0]=4 4026 B13R1.156 CCOCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000749530 [0,0,0,1,0,0|2,1,0]=4 4027 B13R1.156 CCOCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000749530 [0,0,0,1,0,0|2,1,0]=4 4028 B13R1.156 CCSCCC(=O)CC1CCCC1 1458a_100000210891_100000757381 [0,0,0,1,0,0|3,0,0]=4 4029 B13R1.156 CCSCCC(=O)CC1CCCC1 1458a_100000230768_100000740388 [0,0,0,1,0,0|3,0,0]=4 4030 B13R1.156 CCSCCC(=O)CC1CCOC1 1458a_100000230768_100000702531 [0,0,0,1,0,0|2,1,0]=4 4031 B13R1.156 CCSCCC(=O)CC1CCOC1 1458a_100011218419_100000757381 [0,0,0,1,0,0|2,1,0]=4 4032 B13R1.156 CCSCCC(=O)NC1CCCC1 11a_100000211070_100000230768 [0,0,0,1,0,0|3,0,0]=4 4033 B13R1.156 CCSCCC(=O)NC1CCCC1 1626a_100000211070_100000230768 [0,0,0,1,0,0|3,0,0]=4 4034 B13R1.156 CCSCCC(=O)NC1CCCC1 240690a_100000211070_100000230768 [0,0,0,1,0,0|3,0,0]=4 4035 B13R1.156 CCSCCC(=O)NC1CCCC1 527a_100000211070_100000230768 [0,0,0,1,0,0|3,0,0]=4 4036 B13R1.156 CCSCCC(=O)NC1CCCC1 62a_100000210202_100000743710 [0,0,0,1,0,0|3,0,0]=4 4037 B13R1.156 CCSCCC(=O)NC1CCCC1 62a_100000743710_100000210202 [0,0,0,1,0,0|3,0,0]=4 4038 B13R1.156 CCSCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000230768 [0,0,0,1,0,0|2,1,0]=4 4039 B13R1.156 CCSCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000230768 [0,0,0,1,0,0|2,1,0]=4 4040 B13R1.156 CCSCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000230768 [0,0,0,1,0,0|2,1,0]=4 4041 B13R1.156 CCSCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000230768 [0,0,0,1,0,0|2,1,0]=4 4042 B13R1.156 CCSCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000230768 [0,0,0,1,0,0|2,1,0]=4 4043 B13R1.156 CCSCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000230768 [0,0,0,1,0,0|2,1,0]=4 4044 B13R1.156 COCCCC(=O)CC1CCCC1 1458a_100000210891_100000740836 [0,0,0,1,0,0|3,0,0]=4 4045 B13R1.156 COCCCC(=O)CC1CCCC1 1458a_100000741012_100000740388 [0,0,0,1,0,0|3,0,0]=4 4046 B13R1.156 COCCCC(=O)CC1CCOC1 1458a_100000741012_100000702531 [0,0,0,1,0,0|2,1,0]=4 4047 B13R1.156 COCCCC(=O)CC1CCOC1 1458a_100011218419_100000740836 [0,0,0,1,0,0|2,1,0]=4 4048 B13R1.156 COCCCC(=O)NC1CCCC1 11a_100000211070_100000741012 [0,0,0,1,0,0|3,0,0]=4 4049 B13R1.156 COCCCC(=O)NC1CCCC1 1626a_100000211070_100000741012 [0,0,0,1,0,0|3,0,0]=4 4050 B13R1.156 COCCCC(=O)NC1CCCC1 240690a_100000211070_100000741012 [0,0,0,1,0,0|3,0,0]=4 4051 B13R1.156 COCCCC(=O)NC1CCCC1 527a_100000211070_100000741012 [0,0,0,1,0,0|3,0,0]=4 4052 B13R1.156 COCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000741012 [0,0,0,1,0,0|2,1,0]=4 4053 B13R1.156 COCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000741012 [0,0,0,1,0,0|2,1,0]=4 4054 B13R1.156 COCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000741012 [0,0,0,1,0,0|2,1,0]=4 4055 B13R1.156 COCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000741012 [0,0,0,1,0,0|2,1,0]=4 4056 B13R1.156 COCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000741012 [0,0,0,1,0,0|2,1,0]=4 4057 B13R1.156 COCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000741012 [0,0,0,1,0,0|2,1,0]=4 4058 B13R1.156 CSCCCC(=O)CC1CCCC1 1458a_100000173376_100000740388 [0,0,0,1,0,0|3,0,0]=4 4059 B13R1.156 CSCCCC(=O)CC1CCOC1 1458a_100000173376_100000702531 [0,0,0,1,0,0|2,1,0]=4 4060 B13R1.156 CSCCCC(=O)NC1CCCC1 11a_100000211070_100000173376 [0,0,0,1,0,0|3,0,0]=4 4061 B13R1.156 CSCCCC(=O)NC1CCCC1 1626a_100000211070_100000173376 [0,0,0,1,0,0|3,0,0]=4 4062 B13R1.156 CSCCCC(=O)NC1CCCC1 240690a_100000211070_100000173376 [0,0,0,1,0,0|3,0,0]=4 4063 B13R1.156 CSCCCC(=O)NC1CCCC1 527a_100000211070_100000173376 [0,0,0,1,0,0|3,0,0]=4 4064 B13R1.156 CSCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000173376 [0,0,0,1,0,0|2,1,0]=4 4065 B13R1.156 CSCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000173376 [0,0,0,1,0,0|2,1,0]=4 4066 B13R1.156 CSCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000173376 [0,0,0,1,0,0|2,1,0]=4 4067 B13R1.156 CSCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000173376 [0,0,0,1,0,0|2,1,0]=4 4068 B13R1.156 CSCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000173376 [0,0,0,1,0,0|2,1,0]=4 4069 B13R1.156 CSCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000173376 [0,0,0,1,0,0|2,1,0]=4 4070 B13R1.156 O=C(CCCCF)CC1CCCC1 1458a_100000210891_100000729493 [0,0,0,1,0,0|3,0,0]=4 4071 B13R1.156 O=C(CCCCF)CC1CCOC1 1458a_100011218419_100000729493 [0,0,0,1,0,0|2,1,0]=4 4072 B13R1.156 O=C(CCCCO)CC1CCCC1 1458a_100000210891_100000210776 [0,0,0,1,0,0|3,0,0]=4 4073 B13R1.156 O=C(CCCCO)CC1CCCC1 1458a_100000695505_100000740388 [0,0,0,1,0,0|3,0,0]=4 4074 B13R1.156 O=C(CCCCO)CC1CCOC1 1458a_100000695505_100000702531 [0,0,0,1,0,0|2,1,0]=4 4075 B13R1.156 O=C(CCCCO)CC1CCOC1 1458a_100011218419_100000210776 [0,0,0,1,0,0|2,1,0]=4 4076 B13R1.156 O=C(CCCCO)NC1CCCC1 1626a_100000211070_100000695505 [0,0,0,1,0,0|3,0,0]=4 4077 B13R1.156 O=C(CCCCO)N[C@H]1CCOC1 1626a_100015188467_100000695505 [0,0,0,1,0,0|2,1,0]=4 4078 B13R1.189 CCC1CCC(C1)NCCCSC 270004a_100000749238_100011218773 [0,0,0,1,0,0|2,0,1]=4 4079 B13R1.189 CCN1CCC(C1)OCCCSC 7a_100000690336_200011861547 [0,0,0,1,0,0|2,0,1]=4 4080 B13R1.657 CCCCCc1nc(no1)CSC 270196a_100000749773_100000212188 [0,0,0,1,0,0|2,0,1]=4 4081 B13R1.725 CC1CCCC1C(=O)CCCCF 1458a_100000690547_100000729493 [0,0,0,1,0,0|3,0,0]=4 4082 B13R1.725 CC1CCCC1C(=O)CCCCO 1458a_100000690547_100000210776 [0,0,0,1,0,0|3,0,0]=4 4083 B13R1.725 CCCCCC(=O)C1CCCC1=O 1458a_100000212188_100000211823 [0,0,0,1,0,0|3,0,0]=4 4084 B13R1.725 CCCCCC(=O)C1CCCC1C 1458a_100000690547_100000210326 [0,0,0,1,0,0|2,0,0]=3 4085 B13R1.725 CCCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000212188 [0,0,0,1,0,0|2,0,0]=3 4086 B13R1.725 CCCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000212188 [0,0,0,1,0,0|2,0,0]=3 4087 B13R1.725 CCCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000212188 [0,0,0,1,0,0|2,0,0]=3 4088 B13R1.725 CCCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000212188 [0,0,0,1,0,0|2,0,0]=3 4089 B13R1.725 CCCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000212188 [0,0,0,1,0,0|2,0,0]=3 4090 B13R1.725 CCCCCC(=O)N1CCSC1C 11a_200011216479_100000212188 [0,0,0,1,0,0|3,0,0]=4 4091 B13R1.725 CCCCCC(=O)N1CCSC1C 1626a_200011216479_100000212188 [0,0,0,1,0,0|3,0,0]=4 4092 B13R1.725 CCCCCC(=O)N1CCSC1C 240690a_200011216479_100000212188 [0,0,0,1,0,0|3,0,0]=4 4093 B13R1.725 CCCCCC(=O)N1CCSC1C 527a_200011216479_100000212188 [0,0,0,1,0,0|3,0,0]=4 4094 B13R1.725 CCCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210326 [0,0,0,1,0,0|2,0,0]=3 4095 B13R1.725 CCCCNC(=O)C1CCCC1C 11a_100000102301_100000690547 [0,0,0,1,0,0|3,0,0]=4 4096 B13R1.725 CCCCNC(=O)C1CCCC1C 1626a_100000102301_100000690547 [0,0,0,1,0,0|3,0,0]=4 4097 B13R1.725 CCCCNC(=O)C1CCCC1C 240690a_100000102301_100000690547 [0,0,0,1,0,0|3,0,0]=4 4098 B13R1.725 CCCCNC(=O)C1CCCC1C 527a_100000102301_100000690547 [0,0,0,1,0,0|3,0,0]=4 4099 B13R1.725 CCCCNC(=O)N1CCC[C@@H]1C 2708a_100000102301_100020605311 [0,0,0,1,0,0|3,0,0]=4 4100 B13R1.725 CCCCNC(=O)N1CCC[C@@H]1C 273464a_100000102301_100020605311 [0,0,0,1,0,0|3,0,0]=4 4101 B13R1.725 CCCCNC(=O)N1CCC[C@H]1C 2708a_100000102301_100015189458 [0,0,0,1,0,0|3,0,0]=4 4102 B13R1.725 CCCCNC(=O)N1CCC[C@H]1C 273464a_100000102301_100015189458 [0,0,0,1,0,0|3,0,0]=4 4103 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C 11a_100000102301_100009816429 [0,0,0,1,0,0|3,0,0]=4 4104 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C 240690a_100000102301_100009816429 [0,0,0,1,0,0|3,0,0]=4 4105 B13R1.725 CCCCNC(=O)[C@@H]1CCCN1C 527a_100000102301_100009816429 [0,0,0,1,0,0|3,0,0]=4 4106 B13R1.725 CCCOCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000745993 [0,0,0,1,0,0|3,0,0]=4 4107 B13R1.725 CCCOCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000745993 [0,0,0,1,0,0|3,0,0]=4 4108 B13R1.725 CCCOCC(=O)N1CCC[C@H]1C 11a_100015189458_100000745993 [0,0,0,1,0,0|3,0,0]=4 4109 B13R1.725 CCCOCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000745993 [0,0,0,1,0,0|3,0,0]=4 4110 B13R1.725 CCCOCC(=O)N1CCC[C@H]1C 527a_100015189458_100000745993 [0,0,0,1,0,0|3,0,0]=4 4111 B13R1.725 CCCSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000217233 [0,0,0,1,0,0|3,0,0]=4 4112 B13R1.725 CCCSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000217233 [0,0,0,1,0,0|3,0,0]=4 4113 B13R1.725 CCCSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000217233 [0,0,0,1,0,0|3,0,0]=4 4114 B13R1.725 CCCSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000217233 [0,0,0,1,0,0|3,0,0]=4 4115 B13R1.725 CCCSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000217233 [0,0,0,1,0,0|3,0,0]=4 4116 B13R1.725 CCOCCC(=O)C1CCCC1C 1458a_100000690547_100011215890 [0,0,0,1,0,0|3,0,0]=4 4117 B13R1.725 CCOCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000749530 [0,0,0,1,0,0|3,0,0]=4 4118 B13R1.725 CCOCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000749530 [0,0,0,1,0,0|3,0,0]=4 4119 B13R1.725 CCOCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000749530 [0,0,0,1,0,0|3,0,0]=4 4120 B13R1.725 CCOCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000749530 [0,0,0,1,0,0|3,0,0]=4 4121 B13R1.725 CCOCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000749530 [0,0,0,1,0,0|3,0,0]=4 4122 B13R1.725 CCOCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011215890 [0,0,0,1,0,0|3,0,0]=4 4123 B13R1.725 CCSCCC(=O)C1CCCC1C 1458a_100000690547_100000757381 [0,0,0,1,0,0|3,0,0]=4 4124 B13R1.725 CCSCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000230768 [0,0,0,1,0,0|3,0,0]=4 4125 B13R1.725 CCSCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000230768 [0,0,0,1,0,0|3,0,0]=4 4126 B13R1.725 CCSCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000230768 [0,0,0,1,0,0|3,0,0]=4 4127 B13R1.725 CCSCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000230768 [0,0,0,1,0,0|3,0,0]=4 4128 B13R1.725 CCSCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000230768 [0,0,0,1,0,0|3,0,0]=4 4129 B13R1.725 CCSCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000757381 [0,0,0,1,0,0|3,0,0]=4 4130 B13R1.725 CN1CCC[C@H]1C(=O)CCCCF 1458a_100009816429_100000729493 [0,0,0,1,0,0|3,0,0]=4 4131 B13R1.725 CN1CCC[C@H]1C(=O)CCCCO 1458a_100009816429_100000210776 [0,0,0,1,0,0|3,0,0]=4 4132 B13R1.725 COCCCC(=O)C1CCCC1C 1458a_100000690547_100000740836 [0,0,0,1,0,0|3,0,0]=4 4133 B13R1.725 COCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000741012 [0,0,0,1,0,0|3,0,0]=4 4134 B13R1.725 COCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000741012 [0,0,0,1,0,0|3,0,0]=4 4135 B13R1.725 COCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000741012 [0,0,0,1,0,0|3,0,0]=4 4136 B13R1.725 COCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000741012 [0,0,0,1,0,0|3,0,0]=4 4137 B13R1.725 COCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000741012 [0,0,0,1,0,0|3,0,0]=4 4138 B13R1.725 COCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000740836 [0,0,0,1,0,0|3,0,0]=4 4139 B13R1.725 CSCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000173376 [0,0,0,1,0,0|3,0,0]=4 4140 B13R1.725 CSCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000173376 [0,0,0,1,0,0|3,0,0]=4 4141 B13R1.725 CSCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000173376 [0,0,0,1,0,0|3,0,0]=4 4142 B13R1.725 CSCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000173376 [0,0,0,1,0,0|3,0,0]=4 4143 B13R1.725 CSCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000173376 [0,0,0,1,0,0|3,0,0]=4 4144 B13R1.728 CCCCCC(=O)CNC1CCC1 2230a_100000749019_200012276598 [0,0,0,1,0,0|3,0,0]=4 4145 B13R1.728 CCCCCC(=O)CNC1CCC1 34a_100000749019_200012276598 [0,0,0,1,0,0|3,0,0]=4 4146 B13R1.728 CCCCCC(=O)CNC1COC1 2230a_100016991112_200012276598 [0,0,0,1,0,0|2,1,0]=4 4147 B13R1.728 CCCCCC(=O)COC1CCC1 34a_100000748187_200012276598 [0,0,0,1,0,0|3,0,0]=4 4148 B13R1.728 CCCCCC(=O)COC1CSC1 7a_100000072292_200012276598 [0,0,0,1,0,0|2,0,0]=3 4149 B13R1.728 CCCCCC(=O)CSC1CCC1 62a_200012276598_100000749161 [0,0,0,1,0,0|3,0,0]=4 4150 B13R1.728 CCCCCC(=O)CSC1COC1 62a_200012276598_100009818527 [0,0,0,1,0,0|2,1,0]=4 4151 B13R1.728 CCCCCC(=O)NCC1CCC1 11a_100000738700_100000212188 [0,0,0,1,0,0|2,0,0]=3 4152 B13R1.728 CCCCCC(=O)NCC1CCC1 1626a_100000738700_100000212188 [0,0,0,1,0,0|2,0,0]=3 4153 B13R1.728 CCCCCC(=O)NCC1CCC1 240690a_100000738700_100000212188 [0,0,0,1,0,0|2,0,0]=3 4154 B13R1.728 CCCCCC(=O)NCC1CCC1 527a_100000738700_100000212188 [0,0,0,1,0,0|2,0,0]=3 4155 B13R1.728 CCCCCC(=O)NCC1COC1 11a_100015281925_100000212188 [0,0,0,1,0,0|1,1,0]=3 4156 B13R1.728 CCCCCC(=O)NCC1COC1 1626a_100015281925_100000212188 [0,0,0,1,0,0|1,1,0]=3 4157 B13R1.728 CCCCCC(=O)NCC1COC1 240690a_100015281925_100000212188 [0,0,0,1,0,0|1,1,0]=3 4158 B13R1.728 CCCCCC(=O)NCC1COC1 527a_100015281925_100000212188 [0,0,0,1,0,0|1,1,0]=3 4159 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000212188 [0,0,0,1,0,0|3,0,0]=4 4160 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000212188 [0,0,0,1,0,0|3,0,0]=4 4161 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000212188 [0,0,0,1,0,0|3,0,0]=4 4162 B13R1.728 CCCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000212188 [0,0,0,1,0,0|3,0,0]=4 4163 B13R1.728 CCCCCC(=O)NN=C1CSC1 4a_100000189784_100000073008 [0,0,0,1,0,0|2,0,1]=4 4164 B13R1.728 CCCCCC(=O)NNC1CCC1 22a_100000736358_100000212188 [0,0,0,1,0,0|3,0,0]=4 4165 B13R1.728 CCCCCC(=O)NNC1COC1 22a_100015188821_100000212188 [0,0,0,1,0,0|2,1,0]=4 4166 B13R1.728 CCCCCC(C)OCC1CCC1 34a_100000760304_200011218191 [0,0,0,1,0,0|2,0,1]=4 4167 B13R1.728 CCCCCC(C)OCC1CCC1 34a_100011215632_100000763275 [0,0,0,1,0,0|2,0,1]=4 4168 B13R1.728 CCCCCC(C)OCC1CCC1 7a_100011215632_100000763275 [0,0,0,1,0,0|2,0,1]=4 4169 B13R1.728 CCCCCC(C)OCC1CNC1 34a_100016987283_200011218191 [0,0,0,1,0,0|2,0,1]=4 4170 B13R1.728 CCCCCC(C)OCC1COC1 34a_100000060846_200011218191 [0,0,0,1,0,0|1,1,1]=4 4171 B13R1.728 CCCCCC(C)OCC1COC1 34a_100011215632_100010264016 [0,0,0,1,0,0|1,1,1]=4 4172 B13R1.728 CCCCCC(C)OCC1COC1 7a_100011215632_100010264016 [0,0,0,1,0,0|1,1,1]=4 4173 B13R1.728 CCCCNC(=O)COC1CSC1 7a_100000072292_100000182744 [0,0,0,1,0,0|3,0,0]=4 4174 B13R1.728 CCCCNC(=O)NCC1CCC1 2708a_100000102301_100000738700 [0,0,0,1,0,0|3,0,0]=4 4175 B13R1.728 CCCCNC(=O)NCC1CCC1 2708a_100000738700_100000102301 [0,0,0,1,0,0|3,0,0]=4 4176 B13R1.728 CCCCNC(=O)NCC1CCC1 273464a_100000102301_100000738700 [0,0,0,1,0,0|3,0,0]=4 4177 B13R1.728 CCCCNC(=O)NCC1CCC1 273464a_100000738700_100000102301 [0,0,0,1,0,0|3,0,0]=4 4178 B13R1.728 CCCCNC(=O)NCC1CCC1 512a_100000102301_100000738700 [0,0,0,1,0,0|3,0,0]=4 4179 B13R1.728 CCCCNC(=O)NCC1CCC1 512a_100000738700_100000102301 [0,0,0,1,0,0|3,0,0]=4 4180 B13R1.728 CCCCNC(=O)NCC1COC1 2708a_100000102301_100015281925 [0,0,0,1,0,0|2,1,0]=4 4181 B13R1.728 CCCCNC(=O)NCC1COC1 2708a_100015281925_100000102301 [0,0,0,1,0,0|2,1,0]=4 4182 B13R1.728 CCCCNC(=O)NCC1COC1 273464a_100000102301_100015281925 [0,0,0,1,0,0|2,1,0]=4 4183 B13R1.728 CCCCNC(=O)NCC1COC1 273464a_100015281925_100000102301 [0,0,0,1,0,0|2,1,0]=4 4184 B13R1.728 CCCCNC(=O)NCC1COC1 512a_100000102301_100015281925 [0,0,0,1,0,0|2,1,0]=4 4185 B13R1.728 CCCCNC(=O)NCC1COC1 512a_100015281925_100000102301 [0,0,0,1,0,0|2,1,0]=4 4186 B13R1.728 CCCCOC(=O)COC1CSC1 7a_100000072292_100000211628 [0,0,0,1,0,0|3,0,0]=4 4187 B13R1.728 CCCOCC(=O)NCC1CCC1 11a_100000738700_100000745993 [0,0,0,1,0,0|3,0,0]=4 4188 B13R1.728 CCCOCC(=O)NCC1CCC1 1626a_100000738700_100000745993 [0,0,0,1,0,0|3,0,0]=4 4189 B13R1.728 CCCOCC(=O)NCC1CCC1 240690a_100000738700_100000745993 [0,0,0,1,0,0|3,0,0]=4 4190 B13R1.728 CCCOCC(=O)NCC1CCC1 527a_100000738700_100000745993 [0,0,0,1,0,0|3,0,0]=4 4191 B13R1.728 CCCOCC(=O)NCC1COC1 11a_100015281925_100000745993 [0,0,0,1,0,0|2,1,0]=4 4192 B13R1.728 CCCOCC(=O)NCC1COC1 1626a_100015281925_100000745993 [0,0,0,1,0,0|2,1,0]=4 4193 B13R1.728 CCCOCC(=O)NCC1COC1 240690a_100015281925_100000745993 [0,0,0,1,0,0|2,1,0]=4 4194 B13R1.728 CCCOCC(=O)NCC1COC1 527a_100015281925_100000745993 [0,0,0,1,0,0|2,1,0]=4 4195 B13R1.728 CCCSCC(=O)NCC1CCC1 11a_100000738700_100000217233 [0,0,0,1,0,0|3,0,0]=4 4196 B13R1.728 CCCSCC(=O)NCC1CCC1 1626a_100000738700_100000217233 [0,0,0,1,0,0|3,0,0]=4 4197 B13R1.728 CCCSCC(=O)NCC1CCC1 240690a_100000738700_100000217233 [0,0,0,1,0,0|3,0,0]=4 4198 B13R1.728 CCCSCC(=O)NCC1CCC1 527a_100000738700_100000217233 [0,0,0,1,0,0|3,0,0]=4 4199 B13R1.728 CCCSCC(=O)NCC1COC1 11a_100015281925_100000217233 [0,0,0,1,0,0|2,1,0]=4 4200 B13R1.728 CCCSCC(=O)NCC1COC1 1626a_100015281925_100000217233 [0,0,0,1,0,0|2,1,0]=4 4201 B13R1.728 CCCSCC(=O)NCC1COC1 240690a_100015281925_100000217233 [0,0,0,1,0,0|2,1,0]=4 4202 B13R1.728 CCCSCC(=O)NCC1COC1 527a_100015281925_100000217233 [0,0,0,1,0,0|2,1,0]=4 4203 B13R1.728 CCOCCC(=O)NCC1CCC1 11a_100000738700_100000749530 [0,0,0,1,0,0|3,0,0]=4 4204 B13R1.728 CCOCCC(=O)NCC1CCC1 1626a_100000738700_100000749530 [0,0,0,1,0,0|3,0,0]=4 4205 B13R1.728 CCOCCC(=O)NCC1CCC1 240690a_100000738700_100000749530 [0,0,0,1,0,0|3,0,0]=4 4206 B13R1.728 CCOCCC(=O)NCC1CCC1 527a_100000738700_100000749530 [0,0,0,1,0,0|3,0,0]=4 4207 B13R1.728 CCOCCC(=O)NCC1COC1 11a_100015281925_100000749530 [0,0,0,1,0,0|2,1,0]=4 4208 B13R1.728 CCOCCC(=O)NCC1COC1 1626a_100015281925_100000749530 [0,0,0,1,0,0|2,1,0]=4 4209 B13R1.728 CCOCCC(=O)NCC1COC1 240690a_100015281925_100000749530 [0,0,0,1,0,0|2,1,0]=4 4210 B13R1.728 CCOCCC(=O)NCC1COC1 527a_100015281925_100000749530 [0,0,0,1,0,0|2,1,0]=4 4211 B13R1.728 CCSCCC(=O)NCC1CCC1 11a_100000738700_100000230768 [0,0,0,1,0,0|3,0,0]=4 4212 B13R1.728 CCSCCC(=O)NCC1CCC1 1626a_100000738700_100000230768 [0,0,0,1,0,0|3,0,0]=4 4213 B13R1.728 CCSCCC(=O)NCC1CCC1 240690a_100000738700_100000230768 [0,0,0,1,0,0|3,0,0]=4 4214 B13R1.728 CCSCCC(=O)NCC1CCC1 527a_100000738700_100000230768 [0,0,0,1,0,0|3,0,0]=4 4215 B13R1.728 CCSCCC(=O)NCC1COC1 11a_100015281925_100000230768 [0,0,0,1,0,0|2,1,0]=4 4216 B13R1.728 CCSCCC(=O)NCC1COC1 1626a_100015281925_100000230768 [0,0,0,1,0,0|2,1,0]=4 4217 B13R1.728 CCSCCC(=O)NCC1COC1 240690a_100015281925_100000230768 [0,0,0,1,0,0|2,1,0]=4 4218 B13R1.728 CCSCCC(=O)NCC1COC1 527a_100015281925_100000230768 [0,0,0,1,0,0|2,1,0]=4 4219 B13R1.728 COCCCC(=O)NCC1CCC1 11a_100000738700_100000741012 [0,0,0,1,0,0|3,0,0]=4 4220 B13R1.728 COCCCC(=O)NCC1CCC1 1626a_100000738700_100000741012 [0,0,0,1,0,0|3,0,0]=4 4221 B13R1.728 COCCCC(=O)NCC1CCC1 240690a_100000738700_100000741012 [0,0,0,1,0,0|3,0,0]=4 4222 B13R1.728 COCCCC(=O)NCC1CCC1 527a_100000738700_100000741012 [0,0,0,1,0,0|3,0,0]=4 4223 B13R1.728 COCCCC(=O)NCC1COC1 11a_100015281925_100000741012 [0,0,0,1,0,0|2,1,0]=4 4224 B13R1.728 COCCCC(=O)NCC1COC1 1626a_100015281925_100000741012 [0,0,0,1,0,0|2,1,0]=4 4225 B13R1.728 COCCCC(=O)NCC1COC1 240690a_100015281925_100000741012 [0,0,0,1,0,0|2,1,0]=4 4226 B13R1.728 COCCCC(=O)NCC1COC1 527a_100015281925_100000741012 [0,0,0,1,0,0|2,1,0]=4 4227 B13R1.728 CSCCCC(=O)NCC1CCC1 11a_100000738700_100000173376 [0,0,0,1,0,0|3,0,0]=4 4228 B13R1.728 CSCCCC(=O)NCC1CCC1 1626a_100000738700_100000173376 [0,0,0,1,0,0|3,0,0]=4 4229 B13R1.728 CSCCCC(=O)NCC1CCC1 240690a_100000738700_100000173376 [0,0,0,1,0,0|3,0,0]=4 4230 B13R1.728 CSCCCC(=O)NCC1CCC1 527a_100000738700_100000173376 [0,0,0,1,0,0|3,0,0]=4 4231 B13R1.728 CSCCCC(=O)NCC1COC1 11a_100015281925_100000173376 [0,0,0,1,0,0|2,1,0]=4 4232 B13R1.728 CSCCCC(=O)NCC1COC1 1626a_100015281925_100000173376 [0,0,0,1,0,0|2,1,0]=4 4233 B13R1.728 CSCCCC(=O)NCC1COC1 240690a_100015281925_100000173376 [0,0,0,1,0,0|2,1,0]=4 4234 B13R1.728 CSCCCC(=O)NCC1COC1 527a_100015281925_100000173376 [0,0,0,1,0,0|2,1,0]=4 4235 B13R1.728 O=C(CCCCO)NCC1CCC1 1626a_100000738700_100000695505 [0,0,0,1,0,0|3,0,0]=4 4236 B13R1.728 O=C(CCCCO)NCC1COC1 1626a_100015281925_100000695505 [0,0,0,1,0,0|2,1,0]=4 4237 B13R1.729 CCCCCC(=O)CCCC1CO1 1458a_100000212188_100000733510 [0,0,0,1,0,0|1,1,0]=3 4238 B13R1.729 CCCCCC(=O)CNCC1CC1 2230a_100000735609_200012276598 [0,0,0,1,0,0|3,0,0]=4 4239 B13R1.729 CCCCCC(=O)CNCC1CC1 34a_100000735609_200012276598 [0,0,0,1,0,0|3,0,0]=4 4240 B13R1.729 CCCCCC(=O)COCC1CC1 34a_100000211283_200012276598 [0,0,0,1,0,0|3,0,0]=4 4241 B13R1.729 CCCCCC(=O)COC[C@@H]1CO1 34a_100000757423_200012276598 [0,0,0,1,0,0|2,1,0]=4 4242 B13R1.729 CCCCCC(=O)CSCC1CC1 1458a_200011316215_100000210326 [0,0,0,1,0,0|3,0,0]=4 4243 B13R1.729 CCCCCC(=O)CSCC1CC1 62a_100000756562_200012276598 [0,0,0,1,0,0|3,0,0]=4 4244 B13R1.729 CCCCCC(=O)CSCC1CC1 62a_200012276598_100000742324 [0,0,0,1,0,0|3,0,0]=4 4245 B13R1.729 CCCCCC(=O)CSCC1CO1 62a_102125554688_200012276598 [0,0,0,1,0,0|2,1,0]=4 4246 B13R1.729 CCCCCC(=O)CSCC1CO1 62a_200012276598_102125554688 [0,0,0,1,0,0|2,1,0]=4 4247 B13R1.729 CCCCCC(=O)CSCC1CS1 62a_100000031435_200012276598 [0,0,0,1,0,0|2,0,0]=3 4248 B13R1.729 CCCCCC(=O)CSCC1CS1 62a_200012276598_100000031435 [0,0,0,1,0,0|2,0,0]=3 4249 B13R1.729 CCCCCC(=O)CSC[C@@H]1CO1 62a_100000745022_200012276598 [0,0,0,1,0,0|2,1,0]=4 4250 B13R1.729 CCCCCC(=O)CSC[C@@H]1CO1 62a_200012276598_100000745022 [0,0,0,1,0,0|2,1,0]=4 4251 B13R1.729 CCCCCC(=O)NCCC1CC1 1626a_100000764129_100000212188 [0,0,0,1,0,0|2,0,0]=3 4252 B13R1.729 CCCCCC(=O)NCCC1CC1 240690a_100000764129_100000212188 [0,0,0,1,0,0|2,0,0]=3 4253 B13R1.729 CCCCCC(=O)NCCC1CC1 527a_100000764129_100000212188 [0,0,0,1,0,0|2,0,0]=3 4254 B13R1.729 CCCCCC(=O)NNCC1CC1 22a_100000736359_100000212188 [0,0,0,1,0,0|3,0,0]=4 4255 B13R1.729 CCCCCC(C)OCCC1CC1 34a_100000754188_200011218191 [0,0,0,1,0,0|2,0,1]=4 4256 B13R1.729 CCCCCC(C)OCCC1CC1 34a_100011215632_100000694398 [0,0,0,1,0,0|2,0,1]=4 4257 B13R1.729 CCCCCC(C)OCCC1CC1 7a_100000754188_200011218191 [0,0,0,1,0,0|2,0,1]=4 4258 B13R1.729 CCCCCC(C)OCCC1CC1 7a_100011215632_100000764125 [0,0,0,1,0,0|2,0,1]=4 4259 B13R1.729 CCCCCC(C)OCCC1CO1 34a_100011215632_100000732470 [0,0,0,1,0,0|1,1,1]=4 4260 B13R1.729 CCCCCC(C)OCCC1CO1 7a_100011215632_100000732470 [0,0,0,1,0,0|1,1,1]=4 4261 B13R1.729 CCCCCC(C)OCC[C@@H]1CO1 34a_100009820653_200011218191 [0,0,0,1,0,0|1,1,1]=4 4262 B13R1.729 CCCCNC(=O)CSCC1CS1 62a_100000031435_100000182744 [0,0,0,1,0,0|3,0,0]=4 4263 B13R1.729 CCCCNC(=O)CSCC1CS1 62a_100000182744_100000031435 [0,0,0,1,0,0|3,0,0]=4 4264 B13R1.729 CCCCNC(=O)NCCC1CC1 2708a_100000102301_100000764129 [0,0,0,1,0,0|3,0,0]=4 4265 B13R1.729 CCCCNC(=O)NCCC1CC1 2708a_100000764129_100000102301 [0,0,0,1,0,0|3,0,0]=4 4266 B13R1.729 CCCCNC(=O)NCCC1CC1 273464a_100000102301_100000764129 [0,0,0,1,0,0|3,0,0]=4 4267 B13R1.729 CCCCNC(=O)NCCC1CC1 273464a_100000764129_100000102301 [0,0,0,1,0,0|3,0,0]=4 4268 B13R1.729 CCCCNC(=O)NCCC1CC1 512a_100000102301_100000764129 [0,0,0,1,0,0|3,0,0]=4 4269 B13R1.729 CCCCNC(=O)NCCC1CC1 512a_100000764129_100000102301 [0,0,0,1,0,0|3,0,0]=4 4270 B13R1.729 CCCCOC(=O)CSCC1CS1 62a_100000031435_100000211628 [0,0,0,1,0,0|3,0,0]=4 4271 B13R1.729 CCCCOC(=O)CSCC1CS1 62a_100000211628_100000031435 [0,0,0,1,0,0|3,0,0]=4 4272 B13R1.729 CCCOCC(=O)CCCC1CO1 1458a_100000745993_100000733510 [0,0,0,1,0,0|2,1,0]=4 4273 B13R1.729 CCCOCC(=O)NCCC1CC1 1626a_100000764129_100000745993 [0,0,0,1,0,0|3,0,0]=4 4274 B13R1.729 CCCOCC(=O)NCCC1CC1 240690a_100000764129_100000745993 [0,0,0,1,0,0|3,0,0]=4 4275 B13R1.729 CCCOCC(=O)NCCC1CC1 527a_100000764129_100000745993 [0,0,0,1,0,0|3,0,0]=4 4276 B13R1.729 CCCSCC(=O)CCCC1CO1 1458a_100000217233_100000733510 [0,0,0,1,0,0|2,1,0]=4 4277 B13R1.729 CCCSCC(=O)NCCC1CC1 1626a_100000764129_100000217233 [0,0,0,1,0,0|3,0,0]=4 4278 B13R1.729 CCCSCC(=O)NCCC1CC1 240690a_100000764129_100000217233 [0,0,0,1,0,0|3,0,0]=4 4279 B13R1.729 CCCSCC(=O)NCCC1CC1 527a_100000764129_100000217233 [0,0,0,1,0,0|3,0,0]=4 4280 B13R1.729 CCOCCC(=O)CCCC1CO1 1458a_100000749530_100000733510 [0,0,0,1,0,0|2,1,0]=4 4281 B13R1.729 CCOCCC(=O)NCCC1CC1 1626a_100000764129_100000749530 [0,0,0,1,0,0|3,0,0]=4 4282 B13R1.729 CCOCCC(=O)NCCC1CC1 240690a_100000764129_100000749530 [0,0,0,1,0,0|3,0,0]=4 4283 B13R1.729 CCOCCC(=O)NCCC1CC1 527a_100000764129_100000749530 [0,0,0,1,0,0|3,0,0]=4 4284 B13R1.729 CCSCCC(=O)CCCC1CO1 1458a_100000230768_100000733510 [0,0,0,1,0,0|2,1,0]=4 4285 B13R1.729 CCSCCC(=O)NCCC1CC1 1626a_100000764129_100000230768 [0,0,0,1,0,0|3,0,0]=4 4286 B13R1.729 CCSCCC(=O)NCCC1CC1 240690a_100000764129_100000230768 [0,0,0,1,0,0|3,0,0]=4 4287 B13R1.729 CCSCCC(=O)NCCC1CC1 527a_100000764129_100000230768 [0,0,0,1,0,0|3,0,0]=4 4288 B13R1.729 COCCCC(=O)CCCC1CO1 1458a_100000741012_100000733510 [0,0,0,1,0,0|2,1,0]=4 4289 B13R1.729 COCCCC(=O)NCCC1CC1 1626a_100000764129_100000741012 [0,0,0,1,0,0|3,0,0]=4 4290 B13R1.729 COCCCC(=O)NCCC1CC1 240690a_100000764129_100000741012 [0,0,0,1,0,0|3,0,0]=4 4291 B13R1.729 COCCCC(=O)NCCC1CC1 527a_100000764129_100000741012 [0,0,0,1,0,0|3,0,0]=4 4292 B13R1.729 CSCCCC(=O)CCCC1CO1 1458a_100000173376_100000733510 [0,0,0,1,0,0|2,1,0]=4 4293 B13R1.729 CSCCCC(=O)NCCC1CC1 1626a_100000764129_100000173376 [0,0,0,1,0,0|3,0,0]=4 4294 B13R1.729 CSCCCC(=O)NCCC1CC1 240690a_100000764129_100000173376 [0,0,0,1,0,0|3,0,0]=4 4295 B13R1.729 CSCCCC(=O)NCCC1CC1 527a_100000764129_100000173376 [0,0,0,1,0,0|3,0,0]=4 4296 B13R1.729 O=C(CCCCO)CCCC1CO1 1458a_100000695505_100000733510 [0,0,0,1,0,0|2,1,0]=4 4297 B13R1.729 O=C(CCCCO)NCCC1CC1 1626a_100000764129_100000695505 [0,0,0,1,0,0|3,0,0]=4 4298 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210253_100011217769 [0,0,0,1,0,0|2,0,1]=4 4299 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210887_100000718602 [0,0,0,1,0,0|2,0,1]=4 4300 B13R1.1887 CCCCCOC1CCCCCC1 7a_100000210887_100000210326 [0,0,0,1,0,0|2,0,1]=4 4301 B13R1.1887 CNCCCOC1CCCCCC1 34a_100000213112_100011217769 [0,0,0,1,0,0|2,0,1]=4 4302 B13R1.1887 COCCCOC1CCCCCC1 34a_100000210887_100000740836 [0,0,0,1,0,0|1,1,1]=4 4303 B13R1.1887 COCCCOC1CCCCCC1 34a_100000740835_100011217769 [0,0,0,1,0,0|1,1,1]=4 4304 B13R1.1887 COCCCOC1CCCCCC1 7a_100000210887_100000740836 [0,0,0,1,0,0|1,1,1]=4 4305 B13R1.1887 CSCCCNC1CCCCCC1 270004a_100000749238_100000210131 [0,0,0,1,0,0|2,0,1]=4 4306 B13R1.1887 CSCCCOC1CCCCCC1 34a_100000690336_100011217769 [0,0,0,1,0,0|1,0,1]=3 4307 B13R1.2914 C#CCCCCC(=O)C1CC1CC 1458a_200011661523_100010269958 [0,0,0,1,0,0|2,0,1]=4 4308 B13R1.2914 C#CCCCNC(=O)C1CC1CC 11a_100000718082_200011661523 [0,0,0,1,0,0|2,0,1]=4 4309 B13R1.2914 C#CCCCNC(=O)C1CC1CC 1626a_100000718082_200011661523 [0,0,0,1,0,0|2,0,1]=4 4310 B13R1.2914 C#CCCCNC(=O)C1CC1CC 240690a_100000718082_200011661523 [0,0,0,1,0,0|2,0,1]=4 4311 B13R1.2914 C#CCCCNC(=O)C1CC1CC 527a_100000718082_200011661523 [0,0,0,1,0,0|2,0,1]=4 4312 B13R1.2914 C=CCCCCC(=O)C1CC1CC 1458a_200011661523_100011215482 [0,0,0,1,0,0|2,0,1]=4 4313 B13R1.2914 C=CCCCNC(=O)C1CC1CC 11a_100000700776_200011661523 [0,0,0,1,0,0|2,0,1]=4 4314 B13R1.2914 C=CCCCNC(=O)C1CC1CC 1626a_100000700776_200011661523 [0,0,0,1,0,0|2,0,1]=4 4315 B13R1.2914 C=CCCCNC(=O)C1CC1CC 240690a_100000700776_200011661523 [0,0,0,1,0,0|2,0,1]=4 4316 B13R1.2914 C=CCCCNC(=O)C1CC1CC 527a_100000700776_200011661523 [0,0,0,1,0,0|2,0,1]=4 4317 B13R1.2914 CCC1CC1C(=O)CCCCC#N 1458a_200011661523_100000211819 [0,0,0,1,0,0|3,0,0]=4 4318 B13R1.2914 CCC1CC1C(=O)CCCCCF 1458a_200011661523_100000729378 [0,0,0,1,0,0|3,0,0]=4 4319 B13R1.2914 CCC1CC1C(=O)CCCCCO 1458a_200011661523_100000746330 [0,0,0,1,0,0|3,0,0]=4 4320 B13R1.2914 CCC1CC1C(=O)CCCCOC 1458a_200011661523_100000755781 [0,0,0,1,0,0|1,1,0]=3 4321 B13R1.2914 CCC1CC1C(=O)NCCCCO 240690a_100000750430_200011661523 [0,0,0,1,0,0|3,0,0]=4 4322 B13R1.2914 CCC1CC1C(=O)NCCCCO 527a_100000750430_200011661523 [0,0,0,1,0,0|3,0,0]=4 4323 B13R1.2914 CCC1CC1C(=O)NCCCOC 1626a_100150723488_200011661523 [0,0,0,1,0,0|1,1,0]=3 4324 B13R1.2914 CCC1CC1C(=O)NCCCOC 240690a_100150723488_200011661523 [0,0,0,1,0,0|1,1,0]=3 4325 B13R1.2914 CCC1CC1C(=O)NCCCOC 527a_100150723488_200011661523 [0,0,0,1,0,0|1,1,0]=3 4326 B13R1.2914 CCC1CC1C(=O)NCCCSC 11a_100000749238_200011661523 [0,0,0,1,0,0|1,0,0]=2 4327 B13R1.2914 CCC1CC1C(=O)NCCCSC 1626a_100000749238_200011661523 [0,0,0,1,0,0|1,0,0]=2 4328 B13R1.2914 CCC1CC1C(=O)NCCCSC 240690a_100000749238_200011661523 [0,0,0,1,0,0|1,0,0]=2 4329 B13R1.2914 CCC1CC1C(=O)NCCCSC 527a_100000749238_200011661523 [0,0,0,1,0,0|1,0,0]=2 4330 B13R1.2914 CCC1CC1C(=O)NNCCOC 22a_100000741390_200011661523 [0,0,0,1,0,0|2,1,0]=4 4331 B13R1.2914 CCCCCCC(=O)C1CC1CC 1458a_200011661523_100000210757 [0,0,0,1,0,0|2,0,0]=3 4332 B13R1.2914 CCCCCNC(=O)C1CC1CC 11a_100000209983_200011661523 [0,0,0,1,0,0|2,0,0]=3 4333 B13R1.2914 CCCCCNC(=O)C1CC1CC 1626a_100000209983_200011661523 [0,0,0,1,0,0|2,0,0]=3 4334 B13R1.2914 CCCCCNC(=O)C1CC1CC 240690a_100000209983_200011661523 [0,0,0,1,0,0|2,0,0]=3 4335 B13R1.2914 CCCCCNC(=O)C1CC1CC 527a_100000209983_200011661523 [0,0,0,1,0,0|2,0,0]=3 4336 B13R1.2914 CCCCNNC(=O)C1CC1CC 22a_100025702795_200011661523 [0,0,0,1,0,0|3,0,0]=4 4337 B13R1.2914 CCCCOCC(=O)C1CC1CC 1458a_200011661523_100011995733 [0,0,0,1,0,0|3,0,0]=4 4338 B13R1.2914 CCCOCCC(=O)C1CC1CC 1458a_200011661523_100011215938 [0,0,0,1,0,0|3,0,0]=4 4339 B13R1.2914 CCOCCCC(=O)C1CC1CC 1458a_200011661523_100012232248 [0,0,0,1,0,0|3,0,0]=4 4340 B13R1.2914 CCOCCNC(=O)C1CC1CC 11a_100011200944_200011661523 [0,0,0,1,0,0|3,0,0]=4 4341 B13R1.2914 CCOCCNC(=O)C1CC1CC 1626a_102516460346_200011661523 [0,0,0,1,0,0|3,0,0]=4 4342 B13R1.2914 CCOCCNC(=O)C1CC1CC 240690a_100011200944_200011661523 [0,0,0,1,0,0|3,0,0]=4 4343 B13R1.2914 CCOCCNC(=O)C1CC1CC 527a_100011200944_200011661523 [0,0,0,1,0,0|3,0,0]=4 4344 B13R1.2914 CCSCCNC(=O)C1CC1CC 11a_100000106463_200011661523 [0,0,0,1,0,0|3,0,0]=4 4345 B13R1.2914 CCSCCNC(=O)C1CC1CC 1626a_100000106463_200011661523 [0,0,0,1,0,0|3,0,0]=4 4346 B13R1.2914 CCSCCNC(=O)C1CC1CC 240690a_100000106463_200011661523 [0,0,0,1,0,0|3,0,0]=4 4347 B13R1.2914 CCSCCNC(=O)C1CC1CC 527a_100000106463_200011661523 [0,0,0,1,0,0|3,0,0]=4 4348 B13R1.2914 CSCCCNC(=O)[C@@H]1C[C@H]1C#N 11a_100000749238_100015294237 [0,0,0,1,0,0|2,0,1]=4 4349 B13R1.2914 CSCCCNC(=O)[C@@H]1C[C@H]1C#N 1626a_100000749238_100015294237 [0,0,0,1,0,0|2,0,1]=4 4350 B13R1.2914 CSCCCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100000749238_100015294237 [0,0,0,1,0,0|2,0,1]=4 4351 B13R1.2915 CSCCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100000749238_100015190264 [0,0,0,1,0,0|3,0,0]=4 4352 B13R1.2915 CSCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000749238_100015190264 [0,0,0,1,0,0|3,0,0]=4 4353 B13R1.2915 CSCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000749238 [0,0,0,1,0,0|3,0,0]=4 4354 B13R1.2915 CSCCCNC(=O)N[C@@H]1C[C@@H]1F 512a_100000749238_100015190264 [0,0,0,1,0,0|3,0,0]=4 4355 B13R1.2915 CSCCCNC(=O)N[C@@H]1C[C@H]1F 2708a_100000749238_100025746932 [0,0,0,1,0,0|3,0,0]=4 4356 B13R1.2915 CSCCCNC(=O)N[C@@H]1C[C@H]1F 273464a_100000749238_100025746932 [0,0,0,1,0,0|3,0,0]=4 4357 B13R1.2915 CSCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100000749238_100025746932 [0,0,0,1,0,0|3,0,0]=4 4358 B13R1.2915 CSCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000749238 [0,0,0,1,0,0|3,0,0]=4 4359 B13R1.2916 C#CCCCCC(=O)CC1CCC1 1458a_100000696528_100000763275 [0,0,0,1,0,0|2,0,1]=4 4360 B13R1.2916 C#CCCCCC(=O)CC1CCC1 1458a_100000763092_100010269958 [0,0,0,1,0,0|2,0,1]=4 4361 B13R1.2916 C#CCCCNC(=O)CC1CCC1 11a_100000718082_100000763092 [0,0,0,1,0,0|2,0,1]=4 4362 B13R1.2916 C#CCCCNC(=O)CC1CCC1 1626a_100000718082_100000763092 [0,0,0,1,0,0|2,0,1]=4 4363 B13R1.2916 C#CCCCNC(=O)CC1CCC1 240690a_100000718082_100000763092 [0,0,0,1,0,0|2,0,1]=4 4364 B13R1.2916 C#CCCCNC(=O)CC1CCC1 527a_100000718082_100000763092 [0,0,0,1,0,0|2,0,1]=4 4365 B13R1.2916 C=CCCCCC(=O)CC1CCC1 1458a_100000763092_100011215482 [0,0,0,1,0,0|2,0,1]=4 4366 B13R1.2916 C=CCCCCC(=O)CC1CCC1 1458a_100011215552_100000763275 [0,0,0,1,0,0|2,0,1]=4 4367 B13R1.2916 C=CCCCNC(=O)CC1CCC1 11a_100000700776_100000763092 [0,0,0,1,0,0|2,0,1]=4 4368 B13R1.2916 C=CCCCNC(=O)CC1CCC1 1626a_100000700776_100000763092 [0,0,0,1,0,0|2,0,1]=4 4369 B13R1.2916 C=CCCCNC(=O)CC1CCC1 240690a_100000700776_100000763092 [0,0,0,1,0,0|2,0,1]=4 4370 B13R1.2916 C=CCCCNC(=O)CC1CCC1 527a_100000700776_100000763092 [0,0,0,1,0,0|2,0,1]=4 4371 B13R1.2916 CCCCC=CC(=O)CC1CCC1 1458a_100016266645_100000763275 [0,0,0,1,0,0|2,0,1]=4 4372 B13R1.2916 CCCCCCC(=O)CC1CCC1 1458a_100000763092_100000210757 [0,0,0,1,0,0|2,0,0]=3 4373 B13R1.2916 CCCCCCC(=O)CC1CCC1 1458a_100102632555_100000763275 [0,0,0,1,0,0|2,0,0]=3 4374 B13R1.2916 CCCCCCC(=O)CC1CCO1 1458a_100102632555_100000103362 [0,0,0,1,0,0|3,0,0]=4 4375 B13R1.2916 CCCCCCC(=O)CC1COC1 1458a_100000687760_100000210757 [0,0,0,1,0,0|3,0,0]=4 4376 B13R1.2916 CCCCCCC(=O)CC1COC1 1458a_100102632555_100010264016 [0,0,0,1,0,0|3,0,0]=4 4377 B13R1.2916 CCCCCCC(=O)NC1CCC1 11a_100000749019_100102632555 [0,0,0,1,0,0|3,0,0]=4 4378 B13R1.2916 CCCCCCC(=O)NC1CCC1 1626a_100000749019_100102632555 [0,0,0,1,0,0|3,0,0]=4 4379 B13R1.2916 CCCCCCC(=O)NC1CCC1 240690a_100000749019_100102632555 [0,0,0,1,0,0|3,0,0]=4 4380 B13R1.2916 CCCCCCC(=O)NC1CCC1 527a_100000749019_100102632555 [0,0,0,1,0,0|3,0,0]=4 4381 B13R1.2916 CCCCCNC(=O)CC1CCC1 11a_100000209983_100000763092 [0,0,0,1,0,0|2,0,0]=3 4382 B13R1.2916 CCCCCNC(=O)CC1CCC1 1626a_100000209983_100000763092 [0,0,0,1,0,0|2,0,0]=3 4383 B13R1.2916 CCCCCNC(=O)CC1CCC1 240690a_100000209983_100000763092 [0,0,0,1,0,0|2,0,0]=3 4384 B13R1.2916 CCCCCNC(=O)CC1CCC1 527a_100000209983_100000763092 [0,0,0,1,0,0|2,0,0]=3 4385 B13R1.2916 CCCCCNC(=O)CC1COC1 11a_100000209983_100000687760 [0,0,0,1,0,0|3,0,0]=4 4386 B13R1.2916 CCCCCNC(=O)CC1COC1 1626a_100000209983_100000687760 [0,0,0,1,0,0|3,0,0]=4 4387 B13R1.2916 CCCCCNC(=O)CN1CCC1 269982a_100000754969_100000230301 [0,0,0,1,0,0|3,0,0]=4 4388 B13R1.2916 CCCCCNC(=O)NC1CCC1 2708a_100000209983_100000749019 [0,0,0,1,0,0|3,0,0]=4 4389 B13R1.2916 CCCCCNC(=O)NC1CCC1 273464a_100000209983_100000749019 [0,0,0,1,0,0|3,0,0]=4 4390 B13R1.2916 CCCCCNC(=O)NC1CCC1 273464a_100000749019_100000209983 [0,0,0,1,0,0|3,0,0]=4 4391 B13R1.2916 CCCCCNC(=O)NC1CCC1 512a_100000209983_100000749019 [0,0,0,1,0,0|3,0,0]=4 4392 B13R1.2916 CCCCCNC(=O)NC1CCC1 512a_100000749019_100000209983 [0,0,0,1,0,0|3,0,0]=4 4393 B13R1.2916 CCCCNNC(=O)CC1CCC1 22a_100025702795_100000763092 [0,0,0,1,0,0|3,0,0]=4 4394 B13R1.2916 CCCCOCC(=O)CC1CCC1 1458a_100000757543_100000763275 [0,0,0,1,0,0|3,0,0]=4 4395 B13R1.2916 CCCCOCC(=O)CC1CCC1 1458a_100000763092_100011995733 [0,0,0,1,0,0|3,0,0]=4 4396 B13R1.2916 CCCCSCC(=O)CC1CCC1 1458a_100000191162_100000763275 [0,0,0,1,0,0|3,0,0]=4 4397 B13R1.2916 CCCOCCC(=O)CC1CCC1 1458a_100000763092_100011215938 [0,0,0,1,0,0|3,0,0]=4 4398 B13R1.2916 CCOCCCC(=O)CC1CCC1 1458a_100000763092_100012232248 [0,0,0,1,0,0|3,0,0]=4 4399 B13R1.2916 CCOCCNC(=O)CC1CCC1 11a_100011200944_100000763092 [0,0,0,1,0,0|3,0,0]=4 4400 B13R1.2916 CCOCCNC(=O)CC1CCC1 1626a_102516460346_100000763092 [0,0,0,1,0,0|3,0,0]=4 4401 B13R1.2916 CCOCCNC(=O)CC1CCC1 240690a_100011200944_100000763092 [0,0,0,1,0,0|3,0,0]=4 4402 B13R1.2916 CCOCCNC(=O)CC1CCC1 527a_100011200944_100000763092 [0,0,0,1,0,0|3,0,0]=4 4403 B13R1.2916 CCOCCOC(=O)CN1CCC1 269982a_100000754969_200000101388 [0,0,0,1,0,0|3,0,0]=4 4404 B13R1.2916 CCSCCNC(=O)CC1CCC1 11a_100000106463_100000763092 [0,0,0,1,0,0|3,0,0]=4 4405 B13R1.2916 CCSCCNC(=O)CC1CCC1 1626a_100000106463_100000763092 [0,0,0,1,0,0|3,0,0]=4 4406 B13R1.2916 CCSCCNC(=O)CC1CCC1 240690a_100000106463_100000763092 [0,0,0,1,0,0|3,0,0]=4 4407 B13R1.2916 CCSCCNC(=O)CC1CCC1 527a_100000106463_100000763092 [0,0,0,1,0,0|3,0,0]=4 4408 B13R1.2916 COCCCCC(=O)CC1CCC1 1458a_100000763092_100000755781 [0,0,0,1,0,0|1,1,0]=3 4409 B13R1.2916 COCCCCC(=O)CC1COC1 1458a_100000687760_100000755781 [0,0,0,1,0,0|2,1,0]=4 4410 B13R1.2916 COCCCNC(=O)CC1CCC1 1626a_100150723488_100000763092 [0,0,0,1,0,0|1,1,0]=3 4411 B13R1.2916 COCCCNC(=O)CC1CCC1 240690a_100150723488_100000763092 [0,0,0,1,0,0|1,1,0]=3 4412 B13R1.2916 COCCCNC(=O)CC1CCC1 527a_100150723488_100000763092 [0,0,0,1,0,0|1,1,0]=3 4413 B13R1.2916 COCCCNC(=O)CC1COC1 1626a_100150723488_100000687760 [0,0,0,1,0,0|2,1,0]=4 4414 B13R1.2916 COCCCNC(=O)CN1CCC1 269982a_100000754969_100000183178 [0,0,0,1,0,0|2,1,0]=4 4415 B13R1.2916 COCCCNC(=O)NC1CCC1 2708a_100150723488_100000749019 [0,0,0,1,0,0|2,1,0]=4 4416 B13R1.2916 COCCCNC(=O)NC1CCC1 273464a_100000749019_100150723488 [0,0,0,1,0,0|2,1,0]=4 4417 B13R1.2916 COCCCNC(=O)NC1CCC1 273464a_100150723488_100000749019 [0,0,0,1,0,0|2,1,0]=4 4418 B13R1.2916 COCCCNC(=O)NC1CCC1 512a_100000749019_100150723488 [0,0,0,1,0,0|2,1,0]=4 4419 B13R1.2916 COCCNNC(=O)CC1CCC1 22a_100000741390_100000763092 [0,0,0,1,0,0|2,1,0]=4 4420 B13R1.2916 COCCOCC(=O)CC1CCC1 1458a_100000211095_100000763275 [0,0,0,1,0,0|2,1,0]=4 4421 B13R1.2916 CSCCCNC(=O)C=C1CCC1 11a_100000749238_100000686340 [0,0,0,1,0,0|1,0,2]=4 4422 B13R1.2916 CSCCCNC(=O)C=C1CCC1 240690a_100000749238_100000686340 [0,0,0,1,0,0|1,0,2]=4 4423 B13R1.2916 CSCCCNC(=O)CC1CCC1 11a_100000749238_100000763092 [0,0,0,1,0,0|1,0,0]=2 4424 B13R1.2916 CSCCCNC(=O)CC1CCC1 1626a_100000749238_100000763092 [0,0,0,1,0,0|1,0,0]=2 4425 B13R1.2916 CSCCCNC(=O)CC1CCC1 240690a_100000749238_100000763092 [0,0,0,1,0,0|1,0,0]=2 4426 B13R1.2916 CSCCCNC(=O)CC1CCC1 527a_100000749238_100000763092 [0,0,0,1,0,0|1,0,0]=2 4427 B13R1.2916 CSCCCNC(=O)CC1COC1 11a_100000749238_100000687760 [0,0,0,1,0,0|2,0,0]=3 4428 B13R1.2916 CSCCCNC(=O)CC1COC1 1626a_100000749238_100000687760 [0,0,0,1,0,0|2,0,0]=3 4429 B13R1.2916 CSCCCNC(=O)NC1CCC1 2708a_100000749238_100000749019 [0,0,0,1,0,0|2,0,0]=3 4430 B13R1.2916 CSCCCNC(=O)NC1CCC1 273464a_100000749019_100000749238 [0,0,0,1,0,0|2,0,0]=3 4431 B13R1.2916 CSCCCNC(=O)NC1CCC1 273464a_100000749238_100000749019 [0,0,0,1,0,0|2,0,0]=3 4432 B13R1.2916 CSCCCNC(=O)NC1CCC1 512a_100000749019_100000749238 [0,0,0,1,0,0|2,0,0]=3 4433 B13R1.2916 CSCCCNC(=O)NC1CCC1 512a_100000749238_100000749019 [0,0,0,1,0,0|2,0,0]=3 4434 B13R1.2916 CSCCCNC(=O)NC1COC1 2708a_100000749238_100016991112 [0,0,0,1,0,0|3,0,0]=4 4435 B13R1.2916 CSCCCNC(=O)NC1COC1 2708a_100016991112_100000749238 [0,0,0,1,0,0|3,0,0]=4 4436 B13R1.2916 CSCCCNC(=O)NC1COC1 273464a_100000749238_100016991112 [0,0,0,1,0,0|3,0,0]=4 4437 B13R1.2916 CSCCCNC(=O)NC1COC1 273464a_100016991112_100000749238 [0,0,0,1,0,0|3,0,0]=4 4438 B13R1.2916 CSCCCNC(=O)NC1COC1 512a_100000749238_100016991112 [0,0,0,1,0,0|3,0,0]=4 4439 B13R1.2916 CSCCCNC(=O)NC1COC1 512a_100016991112_100000749238 [0,0,0,1,0,0|3,0,0]=4 4440 B13R1.2916 CSCCCNC(=O)NC1CSC1 2708a_100000749238_100016994217 [0,0,0,1,0,0|3,0,0]=4 4441 B13R1.2916 CSCCCNC(=O)NC1CSC1 2708a_100016994217_100000749238 [0,0,0,1,0,0|3,0,0]=4 4442 B13R1.2916 CSCCCNC(=O)NC1CSC1 273464a_100000749238_100016994217 [0,0,0,1,0,0|3,0,0]=4 4443 B13R1.2916 CSCCCNC(=O)NC1CSC1 273464a_100016994217_100000749238 [0,0,0,1,0,0|3,0,0]=4 4444 B13R1.2916 CSCCCNC(=O)NC1CSC1 512a_100000749238_100016994217 [0,0,0,1,0,0|3,0,0]=4 4445 B13R1.2916 CSCCCNC(=O)NC1CSC1 512a_100016994217_100000749238 [0,0,0,1,0,0|3,0,0]=4 4446 B13R1.2916 N#CCCCCC(=O)CC1CCC1 1458a_100000763092_100000211819 [0,0,0,1,0,0|3,0,0]=4 4447 B13R1.2916 O=C(CC1CCC1)NCCCCO 240690a_100000750430_100000763092 [0,0,0,1,0,0|3,0,0]=4 4448 B13R1.2916 O=C(CC1CCC1)NCCCCO 527a_100000750430_100000763092 [0,0,0,1,0,0|3,0,0]=4 4449 B13R1.2916 O=C(CCCCCF)CC1CCC1 1458a_100000763092_100000729378 [0,0,0,1,0,0|3,0,0]=4 4450 B13R1.2916 O=C(CCCCCO)CC1CCC1 1458a_100000763092_100000746330 [0,0,0,1,0,0|3,0,0]=4 4451 B13R1.2916 O=C(CCCCCO)CC1CCC1 1458a_100102619762_100000763275 [0,0,0,1,0,0|3,0,0]=4 4452 B13R1.2917 C#CCCCCC(=O)CCC1CC1 1458a_100000696528_100000694398 [0,0,0,1,0,0|2,0,1]=4 4453 B13R1.2917 C#CCCCCC(=O)CCC1CC1 1458a_100000756386_100010269958 [0,0,0,1,0,0|2,0,1]=4 4454 B13R1.2917 C#CCCCNC(=O)CCC1CC1 11a_100000718082_100000756386 [0,0,0,1,0,0|2,0,1]=4 4455 B13R1.2917 C#CCCCNC(=O)CCC1CC1 1626a_100000718082_100000756386 [0,0,0,1,0,0|2,0,1]=4 4456 B13R1.2917 C#CCCCNC(=O)CCC1CC1 240690a_100000718082_100000756386 [0,0,0,1,0,0|2,0,1]=4 4457 B13R1.2917 C#CCCCNC(=O)CCC1CC1 527a_100000718082_100000756386 [0,0,0,1,0,0|2,0,1]=4 4458 B13R1.2917 C=CCCCCC(=O)CCC1CC1 1458a_100000756386_100011215482 [0,0,0,1,0,0|2,0,1]=4 4459 B13R1.2917 C=CCCCCC(=O)CCC1CC1 1458a_100011215552_100000694398 [0,0,0,1,0,0|2,0,1]=4 4460 B13R1.2917 C=CCCCNC(=O)CCC1CC1 11a_100000700776_100000756386 [0,0,0,1,0,0|2,0,1]=4 4461 B13R1.2917 C=CCCCNC(=O)CCC1CC1 1626a_100000700776_100000756386 [0,0,0,1,0,0|2,0,1]=4 4462 B13R1.2917 C=CCCCNC(=O)CCC1CC1 240690a_100000700776_100000756386 [0,0,0,1,0,0|2,0,1]=4 4463 B13R1.2917 C=CCCCNC(=O)CCC1CC1 527a_100000700776_100000756386 [0,0,0,1,0,0|2,0,1]=4 4464 B13R1.2917 CCCCC=CC(=O)CCC1CC1 1458a_100016266645_100000694398 [0,0,0,1,0,0|2,0,1]=4 4465 B13R1.2917 CCCCCCC(=O)CCC1CC1 1458a_100000756386_100000210757 [0,0,0,1,0,0|2,0,0]=3 4466 B13R1.2917 CCCCCCC(=O)CCC1CC1 1458a_100102632555_100000694398 [0,0,0,1,0,0|2,0,0]=3 4467 B13R1.2917 CCCCCCC(=O)CCC1CO1 1458a_100102632555_100000732470 [0,0,0,1,0,0|3,0,0]=4 4468 B13R1.2917 CCCCCCC(=O)NCC1CC1 11a_100000735609_100102632555 [0,0,0,1,0,0|3,0,0]=4 4469 B13R1.2917 CCCCCCC(=O)NCC1CC1 1626a_100000735609_100102632555 [0,0,0,1,0,0|3,0,0]=4 4470 B13R1.2917 CCCCCCC(=O)NCC1CC1 240690a_100000735609_100102632555 [0,0,0,1,0,0|3,0,0]=4 4471 B13R1.2917 CCCCCCC(=O)NCC1CC1 527a_100000735609_100102632555 [0,0,0,1,0,0|3,0,0]=4 4472 B13R1.2917 CCCCCNC(=O)CCC1CC1 11a_100000209983_100000756386 [0,0,0,1,0,0|2,0,0]=3 4473 B13R1.2917 CCCCCNC(=O)CCC1CC1 1626a_100000209983_100000756386 [0,0,0,1,0,0|2,0,0]=3 4474 B13R1.2917 CCCCCNC(=O)CCC1CC1 240690a_100000209983_100000756386 [0,0,0,1,0,0|2,0,0]=3 4475 B13R1.2917 CCCCCNC(=O)CCC1CC1 527a_100000209983_100000756386 [0,0,0,1,0,0|2,0,0]=3 4476 B13R1.2917 CCCCCNC(=O)CNC1CC1 34a_100000212008_100000230301 [0,0,0,1,0,0|3,0,0]=4 4477 B13R1.2917 CCCCCNC(=O)CSC1CC1 62a_100000230301_100000211595 [0,0,0,1,0,0|3,0,0]=4 4478 B13R1.2917 CCCCCNC(=O)NCC1CC1 2708a_100000209983_100000735609 [0,0,0,1,0,0|3,0,0]=4 4479 B13R1.2917 CCCCCNC(=O)NCC1CC1 2708a_100000735609_100000209983 [0,0,0,1,0,0|3,0,0]=4 4480 B13R1.2917 CCCCCNC(=O)NCC1CC1 273464a_100000209983_100000735609 [0,0,0,1,0,0|3,0,0]=4 4481 B13R1.2917 CCCCCNC(=O)NCC1CC1 273464a_100000735609_100000209983 [0,0,0,1,0,0|3,0,0]=4 4482 B13R1.2917 CCCCCNC(=O)NCC1CC1 512a_100000209983_100000735609 [0,0,0,1,0,0|3,0,0]=4 4483 B13R1.2917 CCCCCNC(=O)NCC1CC1 512a_100000735609_100000209983 [0,0,0,1,0,0|3,0,0]=4 4484 B13R1.2917 CCCCNNC(=O)CCC1CC1 22a_100025702795_100000756386 [0,0,0,1,0,0|3,0,0]=4 4485 B13R1.2917 CCCCOCC(=O)CCC1CC1 1458a_100000756386_100011995733 [0,0,0,1,0,0|3,0,0]=4 4486 B13R1.2917 CCCCOCC(=O)CCC1CC1 1458a_100000757543_100000694398 [0,0,0,1,0,0|3,0,0]=4 4487 B13R1.2917 CCCCSCC(=O)CCC1CC1 1458a_100000191162_100000694398 [0,0,0,1,0,0|3,0,0]=4 4488 B13R1.2917 CCCOCCC(=O)CCC1CC1 1458a_100000756386_100011215938 [0,0,0,1,0,0|3,0,0]=4 4489 B13R1.2917 CCOCCCC(=O)CCC1CC1 1458a_100000756386_100012232248 [0,0,0,1,0,0|3,0,0]=4 4490 B13R1.2917 CCOCCNC(=O)CCC1CC1 11a_100011200944_100000756386 [0,0,0,1,0,0|3,0,0]=4 4491 B13R1.2917 CCOCCNC(=O)CCC1CC1 1626a_102516460346_100000756386 [0,0,0,1,0,0|3,0,0]=4 4492 B13R1.2917 CCOCCNC(=O)CCC1CC1 240690a_100011200944_100000756386 [0,0,0,1,0,0|3,0,0]=4 4493 B13R1.2917 CCOCCNC(=O)CCC1CC1 527a_100011200944_100000756386 [0,0,0,1,0,0|3,0,0]=4 4494 B13R1.2917 CCOCCOC(=O)CNC1CC1 34a_100000212008_200000101388 [0,0,0,1,0,0|3,0,0]=4 4495 B13R1.2917 CCOCCOC(=O)CSC1CC1 62a_200000101388_100000211595 [0,0,0,1,0,0|3,0,0]=4 4496 B13R1.2917 CCSCCNC(=O)CCC1CC1 11a_100000106463_100000756386 [0,0,0,1,0,0|3,0,0]=4 4497 B13R1.2917 CCSCCNC(=O)CCC1CC1 1626a_100000106463_100000756386 [0,0,0,1,0,0|3,0,0]=4 4498 B13R1.2917 CCSCCNC(=O)CCC1CC1 240690a_100000106463_100000756386 [0,0,0,1,0,0|3,0,0]=4 4499 B13R1.2917 CCSCCNC(=O)CCC1CC1 527a_100000106463_100000756386 [0,0,0,1,0,0|3,0,0]=4 4500 B13R1.2917 COCCCCC(=O)CCC1CC1 1458a_100000756386_100000755781 [0,0,0,1,0,0|1,1,0]=3 4501 B13R1.2917 COCCCNC(=O)CCC1CC1 1626a_100150723488_100000756386 [0,0,0,1,0,0|1,1,0]=3 4502 B13R1.2917 COCCCNC(=O)CCC1CC1 240690a_100150723488_100000756386 [0,0,0,1,0,0|1,1,0]=3 4503 B13R1.2917 COCCCNC(=O)CCC1CC1 527a_100150723488_100000756386 [0,0,0,1,0,0|1,1,0]=3 4504 B13R1.2917 COCCCNC(=O)CNC1CC1 34a_100000212008_100000183178 [0,0,0,1,0,0|2,1,0]=4 4505 B13R1.2917 COCCCNC(=O)CSC1CC1 62a_100000183178_100000211595 [0,0,0,1,0,0|2,1,0]=4 4506 B13R1.2917 COCCCNC(=O)NCC1CC1 2708a_100000735609_100150723488 [0,0,0,1,0,0|2,1,0]=4 4507 B13R1.2917 COCCCNC(=O)NCC1CC1 2708a_100150723488_100000735609 [0,0,0,1,0,0|2,1,0]=4 4508 B13R1.2917 COCCCNC(=O)NCC1CC1 273464a_100000735609_100150723488 [0,0,0,1,0,0|2,1,0]=4 4509 B13R1.2917 COCCCNC(=O)NCC1CC1 273464a_100150723488_100000735609 [0,0,0,1,0,0|2,1,0]=4 4510 B13R1.2917 COCCCNC(=O)NCC1CC1 512a_100000735609_100150723488 [0,0,0,1,0,0|2,1,0]=4 4511 B13R1.2917 COCCNNC(=O)CCC1CC1 22a_100000741390_100000756386 [0,0,0,1,0,0|2,1,0]=4 4512 B13R1.2917 COCCOCC(=O)CCC1CC1 1458a_100000211095_100000694398 [0,0,0,1,0,0|2,1,0]=4 4513 B13R1.2917 CSCCCNC(=O)C=CC1CC1 11a_100000749238_100102529529 [0,0,0,1,0,0|1,0,2]=4 4514 B13R1.2917 CSCCCNC(=O)C=CC1CC1 1626a_100000749238_100102529529 [0,0,0,1,0,0|1,0,2]=4 4515 B13R1.2917 CSCCCNC(=O)C=CC1CC1 240690a_100000749238_100102529529 [0,0,0,1,0,0|1,0,2]=4 4516 B13R1.2917 CSCCCNC(=O)CCC1CC1 11a_100000749238_100000756386 [0,0,0,1,0,0|1,0,0]=2 4517 B13R1.2917 CSCCCNC(=O)CCC1CC1 1626a_100000749238_100000756386 [0,0,0,1,0,0|1,0,0]=2 4518 B13R1.2917 CSCCCNC(=O)CCC1CC1 240690a_100000749238_100000756386 [0,0,0,1,0,0|1,0,0]=2 4519 B13R1.2917 CSCCCNC(=O)CCC1CC1 527a_100000749238_100000756386 [0,0,0,1,0,0|1,0,0]=2 4520 B13R1.2917 CSCCCNC(=O)NCC1CC1 2708a_100000735609_100000749238 [0,0,0,1,0,0|2,0,0]=3 4521 B13R1.2917 CSCCCNC(=O)NCC1CC1 2708a_100000749238_100000735609 [0,0,0,1,0,0|2,0,0]=3 4522 B13R1.2917 CSCCCNC(=O)NCC1CC1 273464a_100000735609_100000749238 [0,0,0,1,0,0|2,0,0]=3 4523 B13R1.2917 CSCCCNC(=O)NCC1CC1 273464a_100000749238_100000735609 [0,0,0,1,0,0|2,0,0]=3 4524 B13R1.2917 CSCCCNC(=O)NCC1CC1 512a_100000735609_100000749238 [0,0,0,1,0,0|2,0,0]=3 4525 B13R1.2917 CSCCCNC(=O)NCC1CC1 512a_100000749238_100000735609 [0,0,0,1,0,0|2,0,0]=3 4526 B13R1.2917 CSCCCNC(=O)NNC1CC1 273464a_100000749238_100000701032 [0,0,0,1,0,0|3,0,0]=4 4527 B13R1.2917 CSCCCNC(=O)NNC1CC1 512a_100000701032_100000749238 [0,0,0,1,0,0|3,0,0]=4 4528 B13R1.2917 CSCCCNC(=O)NNC1CC1 512a_100000749238_100000701032 [0,0,0,1,0,0|3,0,0]=4 4529 B13R1.2917 N#CCCCCC(=O)CCC1CC1 1458a_100000756386_100000211819 [0,0,0,1,0,0|3,0,0]=4 4530 B13R1.2917 O=C(CCC1CC1)NCCCCO 240690a_100000750430_100000756386 [0,0,0,1,0,0|3,0,0]=4 4531 B13R1.2917 O=C(CCC1CC1)NCCCCO 527a_100000750430_100000756386 [0,0,0,1,0,0|3,0,0]=4 4532 B13R1.2917 O=C(CCCCCF)CCC1CC1 1458a_100000756386_100000729378 [0,0,0,1,0,0|3,0,0]=4 4533 B13R1.2917 O=C(CCCCCO)CCC1CC1 1458a_100000756386_100000746330 [0,0,0,1,0,0|3,0,0]=4 4534 B13R1.2917 O=C(CCCCCO)CCC1CC1 1458a_100102619762_100000694398 [0,0,0,1,0,0|3,0,0]=4 4535 B13R1.2918 CCCCCCC(=O)N1CCC1C 11a_100000755817_100102632555 [0,0,0,1,0,0|3,0,0]=4 4536 B13R1.2918 CCCCCCC(=O)N1CCC1C 240690a_100000755817_100102632555 [0,0,0,1,0,0|3,0,0]=4 4537 B13R1.2918 CCCCCCC(=O)N1CCC1C 527a_100000755817_100102632555 [0,0,0,1,0,0|3,0,0]=4 4538 B13R1.2918 CCCCCNC(=O)N1CCC1C 2708a_100000209983_100000755817 [0,0,0,1,0,0|3,0,0]=4 4539 B13R1.2918 CCCCCNC(=O)N1CCC1C 273464a_100000209983_100000755817 [0,0,0,1,0,0|3,0,0]=4 4540 B13R1.2918 COCCCNC(=O)N1CCC1C 2708a_100150723488_100000755817 [0,0,0,1,0,0|2,1,0]=4 4541 B13R1.2918 COCCCNC(=O)N1CCC1C 273464a_100150723488_100000755817 [0,0,0,1,0,0|2,1,0]=4 4542 B13R1.2918 CSCCCNC(=O)N1CCC1C 2708a_100000749238_100000755817 [0,0,0,1,0,0|2,0,0]=3 4543 B13R1.2918 CSCCCNC(=O)N1CCC1C 273464a_100000749238_100000755817 [0,0,0,1,0,0|2,0,0]=3 4544 B13R1.3537 CCCCCC(C)OCC1CC1C 34a_100000744939_200011218191 [0,0,0,1,0,0|2,0,1]=4 4545 B13R1.3537 CCCCCC(C)OCC1CC1C 7a_100000744939_200011218191 [0,0,0,1,0,0|2,0,1]=4 4546 B13R1.3538 CCCCCC(=O)CN1CCC1C 269982a_100000755817_200012276598 [0,0,0,1,0,0|3,0,0]=4 4547 B13R1.3538 CCCCCC(=O)CN1CCC1C 34a_100000755817_200012276598 [0,0,0,1,0,0|3,0,0]=4 4548 B13R1.3674 CCCCCOC1(CCCCC1)C 34a_100011215885_100000718602 [0,0,0,1,0,0|2,0,1]=4 4549 B13R1.3674 CCCCCOC1(CCCCC1)C 7a_100011215885_100000210326 [0,0,0,1,0,0|2,0,1]=4 4550 B13R1.3674 COCCCOC1(CCCCC1)C 34a_100011215885_100000740836 [0,0,0,1,0,0|1,1,1]=4 4551 B13R1.3674 COCCCOC1(CCCCC1)C 7a_100011215885_100000740836 [0,0,0,1,0,0|1,1,1]=4 4552 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [2,0,0,0,0,0|1,0,1]=4 4553 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [2,0,0,0,0,0|1,0,1]=4 4554 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [2,0,0,0,0,0|1,0,1]=4 4555 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [2,0,0,0,0,0|1,0,1]=4 4556 B10R0.71 C#CCCCOCCCSC 34a_100000690336_100000695029 [2,0,0,0,0,0|0,0,2]=4 4557 B10R0.71 C#CCCCOCCCSC 7a_100000690336_100011215417 [2,0,0,0,0,0|0,0,2]=4 4558 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [2,0,0,0,0,0|1,0,1]=4 4559 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 4560 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [2,0,0,0,0,0|1,0,1]=4 4561 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 4562 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [2,0,0,0,0,0|1,0,1]=4 4563 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [2,0,0,0,0,0|0,0,2]=4 4564 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [2,0,0,0,0,0|0,0,2]=4 4565 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [2,0,0,0,0,0|1,0,1]=4 4566 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [2,0,0,0,0,0|0,0,2]=4 4567 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [2,0,0,0,0,0|0,0,2]=4 4568 B10R0.71 CCC#CCOCCCSC 34a_100000690336_100009813939 [2,0,0,0,0,0|0,0,2]=4 4569 B10R0.71 CCC#CCOCCCSC 7a_100000690336_100009813939 [2,0,0,0,0,0|0,0,2]=4 4570 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [2,0,0,0,0,0|2,0,0]=4 4571 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [2,0,0,0,0,0|2,0,0]=4 4572 B10R0.71 CCCC/C=C/COCSC 34a_200016272032_100011218213 [2,0,0,0,0,0|1,0,1]=4 4573 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [2,0,0,0,0,0|2,0,0]=4 4574 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [2,0,0,0,0,0|2,0,0]=4 4575 B10R0.71 CCCCC#CCCCSC 62a_200000047210_200000210301 [2,0,0,0,0,0|0,0,2]=4 4576 B10R0.71 CCCCC#CCCCSC 62a_200000210301_200000047210 [2,0,0,0,0,0|0,0,2]=4 4577 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200000047210_200025704644 [2,0,0,0,0,0|0,0,2]=4 4578 B10R0.71 CCCCC#CCCCS[13CH3] 62a_200025704644_200000047210 [2,0,0,0,0,0|0,0,2]=4 4579 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [2,0,0,0,0,0|2,0,0]=4 4580 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [2,0,0,0,0,0|2,0,0]=4 4581 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [2,0,0,0,0,0|0,1,1]=4 4582 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [2,0,0,0,0,0|0,1,1]=4 4583 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [2,0,0,0,0,0|0,1,1]=4 4584 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [2,0,0,0,0,0|0,1,1]=4 4585 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [2,0,0,0,0,0|2,0,0]=4 4586 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [2,0,0,0,0,0|1,0,1]=4 4587 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [2,0,0,0,0,0|1,0,1]=4 4588 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [2,0,0,0,0,0|1,0,1]=4 4589 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [2,0,0,0,0,0|1,0,1]=4 4590 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [2,0,0,0,0,0|1,0,1]=4 4591 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [2,0,0,0,0,0|1,0,1]=4 4592 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [2,0,0,0,0,0|1,0,1]=4 4593 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [2,0,0,0,0,0|0,1,1]=4 4594 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [2,0,0,0,0,0|0,1,1]=4 4595 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [2,0,0,0,0,0|0,1,1]=4 4596 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [2,0,0,0,0,0|0,1,1]=4 4597 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [2,0,0,0,0,0|0,1,1]=4 4598 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [2,0,0,0,0,0|0,0,1]=3 4599 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [2,0,0,0,0,0|0,0,1]=3 4600 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [2,0,0,0,0,0|1,0,1]=4 4601 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [2,0,0,0,0,0|1,0,1]=4 4602 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [2,0,0,0,0,0|1,0,1]=4 4603 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [2,0,0,0,0,0|1,0,1]=4 4604 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [2,0,0,0,0,0|1,0,1]=4 4605 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [2,0,0,0,0,0|1,0,1]=4 4606 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [2,0,0,0,0,0|1,0,1]=4 4607 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [2,0,0,0,0,0|1,0,1]=4 4608 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [2,0,0,0,0,0|1,0,1]=4 4609 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [2,0,0,0,0,0|1,0,1]=4 4610 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [2,0,0,0,0,0|0,0,1]=3 4611 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [2,0,0,0,0,0|0,0,1]=3 4612 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [2,0,0,0,0,0|0,0,1]=3 4613 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [2,0,0,0,0,0|0,0,1]=3 4614 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [2,0,0,0,0,0|1,0,1]=4 4615 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [2,0,0,0,0,0|1,0,1]=4 4616 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [2,0,0,0,0,0|1,0,1]=4 4617 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [2,0,0,0,0,0|1,0,1]=4 4618 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [2,0,0,0,0,0|1,0,1]=4 4619 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [2,0,0,0,0,0|0,1,1]=4 4620 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [2,0,0,0,0,0|0,1,1]=4 4621 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [2,0,0,0,0,0|0,1,1]=4 4622 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [2,0,0,0,0,0|0,1,1]=4 4623 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [2,0,0,0,0,0|0,1,1]=4 4624 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [2,0,0,0,0,0|0,1,1]=4 4625 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [2,0,0,0,0,0|0,1,1]=4 4626 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [2,0,0,0,0,0|0,1,1]=4 4627 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [2,0,0,0,0,0|0,1,1]=4 4628 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [2,0,0,0,0,0|0,0,1]=3 4629 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [2,0,0,0,0,0|0,0,1]=3 4630 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [2,0,0,0,0,0|0,0,1]=3 4631 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [2,0,0,0,0,0|0,0,1]=3 4632 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [2,0,0,0,0,0|0,1,1]=4 4633 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [2,0,0,0,0,0|0,1,1]=4 4634 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [2,0,0,0,0,0|0,1,1]=4 4635 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [2,0,0,0,0,0|0,1,1]=4 4636 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [2,0,0,0,0,0|2,0,0]=4 4637 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [2,0,0,0,0,0|1,1,0]=4 4638 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [2,0,0,0,0,0|1,1,0]=4 4639 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [2,0,0,0,0,0|1,0,0]=3 4640 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [2,0,0,0,0,0|2,0,0]=4 4641 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [2,0,0,0,0,0|2,0,0]=4 4642 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [2,0,0,0,0,0|2,0,0]=4 4643 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [2,0,0,0,0,0|1,0,0]=3 4644 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [2,0,0,0,0,0|1,0,0]=3 4645 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [2,0,0,0,0,0|2,0,0]=4 4646 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [2,0,0,0,0,0|2,0,0]=4 4647 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [2,0,0,0,0,0|2,0,0]=4 4648 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [2,0,0,0,0,0|2,0,0]=4 4649 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [2,0,0,0,0,0|2,0,0]=4 4650 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [2,0,0,0,0,0|2,0,0]=4 4651 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [2,0,0,0,0,0|2,0,0]=4 4652 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [2,0,0,0,0,0|2,0,0]=4 4653 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [2,0,0,0,0,0|2,0,0]=4 4654 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [2,0,0,0,0,0|2,0,0]=4 4655 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [2,0,0,0,0,0|1,0,0]=3 4656 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [2,0,0,0,0,0|0,1,0]=3 4657 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [2,0,0,0,0,0|0,1,0]=3 4658 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [2,0,0,0,0,0|0,1,0]=3 4659 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [2,0,0,0,0,0|0,0,0]=2 4660 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [2,0,0,0,0,0|0,0,0]=2 4661 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [2,0,0,0,0,0|2,0,0]=4 4662 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [2,0,0,0,0,0|2,0,0]=4 4663 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [2,0,0,0,0,0|2,0,0]=4 4664 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [2,0,0,0,0,0|2,0,0]=4 4665 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [2,0,0,0,0,0|2,0,0]=4 4666 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [2,0,0,0,0,0|2,0,0]=4 4667 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [2,0,0,0,0,0|2,0,0]=4 4668 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [2,0,0,0,0,0|2,0,0]=4 4669 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [2,0,0,0,0,0|2,0,0]=4 4670 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [2,0,0,0,0,0|2,0,0]=4 4671 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [2,0,0,0,0,0|1,1,0]=4 4672 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [2,0,0,0,0,0|0,2,0]=4 4673 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [2,0,0,0,0,0|0,2,0]=4 4674 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [2,0,0,0,0,0|1,0,1]=4 4675 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [2,0,0,0,0,0|1,0,1]=4 4676 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [2,0,0,0,0,0|1,0,1]=4 4677 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [2,0,0,0,0,0|1,0,1]=4 4678 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [2,0,0,0,0,0|1,0,1]=4 4679 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [2,0,0,0,0,0|1,0,1]=4 4680 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [2,0,0,0,0,0|1,0,1]=4 4681 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [2,0,0,0,0,0|1,0,1]=4 4682 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [2,0,0,0,0,0|1,0,1]=4 4683 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [2,0,0,0,0,0|1,0,1]=4 4684 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [2,0,0,0,0,0|1,0,1]=4 4685 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [2,0,0,0,0,0|1,0,1]=4 4686 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [2,0,0,0,0,0|1,0,1]=4 4687 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [2,0,0,0,0,0|1,0,1]=4 4688 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [2,0,0,0,0,0|1,0,1]=4 4689 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [2,0,0,0,0,0|1,0,1]=4 4690 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [2,0,0,0,0,0|1,0,1]=4 4691 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [2,0,0,0,0,0|1,0,1]=4 4692 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [2,0,0,0,0,0|1,0,1]=4 4693 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [2,0,0,0,0,0|1,0,1]=4 4694 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [2,0,0,0,0,0|1,0,1]=4 4695 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [2,0,0,0,0,0|1,0,1]=4 4696 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [2,0,0,0,0,0|1,0,1]=4 4697 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [2,0,0,0,0,0|1,0,1]=4 4698 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [2,0,0,0,0,0|1,0,1]=4 4699 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [2,0,0,0,0,0|1,0,1]=4 4700 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [2,0,0,0,0,0|1,0,1]=4 4701 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [2,0,0,0,0,0|1,0,1]=4 4702 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [2,0,0,0,0,0|1,0,1]=4 4703 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [2,0,0,0,0,0|1,0,1]=4 4704 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [2,0,0,0,0,0|1,0,1]=4 4705 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [2,0,0,0,0,0|1,0,1]=4 4706 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [2,0,0,0,0,0|1,0,1]=4 4707 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [2,0,0,0,0,0|1,0,1]=4 4708 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [2,0,0,0,0,0|1,0,1]=4 4709 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [2,0,0,0,0,0|1,0,1]=4 4710 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [2,0,0,0,0,0|1,0,1]=4 4711 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [2,0,0,0,0,0|1,0,1]=4 4712 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [2,0,0,0,0,0|1,0,1]=4 4713 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [2,0,0,0,0,0|1,0,1]=4 4714 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [2,0,0,0,0,0|1,0,1]=4 4715 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [2,0,0,0,0,0|1,0,1]=4 4716 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [2,0,0,0,0,0|1,0,1]=4 4717 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [2,0,0,0,0,0|1,0,1]=4 4718 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [2,0,0,0,0,0|1,0,1]=4 4719 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [2,0,0,0,0,0|1,0,1]=4 4720 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [2,0,0,0,0,0|1,0,1]=4 4721 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [2,0,0,0,0,0|1,0,1]=4 4722 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [2,0,0,0,0,0|1,0,1]=4 4723 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [2,0,0,0,0,0|1,0,1]=4 4724 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [2,0,0,0,0,0|1,0,1]=4 4725 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [2,0,0,0,0,0|1,0,1]=4 4726 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [2,0,0,0,0,0|1,0,1]=4 4727 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [2,0,0,0,0,0|1,0,1]=4 4728 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [2,0,0,0,0,0|1,0,1]=4 4729 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [2,0,0,0,0,0|1,0,1]=4 4730 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [2,0,0,0,0,0|2,0,0]=4 4731 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [2,0,0,0,0,0|2,0,0]=4 4732 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [2,0,0,0,0,0|1,1,0]=4 4733 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [2,0,0,0,0,0|1,1,0]=4 4734 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [2,0,0,0,0,0|1,1,0]=4 4735 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [2,0,0,0,0,0|1,0,0]=3 4736 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [2,0,0,0,0,0|1,0,0]=3 4737 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [2,0,0,0,0,0|1,0,1]=4 4738 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [2,0,0,0,0,0|1,0,1]=4 4739 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [2,0,0,0,0,0|2,0,0]=4 4740 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [2,0,0,0,0,0|2,0,0]=4 4741 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [2,0,0,0,0,0|1,1,0]=4 4742 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [2,0,0,0,0,0|1,1,0]=4 4743 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [2,0,0,0,0,0|1,1,0]=4 4744 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [2,0,0,0,0,0|1,0,0]=3 4745 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [2,0,0,0,0,0|1,0,0]=3 4746 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [2,0,0,0,0,0|2,0,0]=4 4747 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [2,0,0,0,0,0|2,0,0]=4 4748 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [2,0,0,0,0,0|1,1,0]=4 4749 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [2,0,0,0,0,0|1,0,1]=4 4750 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [2,0,0,0,0,0|1,0,1]=4 4751 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [2,0,0,0,0,0|1,0,1]=4 4752 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [2,0,0,0,0,0|2,0,0]=4 4753 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [2,0,0,0,0,0|1,1,0]=4 4754 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [2,0,0,0,0,0|1,1,0]=4 4755 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [2,0,0,0,0,0|1,1,0]=4 4756 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [2,0,0,0,0,0|1,1,0]=4 4757 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [2,0,0,0,0,0|1,1,0]=4 4758 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [2,0,0,0,0,0|1,1,0]=4 4759 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [2,0,0,0,0,0|1,1,0]=4 4760 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [2,0,0,0,0,0|1,1,0]=4 4761 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [2,0,0,0,0,0|1,1,0]=4 4762 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [2,0,0,0,0,0|1,1,0]=4 4763 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [2,0,0,0,0,0|1,1,0]=4 4764 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [2,0,0,0,0,0|1,1,0]=4 4765 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [2,0,0,0,0,0|1,1,0]=4 4766 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [2,0,0,0,0,0|1,1,0]=4 4767 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [2,0,0,0,0,0|1,0,0]=3 4768 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [2,0,0,0,0,0|1,0,0]=3 4769 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [2,0,0,0,0,0|1,0,1]=4 4770 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [2,0,0,0,0,0|1,0,1]=4 4771 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [2,0,0,0,0,0|1,0,1]=4 4772 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [2,0,0,0,0,0|1,0,1]=4 4773 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [2,0,0,0,0,0|2,0,0]=4 4774 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [2,0,0,0,0,0|2,0,0]=4 4775 B10R0.71 CSCCCOCCCC#N 7a_100000690336_100000687738 [2,0,0,0,0,0|1,0,1]=4 4776 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [2,0,0,0,0,0|1,0,1]=4 4777 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [2,0,0,0,0,0|1,0,0]=3 4778 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [2,0,0,0,0,0|1,0,0]=3 4779 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [2,0,0,0,0,0|1,0,0]=3 4780 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [2,0,0,0,0,0|1,0,0]=3 4781 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [2,0,0,0,0,0|1,0,1]=4 4782 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [2,0,0,0,0,0|1,0,1]=4 4783 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [2,0,0,0,0,0|1,0,1]=4 4784 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [2,0,0,0,0,0|1,0,1]=4 4785 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [2,0,0,0,0,0|1,0,1]=4 4786 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [2,0,0,0,0,0|1,0,1]=4 4787 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [2,0,0,0,0,0|1,0,1]=4 4788 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [2,0,0,0,0,0|1,0,1]=4 4789 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [2,0,0,0,0,0|1,0,1]=4 4790 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [2,0,0,0,0,0|1,0,1]=4 4791 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [2,0,0,0,0,0|1,0,1]=4 4792 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [2,0,0,0,0,0|1,0,1]=4 4793 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [2,0,0,0,0,0|1,0,1]=4 4794 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [2,0,0,0,0,0|1,1,0]=4 4795 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [2,0,0,0,0,0|2,0,0]=4 4796 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [2,0,0,0,0,0|2,0,0]=4 4797 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [2,0,0,0,0,0|2,0,0]=4 4798 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [2,0,0,0,0,0|2,0,0]=4 4799 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [2,0,0,0,0,0|1,1,0]=4 4800 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [2,0,0,0,0,0|1,1,0]=4 4801 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [2,0,0,0,0,0|1,1,0]=4 4802 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [2,0,0,0,0,0|1,0,0]=3 4803 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [2,0,0,0,0,0|1,0,0]=3 4804 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [2,0,0,0,0,0|1,0,0]=3 4805 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [2,0,0,0,0,0|1,0,0]=3 4806 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [2,0,0,0,0,0|1,1,0]=4 4807 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [2,0,0,0,0,0|1,0,0]=3 4808 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [2,0,0,0,0,0|1,0,1]=4 4809 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [2,0,0,0,0,0|1,0,1]=4 4810 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [2,0,0,0,0,0|2,0,0]=4 4811 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [2,0,0,0,0,0|2,0,0]=4 4812 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 4813 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 4814 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 4815 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 4816 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [2,0,0,0,0,0|2,0,0]=4 4817 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [2,0,0,0,0,0|2,0,0]=4 4818 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [2,0,0,0,0,0|2,0,0]=4 4819 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [2,0,0,0,0,0|2,0,0]=4 4820 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [2,0,0,0,0,0|2,0,0]=4 4821 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [2,0,0,0,0,0|2,0,0]=4 4822 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [2,0,0,0,0,0|2,0,0]=4 4823 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [2,0,0,0,0,0|2,0,0]=4 4824 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [2,0,0,0,0,0|2,0,0]=4 4825 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [2,0,0,0,0,0|2,0,0]=4 4826 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [2,0,0,0,0,0|2,0,0]=4 4827 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [2,0,0,0,0,0|2,0,0]=4 4828 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [2,0,0,0,0,0|2,0,0]=4 4829 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [2,0,0,0,0,0|2,0,0]=4 4830 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [2,0,0,0,0,0|2,0,0]=4 4831 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [2,0,0,0,0,0|2,0,0]=4 4832 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [2,0,0,0,0,0|2,0,0]=4 4833 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [2,0,0,0,0,0|2,0,0]=4 4834 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [2,0,0,0,0,0|2,0,0]=4 4835 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [2,0,0,0,0,0|2,0,0]=4 4836 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [2,0,0,0,0,0|2,0,0]=4 4837 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [2,0,0,0,0,0|2,0,0]=4 4838 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [2,0,0,0,0,0|0,0,2]=4 4839 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [2,0,0,0,0,0|0,0,2]=4 4840 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [2,0,0,0,0,0|0,0,2]=4 4841 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [2,0,0,0,0,0|0,0,2]=4 4842 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [2,0,0,0,0,0|0,0,2]=4 4843 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [2,0,0,0,0,0|0,0,2]=4 4844 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [2,0,0,0,0,0|0,0,2]=4 4845 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [2,0,0,0,0,0|0,0,2]=4 4846 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [2,0,0,0,0,0|0,0,2]=4 4847 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [2,0,0,0,0,0|0,0,2]=4 4848 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [2,0,0,0,0,0|0,0,2]=4 4849 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [2,0,0,0,0,0|0,0,2]=4 4850 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [2,0,0,0,0,0|0,0,2]=4 4851 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [2,0,0,0,0,0|0,0,2]=4 4852 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [2,0,0,0,0,0|0,0,2]=4 4853 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [2,0,0,0,0,0|0,0,2]=4 4854 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [2,0,0,0,0,0|0,0,2]=4 4855 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [2,0,0,0,0,0|0,0,2]=4 4856 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [2,0,0,0,0,0|0,0,2]=4 4857 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [2,0,0,0,0,0|0,0,2]=4 4858 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [2,0,0,0,0,0|0,0,2]=4 4859 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [2,0,0,0,0,0|0,0,2]=4 4860 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [2,0,0,0,0,0|0,0,2]=4 4861 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [2,0,0,0,0,0|0,0,2]=4 4862 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [2,0,0,0,0,0|0,0,2]=4 4863 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [2,0,0,0,0,0|0,0,2]=4 4864 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [2,0,0,0,0,0|0,0,2]=4 4865 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [2,0,0,0,0,0|0,0,2]=4 4866 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [2,0,0,0,0,0|0,0,2]=4 4867 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [2,0,0,0,0,0|0,0,2]=4 4868 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [2,0,0,0,0,0|0,0,2]=4 4869 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [2,0,0,0,0,0|0,0,2]=4 4870 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [2,0,0,0,0,0|0,0,2]=4 4871 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [2,0,0,0,0,0|1,0,1]=4 4872 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [2,0,0,0,0,0|1,0,1]=4 4873 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [2,0,0,0,0,0|1,0,0]=3 4874 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [2,0,0,0,0,0|1,0,0]=3 4875 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [2,0,0,0,0,0|1,0,0]=3 4876 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [2,0,0,0,0,0|0,1,0]=3 4877 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [2,0,0,0,0,0|0,1,0]=3 4878 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [2,0,0,0,0,0|0,0,0]=2 4879 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [2,0,0,0,0,0|1,0,0]=3 4880 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [2,0,0,0,0,0|1,0,0]=3 4881 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [2,0,0,0,0,0|1,0,0]=3 4882 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [2,0,0,0,0,0|1,0,0]=3 4883 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [2,0,0,0,0,0|1,0,0]=3 4884 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [2,0,0,0,0,0|2,0,0]=4 4885 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [2,0,0,0,0,0|1,0,0]=3 4886 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [2,0,0,0,0,0|2,0,0]=4 4887 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [2,0,0,0,0,0|2,0,0]=4 4888 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [2,0,0,0,0,0|2,0,0]=4 4889 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [2,0,0,0,0,0|2,0,0]=4 4890 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [2,0,0,0,0,0|1,1,0]=4 4891 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [2,0,0,0,0,0|1,1,0]=4 4892 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [2,0,0,0,0,0|1,1,0]=4 4893 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [2,0,0,0,0,0|1,1,0]=4 4894 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [2,0,0,0,0,0|1,1,0]=4 4895 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [2,0,0,0,0,0|1,0,0]=3 4896 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [2,0,0,0,0,0|1,0,0]=3 4897 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [2,0,0,0,0,0|1,0,0]=3 4898 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [2,0,0,0,0,0|1,0,0]=3 4899 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [2,0,0,0,0,0|2,0,0]=4 4900 B10R0.91 CCCCC(C)OCCSC 34a_100000230434_200011215066 [2,0,0,0,0,0|1,0,1]=4 4901 B10R0.91 CCCCC(C)OCCSC 34a_100000687866_100000212216 [2,0,0,0,0,0|1,0,1]=4 4902 B10R0.91 CCCCC(C)OCCSC 7a_100000230434_200011215066 [2,0,0,0,0,0|1,0,1]=4 4903 B10R0.91 CCCCC(C)OCCSC 7a_100000687866_100000212216 [2,0,0,0,0,0|1,0,1]=4 4904 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [2,0,0,0,0,0|1,0,1]=4 4905 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [2,0,0,0,0,0|1,0,1]=4 4906 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [2,0,0,0,0,0|0,0,0]=2 4907 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [2,0,0,0,0,0|0,0,0]=2 4908 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [2,0,0,0,0,0|1,0,0]=3 4909 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [2,0,0,0,0,0|0,1,0]=3 4910 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [2,0,0,0,0,0|0,1,0]=3 4911 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [2,0,0,0,0,0|0,1,0]=3 4912 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [2,0,0,0,0,0|0,0,0]=2 4913 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [2,0,0,0,0,0|0,0,0]=2 4914 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [2,0,0,0,0,0|1,0,0]=3 4915 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [2,0,0,0,0,0|1,0,0]=3 4916 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [2,0,0,0,0,0|1,0,0]=3 4917 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [2,0,0,0,0,0|1,0,0]=3 4918 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [2,0,0,0,0,0|1,0,0]=3 4919 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [2,0,0,0,0,0|1,0,0]=3 4920 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [2,0,0,0,0,0|2,0,0]=4 4921 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [2,0,0,0,0,0|2,0,0]=4 4922 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [2,0,0,0,0,0|1,0,0]=3 4923 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [2,0,0,0,0,0|1,0,0]=3 4924 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [2,0,0,0,0,0|1,0,0]=3 4925 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [2,0,0,0,0,0|1,0,0]=3 4926 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [2,0,0,0,0,0|2,0,0]=4 4927 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [2,0,0,0,0,0|2,0,0]=4 4928 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [2,0,0,0,0,0|2,0,0]=4 4929 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [2,0,0,0,0,0|2,0,0]=4 4930 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [2,0,0,0,0,0|1,1,0]=4 4931 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [2,0,0,0,0,0|1,1,0]=4 4932 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [2,0,0,0,0,0|2,0,0]=4 4933 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [2,0,0,0,0,0|1,0,1]=4 4934 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [2,0,0,0,0,0|1,0,1]=4 4935 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [2,0,0,0,0,0|1,0,1]=4 4936 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [2,0,0,0,0,0|1,0,1]=4 4937 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [2,0,0,0,0,0|2,0,0]=4 4938 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [2,0,0,0,0,0|2,0,0]=4 4939 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [2,0,0,0,0,0|2,0,0]=4 4940 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [2,0,0,0,0,0|2,0,0]=4 4941 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [2,0,0,0,0,0|2,0,0]=4 4942 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [2,0,0,0,0,0|2,0,0]=4 4943 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [2,0,0,0,0,0|2,0,0]=4 4944 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [2,0,0,0,0,0|2,0,0]=4 4945 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [2,0,0,0,0,0|1,0,0]=3 4946 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [2,0,0,0,0,0|1,0,0]=3 4947 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [2,0,0,0,0,0|1,0,0]=3 4948 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [2,0,0,0,0,0|1,0,0]=3 4949 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [2,0,0,0,0,0|1,1,0]=4 4950 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [2,0,0,0,0,0|1,1,0]=4 4951 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [2,0,0,0,0,0|1,1,0]=4 4952 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [2,0,0,0,0,0|1,1,0]=4 4953 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [2,0,0,0,0,0|1,0,0]=3 4954 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [2,0,0,0,0,0|1,0,0]=3 4955 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [2,0,0,0,0,0|1,0,0]=3 4956 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [2,0,0,0,0,0|1,0,0]=3 4957 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [2,0,0,0,0,0|2,0,0]=4 4958 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [2,0,0,0,0,0|2,0,0]=4 4959 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [2,0,0,0,0,0|2,0,0]=4 4960 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [2,0,0,0,0,0|2,0,0]=4 4961 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [2,0,0,0,0,0|2,0,0]=4 4962 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [2,0,0,0,0,0|2,0,0]=4 4963 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [2,0,0,0,0,0|2,0,0]=4 4964 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [2,0,0,0,0,0|2,0,0]=4 4965 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [2,0,0,0,0,0|2,0,0]=4 4966 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [2,0,0,0,0,0|2,0,0]=4 4967 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [2,0,0,0,0,0|2,0,0]=4 4968 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [2,0,0,0,0,0|2,0,0]=4 4969 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [2,0,0,0,0,0|2,0,0]=4 4970 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [2,0,0,0,0,0|2,0,0]=4 4971 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [2,0,0,0,0,0|2,0,0]=4 4972 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [2,0,0,0,0,0|2,0,0]=4 4973 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [2,0,0,0,0,0|2,0,0]=4 4974 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [2,0,0,0,0,0|2,0,0]=4 4975 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [2,0,0,0,0,0|1,0,0]=3 4976 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [2,0,0,0,0,0|1,0,0]=3 4977 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [2,0,0,0,0,0|1,0,0]=3 4978 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [2,0,0,0,0,0|1,0,0]=3 4979 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [2,0,0,0,0,0|2,0,0]=4 4980 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [2,0,0,0,0,0|2,0,0]=4 4981 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [2,0,0,0,0,0|1,0,1]=4 4982 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [2,0,0,0,0,0|1,0,1]=4 4983 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [2,0,0,0,0,0|1,0,1]=4 4984 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [2,0,0,0,0,0|1,0,1]=4 4985 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [2,0,0,0,0,0|2,0,0]=4 4986 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [2,0,0,0,0,0|2,0,0]=4 4987 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [2,0,0,0,0,0|2,0,0]=4 4988 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [2,0,0,0,0,0|1,1,0]=4 4989 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [2,0,0,0,0,0|1,1,0]=4 4990 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [2,0,0,0,0,0|1,1,0]=4 4991 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [2,0,0,0,0,0|1,1,0]=4 4992 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [2,0,0,0,0,0|1,0,0]=3 4993 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [2,0,0,0,0,0|1,0,0]=3 4994 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [2,0,0,0,0,0|1,0,0]=3 4995 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [2,0,0,0,0,0|1,0,0]=3 4996 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [2,0,0,0,0,0|1,0,0]=3 4997 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [2,0,0,0,0,0|1,0,0]=3 4998 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [2,0,0,0,0,0|1,0,0]=3 4999 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [2,0,0,0,0,0|1,0,0]=3 5000 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [2,0,0,0,0,0|2,0,0]=4 5001 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [2,0,0,0,0,0|2,0,0]=4 5002 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [2,0,0,0,0,0|2,0,0]=4 5003 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [2,0,0,0,0,0|2,0,0]=4 5004 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [2,0,0,0,0,0|2,0,0]=4 5005 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [2,0,0,0,0,0|2,0,0]=4 5006 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [2,0,0,0,0,0|2,0,0]=4 5007 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [2,0,0,0,0,0|2,0,0]=4 5008 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [2,0,0,0,0,0|2,0,0]=4 5009 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [2,0,0,0,0,0|2,0,0]=4 5010 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [2,0,0,0,0,0|2,0,0]=4 5011 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [2,0,0,0,0,0|2,0,0]=4 5012 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [2,0,0,0,0,0|2,0,0]=4 5013 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [2,0,0,0,0,0|2,0,0]=4 5014 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [2,0,0,0,0,0|2,0,0]=4 5015 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [2,0,0,0,0,0|2,0,0]=4 5016 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [2,0,0,0,0,0|2,0,0]=4 5017 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [2,0,0,0,0,0|2,0,0]=4 5018 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [2,0,0,0,0,0|2,0,0]=4 5019 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [2,0,0,0,0,0|2,0,0]=4 5020 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [2,0,0,0,0,0|2,0,0]=4 5021 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [2,0,0,0,0,0|2,0,0]=4 5022 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [2,0,0,0,0,0|2,0,0]=4 5023 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [2,0,0,0,0,0|2,0,0]=4 5024 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [2,0,0,0,0,0|2,0,0]=4 5025 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [2,0,0,0,0,0|2,0,0]=4 5026 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [2,0,0,0,0,0|2,0,0]=4 5027 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [2,0,0,0,0,0|2,0,0]=4 5028 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [2,0,0,0,0,0|2,0,0]=4 5029 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [2,0,0,0,0,0|2,0,0]=4 5030 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [2,0,0,0,0,0|2,0,0]=4 5031 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [2,0,0,0,0,0|2,0,0]=4 5032 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [2,0,0,0,0,0|2,0,0]=4 5033 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [2,0,0,0,0,0|2,0,0]=4 5034 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [2,0,0,0,0,0|2,0,0]=4 5035 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [2,0,0,0,0,0|1,0,0]=3 5036 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [2,0,0,0,0,0|1,0,0]=3 5037 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [2,0,0,0,0,0|2,0,0]=4 5038 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [2,0,0,0,0,0|2,0,0]=4 5039 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [2,0,0,0,0,0|2,0,0]=4 5040 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [2,0,0,0,0,0|2,0,0]=4 5041 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [2,0,0,0,0,0|2,0,0]=4 5042 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [2,0,0,0,0,0|2,0,0]=4 5043 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [2,0,0,0,0,0|2,0,0]=4 5044 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [2,0,0,0,0,0|2,0,0]=4 5045 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [2,0,0,0,0,0|2,0,0]=4 5046 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [2,0,0,0,0,0|2,0,0]=4 5047 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [2,0,0,0,0,0|2,0,0]=4 5048 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [2,0,0,0,0,0|1,1,0]=4 5049 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [2,0,0,0,0,0|1,1,0]=4 5050 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [2,0,0,0,0,0|1,0,0]=3 5051 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [2,0,0,0,0,0|1,0,0]=3 5052 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [2,0,0,0,0,0|2,0,0]=4 5053 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [2,0,0,0,0,0|1,1,0]=4 5054 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [2,0,0,0,0,0|1,1,0]=4 5055 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [2,0,0,0,0,0|1,0,0]=3 5056 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [2,0,0,0,0,0|1,1,0]=4 5057 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [2,0,0,0,0,0|2,0,0]=4 5058 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [2,0,0,0,0,0|2,0,0]=4 5059 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [2,0,0,0,0,0|2,0,0]=4 5060 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [2,0,0,0,0,0|1,1,0]=4 5061 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [2,0,0,0,0,0|2,0,0]=4 5062 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [2,0,0,0,0,0|2,0,0]=4 5063 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [2,0,0,0,0,0|2,0,0]=4 5064 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [2,0,0,0,0,0|2,0,0]=4 5065 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [2,0,0,0,0,0|2,0,0]=4 5066 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [2,0,0,0,0,0|1,1,0]=4 5067 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [2,0,0,0,0,0|2,0,0]=4 5068 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [2,0,0,0,0,0|1,1,0]=4 5069 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [2,0,0,0,0,0|1,1,0]=4 5070 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [2,0,0,0,0,0|1,1,0]=4 5071 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [2,0,0,0,0,0|1,0,0]=3 5072 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [2,0,0,0,0,0|1,0,0]=3 5073 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [2,0,0,0,0,0|2,0,0]=4 5074 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [2,0,0,0,0,0|2,0,0]=4 5075 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [2,0,0,0,0,0|2,0,0]=4 5076 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [2,0,0,0,0,0|2,0,0]=4 5077 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [2,0,0,0,0,0|1,1,0]=4 5078 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [2,0,0,0,0,0|2,0,0]=4 5079 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [2,0,0,0,0,0|2,0,0]=4 5080 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [2,0,0,0,0,0|2,0,0]=4 5081 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [2,0,0,0,0,0|2,0,0]=4 5082 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [2,0,0,0,0,0|1,1,0]=4 5083 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [2,0,0,0,0,0|1,1,0]=4 5084 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [2,0,0,0,0,0|2,0,0]=4 5085 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [2,0,0,0,0,0|1,1,0]=4 5086 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [2,0,0,0,0,0|1,1,0]=4 5087 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [2,0,0,0,0,0|1,1,0]=4 5088 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [2,0,0,0,0,0|1,0,0]=3 5089 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [2,0,0,0,0,0|1,0,0]=3 5090 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [2,0,0,0,0,0|2,0,0]=4 5091 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [2,0,0,0,0,0|1,1,0]=4 5092 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [2,0,0,0,0,0|1,1,0]=4 5093 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [2,0,0,0,0,0|1,1,0]=4 5094 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [2,0,0,0,0,0|1,0,0]=3 5095 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [2,0,0,0,0,0|2,0,0]=4 5096 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [2,0,0,0,0,0|2,0,0]=4 5097 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [2,0,0,0,0,0|2,0,0]=4 5098 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [2,0,0,0,0,0|2,0,0]=4 5099 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [2,0,0,0,0,0|1,1,0]=4 5100 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [2,0,0,0,0,0|1,1,0]=4 5101 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [2,0,0,0,0,0|1,1,0]=4 5102 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [2,0,0,0,0,0|1,1,0]=4 5103 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [2,0,0,0,0,0|1,0,0]=3 5104 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [2,0,0,0,0,0|1,0,0]=3 5105 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [2,0,0,0,0,0|2,0,0]=4 5106 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [2,0,0,0,0,0|2,0,0]=4 5107 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [2,0,0,0,0,0|2,0,0]=4 5108 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [2,0,0,0,0,0|1,0,1]=4 5109 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [2,0,0,0,0,0|1,0,1]=4 5110 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [2,0,0,0,0,0|1,0,0]=3 5111 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [2,0,0,0,0,0|1,0,0]=3 5112 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [2,0,0,0,0,0|1,0,0]=3 5113 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [2,0,0,0,0,0|2,0,0]=4 5114 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [2,0,0,0,0,0|2,0,0]=4 5115 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [2,0,0,0,0,0|2,0,0]=4 5116 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [2,0,0,0,0,0|2,0,0]=4 5117 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [2,0,0,0,0,0|2,0,0]=4 5118 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [2,0,0,0,0,0|2,0,0]=4 5119 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [2,0,0,0,0,0|2,0,0]=4 5120 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [2,0,0,0,0,0|1,0,1]=4 5121 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [2,0,0,0,0,0|1,0,0]=3 5122 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [2,0,0,0,0,0|1,0,0]=3 5123 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [2,0,0,0,0,0|1,0,0]=3 5124 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [2,0,0,0,0,0|2,0,0]=4 5125 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [2,0,0,0,0,0|2,0,0]=4 5126 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [2,0,0,0,0,0|2,0,0]=4 5127 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [2,0,0,0,0,0|2,0,0]=4 5128 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [2,0,0,0,0,0|2,0,0]=4 5129 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [2,0,0,0,0,0|2,0,0]=4 5130 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [2,0,0,0,0,0|2,0,0]=4 5131 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [2,0,0,0,0,0|2,0,0]=4 5132 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [2,0,0,0,0,0|2,0,0]=4 5133 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [2,0,0,0,0,0|2,0,0]=4 5134 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [2,0,0,0,0,0|2,0,0]=4 5135 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [2,0,0,0,0,0|1,1,0]=4 5136 B12R0.1 CCCC(C)CCOCCCOC 34a_100011217855_100000740836 [1,1,0,0,0,0|0,1,1]=4 5137 B12R0.1 CCCC(C)CCOCCCOC 7a_100011217855_100000740836 [1,1,0,0,0,0|0,1,1]=4 5138 B12R0.1 CCCC(C)COCCCCSC 34a_100011217163_100011216630 [1,1,0,0,0,0|2,0,0]=4 5139 B12R0.1 CCCC(C)COCCCCSC 7a_100011217163_100011216630 [1,1,0,0,0,0|2,0,0]=4 5140 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [1,1,0,0,0,0|1,0,1]=4 5141 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [1,1,0,0,0,0|1,0,1]=4 5142 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [1,1,0,0,0,0|1,0,1]=4 5143 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [1,1,0,0,0,0|1,0,1]=4 5144 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [1,1,0,0,0,0|0,1,1]=4 5145 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [1,1,0,0,0,0|0,1,1]=4 5146 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [1,1,0,0,0,0|0,1,1]=4 5147 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [1,1,0,0,0,0|1,0,1]=4 5148 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [1,1,0,0,0,0|1,0,1]=4 5149 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [1,1,0,0,0,0|1,0,1]=4 5150 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [1,1,0,0,0,0|1,0,1]=4 5151 B12R0.1 CCC[C@H](N)CCOCCCOC 34a_100015193777_100000740836 [1,1,0,0,0,0|0,1,1]=4 5152 B12R0.5 C#CCCCCCOCCCSC 34a_100000690336_100012094781 [1,1,0,0,0,0|0,0,2]=4 5153 B12R0.5 C#CCCCCCOCCCSC 7a_100000690336_100012094781 [1,1,0,0,0,0|0,0,2]=4 5154 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [1,1,0,0,0,0|0,0,2]=4 5155 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [1,1,0,0,0,0|0,0,2]=4 5156 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [1,1,0,0,0,0|1,0,1]=4 5157 B12R0.5 CCCC/C=C/COCCCCC 34a_200016272032_100000718602 [1,1,0,0,0,0|1,0,1]=4 5158 B12R0.5 CCCC/C=C/COCCCCC 7a_200016272032_100000210326 [1,1,0,0,0,0|1,0,1]=4 5159 B12R0.5 CCCC/C=C/COCCCOC 34a_200016272032_100000740836 [1,1,0,0,0,0|0,1,1]=4 5160 B12R0.5 CCCC/C=C/COCCCOC 7a_200016272032_100000740836 [1,1,0,0,0,0|0,1,1]=4 5161 B12R0.5 CCCC/C=C\CCOCCSC 34a_200016286491_100000212216 [1,1,0,0,0,0|1,0,1]=4 5162 B12R0.5 CCCC/C=C\CCOCCSC 7a_200016286491_100000212216 [1,1,0,0,0,0|1,0,1]=4 5163 B12R0.5 CCCCC/C=C/COCCCC 34a_100016258190_100000210210 [1,1,0,0,0,0|2,0,0]=4 5164 B12R0.5 CCCCC/C=C/COCCCC 7a_100016258190_100000210211 [1,1,0,0,0,0|2,0,0]=4 5165 B12R0.5 CCCCC/C=C/COCCOC 34a_100016258190_100011201679 [1,1,0,0,0,0|1,1,0]=4 5166 B12R0.5 CCCCC/C=C/COCCOC 7a_100016258190_100000233755 [1,1,0,0,0,0|1,1,0]=4 5167 B12R0.5 CCCCC/C=C/COCCSC 34a_100016258190_100000212216 [1,1,0,0,0,0|1,0,0]=3 5168 B12R0.5 CCCCC/C=C/COCCSC 7a_100016258190_100000212216 [1,1,0,0,0,0|1,0,0]=3 5169 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [1,1,0,0,0,0|1,1,0]=4 5170 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [1,1,0,0,0,0|1,1,0]=4 5171 B12R0.5 CCCCC/C=C\CCCOCF 34a_100020655193_100015361967 [1,1,0,0,0,0|1,1,0]=4 5172 B12R0.5 CCCCC/C=C\CCCOCF 7a_100020655193_100015361967 [1,1,0,0,0,0|1,1,0]=4 5173 B12R0.5 CCCCC/C=C\CCOCCC 34a_100016277358_100000210303 [1,1,0,0,0,0|2,0,0]=4 5174 B12R0.5 CCCCC/C=C\CCOCCC 7a_100016277358_100000210303 [1,1,0,0,0,0|2,0,0]=4 5175 B12R0.5 CCCCC/C=C\CCOCSC 34a_100016277358_100011218213 [1,1,0,0,0,0|1,0,0]=3 5176 B12R0.5 CCCCCC#CCCOCSC 34a_200000042877_100011218213 [1,1,0,0,0,0|1,0,1]=4 5177 B12R0.5 CCCCCC#CCNCCSC 2230a_100020590264_100009816472 [1,1,0,0,0,0|1,0,1]=4 5178 B12R0.5 CCCCCC#CCOCCSC 34a_100000230434_100009816472 [1,1,0,0,0,0|1,0,1]=4 5179 B12R0.5 CCCCCC#CCOCCSC 34a_200000033628_100000212216 [1,1,0,0,0,0|1,0,1]=4 5180 B12R0.5 CCCCCC#CCOCCSC 7a_100000230434_100009816472 [1,1,0,0,0,0|1,0,1]=4 5181 B12R0.5 CCCCCC#CCOCCSC 7a_200000033628_100000212216 [1,1,0,0,0,0|1,0,1]=4 5182 B12R0.5 CCCCCC#CCSCCSC 62a_100000212216_100009816472 [1,1,0,0,0,0|1,0,1]=4 5183 B12R0.5 CCCCCC#CCSCCSC 62a_100009816472_100000751147 [1,1,0,0,0,0|1,0,1]=4 5184 B12R0.5 CCCCCC/C=C/COCSC 34a_200016276170_100011218213 [1,1,0,0,0,0|2,0,0]=4 5185 B12R0.5 CCCCCC=NNCCCCC 4a_100000694160_100000737632 [1,1,0,0,0,0|2,0,0]=4 5186 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,1,0,0,0,0|1,0,1]=4 5187 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,1,0,0,0,0|1,0,1]=4 5188 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,1,0,0,0,0|1,0,1]=4 5189 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [1,1,0,0,0,0|1,0,1]=4 5190 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,1,0,0,0,0|1,0,1]=4 5191 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,1,0,0,0,0|1,0,1]=4 5192 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,1,0,0,0,0|1,0,1]=4 5193 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,1,0,0,0,0|1,0,1]=4 5194 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [1,1,0,0,0,0|1,0,1]=4 5195 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [1,1,0,0,0,0|1,0,1]=4 5196 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [1,1,0,0,0,0|1,0,1]=4 5197 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,1,0,0,0,0|1,0,1]=4 5198 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,1,0,0,0,0|1,0,1]=4 5199 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,1,0,0,0,0|1,0,1]=4 5200 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,1,0,0,0,0|1,0,1]=4 5201 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [1,1,0,0,0,0|1,0,1]=4 5202 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [1,1,0,0,0,0|1,0,1]=4 5203 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [1,1,0,0,0,0|1,0,1]=4 5204 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,1,0,0,0,0|1,0,1]=4 5205 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,1,0,0,0,0|1,0,1]=4 5206 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,1,0,0,0,0|1,0,1]=4 5207 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,1,0,0,0,0|1,0,1]=4 5208 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [1,1,0,0,0,0|1,0,1]=4 5209 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [1,1,0,0,0,0|0,1,1]=4 5210 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [1,1,0,0,0,0|0,1,1]=4 5211 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [1,1,0,0,0,0|0,1,1]=4 5212 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [1,1,0,0,0,0|0,0,1]=3 5213 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [1,1,0,0,0,0|0,0,1]=3 5214 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [1,1,0,0,0,0|1,0,1]=4 5215 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [1,1,0,0,0,0|1,0,1]=4 5216 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,1,0,0,0,0|1,0,1]=4 5217 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,1,0,0,0,0|1,0,1]=4 5218 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [1,1,0,0,0,0|1,0,1]=4 5219 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [1,1,0,0,0,0|1,0,1]=4 5220 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [1,1,0,0,0,0|1,0,1]=4 5221 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [1,1,0,0,0,0|1,0,1]=4 5222 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [1,1,0,0,0,0|1,0,1]=4 5223 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [1,1,0,0,0,0|1,0,1]=4 5224 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [1,1,0,0,0,0|1,0,1]=4 5225 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [1,1,0,0,0,0|1,0,1]=4 5226 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [1,1,0,0,0,0|1,0,1]=4 5227 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [1,1,0,0,0,0|0,1,1]=4 5228 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [1,1,0,0,0,0|0,1,1]=4 5229 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [1,1,0,0,0,0|0,1,1]=4 5230 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [1,1,0,0,0,0|0,0,1]=3 5231 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [1,1,0,0,0,0|0,0,1]=3 5232 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [1,1,0,0,0,0|0,1,1]=4 5233 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [1,1,0,0,0,0|0,1,1]=4 5234 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [1,1,0,0,0,0|0,1,1]=4 5235 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [1,1,0,0,0,0|0,1,1]=4 5236 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [1,1,0,0,0,0|0,0,1]=3 5237 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [1,1,0,0,0,0|0,0,1]=3 5238 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [1,1,0,0,0,0|1,0,1]=4 5239 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [1,1,0,0,0,0|1,0,1]=4 5240 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [1,1,0,0,0,0|1,0,1]=4 5241 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [1,1,0,0,0,0|1,0,1]=4 5242 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [1,1,0,0,0,0|1,0,1]=4 5243 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [1,1,0,0,0,0|1,0,1]=4 5244 B12R0.5 CCCCCCOCCOCSC 34a_100000691444_100011218213 [1,1,0,0,0,0|0,0,1]=3 5245 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [1,1,0,0,0,0|1,0,1]=4 5246 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [1,1,0,0,0,0|1,0,1]=4 5247 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [1,1,0,0,0,0|1,0,1]=4 5248 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [1,1,0,0,0,0|2,0,0]=4 5249 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [1,1,0,0,0,0|1,0,1]=4 5250 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [1,1,0,0,0,0|1,0,1]=4 5251 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [1,1,0,0,0,0|1,0,1]=4 5252 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [1,1,0,0,0,0|1,0,1]=4 5253 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [1,1,0,0,0,0|1,0,1]=4 5254 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [1,1,0,0,0,0|1,0,1]=4 5255 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [1,1,0,0,0,0|1,0,1]=4 5256 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [1,1,0,0,0,0|1,0,1]=4 5257 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [1,1,0,0,0,0|1,0,1]=4 5258 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [1,1,0,0,0,0|1,0,1]=4 5259 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [1,1,0,0,0,0|1,0,1]=4 5260 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [1,1,0,0,0,0|1,0,1]=4 5261 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [1,1,0,0,0,0|1,0,1]=4 5262 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [1,1,0,0,0,0|1,0,1]=4 5263 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [1,1,0,0,0,0|1,0,1]=4 5264 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [1,1,0,0,0,0|1,0,1]=4 5265 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [1,1,0,0,0,0|1,0,1]=4 5266 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [1,1,0,0,0,0|1,0,1]=4 5267 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [1,1,0,0,0,0|2,0,0]=4 5268 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [1,1,0,0,0,0|2,0,0]=4 5269 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [1,1,0,0,0,0|1,0,1]=4 5270 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [1,1,0,0,0,0|1,0,1]=4 5271 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [1,1,0,0,0,0|1,0,1]=4 5272 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [1,1,0,0,0,0|1,0,1]=4 5273 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [1,1,0,0,0,0|0,1,1]=4 5274 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [1,1,0,0,0,0|0,1,1]=4 5275 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [1,1,0,0,0,0|0,1,1]=4 5276 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [1,1,0,0,0,0|0,0,1]=3 5277 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [1,1,0,0,0,0|0,0,1]=3 5278 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [1,1,0,0,0,0|1,0,1]=4 5279 B12R0.5 CCCCOCOCCCSCC 34a_100011216438_100011995733 [1,1,0,0,0,0|1,0,1]=4 5280 B12R0.5 CCCCSCCOCCCOC 34a_200000230436_100000740836 [1,1,0,0,0,0|0,1,1]=4 5281 B12R0.5 CCCCSCCOCCCOC 7a_200000230436_100000740836 [1,1,0,0,0,0|0,1,1]=4 5282 B12R0.5 CCCOCCCOCCCOC 34a_200011215475_100000210303 [1,1,0,0,0,0|0,1,1]=4 5283 B12R0.5 CCCOCCCOCCCOC 7a_200011215475_100000210303 [1,1,0,0,0,0|0,1,1]=4 5284 B12R0.5 CCCOCCOCCCCSC 34a_100011217163_100011215938 [1,1,0,0,0,0|1,0,1]=4 5285 B12R0.5 CCCOCCOCCCCSC 7a_100011217163_100011215938 [1,1,0,0,0,0|1,0,1]=4 5286 B12R0.5 CCCOCCOCCCSCC 34a_100011216438_100011215938 [1,1,0,0,0,0|1,0,1]=4 5287 B12R0.5 CCCOCCOCCCSCC 7a_100011216438_100011215938 [1,1,0,0,0,0|1,0,1]=4 5288 B12R0.5 CCCOCCOCCNCSC 2230a_200011904461_100011218213 [1,1,0,0,0,0|1,0,1]=4 5289 B12R0.5 CCCOCCOCCNCSC 34a_200011904461_100011218213 [1,1,0,0,0,0|1,0,1]=4 5290 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [1,1,0,0,0,0|1,0,1]=4 5291 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [1,1,0,0,0,0|1,0,1]=4 5292 B12R0.5 CCOCCCOCCCSCC 34a_100011216438_100012232248 [1,1,0,0,0,0|1,0,1]=4 5293 B12R0.5 CCOCCCOCCCSCC 7a_100011216438_100012232248 [1,1,0,0,0,0|1,0,1]=4 5294 B12R0.5 CCSCCCOCCCCCF 34a_100011216438_100000729378 [1,1,0,0,0,0|1,0,1]=4 5295 B12R0.5 CCSCCCOCCCCCF 7a_100011216438_100000729378 [1,1,0,0,0,0|1,0,1]=4 5296 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [1,1,0,0,0,0|1,0,1]=4 5297 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [1,1,0,0,0,0|1,0,1]=4 5298 B12R0.5 CCSCCCOCCCCOC 34a_100011216438_100000755781 [1,1,0,0,0,0|1,0,1]=4 5299 B12R0.5 CCSCCCOCCCCOC 7a_100011216438_100000730899 [1,1,0,0,0,0|1,0,1]=4 5300 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [1,1,0,0,0,0|0,1,1]=4 5301 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [1,1,0,0,0,0|1,0,1]=4 5302 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [1,1,0,0,0,0|1,0,1]=4 5303 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [1,1,0,0,0,0|1,0,1]=4 5304 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [1,1,0,0,0,0|1,0,1]=4 5305 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [1,1,0,0,0,0|0,1,1]=4 5306 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [1,1,0,0,0,0|0,1,1]=4 5307 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [1,1,0,0,0,0|0,1,1]=4 5308 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [1,1,0,0,0,0|0,1,1]=4 5309 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [1,1,0,0,0,0|0,1,1]=4 5310 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [1,1,0,0,0,0|0,1,1]=4 5311 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [1,1,0,0,0,0|0,1,1]=4 5312 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [1,1,0,0,0,0|0,1,1]=4 5313 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [1,1,0,0,0,0|0,1,1]=4 5314 B12R0.5 COCCOCCOCCCSC 34a_100000690336_100000695917 [1,1,0,0,0,0|1,0,1]=4 5315 B12R0.5 COCCOCCOCCCSC 7a_100000690336_100000695917 [1,1,0,0,0,0|1,0,1]=4 5316 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [1,1,0,0,0,0|1,0,1]=4 5317 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [1,1,0,0,0,0|1,0,1]=4 5318 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [1,1,0,0,0,0|1,0,1]=4 5319 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [1,1,0,0,0,0|1,0,1]=4 5320 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [1,1,0,0,0,0|1,0,1]=4 5321 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [1,1,0,0,0,0|1,0,1]=4 5322 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [1,1,0,0,0,0|1,0,1]=4 5323 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [1,1,0,0,0,0|1,0,1]=4 5324 B12R0.5 CSCCCOCCCCCC#N 7a_100000690336_100009813376 [1,1,0,0,0,0|0,0,2]=4 5325 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [1,1,0,0,0,0|0,0,2]=4 5326 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [1,1,0,0,0,0|0,0,1]=3 5327 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [1,1,0,0,0,0|0,0,1]=3 5328 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [1,1,0,0,0,0|0,0,1]=3 5329 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [1,1,0,0,0,0|0,0,1]=3 5330 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [1,1,0,0,0,0|1,0,1]=4 5331 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [1,1,0,0,0,0|1,0,1]=4 5332 B12R0.206 CCCCC(C)COCCCOC 34a_100011995851_100000740836 [1,1,0,0,0,0|0,1,1]=4 5333 B12R0.206 CCCCC(C)COCCCOC 7a_100011995851_100000740836 [1,1,0,0,0,0|0,1,1]=4 5334 B12R0.206 CCCCC(C)OCCCCSC 34a_100011217163_200011215066 [1,1,0,0,0,0|2,0,0]=4 5335 B12R0.206 CCCCC(C)OCCCCSC 7a_100011217163_200011215066 [1,1,0,0,0,0|2,0,0]=4 5336 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [1,1,0,0,0,0|1,0,1]=4 5337 B12R0.206 CCCCCCNC(C)CCSC 270004a_100000210581_100011217047 [1,1,0,0,0,0|1,0,1]=4 5338 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [1,1,0,0,0,0|1,0,1]=4 5339 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [1,1,0,0,0,0|1,0,1]=4 5340 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [1,1,0,0,0,0|1,0,1]=4 5341 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [1,1,0,0,0,0|1,0,1]=4 5342 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [1,1,0,0,0,0|1,0,1]=4 5343 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [1,1,0,0,0,0|1,0,1]=4 5344 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [1,1,0,0,0,0|1,0,1]=4 5345 B12R0.206 CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000718602 [1,1,0,0,0,0|2,0,0]=4 5346 B12R0.206 CCCC[C@H](N)COCCCOC 34a_100011934283_100000740836 [1,1,0,0,0,0|0,1,1]=4 5347 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,1,0,0,0,0|1,0,1]=4 5348 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,1,0,0,0,0|1,0,1]=4 5349 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,1,0,0,0,0|1,0,1]=4 5350 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,1,0,0,0,0|1,0,1]=4 5351 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [1,1,0,0,0,0|1,0,1]=4 5352 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [1,1,0,0,0,0|1,0,1]=4 5353 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [1,1,0,0,0,0|1,0,1]=4 5354 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [1,1,0,0,0,0|1,0,1]=4 5355 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [1,1,0,0,0,0|1,0,1]=4 5356 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [1,1,0,0,0,0|1,0,1]=4 5357 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [1,1,0,0,0,0|1,0,1]=4 5358 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [1,1,0,0,0,0|1,0,1]=4 5359 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [1,1,0,0,0,0|1,0,1]=4 5360 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [1,1,0,0,0,0|1,0,1]=4 5361 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [1,1,0,0,0,0|1,0,1]=4 5362 B12R0.234 CNCCCOCCCCC(C)C 34a_100000213112_100011216152 [1,1,0,0,0,0|1,0,1]=4 5363 B12R0.234 COCCCOCCCCC(C)C 34a_100000740835_100011216152 [1,1,0,0,0,0|0,1,1]=4 5364 B12R0.234 COCCCOCCCCC(C)C 34a_100011214890_100000740836 [1,1,0,0,0,0|0,1,1]=4 5365 B12R0.234 COCCCOCCCCC(C)C 7a_100011214890_100000740836 [1,1,0,0,0,0|0,1,1]=4 5366 B12R0.234 CSCCCCOCCCC(C)C 34a_100011217163_100011214892 [1,1,0,0,0,0|2,0,0]=4 5367 B12R0.234 CSCCCCOCCCC(C)C 7a_100011217163_100011214892 [1,1,0,0,0,0|2,0,0]=4 5368 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [1,1,0,0,0,0|2,0,0]=4 5369 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [1,1,0,0,0,0|2,0,0]=4 5370 B12R0.234 CSCCCNCCCCC(C)C 2230a_100000749238_100011216152 [1,1,0,0,0,0|1,0,1]=4 5371 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [1,1,0,0,0,0|0,0,2]=4 5372 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [1,1,0,0,0,0|0,0,2]=4 5373 B12R0.234 CSCCCOCCCCC(C)C 34a_100000690336_100011216152 [1,1,0,0,0,0|0,0,1]=3 5374 B12R0.234 CSCCCOCCCCC(C)C 7a_100000690336_100011216152 [1,1,0,0,0,0|0,0,1]=3 5375 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [1,1,0,0,0,0|0,1,1]=4 5376 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [1,1,0,0,0,0|1,0,1]=4 5377 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [1,1,0,0,0,0|0,1,1]=4 5378 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [1,1,0,0,0,0|1,0,1]=4 5379 B12R0.248 CCN(C)CCCOCCCSC 7a_100000690336_100015186262 [1,1,0,0,0,0|1,0,1]=4 5380 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [1,1,0,0,0,0|2,0,0]=4 5381 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [1,1,0,0,0,0|2,0,0]=4 5382 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [1,1,0,0,0,0|2,0,0]=4 5383 B12R0.95 CCCCC(=O)NCCCC(C)C 11a_200000737386_100000210183 [1,1,0,0,0,0|2,0,0]=4 5384 B12R0.95 CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210183 [1,1,0,0,0,0|2,0,0]=4 5385 B12R0.95 CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210183 [1,1,0,0,0,0|2,0,0]=4 5386 B12R0.95 CCCCC(=O)NCCCC(C)C 527a_200000737386_100000210183 [1,1,0,0,0,0|2,0,0]=4 5387 B12R0.95 CCCCC(=O)NCCCN(C)C 240690a_102531767803_100000210183 [1,1,0,0,0,0|2,0,0]=4 5388 B12R0.95 CCCCC(=O)NCCCN(C)C 527a_102531767803_100000210183 [1,1,0,0,0,0|2,0,0]=4 5389 B12R0.95 CCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210183 [1,1,0,0,0,0|1,0,1]=4 5390 B12R0.95 CCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210183 [1,1,0,0,0,0|1,0,1]=4 5391 B12R0.95 CCCCC(=O)NCCCS(=O)C 527a_200000753449_100000210183 [1,1,0,0,0,0|1,0,1]=4 5392 B12R0.101 CCCCC(=O)NCC(O)COC 240690a_100000756049_100000210183 [1,1,0,0,0,0|1,1,0]=4 5393 B12R0.101 CCCCC(=O)NCC(O)COC 527a_100000756049_100000210183 [1,1,0,0,0,0|1,1,0]=4 5394 B12R0.101 CCCOC(=O)OCC(=O)CSC 1458a_100000184570_200000139673 [1,1,0,0,0,0|1,0,1]=4 5395 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [1,1,0,0,0,0|2,0,0]=4 5396 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [1,1,0,0,0,0|2,0,0]=4 5397 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [1,1,0,0,0,0|2,0,0]=4 5398 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [1,1,0,0,0,0|2,0,0]=4 5399 B12R0.103 CCCCC(=O)NC(C)CCCC 11a_100000126638_100000210183 [1,1,0,0,0,0|2,0,0]=4 5400 B12R0.103 CCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210183 [1,1,0,0,0,0|2,0,0]=4 5401 B12R0.103 CCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210183 [1,1,0,0,0,0|2,0,0]=4 5402 B12R0.103 CCCCC(=O)NC(C)CCCC 527a_100000126638_100000210183 [1,1,0,0,0,0|2,0,0]=4 5403 B12R0.111 CCCCC(CC)OCCCSC 34a_100000690336_200011216223 [1,1,0,0,0,0|1,0,1]=4 5404 B12R0.111 CCCCC(CC)OCCCSC 7a_100000690336_200011216223 [1,1,0,0,0,0|1,0,1]=4 5405 B12R0.113 CCC(C)CC(=O)CCCCOC 1458a_100000708755_100000755781 [1,1,0,0,0,0|1,1,0]=4 5406 B12R0.113 CCC(C)CC(=O)NCCCOC 1626a_100150723488_100000708755 [1,1,0,0,0,0|1,1,0]=4 5407 B12R0.113 CCC(C)CC(=O)NCCCOC 240690a_100150723488_100000708755 [1,1,0,0,0,0|1,1,0]=4 5408 B12R0.113 CCC(C)CC(=O)NCCCOC 527a_100150723488_100000708755 [1,1,0,0,0,0|1,1,0]=4 5409 B12R0.113 CCC(C)CC(=O)NCCCSC 11a_100000749238_100000708755 [1,1,0,0,0,0|1,0,0]=3 5410 B12R0.113 CCC(C)CC(=O)NCCCSC 1626a_100000749238_100000708755 [1,1,0,0,0,0|1,0,0]=3 5411 B12R0.113 CCC(C)CC(=O)NCCCSC 240690a_100000749238_100000708755 [1,1,0,0,0,0|1,0,0]=3 5412 B12R0.113 CCC(C)CC(=O)NCCCSC 527a_100000749238_100000708755 [1,1,0,0,0,0|1,0,0]=3 5413 B12R0.113 CCC(C)NC(=O)NCCCSC 2708a_100000209981_100000749238 [1,1,0,0,0,0|2,0,0]=4 5414 B12R0.113 CCC(C)NC(=O)NCCCSC 2708a_100000749238_100000209981 [1,1,0,0,0,0|2,0,0]=4 5415 B12R0.113 CCC(C)NC(=O)NCCCSC 273464a_100000209981_100000749238 [1,1,0,0,0,0|2,0,0]=4 5416 B12R0.113 CCC(C)NC(=O)NCCCSC 273464a_100000749238_100000209981 [1,1,0,0,0,0|2,0,0]=4 5417 B12R0.113 CCC(C)NC(=O)NCCCSC 512a_100000209981_100000749238 [1,1,0,0,0,0|2,0,0]=4 5418 B12R0.113 CCC(C)NC(=O)NCCCSC 512a_100000749238_100000209981 [1,1,0,0,0,0|2,0,0]=4 5419 B12R0.113 CCC(O)CC(=O)CCCCOC 1458a_100011667805_100000755781 [1,1,0,0,0,0|1,1,0]=4 5420 B12R0.113 CCC(O)CC(=O)NCCCOC 1626a_100150723488_100011667805 [1,1,0,0,0,0|1,1,0]=4 5421 B12R0.113 CCC(O)CC(=O)NCCCOC 240690a_100150723488_100011667805 [1,1,0,0,0,0|1,1,0]=4 5422 B12R0.113 CCC(O)CC(=O)NCCCSC 1626a_100000749238_100011667805 [1,1,0,0,0,0|1,0,0]=3 5423 B12R0.113 CCC(O)CC(=O)NCCCSC 240690a_100000749238_100011667805 [1,1,0,0,0,0|1,0,0]=3 5424 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [1,1,0,0,0,0|2,0,0]=4 5425 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [1,1,0,0,0,0|2,0,0]=4 5426 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [1,1,0,0,0,0|2,0,0]=4 5427 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [1,1,0,0,0,0|2,0,0]=4 5428 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [1,1,0,0,0,0|2,0,0]=4 5429 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [1,1,0,0,0,0|2,0,0]=4 5430 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [1,1,0,0,0,0|2,0,0]=4 5431 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [1,1,0,0,0,0|2,0,0]=4 5432 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [1,1,0,0,0,0|2,0,0]=4 5433 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [1,1,0,0,0,0|2,0,0]=4 5434 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [1,1,0,0,0,0|2,0,0]=4 5435 B12R0.113 CCN(C)CC(=O)NCCCSC 240690a_100000749238_100116209913 [1,1,0,0,0,0|2,0,0]=4 5436 B12R0.113 CCN(C)CC(=O)NCCCSC 527a_100000749238_100116209913 [1,1,0,0,0,0|2,0,0]=4 5437 B12R0.114 CCCC(C)C(=O)CCCCOC 1458a_100000210906_100000755781 [1,1,0,0,0,0|1,1,0]=4 5438 B12R0.114 CCCC(C)C(=O)NCCCOC 1626a_100150723488_100000210906 [1,1,0,0,0,0|1,1,0]=4 5439 B12R0.114 CCCC(C)C(=O)NCCCOC 240690a_100150723488_100000210906 [1,1,0,0,0,0|1,1,0]=4 5440 B12R0.114 CCCC(C)C(=O)NCCCOC 527a_100150723488_100000210906 [1,1,0,0,0,0|1,1,0]=4 5441 B12R0.114 CCCC(C)C(=O)NCCCSC 11a_100000749238_100000210906 [1,1,0,0,0,0|1,0,0]=3 5442 B12R0.114 CCCC(C)C(=O)NCCCSC 1626a_100000749238_100000210906 [1,1,0,0,0,0|1,0,0]=3 5443 B12R0.114 CCCC(C)C(=O)NCCCSC 240690a_100000749238_100000210906 [1,1,0,0,0,0|1,0,0]=3 5444 B12R0.114 CCCC(C)C(=O)NCCCSC 527a_100000749238_100000210906 [1,1,0,0,0,0|1,0,0]=3 5445 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [1,1,0,0,0,0|2,0,0]=4 5446 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [1,1,0,0,0,0|2,0,0]=4 5447 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [1,1,0,0,0,0|2,0,0]=4 5448 B12R0.114 CCCCCNC(=O)C(C)CCC 11a_100000209983_100000210906 [1,1,0,0,0,0|2,0,0]=4 5449 B12R0.114 CCCCCNC(=O)C(C)CCC 1626a_100000209983_100000210906 [1,1,0,0,0,0|2,0,0]=4 5450 B12R0.114 CCCCCNC(=O)C(C)CCC 240690a_100000209983_100000210906 [1,1,0,0,0,0|2,0,0]=4 5451 B12R0.114 CCCCCNC(=O)C(C)CCC 527a_100000209983_100000210906 [1,1,0,0,0,0|2,0,0]=4 5452 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 240690a_100000209983_100009822183 [1,1,0,0,0,0|2,0,0]=4 5453 B12R0.114 CCCN(C)C(=O)NCCCSC 2708a_100000749238_100000747261 [1,1,0,0,0,0|2,0,0]=4 5454 B12R0.114 CCCN(C)C(=O)NCCCSC 273464a_100000749238_100000747261 [1,1,0,0,0,0|2,0,0]=4 5455 B12R0.114 CCC[C@H](O)C(=O)CCCCOC 1458a_100009822183_100000755781 [1,1,0,0,0,0|1,1,0]=4 5456 B12R0.114 CCC[C@H](O)C(=O)NCCCOC 240690a_100150723488_100009822183 [1,1,0,0,0,0|1,1,0]=4 5457 B12R0.114 CCC[C@H](O)C(=O)NCCCSC 240690a_100000749238_100009822183 [1,1,0,0,0,0|1,0,0]=3 5458 B12R0.114 CCOC(C)C(=O)NCCCSC 11a_100000749238_100000739345 [1,1,0,0,0,0|2,0,0]=4 5459 B12R0.114 CCOC(C)C(=O)NCCCSC 1626a_100000749238_100000739345 [1,1,0,0,0,0|2,0,0]=4 5460 B12R0.114 CCOC(C)C(=O)NCCCSC 240690a_100000749238_100000739345 [1,1,0,0,0,0|2,0,0]=4 5461 B12R0.114 CCOC(C)C(=O)NCCCSC 527a_100000749238_100000739345 [1,1,0,0,0,0|2,0,0]=4 5462 B12R0.114 CCSC(C)C(=O)NCCCSC 11a_100000749238_100000230601 [1,1,0,0,0,0|2,0,0]=4 5463 B12R0.114 CCSC(C)C(=O)NCCCSC 1626a_100000749238_100000230601 [1,1,0,0,0,0|2,0,0]=4 5464 B12R0.114 CCSC(C)C(=O)NCCCSC 240690a_100000749238_100000230601 [1,1,0,0,0,0|2,0,0]=4 5465 B12R0.114 CCSC(C)C(=O)NCCCSC 527a_100000749238_100000230601 [1,1,0,0,0,0|2,0,0]=4 5466 B12R0.114 COCC(C)C(=O)NCCCSC 11a_100000749238_100000751857 [1,1,0,0,0,0|2,0,0]=4 5467 B12R0.114 COCC(C)C(=O)NCCCSC 1626a_100000749238_100000751857 [1,1,0,0,0,0|2,0,0]=4 5468 B12R0.114 COCC(C)C(=O)NCCCSC 240690a_100000749238_100000751857 [1,1,0,0,0,0|2,0,0]=4 5469 B12R0.114 COCC(C)C(=O)NCCCSC 527a_100000749238_100000751857 [1,1,0,0,0,0|2,0,0]=4 5470 B12R0.114 CSCCCNC(=O)C(C)CSC 11a_100000749238_100000753918 [1,1,0,0,0,0|2,0,0]=4 5471 B12R0.114 CSCCCNC(=O)C(C)CSC 1626a_100000749238_100000753918 [1,1,0,0,0,0|2,0,0]=4 5472 B12R0.114 CSCCCNC(=O)C(C)CSC 240690a_100000749238_100000753918 [1,1,0,0,0,0|2,0,0]=4 5473 B12R0.114 CSCCCNC(=O)C(C)CSC 527a_100000749238_100000753918 [1,1,0,0,0,0|2,0,0]=4 5474 B12R0.255 C=C(C)CCC(=O)NCCCSC 11a_100000749238_200000688413 [1,1,0,0,0,0|1,0,1]=4 5475 B12R0.255 C=C(C)CCC(=O)NCCCSC 1626a_100000749238_200000688413 [1,1,0,0,0,0|1,0,1]=4 5476 B12R0.255 C=C(C)CCC(=O)NCCCSC 240690a_100000749238_200000688413 [1,1,0,0,0,0|1,0,1]=4 5477 B12R0.255 C=C(C)CCC(=O)NCCCSC 527a_100000749238_200000688413 [1,1,0,0,0,0|1,0,1]=4 5478 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [1,1,0,0,0,0|2,0,0]=4 5479 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [1,1,0,0,0,0|2,0,0]=4 5480 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [1,1,0,0,0,0|2,0,0]=4 5481 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [1,1,0,0,0,0|2,0,0]=4 5482 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [1,1,0,0,0,0|2,0,0]=4 5483 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [1,1,0,0,0,0|2,0,0]=4 5484 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [1,1,0,0,0,0|2,0,0]=4 5485 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [1,1,0,0,0,0|2,0,0]=4 5486 B12R0.255 COCCCCC(=O)CCC(C)C 1458a_100000181311_100000755781 [1,1,0,0,0,0|1,1,0]=4 5487 B12R0.255 COCCCNC(=O)CCC(C)C 1626a_100150723488_100000181311 [1,1,0,0,0,0|1,1,0]=4 5488 B12R0.255 COCCCNC(=O)CCC(C)C 240690a_100150723488_100000181311 [1,1,0,0,0,0|1,1,0]=4 5489 B12R0.255 COCCCNC(=O)CCC(C)C 527a_100150723488_100000181311 [1,1,0,0,0,0|1,1,0]=4 5490 B12R0.255 COCCCNC(=O)CCC(C)O 1626a_100150723488_100000718519 [1,1,0,0,0,0|1,1,0]=4 5491 B12R0.255 CSCCCNC(=O)CCC(C)C 11a_100000749238_100000181311 [1,1,0,0,0,0|1,0,0]=3 5492 B12R0.255 CSCCCNC(=O)CCC(C)C 1626a_100000749238_100000181311 [1,1,0,0,0,0|1,0,0]=3 5493 B12R0.255 CSCCCNC(=O)CCC(C)C 240690a_100000749238_100000181311 [1,1,0,0,0,0|1,0,0]=3 5494 B12R0.255 CSCCCNC(=O)CCC(C)C 527a_100000749238_100000181311 [1,1,0,0,0,0|1,0,0]=3 5495 B12R0.255 CSCCCNC(=O)CCC(C)O 1626a_100000749238_100000718519 [1,1,0,0,0,0|1,0,0]=3 5496 B12R0.255 CSCCCNC(=O)CCN(C)C 11a_100000749238_100000689311 [1,1,0,0,0,0|2,0,0]=4 5497 B12R0.255 CSCCCNC(=O)CCN(C)C 240690a_100000749238_100000689311 [1,1,0,0,0,0|2,0,0]=4 5498 B12R0.255 CSCCCNC(=O)CCN(C)C 527a_100000749238_100000689311 [1,1,0,0,0,0|2,0,0]=4 5499 B12R0.255 CSCCCNC(=O)CC[S+](C)C 11a_100000749238_100009452791 [1,1,0,0,0,0|2,0,0]=4 5500 B12R0.255 CSCCCNC(=O)CC[S+](C)C 1626a_100000749238_100009452791 [1,1,0,0,0,0|2,0,0]=4 5501 B12R0.255 CSCCCNC(=O)CC[S+](C)C 240690a_100000749238_100009452791 [1,1,0,0,0,0|2,0,0]=4 5502 B12R0.255 CSCCCNC(=O)COC(C)C 11a_100000749238_100000745533 [1,1,0,0,0,0|2,0,0]=4 5503 B12R0.255 CSCCCNC(=O)COC(C)C 1626a_100000749238_100000745533 [1,1,0,0,0,0|2,0,0]=4 5504 B12R0.255 CSCCCNC(=O)COC(C)C 240690a_100000749238_100000745533 [1,1,0,0,0,0|2,0,0]=4 5505 B12R0.255 CSCCCNC(=O)COC(C)C 527a_100000749238_100000745533 [1,1,0,0,0,0|2,0,0]=4 5506 B12R0.255 CSCCCNC(=O)CSC(C)C 11a_100000749238_100000241585 [1,1,0,0,0,0|2,0,0]=4 5507 B12R0.255 CSCCCNC(=O)CSC(C)C 1626a_100000749238_100000241585 [1,1,0,0,0,0|2,0,0]=4 5508 B12R0.255 CSCCCNC(=O)CSC(C)C 240690a_100000749238_100000241585 [1,1,0,0,0,0|2,0,0]=4 5509 B12R0.255 CSCCCNC(=O)CSC(C)C 527a_100000749238_100000241585 [1,1,0,0,0,0|2,0,0]=4 5510 B12R0.255 CSCCCNC(=O)NCC(C)C 2708a_100000210953_100000749238 [1,1,0,0,0,0|2,0,0]=4 5511 B12R0.255 CSCCCNC(=O)NCC(C)C 2708a_100000749238_100000210953 [1,1,0,0,0,0|2,0,0]=4 5512 B12R0.255 CSCCCNC(=O)NCC(C)C 273464a_100000210953_100000749238 [1,1,0,0,0,0|2,0,0]=4 5513 B12R0.255 CSCCCNC(=O)NCC(C)C 273464a_100000749238_100000210953 [1,1,0,0,0,0|2,0,0]=4 5514 B12R0.255 CSCCCNC(=O)NCC(C)C 512a_100000210953_100000749238 [1,1,0,0,0,0|2,0,0]=4 5515 B12R0.255 CSCCCNC(=O)NCC(C)C 512a_100000749238_100000210953 [1,1,0,0,0,0|2,0,0]=4 5516 B12R0.255 CSCCCNC(=O)NCC(C)O 2708a_100000749238_100000210904 [1,1,0,0,0,0|2,0,0]=4 5517 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000210904_100000749238 [1,1,0,0,0,0|2,0,0]=4 5518 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000749238_100000210904 [1,1,0,0,0,0|2,0,0]=4 5519 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000210904_100000749238 [1,1,0,0,0,0|2,0,0]=4 5520 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000749238_100000210904 [1,1,0,0,0,0|2,0,0]=4 5521 B12R0.255 CSCCCOC(C)CCC(C)C 34a_100000690336_100011261404 [1,1,0,0,0,0|1,0,1]=4 5522 B12R0.585 CCCCS(=O)(=O)NCCCSC 270084a_100000749238_100000212082 [1,1,0,0,0,0|2,0,0]=4 5523 B12R0.585 CCCCS(=O)(=O)NCCCSC 274078a_100000749238_100000212082 [1,1,0,0,0,0|2,0,0]=4 5524 B12R0.585 CCCCS(=O)(=O)NCCCSC 40a_100000749238_100000054263 [1,1,0,0,0,0|2,0,0]=4 5525 B12R0.648 CCCCC(=O)N(C)CCCOC 11a_100000224831_100000210183 [1,1,0,0,0,0|1,1,0]=4 5526 B12R0.648 CCCCC(=O)N(C)CCCOC 1626a_100000224831_100000210183 [1,1,0,0,0,0|1,1,0]=4 5527 B12R0.648 CCCCC(=O)N(C)CCCOC 240690a_100000224831_100000210183 [1,1,0,0,0,0|1,1,0]=4 5528 B12R0.648 CCCCC(=O)N(C)CCCOC 527a_100000224831_100000210183 [1,1,0,0,0,0|1,1,0]=4 5529 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [1,1,0,0,0,0|2,0,0]=4 5530 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [1,1,0,0,0,0|2,0,0]=4 5531 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [1,1,0,0,0,0|2,0,0]=4 5532 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [1,1,0,0,0,0|2,0,0]=4 5533 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [1,1,0,0,0,0|2,0,0]=4 5534 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [1,1,0,0,0,0|2,0,0]=4 5535 B12R0.117 C#CC(CCCCC)OCCCC 34a_100011216489_100000210210 [1,1,0,0,0,0|1,0,1]=4 5536 B12R0.117 C#CC(CCCCC)OCCCC 7a_100011216489_100000210211 [1,1,0,0,0,0|1,0,1]=4 5537 B12R0.117 C#CC(CCCCC)OCCSC 34a_100011216489_100000212216 [1,1,0,0,0,0|1,0,1]=4 5538 B12R0.117 C#CC(CCCCC)OCCSC 7a_100011216489_100000212216 [1,1,0,0,0,0|1,0,1]=4 5539 B12R0.117 C=CC(CCCCC)OCCCC 34a_100011216863_100000210210 [1,1,0,0,0,0|1,0,1]=4 5540 B12R0.117 C=CC(CCCCC)OCCCC 7a_100011216863_100000210211 [1,1,0,0,0,0|1,0,1]=4 5541 B12R0.117 C=CC(CCCCC)OCCSC 34a_100011216863_100000212216 [1,1,0,0,0,0|1,0,1]=4 5542 B12R0.117 C=CC(CCCCC)OCCSC 7a_100011216863_100000212216 [1,1,0,0,0,0|1,0,1]=4 5543 B12R0.117 CCCCCC(CC)OCCCC 34a_100011215405_100000210210 [1,1,0,0,0,0|1,0,1]=4 5544 B12R0.117 CCCCCC(CC)OCCCC 7a_100011215405_100000210211 [1,1,0,0,0,0|1,0,1]=4 5545 B12R0.117 CCCCCC(CC)OCCSC 34a_100011215405_100000212216 [1,1,0,0,0,0|1,0,1]=4 5546 B12R0.117 CCCCCC(CC)OCCSC 7a_100011215405_100000212216 [1,1,0,0,0,0|1,0,1]=4 5547 B12R0.142 C#CCCCC(=O)CCC(C)CC 1458a_100000701222_100000731252 [1,1,0,0,0,0|1,0,1]=4 5548 B12R0.142 C=CCCCC(=O)CCC(C)CC 1458a_100000701222_100000757094 [1,1,0,0,0,0|1,0,1]=4 5549 B12R0.142 CCC(C)CCC(=O)CCCC#N 1458a_100000701222_100000211468 [1,1,0,0,0,0|2,0,0]=4 5550 B12R0.142 CCC(C)CCC(=O)CCCCF 1458a_100000701222_100000729493 [1,1,0,0,0,0|2,0,0]=4 5551 B12R0.142 CCC(C)CCC(=O)CCCCO 1458a_100000701222_100000210776 [1,1,0,0,0,0|1,1,0]=4 5552 B12R0.142 CCC(C)CCC(=O)CCCOC 1458a_100000701222_100000740836 [1,1,0,0,0,0|0,1,0]=3 5553 B12R0.142 CCC(C)CCC(=O)NCCCF 11a_100015189416_100000701222 [1,1,0,0,0,0|2,0,0]=4 5554 B12R0.142 CCC(C)CCC(=O)NCCCF 1626a_100015189416_100000701222 [1,1,0,0,0,0|2,0,0]=4 5555 B12R0.142 CCC(C)CCC(=O)NCCCF 240690a_100015189416_100000701222 [1,1,0,0,0,0|2,0,0]=4 5556 B12R0.142 CCC(C)CCC(=O)NCCCF 527a_100015189416_100000701222 [1,1,0,0,0,0|2,0,0]=4 5557 B12R0.142 CCC(C)CCC(=O)NCCCO 240690a_100000182051_100000701222 [1,1,0,0,0,0|1,1,0]=4 5558 B12R0.142 CCC(C)CCC(=O)NCCCO 527a_100000182051_100000701222 [1,1,0,0,0,0|1,1,0]=4 5559 B12R0.142 CCC(C)CCC(=O)NCCOC 1626a_100000209980_100000701222 [1,1,0,0,0,0|1,1,0]=4 5560 B12R0.142 CCC(C)CCC(=O)NCCOC 240690a_100000209980_100000701222 [1,1,0,0,0,0|1,1,0]=4 5561 B12R0.142 CCC(C)CCC(=O)NCCOC 527a_100000209980_100000701222 [1,1,0,0,0,0|1,1,0]=4 5562 B12R0.142 CCC(C)CCC(=O)NCCSC 11a_100020590264_100000701222 [1,1,0,0,0,0|1,0,0]=3 5563 B12R0.142 CCC(C)CCC(=O)NCCSC 1626a_100020590264_100000701222 [1,1,0,0,0,0|1,0,0]=3 5564 B12R0.142 CCC(C)CCC(=O)NCCSC 240690a_100020590264_100000701222 [1,1,0,0,0,0|1,0,0]=3 5565 B12R0.142 CCC(C)CCC(=O)NCCSC 527a_100020590264_100000701222 [1,1,0,0,0,0|1,0,0]=3 5566 B12R0.142 CCC(C)CCC(C)OCCSC 7a_200011216552_100000212216 [1,1,0,0,0,0|1,0,1]=4 5567 B12R0.142 CCC(C)CNC(=O)CCCCO 1626a_100020588543_100000695505 [1,1,0,0,0,0|2,0,0]=4 5568 B12R0.142 CCC(C)CNC(=O)CCCOC 11a_100020588543_100000741012 [1,1,0,0,0,0|1,1,0]=4 5569 B12R0.142 CCC(C)CNC(=O)CCCOC 1626a_100020588543_100000741012 [1,1,0,0,0,0|1,1,0]=4 5570 B12R0.142 CCC(C)CNC(=O)CCCOC 240690a_100020588543_100000741012 [1,1,0,0,0,0|1,1,0]=4 5571 B12R0.142 CCC(C)CNC(=O)CCCOC 527a_100020588543_100000741012 [1,1,0,0,0,0|1,1,0]=4 5572 B12R0.142 CCC(C)CNC(=O)CCCSC 11a_100020588543_100000173376 [1,1,0,0,0,0|1,0,0]=3 5573 B12R0.142 CCC(C)CNC(=O)CCCSC 1626a_100020588543_100000173376 [1,1,0,0,0,0|1,0,0]=3 5574 B12R0.142 CCC(C)CNC(=O)CCCSC 240690a_100020588543_100000173376 [1,1,0,0,0,0|1,0,0]=3 5575 B12R0.142 CCC(C)CNC(=O)CCCSC 527a_100020588543_100000173376 [1,1,0,0,0,0|1,0,0]=3 5576 B12R0.142 CCC(C)CNC(=O)NCCSC 2708a_100020588543_100020590264 [1,1,0,0,0,0|2,0,0]=4 5577 B12R0.142 CCC(C)CNC(=O)NCCSC 2708a_100020590264_100020588543 [1,1,0,0,0,0|2,0,0]=4 5578 B12R0.142 CCC(C)CNC(=O)NCCSC 273464a_100020588543_100020590264 [1,1,0,0,0,0|2,0,0]=4 5579 B12R0.142 CCC(C)CNC(=O)NCCSC 273464a_100020590264_100020588543 [1,1,0,0,0,0|2,0,0]=4 5580 B12R0.142 CCC(C)CNC(=O)NCCSC 512a_100020588543_100020590264 [1,1,0,0,0,0|2,0,0]=4 5581 B12R0.142 CCC(C)CNC(=O)NCCSC 512a_100020590264_100020588543 [1,1,0,0,0,0|2,0,0]=4 5582 B12R0.142 CCC(C)NCC(=O)OCCOC 2230a_100000209981_200000040189 [1,1,0,0,0,0|1,1,0]=4 5583 B12R0.142 CCC(C)NNC(=O)CCCSC 22a_100000718999_100000173376 [1,1,0,0,0,0|2,0,0]=4 5584 B12R0.142 CCC(C)OCC(=O)OCCOC 7a_100000210228_200000040189 [1,1,0,0,0,0|1,1,0]=4 5585 B12R0.142 CCC(C)SCC(=O)OCCOC 62a_100000758301_200000040189 [1,1,0,0,0,0|1,1,0]=4 5586 B12R0.142 CCC(C)SCC(=O)OCCOC 62a_200000040189_100000758301 [1,1,0,0,0,0|1,1,0]=4 5587 B12R0.142 CCC(O)CCC(=O)NCCCF 1626a_100015189416_203496584001 [1,1,0,0,0,0|2,0,0]=4 5588 B12R0.142 CCC(O)CCC(=O)NCCCF 240690a_100015189416_203496584001 [1,1,0,0,0,0|2,0,0]=4 5589 B12R0.142 CCC(O)CCC(=O)NCCCO 240690a_100000182051_203496584001 [1,1,0,0,0,0|1,1,0]=4 5590 B12R0.142 CCC(O)CCC(=O)NCCOC 1626a_100000209980_203496584001 [1,1,0,0,0,0|1,1,0]=4 5591 B12R0.142 CCC(O)CCC(=O)NCCOC 240690a_100000209980_203496584001 [1,1,0,0,0,0|1,1,0]=4 5592 B12R0.142 CCC(O)CCC(=O)NCCSC 1626a_100020590264_203496584001 [1,1,0,0,0,0|1,0,0]=3 5593 B12R0.142 CCC(O)CCC(=O)NCCSC 240690a_100020590264_203496584001 [1,1,0,0,0,0|1,0,0]=3 5594 B12R0.142 CCC(O)CNC(=O)CCCOC 11a_100011218483_100000741012 [1,1,0,0,0,0|1,1,0]=4 5595 B12R0.142 CCC(O)CNC(=O)CCCOC 240690a_100011218483_100000741012 [1,1,0,0,0,0|1,1,0]=4 5596 B12R0.142 CCC(O)CNC(=O)CCCOC 527a_100011218483_100000741012 [1,1,0,0,0,0|1,1,0]=4 5597 B12R0.142 CCC(O)CNC(=O)CCCSC 11a_100011218483_100000173376 [1,1,0,0,0,0|1,0,0]=3 5598 B12R0.142 CCC(O)CNC(=O)CCCSC 240690a_100011218483_100000173376 [1,1,0,0,0,0|1,0,0]=3 5599 B12R0.142 CCC(O)CNC(=O)CCCSC 527a_100011218483_100000173376 [1,1,0,0,0,0|1,0,0]=3 5600 B12R0.142 CCC(O)CNC(=O)NCCSC 2708a_100020590264_100011218483 [1,1,0,0,0,0|2,0,0]=4 5601 B12R0.142 CCC(O)CNC(=O)NCCSC 273464a_100011218483_100020590264 [1,1,0,0,0,0|2,0,0]=4 5602 B12R0.142 CCC(O)CNC(=O)NCCSC 273464a_100020590264_100011218483 [1,1,0,0,0,0|2,0,0]=4 5603 B12R0.142 CCC(O)CNC(=O)NCCSC 512a_100011218483_100020590264 [1,1,0,0,0,0|2,0,0]=4 5604 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [1,1,0,0,0,0|1,0,1]=4 5605 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [1,1,0,0,0,0|0,1,1]=4 5606 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [1,1,0,0,0,0|1,0,0]=3 5607 B12R0.142 CCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210326 [1,1,0,0,0,0|2,0,0]=4 5608 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [1,1,0,0,0,0|2,0,0]=4 5609 B12R0.142 CCCCCC(=O)CNC(C)CC 2230a_100000209981_200012276598 [1,1,0,0,0,0|2,0,0]=4 5610 B12R0.142 CCCCCC(=O)COC(C)CC 7a_100000210228_200012276598 [1,1,0,0,0,0|2,0,0]=4 5611 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_100000758301_200012276598 [1,1,0,0,0,0|2,0,0]=4 5612 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_200012276598_100000758301 [1,1,0,0,0,0|2,0,0]=4 5613 B12R0.142 CCCCCC(=O)CSC(C)OC 62a_100009879195_200012276598 [1,1,0,0,0,0|1,1,0]=4 5614 B12R0.142 CCCCCC(=O)CSC(C)OC 62a_200012276598_100009879195 [1,1,0,0,0,0|1,1,0]=4 5615 B12R0.142 CCCCCC(=O)NCC(C)CC 11a_100020588543_100000212188 [1,1,0,0,0,0|1,0,0]=3 5616 B12R0.142 CCCCCC(=O)NCC(C)CC 1626a_100020588543_100000212188 [1,1,0,0,0,0|1,0,0]=3 5617 B12R0.142 CCCCCC(=O)NCC(C)CC 240690a_100020588543_100000212188 [1,1,0,0,0,0|1,0,0]=3 5618 B12R0.142 CCCCCC(=O)NCC(C)CC 527a_100020588543_100000212188 [1,1,0,0,0,0|1,0,0]=3 5619 B12R0.142 CCCCCC(=O)NCC(C)CO 240690a_100000744482_100000212188 [1,1,0,0,0,0|1,1,0]=4 5620 B12R0.142 CCCCCC(=O)NCC(C)CO 527a_100000744482_100000212188 [1,1,0,0,0,0|1,1,0]=4 5621 B12R0.142 CCCCCC(=O)NCC(O)CC 11a_100011218483_100000212188 [1,1,0,0,0,0|1,0,0]=3 5622 B12R0.142 CCCCCC(=O)NCC(O)CC 240690a_100011218483_100000212188 [1,1,0,0,0,0|1,0,0]=3 5623 B12R0.142 CCCCCC(=O)NCC(O)CC 527a_100011218483_100000212188 [1,1,0,0,0,0|1,0,0]=3 5624 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000212188 [1,1,0,0,0,0|1,1,0]=4 5625 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000212188 [1,1,0,0,0,0|1,1,0]=4 5626 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000212188 [1,1,0,0,0,0|1,1,0]=4 5627 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000212188 [1,1,0,0,0,0|1,1,0]=4 5628 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000212188 [1,1,0,0,0,0|1,1,0]=4 5629 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000212188 [1,1,0,0,0,0|1,1,0]=4 5630 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000212188 [1,1,0,0,0,0|1,1,0]=4 5631 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000212188 [1,1,0,0,0,0|1,1,0]=4 5632 B12R0.142 CCCCCC(=O)NNC(C)CC 22a_100000718999_100000212188 [1,1,0,0,0,0|2,0,0]=4 5633 B12R0.142 CCCCCC(C)OCC(C)CC 34a_100011215632_100000748023 [1,1,0,0,0,0|1,0,1]=4 5634 B12R0.142 CCCCCC(C)OCC(C)CC 7a_100011215632_100000748023 [1,1,0,0,0,0|1,0,1]=4 5635 B12R0.142 CCCCCC(C)OCC(O)CC 34a_100011215632_100011218378 [1,1,0,0,0,0|1,0,1]=4 5636 B12R0.142 CCCCCC(C)OCC(O)CC 7a_100011215632_100011218378 [1,1,0,0,0,0|1,0,1]=4 5637 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 34a_100011215632_100009816398 [1,1,0,0,0,0|1,0,1]=4 5638 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011218191 [1,1,0,0,0,0|1,0,1]=4 5639 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100011215632_100009816398 [1,1,0,0,0,0|1,0,1]=4 5640 B12R0.142 CCCCNC(=O)CCC(C)CC 11a_100000102301_100000701222 [1,1,0,0,0,0|1,0,0]=3 5641 B12R0.142 CCCCNC(=O)CCC(C)CC 1626a_100000102301_100000701222 [1,1,0,0,0,0|1,0,0]=3 5642 B12R0.142 CCCCNC(=O)CCC(C)CC 240690a_100000102301_100000701222 [1,1,0,0,0,0|1,0,0]=3 5643 B12R0.142 CCCCNC(=O)CCC(C)CC 527a_100000102301_100000701222 [1,1,0,0,0,0|1,0,0]=3 5644 B12R0.142 CCCCNC(=O)CCC(O)CC 1626a_100000102301_203496584001 [1,1,0,0,0,0|1,0,0]=3 5645 B12R0.142 CCCCNC(=O)CCC(O)CC 240690a_100000102301_203496584001 [1,1,0,0,0,0|1,0,0]=3 5646 B12R0.142 CCCCNC(=O)CCN(C)CC 240690a_100000102301_100000755305 [1,1,0,0,0,0|2,0,0]=4 5647 B12R0.142 CCCCNC(=O)CCS(=O)CC 11a_100000102301_100011387550 [1,1,0,0,0,0|2,0,0]=4 5648 B12R0.142 CCCCNC(=O)CCS(=O)CC 1626a_100000102301_100011387550 [1,1,0,0,0,0|2,0,0]=4 5649 B12R0.142 CCCCNC(=O)CCS(=O)CC 240690a_100000102301_100011387550 [1,1,0,0,0,0|2,0,0]=4 5650 B12R0.142 CCCCNC(=O)CCS(=O)CC 527a_100000102301_100011387550 [1,1,0,0,0,0|2,0,0]=4 5651 B12R0.142 CCCCNC(=O)CNC(C)CC 2230a_100000209981_100000182744 [1,1,0,0,0,0|2,0,0]=4 5652 B12R0.142 CCCCNC(=O)COC(C)CC 7a_100000210228_100000182744 [1,1,0,0,0,0|2,0,0]=4 5653 B12R0.142 CCCCNC(=O)CSC(C)CC 62a_100000182744_100000758301 [1,1,0,0,0,0|2,0,0]=4 5654 B12R0.142 CCCCNC(=O)CSC(C)CC 62a_100000758301_100000182744 [1,1,0,0,0,0|2,0,0]=4 5655 B12R0.142 CCCCNC(=O)NCC(C)CC 2708a_100000102301_100020588543 [1,1,0,0,0,0|2,0,0]=4 5656 B12R0.142 CCCCNC(=O)NCC(C)CC 2708a_100020588543_100000102301 [1,1,0,0,0,0|2,0,0]=4 5657 B12R0.142 CCCCNC(=O)NCC(C)CC 273464a_100000102301_100020588543 [1,1,0,0,0,0|2,0,0]=4 5658 B12R0.142 CCCCNC(=O)NCC(C)CC 273464a_100020588543_100000102301 [1,1,0,0,0,0|2,0,0]=4 5659 B12R0.142 CCCCNC(=O)NCC(C)CC 512a_100000102301_100020588543 [1,1,0,0,0,0|2,0,0]=4 5660 B12R0.142 CCCCNC(=O)NCC(C)CC 512a_100020588543_100000102301 [1,1,0,0,0,0|2,0,0]=4 5661 B12R0.142 CCCCNC(=O)NCC(O)CC 2708a_100000102301_100011218483 [1,1,0,0,0,0|2,0,0]=4 5662 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100000102301_100011218483 [1,1,0,0,0,0|2,0,0]=4 5663 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100011218483_100000102301 [1,1,0,0,0,0|2,0,0]=4 5664 B12R0.142 CCCCNC(=O)NCC(O)CC 512a_100011218483_100000102301 [1,1,0,0,0,0|2,0,0]=4 5665 B12R0.142 CCCCOC(=O)CNC(C)CC 2230a_100000209981_100000211628 [1,1,0,0,0,0|1,0,0]=3 5666 B12R0.142 CCCCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000211628 [1,1,0,0,0,0|2,0,0]=4 5667 B12R0.142 CCCCOC(=O)COC(C)CC 7a_100000210228_100000211628 [1,1,0,0,0,0|1,0,0]=3 5668 B12R0.142 CCCCOC(=O)COC(C)CF 34a_100016041109_100000211628 [1,1,0,0,0,0|2,0,0]=4 5669 B12R0.142 CCCCOC(=O)COC(C)CF 7a_100016041109_100000211628 [1,1,0,0,0,0|2,0,0]=4 5670 B12R0.142 CCCCOC(=O)COC(C)CN 34a_100000210904_100000211628 [1,1,0,0,0,0|2,0,0]=4 5671 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000211628_100000758301 [1,1,0,0,0,0|1,0,0]=3 5672 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000758301_100000211628 [1,1,0,0,0,0|1,0,0]=3 5673 B12R0.142 CCCCOC(=O)CSC(C)CO 62a_100012180447_100000211628 [1,1,0,0,0,0|2,0,0]=4 5674 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100000211628_100009879195 [1,1,0,0,0,0|2,0,0]=4 5675 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100009879195_100000211628 [1,1,0,0,0,0|2,0,0]=4 5676 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100000211628_100016084084 [1,1,0,0,0,0|2,0,0]=4 5677 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100016084084_100000211628 [1,1,0,0,0,0|2,0,0]=4 5678 B12R0.142 CCCCOC(C)CCC(C)CC 7a_200011216552_100000210211 [1,1,0,0,0,0|1,0,1]=4 5679 B12R0.142 CCCNNC(=O)CCC(C)CC 22a_100000740057_100000701222 [1,1,0,0,0,0|2,0,0]=4 5680 B12R0.142 CCCNNC(=O)CCC(O)CC 22a_100000740057_203496584001 [1,1,0,0,0,0|2,0,0]=4 5681 B12R0.142 CCCOCC(=O)NCC(C)CC 11a_100020588543_100000745993 [1,1,0,0,0,0|2,0,0]=4 5682 B12R0.142 CCCOCC(=O)NCC(C)CC 1626a_100020588543_100000745993 [1,1,0,0,0,0|2,0,0]=4 5683 B12R0.142 CCCOCC(=O)NCC(C)CC 240690a_100020588543_100000745993 [1,1,0,0,0,0|2,0,0]=4 5684 B12R0.142 CCCOCC(=O)NCC(C)CC 527a_100020588543_100000745993 [1,1,0,0,0,0|2,0,0]=4 5685 B12R0.142 CCCOCC(=O)NCC(O)CC 11a_100011218483_100000745993 [1,1,0,0,0,0|2,0,0]=4 5686 B12R0.142 CCCOCC(=O)NCC(O)CC 240690a_100011218483_100000745993 [1,1,0,0,0,0|2,0,0]=4 5687 B12R0.142 CCCOCC(=O)NCC(O)CC 527a_100011218483_100000745993 [1,1,0,0,0,0|2,0,0]=4 5688 B12R0.142 CCCSCC(=O)NCC(C)CC 11a_100020588543_100000217233 [1,1,0,0,0,0|2,0,0]=4 5689 B12R0.142 CCCSCC(=O)NCC(C)CC 1626a_100020588543_100000217233 [1,1,0,0,0,0|2,0,0]=4 5690 B12R0.142 CCCSCC(=O)NCC(C)CC 240690a_100020588543_100000217233 [1,1,0,0,0,0|2,0,0]=4 5691 B12R0.142 CCCSCC(=O)NCC(C)CC 527a_100020588543_100000217233 [1,1,0,0,0,0|2,0,0]=4 5692 B12R0.142 CCCSCC(=O)NCC(O)CC 11a_100011218483_100000217233 [1,1,0,0,0,0|2,0,0]=4 5693 B12R0.142 CCCSCC(=O)NCC(O)CC 240690a_100011218483_100000217233 [1,1,0,0,0,0|2,0,0]=4 5694 B12R0.142 CCCSCC(=O)NCC(O)CC 527a_100011218483_100000217233 [1,1,0,0,0,0|2,0,0]=4 5695 B12R0.142 CCN(C)CCC(=O)CCCOC 1458a_100000755305_100000740836 [1,1,0,0,0,0|1,1,0]=4 5696 B12R0.142 CCN(C)CCC(=O)NCCSC 240690a_100020590264_100000755305 [1,1,0,0,0,0|2,0,0]=4 5697 B12R0.142 CCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215890 [1,1,0,0,0,0|2,0,0]=4 5698 B12R0.142 CCOCCC(=O)NCC(C)CC 11a_100020588543_100000749530 [1,1,0,0,0,0|2,0,0]=4 5699 B12R0.142 CCOCCC(=O)NCC(C)CC 1626a_100020588543_100000749530 [1,1,0,0,0,0|2,0,0]=4 5700 B12R0.142 CCOCCC(=O)NCC(C)CC 240690a_100020588543_100000749530 [1,1,0,0,0,0|2,0,0]=4 5701 B12R0.142 CCOCCC(=O)NCC(C)CC 527a_100020588543_100000749530 [1,1,0,0,0,0|2,0,0]=4 5702 B12R0.142 CCOCCC(=O)NCC(O)CC 11a_100011218483_100000749530 [1,1,0,0,0,0|2,0,0]=4 5703 B12R0.142 CCOCCC(=O)NCC(O)CC 240690a_100011218483_100000749530 [1,1,0,0,0,0|2,0,0]=4 5704 B12R0.142 CCOCCC(=O)NCC(O)CC 527a_100011218483_100000749530 [1,1,0,0,0,0|2,0,0]=4 5705 B12R0.142 CCS(=O)CCC(=O)CCCOC 1458a_100011387550_100000740836 [1,1,0,0,0,0|1,1,0]=4 5706 B12R0.142 CCS(=O)CCC(=O)NCCSC 11a_100020590264_100011387550 [1,1,0,0,0,0|2,0,0]=4 5707 B12R0.142 CCS(=O)CCC(=O)NCCSC 1626a_100020590264_100011387550 [1,1,0,0,0,0|2,0,0]=4 5708 B12R0.142 CCS(=O)CCC(=O)NCCSC 240690a_100020590264_100011387550 [1,1,0,0,0,0|2,0,0]=4 5709 B12R0.142 CCS(=O)CCC(=O)NCCSC 527a_100020590264_100011387550 [1,1,0,0,0,0|2,0,0]=4 5710 B12R0.142 CCSCCC(=O)CCC(C)CC 1458a_100000701222_100000757381 [1,1,0,0,0,0|2,0,0]=4 5711 B12R0.142 CCSCCC(=O)NCC(C)CC 11a_100020588543_100000230768 [1,1,0,0,0,0|2,0,0]=4 5712 B12R0.142 CCSCCC(=O)NCC(C)CC 1626a_100020588543_100000230768 [1,1,0,0,0,0|2,0,0]=4 5713 B12R0.142 CCSCCC(=O)NCC(C)CC 240690a_100020588543_100000230768 [1,1,0,0,0,0|2,0,0]=4 5714 B12R0.142 CCSCCC(=O)NCC(C)CC 527a_100020588543_100000230768 [1,1,0,0,0,0|2,0,0]=4 5715 B12R0.142 CCSCCC(=O)NCC(O)CC 11a_100011218483_100000230768 [1,1,0,0,0,0|2,0,0]=4 5716 B12R0.142 CCSCCC(=O)NCC(O)CC 240690a_100011218483_100000230768 [1,1,0,0,0,0|2,0,0]=4 5717 B12R0.142 CCSCCC(=O)NCC(O)CC 527a_100011218483_100000230768 [1,1,0,0,0,0|2,0,0]=4 5718 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 11a_100020591295_100000173376 [1,1,0,0,0,0|2,0,0]=4 5719 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 1626a_100020591295_100000173376 [1,1,0,0,0,0|2,0,0]=4 5720 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 240690a_100020591295_100000173376 [1,1,0,0,0,0|2,0,0]=4 5721 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 527a_100020591295_100000173376 [1,1,0,0,0,0|2,0,0]=4 5722 B12R0.142 CSCCCC(=O)NCC(C)CO 240690a_100000744482_100000173376 [1,1,0,0,0,0|2,0,0]=4 5723 B12R0.142 CSCCCC(=O)NCC(C)CO 527a_100000744482_100000173376 [1,1,0,0,0,0|2,0,0]=4 5724 B12R0.142 CSCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000173376 [1,1,0,0,0,0|2,0,0]=4 5725 B12R0.142 CSCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000173376 [1,1,0,0,0,0|2,0,0]=4 5726 B12R0.142 CSCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000173376 [1,1,0,0,0,0|2,0,0]=4 5727 B12R0.142 CSCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000173376 [1,1,0,0,0,0|2,0,0]=4 5728 B12R0.233 C#CCCCC(=O)CCCC(C)C 1458a_100000690238_100011214892 [1,1,0,0,0,0|1,0,1]=4 5729 B12R0.233 C#CCCCC(=O)CCCC(C)C 1458a_100011216857_100000731252 [1,1,0,0,0,0|1,0,1]=4 5730 B12R0.233 C#CCCCC(=O)CCCC(C)O 1458a_100000690238_200000718107 [1,1,0,0,0,0|1,0,1]=4 5731 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [1,1,0,0,0,0|2,0,0]=4 5732 B12R0.233 C=C(C)COCC(=O)OCCCC 34a_100000210245_100000211628 [1,1,0,0,0,0|1,0,1]=4 5733 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_100000748629_200012276598 [1,1,0,0,0,0|2,0,0]=4 5734 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_200012276598_100000211660 [1,1,0,0,0,0|2,0,0]=4 5735 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000211628_100000211660 [1,1,0,0,0,0|1,0,1]=4 5736 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000748629_100000211628 [1,1,0,0,0,0|1,0,1]=4 5737 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100000766728_100011214892 [1,1,0,0,0,0|1,0,1]=4 5738 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100011216857_100000757094 [1,1,0,0,0,0|1,0,1]=4 5739 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [1,1,0,0,0,0|1,0,1]=4 5740 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [1,1,0,0,0,0|2,0,0]=4 5741 B12R0.233 CC(C)CCCC(=O)CCCC#N 1458a_100000075515_100011214892 [1,1,0,0,0,0|2,0,0]=4 5742 B12R0.233 CC(C)CCCC(=O)CCCC#N 1458a_100011216857_100000211468 [1,1,0,0,0,0|2,0,0]=4 5743 B12R0.233 CC(C)CCCC(=O)CCCCF 1458a_100011216857_100000729493 [1,1,0,0,0,0|2,0,0]=4 5744 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [1,1,0,0,0,0|1,1,0]=4 5745 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [1,1,0,0,0,0|1,1,0]=4 5746 B12R0.233 CC(C)CCCC(=O)NCCCF 11a_100015189416_100011216857 [1,1,0,0,0,0|2,0,0]=4 5747 B12R0.233 CC(C)CCCC(=O)NCCCF 1626a_100015189416_100011216857 [1,1,0,0,0,0|2,0,0]=4 5748 B12R0.233 CC(C)CCCC(=O)NCCCF 240690a_100015189416_100011216857 [1,1,0,0,0,0|2,0,0]=4 5749 B12R0.233 CC(C)CCCC(=O)NCCCF 527a_100015189416_100011216857 [1,1,0,0,0,0|2,0,0]=4 5750 B12R0.233 CC(C)CCCC(=O)NCCCO 240690a_100000182051_100011216857 [1,1,0,0,0,0|1,1,0]=4 5751 B12R0.233 CC(C)CCCC(=O)NCCCO 527a_100000182051_100011216857 [1,1,0,0,0,0|1,1,0]=4 5752 B12R0.233 CC(C)CCNC(=O)CCCCO 1626a_100000210545_100000695505 [1,1,0,0,0,0|2,0,0]=4 5753 B12R0.233 CC(O)CCCC(=O)CCCC#N 1458a_100000075515_200000718107 [1,1,0,0,0,0|2,0,0]=4 5754 B12R0.233 CC(O)CCCC(=O)CCCCO 1458a_100000695505_200000718107 [1,1,0,0,0,0|1,1,0]=4 5755 B12R0.233 CC(O)CCCC(=O)NCCCF 1626a_100015189416_100000761597 [1,1,0,0,0,0|2,0,0]=4 5756 B12R0.233 CC(O)CCCC(=O)NCCCF 527a_100015189416_100000761597 [1,1,0,0,0,0|2,0,0]=4 5757 B12R0.233 CC(O)CCCC(=O)NCCCO 527a_100000182051_100000761597 [1,1,0,0,0,0|1,1,0]=4 5758 B12R0.233 CCCC#CC(=O)CCCC(C)C 1458a_200011218047_100011214892 [1,1,0,0,0,0|1,0,1]=4 5759 B12R0.233 CCCC#CC(=O)CCCC(C)O 1458a_200011218047_200000718107 [1,1,0,0,0,0|1,0,1]=4 5760 B12R0.233 CCCC=CC(=O)CCCC(C)C 1458a_100000212230_100011214892 [1,1,0,0,0,0|1,0,1]=4 5761 B12R0.233 CCCC=CC(=O)CCCC(C)O 1458a_100000212230_200000718107 [1,1,0,0,0,0|1,0,1]=4 5762 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [1,1,0,0,0,0|1,0,1]=4 5763 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [1,1,0,0,0,0|1,0,0]=3 5764 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [1,1,0,0,0,0|2,0,0]=4 5765 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [1,1,0,0,0,0|1,0,0]=3 5766 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [1,1,0,0,0,0|1,0,0]=3 5767 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [1,1,0,0,0,0|1,0,0]=3 5768 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [1,1,0,0,0,0|1,0,0]=3 5769 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [1,1,0,0,0,0|2,0,0]=4 5770 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [1,1,0,0,0,0|2,0,0]=4 5771 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [1,1,0,0,0,0|2,0,0]=4 5772 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [1,1,0,0,0,0|2,0,0]=4 5773 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [1,1,0,0,0,0|2,0,0]=4 5774 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [1,1,0,0,0,0|2,0,0]=4 5775 B12R0.233 CCCCCC(=O)CCSC(C)C 1458a_100000212188_100000730970 [1,1,0,0,0,0|2,0,0]=4 5776 B12R0.233 CCCCCC(=O)CNCC(C)C 2230a_100000210953_200012276598 [1,1,0,0,0,0|2,0,0]=4 5777 B12R0.233 CCCCCC(=O)CNCC(C)C 34a_100000210953_200012276598 [1,1,0,0,0,0|2,0,0]=4 5778 B12R0.233 CCCCCC(=O)CNCC(C)O 2230a_100000210904_200012276598 [1,1,0,0,0,0|2,0,0]=4 5779 B12R0.233 CCCCCC(=O)CNCC(C)O 34a_100000210904_200012276598 [1,1,0,0,0,0|2,0,0]=4 5780 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [1,1,0,0,0,0|2,0,0]=4 5781 B12R0.233 CCCCCC(=O)COCC(C)Br 34a_100012180447_200012276598 [1,1,0,0,0,0|2,0,0]=4 5782 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [1,1,0,0,0,0|2,0,0]=4 5783 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [1,1,0,0,0,0|2,0,0]=4 5784 B12R0.233 CCCCCC(=O)COCC(C)F 34a_100015925927_200012276598 [1,1,0,0,0,0|2,0,0]=4 5785 B12R0.233 CCCCCC(=O)COC[C@@H](C)Cl 34a_100016084084_200012276598 [1,1,0,0,0,0|2,0,0]=4 5786 B12R0.233 CCCCCC(=O)COC[C@@H](C)N 34a_100000737577_200012276598 [1,1,0,0,0,0|2,0,0]=4 5787 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_100000210624_200012276598 [1,1,0,0,0,0|2,0,0]=4 5788 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_200012276598_100000210760 [1,1,0,0,0,0|2,0,0]=4 5789 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_100011218427_200012276598 [1,1,0,0,0,0|2,0,0]=4 5790 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_200012276598_100011218427 [1,1,0,0,0,0|2,0,0]=4 5791 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_100009817552_200012276598 [1,1,0,0,0,0|2,0,0]=4 5792 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_200012276598_100009817552 [1,1,0,0,0,0|2,0,0]=4 5793 B12R0.233 CCCCCC(=O)NCCC(C)C 11a_100000210545_100000212188 [1,1,0,0,0,0|1,0,0]=3 5794 B12R0.233 CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000212188 [1,1,0,0,0,0|1,0,0]=3 5795 B12R0.233 CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000212188 [1,1,0,0,0,0|1,0,0]=3 5796 B12R0.233 CCCCCC(=O)NCCC(C)C 527a_100000210545_100000212188 [1,1,0,0,0,0|1,0,0]=3 5797 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [1,1,0,0,0,0|1,0,0]=3 5798 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [1,1,0,0,0,0|1,0,0]=3 5799 B12R0.233 CCCCCC(=O)NCCN(C)C 240690a_100000210585_100000212188 [1,1,0,0,0,0|2,0,0]=4 5800 B12R0.233 CCCCCC(=O)NCCN(C)C 527a_100000210585_100000212188 [1,1,0,0,0,0|2,0,0]=4 5801 B12R0.233 CCCCCC(=O)NNCC(C)C 22a_100000696102_100000212188 [1,1,0,0,0,0|2,0,0]=4 5802 B12R0.233 CCCCCC(=O)NNCC(C)O 22a_200000730056_100000212188 [1,1,0,0,0,0|2,0,0]=4 5803 B12R0.233 CCCCCC(C)OCCC(C)Br 34a_100009893172_200011218191 [1,1,0,0,0,0|1,0,1]=4 5804 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [1,1,0,0,0,0|1,0,1]=4 5805 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [1,1,0,0,0,0|1,0,1]=4 5806 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [1,1,0,0,0,0|1,0,1]=4 5807 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [1,1,0,0,0,0|1,0,1]=4 5808 B12R0.233 CCCCCC(C)OCCC(C)O 34a_100011215632_100012276601 [1,1,0,0,0,0|1,0,1]=4 5809 B12R0.233 CCCCCC(C)OCCC(C)O 7a_100011215632_100012276601 [1,1,0,0,0,0|1,0,1]=4 5810 B12R0.233 CCCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011218191 [1,1,0,0,0,0|1,0,1]=4 5811 B12R0.233 CCCCNC(=O)CCCC(C)C 11a_100000102301_100011216857 [1,1,0,0,0,0|1,0,0]=3 5812 B12R0.233 CCCCNC(=O)CCCC(C)C 1626a_100000102301_100011216857 [1,1,0,0,0,0|1,0,0]=3 5813 B12R0.233 CCCCNC(=O)CCCC(C)C 240690a_100000102301_100011216857 [1,1,0,0,0,0|1,0,0]=3 5814 B12R0.233 CCCCNC(=O)CCCC(C)C 527a_100000102301_100011216857 [1,1,0,0,0,0|1,0,0]=3 5815 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [1,1,0,0,0,0|1,0,0]=3 5816 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [1,1,0,0,0,0|1,0,0]=3 5817 B12R0.233 CCCCNC(=O)CCCN(C)C 11a_100000102301_100000740757 [1,1,0,0,0,0|2,0,0]=4 5818 B12R0.233 CCCCNC(=O)CCCN(C)C 240690a_100000102301_100000740757 [1,1,0,0,0,0|2,0,0]=4 5819 B12R0.233 CCCCNC(=O)CNCC(C)C 2230a_100000210953_100000182744 [1,1,0,0,0,0|2,0,0]=4 5820 B12R0.233 CCCCNC(=O)CNCC(C)C 34a_100000210953_100000182744 [1,1,0,0,0,0|2,0,0]=4 5821 B12R0.233 CCCCNC(=O)CNCC(C)O 2230a_100000210904_100000182744 [1,1,0,0,0,0|2,0,0]=4 5822 B12R0.233 CCCCNC(=O)CNCC(C)O 34a_100000210904_100000182744 [1,1,0,0,0,0|2,0,0]=4 5823 B12R0.233 CCCCNC(=O)COCC(C)Br 34a_100012180447_100000182744 [1,1,0,0,0,0|2,0,0]=4 5824 B12R0.233 CCCCNC(=O)COCC(C)C 11a_100000102301_100011223364 [1,1,0,0,0,0|2,0,0]=4 5825 B12R0.233 CCCCNC(=O)COCC(C)C 1626a_100000102301_100011223364 [1,1,0,0,0,0|2,0,0]=4 5826 B12R0.233 CCCCNC(=O)COCC(C)C 240690a_100000102301_100011223364 [1,1,0,0,0,0|2,0,0]=4 5827 B12R0.233 CCCCNC(=O)COCC(C)C 34a_100000210257_100000182744 [1,1,0,0,0,0|2,0,0]=4 5828 B12R0.233 CCCCNC(=O)COCC(C)C 527a_100000102301_100011223364 [1,1,0,0,0,0|2,0,0]=4 5829 B12R0.233 CCCCNC(=O)COCC(C)F 34a_100015925927_100000182744 [1,1,0,0,0,0|2,0,0]=4 5830 B12R0.233 CCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000182744 [1,1,0,0,0,0|2,0,0]=4 5831 B12R0.233 CCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000182744 [1,1,0,0,0,0|2,0,0]=4 5832 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000182744_100000210760 [1,1,0,0,0,0|2,0,0]=4 5833 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000210624_100000182744 [1,1,0,0,0,0|2,0,0]=4 5834 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100000182744_100011218427 [1,1,0,0,0,0|2,0,0]=4 5835 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100011218427_100000182744 [1,1,0,0,0,0|2,0,0]=4 5836 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100000182744_100009817552 [1,1,0,0,0,0|2,0,0]=4 5837 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000182744 [1,1,0,0,0,0|2,0,0]=4 5838 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000102301_100000210545 [1,1,0,0,0,0|2,0,0]=4 5839 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000210545_100000102301 [1,1,0,0,0,0|2,0,0]=4 5840 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000102301_100000210545 [1,1,0,0,0,0|2,0,0]=4 5841 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000210545_100000102301 [1,1,0,0,0,0|2,0,0]=4 5842 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000102301_100000210545 [1,1,0,0,0,0|2,0,0]=4 5843 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000210545_100000102301 [1,1,0,0,0,0|2,0,0]=4 5844 B12R0.233 CCCCNC(=O)NCCC(C)O 2708a_100000102301_200000755665 [1,1,0,0,0,0|2,0,0]=4 5845 B12R0.233 CCCCNC(=O)NCCC(C)O 273464a_200000755665_100000102301 [1,1,0,0,0,0|2,0,0]=4 5846 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_100000102301_200000755665 [1,1,0,0,0,0|2,0,0]=4 5847 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_200000755665_100000102301 [1,1,0,0,0,0|2,0,0]=4 5848 B12R0.233 CCCCOC(=O)CNCC(C)C 2230a_100000210953_100000211628 [1,1,0,0,0,0|1,0,0]=3 5849 B12R0.233 CCCCOC(=O)CNCC(C)C 34a_100000210953_100000211628 [1,1,0,0,0,0|1,0,0]=3 5850 B12R0.233 CCCCOC(=O)CNCC(C)O 2230a_100000210904_100000211628 [1,1,0,0,0,0|1,0,0]=3 5851 B12R0.233 CCCCOC(=O)CNCC(C)O 34a_100000210904_100000211628 [1,1,0,0,0,0|1,0,0]=3 5852 B12R0.233 CCCCOC(=O)CNCC(F)F 34a_100000765723_100000211628 [1,1,0,0,0,0|2,0,0]=4 5853 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [1,1,0,0,0,0|1,0,1]=4 5854 B12R0.233 CCCCOC(=O)COCC(C)Br 34a_100012180447_100000211628 [1,1,0,0,0,0|1,0,0]=3 5855 B12R0.233 CCCCOC(=O)COCC(C)C 34a_100000210257_100000211628 [1,1,0,0,0,0|1,0,0]=3 5856 B12R0.233 CCCCOC(=O)COCC(C)F 34a_100015925927_100000211628 [1,1,0,0,0,0|1,0,0]=3 5857 B12R0.233 CCCCOC(=O)COCC(F)F 34a_100000743014_100000211628 [1,1,0,0,0,0|2,0,0]=4 5858 B12R0.233 CCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000211628 [1,1,0,0,0,0|1,0,0]=3 5859 B12R0.233 CCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000211628 [1,1,0,0,0,0|1,0,0]=3 5860 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000210624_100000211628 [1,1,0,0,0,0|1,0,0]=3 5861 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000211628_100000210760 [1,1,0,0,0,0|1,0,0]=3 5862 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100000211628_100011218427 [1,1,0,0,0,0|1,0,0]=3 5863 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100011218427_100000211628 [1,1,0,0,0,0|1,0,0]=3 5864 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100000211628_100011934356 [1,1,0,0,0,0|2,0,0]=4 5865 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100011934356_100000211628 [1,1,0,0,0,0|2,0,0]=4 5866 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100000211628_100009817552 [1,1,0,0,0,0|1,0,0]=3 5867 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000211628 [1,1,0,0,0,0|1,0,0]=3 5868 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [1,1,0,0,0,0|1,0,1]=4 5869 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [1,1,0,0,0,0|1,0,1]=4 5870 B12R0.233 CCCNNC(=O)CCCC(C)C 22a_100000740057_100011216857 [1,1,0,0,0,0|2,0,0]=4 5871 B12R0.233 CCCNNC(=O)CCCC(C)O 22a_100000740057_100000761597 [1,1,0,0,0,0|2,0,0]=4 5872 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [1,1,0,0,0,0|2,0,0]=4 5873 B12R0.233 CCCOCC(=O)CCCC(C)C 1458a_100000745993_100011214892 [1,1,0,0,0,0|2,0,0]=4 5874 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [1,1,0,0,0,0|2,0,0]=4 5875 B12R0.233 CCCOCC(=O)CCCN(C)C 1458a_100000745993_100000695564 [1,1,0,0,0,0|2,0,0]=4 5876 B12R0.233 CCCOCC(=O)NCCC(C)C 11a_100000210545_100000745993 [1,1,0,0,0,0|2,0,0]=4 5877 B12R0.233 CCCOCC(=O)NCCC(C)C 1626a_100000210545_100000745993 [1,1,0,0,0,0|2,0,0]=4 5878 B12R0.233 CCCOCC(=O)NCCC(C)C 240690a_100000210545_100000745993 [1,1,0,0,0,0|2,0,0]=4 5879 B12R0.233 CCCOCC(=O)NCCC(C)C 527a_100000210545_100000745993 [1,1,0,0,0,0|2,0,0]=4 5880 B12R0.233 CCCOCC(=O)NCCC(C)O 240690a_200000755665_100000745993 [1,1,0,0,0,0|2,0,0]=4 5881 B12R0.233 CCCOCC(=O)NCCC(C)O 527a_200000755665_100000745993 [1,1,0,0,0,0|2,0,0]=4 5882 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [1,1,0,0,0,0|2,0,0]=4 5883 B12R0.233 CCCSCC(=O)CCCC(C)C 1458a_100000217233_100011214892 [1,1,0,0,0,0|2,0,0]=4 5884 B12R0.233 CCCSCC(=O)CCCC(C)O 1458a_100000217233_200000718107 [1,1,0,0,0,0|2,0,0]=4 5885 B12R0.233 CCCSCC(=O)CCCN(C)C 1458a_100000217233_100000695564 [1,1,0,0,0,0|2,0,0]=4 5886 B12R0.233 CCCSCC(=O)NCCC(C)C 11a_100000210545_100000217233 [1,1,0,0,0,0|2,0,0]=4 5887 B12R0.233 CCCSCC(=O)NCCC(C)C 1626a_100000210545_100000217233 [1,1,0,0,0,0|2,0,0]=4 5888 B12R0.233 CCCSCC(=O)NCCC(C)C 240690a_100000210545_100000217233 [1,1,0,0,0,0|2,0,0]=4 5889 B12R0.233 CCCSCC(=O)NCCC(C)C 527a_100000210545_100000217233 [1,1,0,0,0,0|2,0,0]=4 5890 B12R0.233 CCCSCC(=O)NCCC(C)O 240690a_200000755665_100000217233 [1,1,0,0,0,0|2,0,0]=4 5891 B12R0.233 CCCSCC(=O)NCCC(C)O 527a_200000755665_100000217233 [1,1,0,0,0,0|2,0,0]=4 5892 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [1,1,0,0,0,0|2,0,0]=4 5893 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [1,1,0,0,0,0|2,0,0]=4 5894 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [1,1,0,0,0,0|2,0,0]=4 5895 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [1,1,0,0,0,0|2,0,0]=4 5896 B12R0.233 CCOCCC(=O)CCCN(C)C 1458a_100000749530_100000695564 [1,1,0,0,0,0|2,0,0]=4 5897 B12R0.233 CCOCCC(=O)NCCC(C)C 11a_100000210545_100000749530 [1,1,0,0,0,0|2,0,0]=4 5898 B12R0.233 CCOCCC(=O)NCCC(C)C 1626a_100000210545_100000749530 [1,1,0,0,0,0|2,0,0]=4 5899 B12R0.233 CCOCCC(=O)NCCC(C)C 240690a_100000210545_100000749530 [1,1,0,0,0,0|2,0,0]=4 5900 B12R0.233 CCOCCC(=O)NCCC(C)C 527a_100000210545_100000749530 [1,1,0,0,0,0|2,0,0]=4 5901 B12R0.233 CCOCCC(=O)NCCC(C)O 240690a_200000755665_100000749530 [1,1,0,0,0,0|2,0,0]=4 5902 B12R0.233 CCOCCC(=O)NCCC(C)O 527a_200000755665_100000749530 [1,1,0,0,0,0|2,0,0]=4 5903 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [1,1,0,0,0,0|2,0,0]=4 5904 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100000230768_100011214892 [1,1,0,0,0,0|2,0,0]=4 5905 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100011216857_100000757381 [1,1,0,0,0,0|2,0,0]=4 5906 B12R0.233 CCSCCC(=O)CCCC(C)O 1458a_100000230768_200000718107 [1,1,0,0,0,0|2,0,0]=4 5907 B12R0.233 CCSCCC(=O)CCCN(C)C 1458a_100000230768_100000695564 [1,1,0,0,0,0|2,0,0]=4 5908 B12R0.233 CCSCCC(=O)NCCC(C)C 11a_100000210545_100000230768 [1,1,0,0,0,0|2,0,0]=4 5909 B12R0.233 CCSCCC(=O)NCCC(C)C 1626a_100000210545_100000230768 [1,1,0,0,0,0|2,0,0]=4 5910 B12R0.233 CCSCCC(=O)NCCC(C)C 240690a_100000210545_100000230768 [1,1,0,0,0,0|2,0,0]=4 5911 B12R0.233 CCSCCC(=O)NCCC(C)C 527a_100000210545_100000230768 [1,1,0,0,0,0|2,0,0]=4 5912 B12R0.233 CCSCCC(=O)NCCC(C)O 240690a_200000755665_100000230768 [1,1,0,0,0,0|2,0,0]=4 5913 B12R0.233 CCSCCC(=O)NCCC(C)O 527a_200000755665_100000230768 [1,1,0,0,0,0|2,0,0]=4 5914 B12R0.233 CN(C)CCCC(=O)CCCCO 1458a_100000695505_100000695564 [1,1,0,0,0,0|2,0,0]=4 5915 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [1,1,0,0,0,0|0,1,1]=4 5916 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100000741012_100011214892 [1,1,0,0,0,0|0,1,0]=3 5917 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100011216857_100000740836 [1,1,0,0,0,0|0,1,0]=3 5918 B12R0.233 COCCCC(=O)CCCC(C)O 1458a_100000741012_200000718107 [1,1,0,0,0,0|0,1,0]=3 5919 B12R0.233 COCCCC(=O)CCCN(C)C 1458a_100000741012_100000695564 [1,1,0,0,0,0|1,1,0]=4 5920 B12R0.233 COCCCC(=O)CCOC(C)C 1458a_100000741012_100000211751 [1,1,0,0,0,0|1,1,0]=4 5921 B12R0.233 COCCCC(=O)CCSC(C)C 1458a_100000741012_100000730970 [1,1,0,0,0,0|1,1,0]=4 5922 B12R0.233 COCCCC(=O)COCC(C)C 1458a_100011223364_100000740836 [1,1,0,0,0,0|1,1,0]=4 5923 B12R0.233 COCCCC(=O)NCCC(C)C 11a_100000210545_100000741012 [1,1,0,0,0,0|1,1,0]=4 5924 B12R0.233 COCCCC(=O)NCCC(C)C 1626a_100000210545_100000741012 [1,1,0,0,0,0|1,1,0]=4 5925 B12R0.233 COCCCC(=O)NCCC(C)C 240690a_100000210545_100000741012 [1,1,0,0,0,0|1,1,0]=4 5926 B12R0.233 COCCCC(=O)NCCC(C)C 527a_100000210545_100000741012 [1,1,0,0,0,0|1,1,0]=4 5927 B12R0.233 COCCCC(=O)NCCC(C)O 240690a_200000755665_100000741012 [1,1,0,0,0,0|1,1,0]=4 5928 B12R0.233 COCCCC(=O)NCCC(C)O 527a_200000755665_100000741012 [1,1,0,0,0,0|1,1,0]=4 5929 B12R0.233 COCCNC(=O)CCCC(C)C 1626a_100000209980_100011216857 [1,1,0,0,0,0|1,1,0]=4 5930 B12R0.233 COCCNC(=O)CCCC(C)C 240690a_100000209980_100011216857 [1,1,0,0,0,0|1,1,0]=4 5931 B12R0.233 COCCNC(=O)CCCC(C)C 527a_100000209980_100011216857 [1,1,0,0,0,0|1,1,0]=4 5932 B12R0.233 COCCNC(=O)CCCC(C)O 1626a_100000209980_100000761597 [1,1,0,0,0,0|1,1,0]=4 5933 B12R0.233 COCCNC(=O)CCCC(C)O 527a_100000209980_100000761597 [1,1,0,0,0,0|1,1,0]=4 5934 B12R0.233 COCCOC(=O)CNCC(C)C 2230a_100000210953_200000040189 [1,1,0,0,0,0|1,1,0]=4 5935 B12R0.233 COCCOC(=O)CNCC(C)C 34a_100000210953_200000040189 [1,1,0,0,0,0|1,1,0]=4 5936 B12R0.233 COCCOC(=O)CNCC(C)O 2230a_100000210904_200000040189 [1,1,0,0,0,0|1,1,0]=4 5937 B12R0.233 COCCOC(=O)CNCC(C)O 34a_100000210904_200000040189 [1,1,0,0,0,0|1,1,0]=4 5938 B12R0.233 COCCOC(=O)COCC(C)Br 34a_100012180447_200000040189 [1,1,0,0,0,0|1,1,0]=4 5939 B12R0.233 COCCOC(=O)COCC(C)C 34a_100000210257_200000040189 [1,1,0,0,0,0|1,1,0]=4 5940 B12R0.233 COCCOC(=O)COCC(C)F 34a_100015925927_200000040189 [1,1,0,0,0,0|1,1,0]=4 5941 B12R0.233 COCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200000040189 [1,1,0,0,0,0|1,1,0]=4 5942 B12R0.233 COCCOC(=O)COC[C@@H](C)N 34a_100000737577_200000040189 [1,1,0,0,0,0|1,1,0]=4 5943 B12R0.233 COCCOC(=O)CSCC(C)C 62a_100000210624_200000040189 [1,1,0,0,0,0|1,1,0]=4 5944 B12R0.233 COCCOC(=O)CSCC(C)C 62a_200000040189_100000210760 [1,1,0,0,0,0|1,1,0]=4 5945 B12R0.233 COCCOC(=O)CSCC(C)O 62a_100011218427_200000040189 [1,1,0,0,0,0|1,1,0]=4 5946 B12R0.233 COCCOC(=O)CSCC(C)O 62a_200000040189_100011218427 [1,1,0,0,0,0|1,1,0]=4 5947 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200000040189 [1,1,0,0,0,0|1,1,0]=4 5948 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_200000040189_100009817552 [1,1,0,0,0,0|1,1,0]=4 5949 B12R0.233 CSCCCC(=O)CCC=C(C)C 1458a_100000173376_100011217483 [1,1,0,0,0,0|0,0,2]=4 5950 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [1,1,0,0,0,0|0,0,1]=3 5951 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [1,1,0,0,0,0|1,0,1]=4 5952 B12R0.233 CSCCCC(=O)CCCC(C)C 1458a_100000173376_100011214892 [1,1,0,0,0,0|0,0,0]=2 5953 B12R0.233 CSCCCC(=O)CCCC(C)O 1458a_100000173376_200000718107 [1,1,0,0,0,0|0,0,0]=2 5954 B12R0.233 CSCCCC(=O)CCCN(C)C 1458a_100000173376_100000695564 [1,1,0,0,0,0|1,0,0]=3 5955 B12R0.233 CSCCCC(=O)CCNC(=O)C 1458a_100000173376_100000189650 [1,1,0,0,0,0|1,0,1]=4 5956 B12R0.233 CSCCCC(=O)CCOC(=O)C 1458a_100000173376_100009814007 [1,1,0,0,0,0|1,0,1]=4 5957 B12R0.233 CSCCCC(=O)CCOC(C)C 1458a_100000173376_100000211751 [1,1,0,0,0,0|1,0,0]=3 5958 B12R0.233 CSCCCC(=O)CCSC(C)C 1458a_100000173376_100000730970 [1,1,0,0,0,0|1,0,0]=3 5959 B12R0.233 CSCCCC(=O)NCCC(C)C 11a_100000210545_100000173376 [1,1,0,0,0,0|1,0,0]=3 5960 B12R0.233 CSCCCC(=O)NCCC(C)C 1626a_100000210545_100000173376 [1,1,0,0,0,0|1,0,0]=3 5961 B12R0.233 CSCCCC(=O)NCCC(C)C 240690a_100000210545_100000173376 [1,1,0,0,0,0|1,0,0]=3 5962 B12R0.233 CSCCCC(=O)NCCC(C)C 527a_100000210545_100000173376 [1,1,0,0,0,0|1,0,0]=3 5963 B12R0.233 CSCCCC(=O)NCCC(C)O 240690a_200000755665_100000173376 [1,1,0,0,0,0|1,0,0]=3 5964 B12R0.233 CSCCCC(=O)NCCC(C)O 527a_200000755665_100000173376 [1,1,0,0,0,0|1,0,0]=3 5965 B12R0.233 CSCCCC(=O)NCCN(C)C 240690a_100000210585_100000173376 [1,1,0,0,0,0|2,0,0]=4 5966 B12R0.233 CSCCCC(=O)NCCN(C)C 527a_100000210585_100000173376 [1,1,0,0,0,0|2,0,0]=4 5967 B12R0.233 CSCCCC(=O)NNCC(C)C 22a_100000696102_100000173376 [1,1,0,0,0,0|2,0,0]=4 5968 B12R0.233 CSCCCC(=O)NNCC(C)O 22a_200000730056_100000173376 [1,1,0,0,0,0|2,0,0]=4 5969 B12R0.233 CSCCNC(=O)CCCC(C)C 11a_100020590264_100011216857 [1,1,0,0,0,0|1,0,0]=3 5970 B12R0.233 CSCCNC(=O)CCCC(C)C 1626a_100020590264_100011216857 [1,1,0,0,0,0|1,0,0]=3 5971 B12R0.233 CSCCNC(=O)CCCC(C)C 240690a_100020590264_100011216857 [1,1,0,0,0,0|1,0,0]=3 5972 B12R0.233 CSCCNC(=O)CCCC(C)C 527a_100020590264_100011216857 [1,1,0,0,0,0|1,0,0]=3 5973 B12R0.233 CSCCNC(=O)CCCC(C)O 1626a_100020590264_100000761597 [1,1,0,0,0,0|1,0,0]=3 5974 B12R0.233 CSCCNC(=O)CCCC(C)O 527a_100020590264_100000761597 [1,1,0,0,0,0|1,0,0]=3 5975 B12R0.233 CSCCNC(=O)CCCN(C)C 11a_100020590264_100000740757 [1,1,0,0,0,0|2,0,0]=4 5976 B12R0.233 CSCCNC(=O)CCCN(C)C 240690a_100020590264_100000740757 [1,1,0,0,0,0|2,0,0]=4 5977 B12R0.233 CSCCNC(=O)COCC(C)C 11a_100020590264_100011223364 [1,1,0,0,0,0|2,0,0]=4 5978 B12R0.233 CSCCNC(=O)COCC(C)C 1626a_100020590264_100011223364 [1,1,0,0,0,0|2,0,0]=4 5979 B12R0.233 CSCCNC(=O)COCC(C)C 240690a_100020590264_100011223364 [1,1,0,0,0,0|2,0,0]=4 5980 B12R0.233 CSCCNC(=O)COCC(C)C 527a_100020590264_100011223364 [1,1,0,0,0,0|2,0,0]=4 5981 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100000210545_100020590264 [1,1,0,0,0,0|2,0,0]=4 5982 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100020590264_100000210545 [1,1,0,0,0,0|2,0,0]=4 5983 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100000210545_100020590264 [1,1,0,0,0,0|2,0,0]=4 5984 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100020590264_100000210545 [1,1,0,0,0,0|2,0,0]=4 5985 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100000210545_100020590264 [1,1,0,0,0,0|2,0,0]=4 5986 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100020590264_100000210545 [1,1,0,0,0,0|2,0,0]=4 5987 B12R0.233 CSCCNC(=O)NCCC(C)O 2708a_100020590264_200000755665 [1,1,0,0,0,0|2,0,0]=4 5988 B12R0.233 CSCCNC(=O)NCCC(C)O 273464a_200000755665_100020590264 [1,1,0,0,0,0|2,0,0]=4 5989 B12R0.233 CSCCNC(=O)NCCC(C)O 512a_100020590264_200000755665 [1,1,0,0,0,0|2,0,0]=4 5990 B12R0.233 CSCCNC(=O)NCCC(C)O 512a_200000755665_100020590264 [1,1,0,0,0,0|2,0,0]=4 5991 B12R0.233 CSCCOC(C)CCCC(C)C 34a_200011218570_100000212216 [1,1,0,0,0,0|1,0,1]=4 5992 B12R0.233 CSCCOC(C)CCCC(C)C 7a_200011218570_100000212216 [1,1,0,0,0,0|1,0,1]=4 5993 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000690238_100011216630 [1,1,0,0,0,0|1,0,1]=4 5994 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000748435_100000731252 [1,1,0,0,0,0|1,0,1]=4 5995 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [1,1,0,0,0,0|1,0,1]=4 5996 B12R0.239 C=C(CCC)CC(=O)CCCOC 1458a_100000138376_100000740836 [1,1,0,0,0,0|0,1,1]=4 5997 B12R0.239 C=C(CCC)CC(=O)NCCCC 11a_100000102301_100000138376 [1,1,0,0,0,0|1,0,1]=4 5998 B12R0.239 C=C(CCC)CC(=O)NCCCC 240690a_100000102301_100000138376 [1,1,0,0,0,0|1,0,1]=4 5999 B12R0.239 C=C(CCC)CC(=O)NCCCC 527a_100000102301_100000138376 [1,1,0,0,0,0|1,0,1]=4 6000 B12R0.239 C=C(CCC)CC(=O)NCCSC 11a_100020590264_100000138376 [1,1,0,0,0,0|1,0,1]=4 6001 B12R0.239 C=C(CCC)CC(=O)NCCSC 240690a_100020590264_100000138376 [1,1,0,0,0,0|1,0,1]=4 6002 B12R0.239 C=C(CCC)CC(=O)NCCSC 527a_100020590264_100000138376 [1,1,0,0,0,0|1,0,1]=4 6003 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000748435_100000757094 [1,1,0,0,0,0|1,0,1]=4 6004 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000766728_100011216630 [1,1,0,0,0,0|1,0,1]=4 6005 B12R0.239 CCCC#CC(=O)CC(C)CCC 1458a_200011218047_100011216630 [1,1,0,0,0,0|1,0,1]=4 6006 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [1,1,0,0,0,0|0,1,1]=4 6007 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [1,1,0,0,0,0|0,0,1]=3 6008 B12R0.239 CCCC(=O)CC(=O)OCCOC 1458a_100000211992_200000040189 [1,1,0,0,0,0|0,1,1]=4 6009 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000075515_100011216630 [1,1,0,0,0,0|2,0,0]=4 6010 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000748435_100000211468 [1,1,0,0,0,0|2,0,0]=4 6011 B12R0.239 CCCC(C)CC(=O)CCCCF 1458a_100000748435_100000729493 [1,1,0,0,0,0|2,0,0]=4 6012 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000695505_100011216630 [1,1,0,0,0,0|1,1,0]=4 6013 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000748435_100000210776 [1,1,0,0,0,0|1,1,0]=4 6014 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000741012_100011216630 [1,1,0,0,0,0|0,1,0]=3 6015 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000748435_100000740836 [1,1,0,0,0,0|0,1,0]=3 6016 B12R0.239 CCCC(C)CC(=O)CCCSC 1458a_100000173376_100011216630 [1,1,0,0,0,0|0,0,0]=2 6017 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000748435_100011215890 [1,1,0,0,0,0|2,0,0]=4 6018 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000749530_100011216630 [1,1,0,0,0,0|2,0,0]=4 6019 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000230768_100011216630 [1,1,0,0,0,0|2,0,0]=4 6020 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000748435_100000757381 [1,1,0,0,0,0|2,0,0]=4 6021 B12R0.239 CCCC(C)CC(=O)NCCCF 11a_100015189416_100000748435 [1,1,0,0,0,0|2,0,0]=4 6022 B12R0.239 CCCC(C)CC(=O)NCCCF 1626a_100015189416_100000748435 [1,1,0,0,0,0|2,0,0]=4 6023 B12R0.239 CCCC(C)CC(=O)NCCCF 240690a_100015189416_100000748435 [1,1,0,0,0,0|2,0,0]=4 6024 B12R0.239 CCCC(C)CC(=O)NCCCF 527a_100015189416_100000748435 [1,1,0,0,0,0|2,0,0]=4 6025 B12R0.239 CCCC(C)CC(=O)NCCCO 240690a_100000182051_100000748435 [1,1,0,0,0,0|1,1,0]=4 6026 B12R0.239 CCCC(C)CC(=O)NCCCO 527a_100000182051_100000748435 [1,1,0,0,0,0|1,1,0]=4 6027 B12R0.239 CCCC(C)CC(=O)NCCOC 1626a_100000209980_100000748435 [1,1,0,0,0,0|1,1,0]=4 6028 B12R0.239 CCCC(C)CC(=O)NCCOC 240690a_100000209980_100000748435 [1,1,0,0,0,0|1,1,0]=4 6029 B12R0.239 CCCC(C)CC(=O)NCCOC 527a_100000209980_100000748435 [1,1,0,0,0,0|1,1,0]=4 6030 B12R0.239 CCCC(C)CC(=O)NCCSC 11a_100020590264_100000748435 [1,1,0,0,0,0|1,0,0]=3 6031 B12R0.239 CCCC(C)CC(=O)NCCSC 1626a_100020590264_100000748435 [1,1,0,0,0,0|1,0,0]=3 6032 B12R0.239 CCCC(C)CC(=O)NCCSC 240690a_100020590264_100000748435 [1,1,0,0,0,0|1,0,0]=3 6033 B12R0.239 CCCC(C)CC(=O)NCCSC 527a_100020590264_100000748435 [1,1,0,0,0,0|1,0,0]=3 6034 B12R0.239 CCCC(C)NC(=O)CCCCO 1626a_100000741246_100000695505 [1,1,0,0,0,0|2,0,0]=4 6035 B12R0.239 CCCC(C)NC(=O)CCCOC 11a_100000741246_100000741012 [1,1,0,0,0,0|1,1,0]=4 6036 B12R0.239 CCCC(C)NC(=O)CCCOC 1626a_100000741246_100000741012 [1,1,0,0,0,0|1,1,0]=4 6037 B12R0.239 CCCC(C)NC(=O)CCCOC 240690a_100000741246_100000741012 [1,1,0,0,0,0|1,1,0]=4 6038 B12R0.239 CCCC(C)NC(=O)CCCOC 527a_100000741246_100000741012 [1,1,0,0,0,0|1,1,0]=4 6039 B12R0.239 CCCC(C)NC(=O)CCCSC 11a_100000741246_100000173376 [1,1,0,0,0,0|1,0,0]=3 6040 B12R0.239 CCCC(C)NC(=O)CCCSC 1626a_100000741246_100000173376 [1,1,0,0,0,0|1,0,0]=3 6041 B12R0.239 CCCC(C)NC(=O)CCCSC 240690a_100000741246_100000173376 [1,1,0,0,0,0|1,0,0]=3 6042 B12R0.239 CCCC(C)NC(=O)CCCSC 527a_100000741246_100000173376 [1,1,0,0,0,0|1,0,0]=3 6043 B12R0.239 CCCC(C)NC(=O)CCOCC 11a_100000741246_100000749530 [1,1,0,0,0,0|2,0,0]=4 6044 B12R0.239 CCCC(C)NC(=O)CCOCC 1626a_100000741246_100000749530 [1,1,0,0,0,0|2,0,0]=4 6045 B12R0.239 CCCC(C)NC(=O)CCOCC 240690a_100000741246_100000749530 [1,1,0,0,0,0|2,0,0]=4 6046 B12R0.239 CCCC(C)NC(=O)CCOCC 527a_100000741246_100000749530 [1,1,0,0,0,0|2,0,0]=4 6047 B12R0.239 CCCC(C)NC(=O)CCSCC 11a_100000741246_100000230768 [1,1,0,0,0,0|2,0,0]=4 6048 B12R0.239 CCCC(C)NC(=O)CCSCC 1626a_100000741246_100000230768 [1,1,0,0,0,0|2,0,0]=4 6049 B12R0.239 CCCC(C)NC(=O)CCSCC 240690a_100000741246_100000230768 [1,1,0,0,0,0|2,0,0]=4 6050 B12R0.239 CCCC(C)NC(=O)CCSCC 527a_100000741246_100000230768 [1,1,0,0,0,0|2,0,0]=4 6051 B12R0.239 CCCC(C)NC(=O)NCCSC 2708a_100000741246_100020590264 [1,1,0,0,0,0|2,0,0]=4 6052 B12R0.239 CCCC(C)NC(=O)NCCSC 2708a_100020590264_100000741246 [1,1,0,0,0,0|2,0,0]=4 6053 B12R0.239 CCCC(C)NC(=O)NCCSC 273464a_100000741246_100020590264 [1,1,0,0,0,0|2,0,0]=4 6054 B12R0.239 CCCC(C)NC(=O)NCCSC 512a_100000741246_100020590264 [1,1,0,0,0,0|2,0,0]=4 6055 B12R0.239 CCCC(C)NC(=O)NCCSC 512a_100020590264_100000741246 [1,1,0,0,0,0|2,0,0]=4 6056 B12R0.239 CCCC=CC(=O)CC(C)CCC 1458a_100000212230_100011216630 [1,1,0,0,0,0|1,0,1]=4 6057 B12R0.239 CCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210326 [1,1,0,0,0,0|1,0,1]=4 6058 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [1,1,0,0,0,0|1,0,1]=4 6059 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [1,1,0,0,0,0|1,0,1]=4 6060 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [1,1,0,0,0,0|0,1,1]=4 6061 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [1,1,0,0,0,0|0,0,1]=3 6062 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [1,1,0,0,0,0|1,0,0]=3 6063 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [1,1,0,0,0,0|1,0,0]=3 6064 B12R0.239 CCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210326 [1,1,0,0,0,0|2,0,0]=4 6065 B12R0.239 CCCCCC(=O)CN(C)CCC 2230a_100000747261_200012276598 [1,1,0,0,0,0|2,0,0]=4 6066 B12R0.239 CCCCCC(=O)CN(C)CCC 269982a_100000747261_200012276598 [1,1,0,0,0,0|2,0,0]=4 6067 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [1,1,0,0,0,0|2,0,0]=4 6068 B12R0.239 CCCCCC(=O)NC(C)CCC 11a_100000741246_100000212188 [1,1,0,0,0,0|1,0,0]=3 6069 B12R0.239 CCCCCC(=O)NC(C)CCC 1626a_100000741246_100000212188 [1,1,0,0,0,0|1,0,0]=3 6070 B12R0.239 CCCCCC(=O)NC(C)CCC 240690a_100000741246_100000212188 [1,1,0,0,0,0|1,0,0]=3 6071 B12R0.239 CCCCCC(=O)NC(C)CCC 527a_100000741246_100000212188 [1,1,0,0,0,0|1,0,0]=3 6072 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000212188 [1,1,0,0,0,0|1,1,0]=4 6073 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000212188 [1,1,0,0,0,0|1,1,0]=4 6074 B12R0.239 CCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000212188 [1,1,0,0,0,0|1,1,0]=4 6075 B12R0.239 CCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000212188 [1,1,0,0,0,0|1,1,0]=4 6076 B12R0.239 CCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000212188 [1,1,0,0,0,0|1,1,0]=4 6077 B12R0.239 CCCCCC(=O)N[C@H](C)COC 527a_100000764878_100000212188 [1,1,0,0,0,0|1,1,0]=4 6078 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100000764384_200011218191 [1,1,0,0,0,0|1,0,1]=4 6079 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100011215632_100000766640 [1,1,0,0,0,0|1,0,1]=4 6080 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100000764384_200011218191 [1,1,0,0,0,0|1,0,1]=4 6081 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100011215632_100000766640 [1,1,0,0,0,0|1,0,1]=4 6082 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [1,1,0,0,0,0|1,0,1]=4 6083 B12R0.239 CCCCNC(=O)CC(=O)CSC 1458a_100000184570_100000182744 [1,1,0,0,0,0|1,0,1]=4 6084 B12R0.239 CCCCNC(=O)CC(C)CCC 11a_100000102301_100000748435 [1,1,0,0,0,0|1,0,0]=3 6085 B12R0.239 CCCCNC(=O)CC(C)CCC 1626a_100000102301_100000748435 [1,1,0,0,0,0|1,0,0]=3 6086 B12R0.239 CCCCNC(=O)CC(C)CCC 240690a_100000102301_100000748435 [1,1,0,0,0,0|1,0,0]=3 6087 B12R0.239 CCCCNC(=O)CC(C)CCC 527a_100000102301_100000748435 [1,1,0,0,0,0|1,0,0]=3 6088 B12R0.239 CCCCNC(=O)CC(C)SCC 11a_100000102301_200011311441 [1,1,0,0,0,0|2,0,0]=4 6089 B12R0.239 CCCCNC(=O)CC(C)SCC 1626a_100000102301_200011311441 [1,1,0,0,0,0|2,0,0]=4 6090 B12R0.239 CCCCNC(=O)CC(C)SCC 240690a_100000102301_200011311441 [1,1,0,0,0,0|2,0,0]=4 6091 B12R0.239 CCCCNC(=O)CC(C)SCC 527a_100000102301_200011311441 [1,1,0,0,0,0|2,0,0]=4 6092 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_100000747261_100000182744 [1,1,0,0,0,0|2,0,0]=4 6093 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_200000213093_100000210303 [1,1,0,0,0,0|2,0,0]=4 6094 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_100000747261_100000182744 [1,1,0,0,0,0|2,0,0]=4 6095 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_200000213093_100000210303 [1,1,0,0,0,0|2,0,0]=4 6096 B12R0.239 CCCCNC(=O)CN(C)CSC 2230a_200000213093_100011218213 [1,1,0,0,0,0|2,0,0]=4 6097 B12R0.239 CCCCNC(=O)CN(C)CSC 269982a_200000213093_100011218213 [1,1,0,0,0,0|2,0,0]=4 6098 B12R0.239 CCCCNC(=O)CS(=O)CCC 11a_100000102301_100011387404 [1,1,0,0,0,0|2,0,0]=4 6099 B12R0.239 CCCCNC(=O)CS(=O)CCC 1626a_100000102301_100011387404 [1,1,0,0,0,0|2,0,0]=4 6100 B12R0.239 CCCCNC(=O)CS(=O)CCC 240690a_100000102301_100011387404 [1,1,0,0,0,0|2,0,0]=4 6101 B12R0.239 CCCCNC(=O)CS(=O)CCC 527a_100000102301_100011387404 [1,1,0,0,0,0|2,0,0]=4 6102 B12R0.239 CCCCNC(=O)NC(C)CCC 2708a_100000102301_100000741246 [1,1,0,0,0,0|2,0,0]=4 6103 B12R0.239 CCCCNC(=O)NC(C)CCC 2708a_100000741246_100000102301 [1,1,0,0,0,0|2,0,0]=4 6104 B12R0.239 CCCCNC(=O)NC(C)CCC 273464a_100000741246_100000102301 [1,1,0,0,0,0|2,0,0]=4 6105 B12R0.239 CCCCNC(=O)NC(C)CCC 512a_100000102301_100000741246 [1,1,0,0,0,0|2,0,0]=4 6106 B12R0.239 CCCCNC(=O)NC(C)CCC 512a_100000741246_100000102301 [1,1,0,0,0,0|2,0,0]=4 6107 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [1,1,0,0,0,0|0,0,1]=3 6108 B12R0.239 CCCCOC(=O)CC(=O)CCO 1458a_100011216618_100000211628 [1,1,0,0,0,0|1,0,1]=4 6109 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [1,1,0,0,0,0|1,0,1]=4 6110 B12R0.239 CCCCOC(=O)CC(=O)CSC 1458a_100000184570_100000211628 [1,1,0,0,0,0|1,0,1]=4 6111 B12R0.239 CCCCOC(=O)CN(C)CCC 2230a_100000747261_100000211628 [1,1,0,0,0,0|1,0,0]=3 6112 B12R0.239 CCCCOC(=O)CN(C)CCC 269982a_100000747261_100000211628 [1,1,0,0,0,0|1,0,0]=3 6113 B12R0.239 CCCCOC(=O)CN(C)CCO 2230a_100000210263_100000211628 [1,1,0,0,0,0|2,0,0]=4 6114 B12R0.239 CCCCOC(=O)CN(C)CCO 269982a_100000210263_100000211628 [1,1,0,0,0,0|2,0,0]=4 6115 B12R0.239 CCCN(C)CC(=O)OCCOC 2230a_100000747261_200000040189 [1,1,0,0,0,0|1,1,0]=4 6116 B12R0.239 CCCN(C)CC(=O)OCCOC 269982a_100000747261_200000040189 [1,1,0,0,0,0|1,1,0]=4 6117 B12R0.239 CCCNNC(=O)CC(C)CCC 22a_100000740057_100000748435 [1,1,0,0,0,0|2,0,0]=4 6118 B12R0.239 CCCOCC(=O)CC(C)CCC 1458a_100000745993_100011216630 [1,1,0,0,0,0|2,0,0]=4 6119 B12R0.239 CCCOCC(=O)NC(C)CCC 11a_100000741246_100000745993 [1,1,0,0,0,0|2,0,0]=4 6120 B12R0.239 CCCOCC(=O)NC(C)CCC 1626a_100000741246_100000745993 [1,1,0,0,0,0|2,0,0]=4 6121 B12R0.239 CCCOCC(=O)NC(C)CCC 240690a_100000741246_100000745993 [1,1,0,0,0,0|2,0,0]=4 6122 B12R0.239 CCCOCC(=O)NC(C)CCC 527a_100000741246_100000745993 [1,1,0,0,0,0|2,0,0]=4 6123 B12R0.239 CCCS(=O)CC(=O)CCCOC 1458a_100011387404_100000740836 [1,1,0,0,0,0|1,1,0]=4 6124 B12R0.239 CCCS(=O)CC(=O)NCCSC 11a_100020590264_100011387404 [1,1,0,0,0,0|2,0,0]=4 6125 B12R0.239 CCCS(=O)CC(=O)NCCSC 1626a_100020590264_100011387404 [1,1,0,0,0,0|2,0,0]=4 6126 B12R0.239 CCCS(=O)CC(=O)NCCSC 240690a_100020590264_100011387404 [1,1,0,0,0,0|2,0,0]=4 6127 B12R0.239 CCCS(=O)CC(=O)NCCSC 527a_100020590264_100011387404 [1,1,0,0,0,0|2,0,0]=4 6128 B12R0.239 CCCSCC(=O)CC(C)CCC 1458a_100000217233_100011216630 [1,1,0,0,0,0|2,0,0]=4 6129 B12R0.239 CCCSCC(=O)NC(C)CCC 11a_100000741246_100000217233 [1,1,0,0,0,0|2,0,0]=4 6130 B12R0.239 CCCSCC(=O)NC(C)CCC 1626a_100000741246_100000217233 [1,1,0,0,0,0|2,0,0]=4 6131 B12R0.239 CCCSCC(=O)NC(C)CCC 240690a_100000741246_100000217233 [1,1,0,0,0,0|2,0,0]=4 6132 B12R0.239 CCCSCC(=O)NC(C)CCC 527a_100000741246_100000217233 [1,1,0,0,0,0|2,0,0]=4 6133 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [1,1,0,0,0,0|1,0,1]=4 6134 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [1,1,0,0,0,0|1,0,1]=4 6135 B12R0.239 CCSC(C)CC(=O)CCCOC 1458a_200011311441_100000740836 [1,1,0,0,0,0|1,1,0]=4 6136 B12R0.239 CCSC(C)CC(=O)NCCSC 11a_100020590264_200011311441 [1,1,0,0,0,0|2,0,0]=4 6137 B12R0.239 CCSC(C)CC(=O)NCCSC 1626a_100020590264_200011311441 [1,1,0,0,0,0|2,0,0]=4 6138 B12R0.239 CCSC(C)CC(=O)NCCSC 240690a_100020590264_200011311441 [1,1,0,0,0,0|2,0,0]=4 6139 B12R0.239 CCSC(C)CC(=O)NCCSC 527a_100020590264_200011311441 [1,1,0,0,0,0|2,0,0]=4 6140 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 11a_100000764878_100000173376 [1,1,0,0,0,0|2,0,0]=4 6141 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 1626a_100000764878_100000173376 [1,1,0,0,0,0|2,0,0]=4 6142 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 240690a_100000764878_100000173376 [1,1,0,0,0,0|2,0,0]=4 6143 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 527a_100000764878_100000173376 [1,1,0,0,0,0|2,0,0]=4 6144 B12R0.239 CSCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000173376 [1,1,0,0,0,0|2,0,0]=4 6145 B12R0.239 CSCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000173376 [1,1,0,0,0,0|2,0,0]=4 6146 B12R0.634 CCCCCS(=O)(=O)NCCCC 270084a_100000102301_100000753860 [1,1,0,0,0,0|2,0,0]=4 6147 B12R0.634 CCCCCS(=O)(=O)NCCCC 274078a_100000102301_100000753860 [1,1,0,0,0,0|2,0,0]=4 6148 B12R0.634 CCCCCS(=O)(=O)NCCSC 270084a_100020590264_100000753860 [1,1,0,0,0,0|2,0,0]=4 6149 B12R0.634 CCCCCS(=O)(=O)NCCSC 274078a_100020590264_100000753860 [1,1,0,0,0,0|2,0,0]=4 6150 B14R0.2 CC(C)CCCC(=O)CCCCCCF 1458a_100011216857_100015922095 [0,2,0,0,0,0|2,0,0]=4 6151 B14R0.2 CC(C)CCCC(=O)CCCCCCO 1458a_100011216857_100000766143 [0,2,0,0,0,0|2,0,0]=4 6152 B14R0.2 CC(C)CCCC(=O)CCCCCCO 1458a_100011996774_100011214892 [0,2,0,0,0,0|2,0,0]=4 6153 B14R0.2 CC(C)CCCC(=O)NCCCCCO 240690a_100000762737_100011216857 [0,2,0,0,0,0|2,0,0]=4 6154 B14R0.2 CC(O)CCCC(=O)CCCCCCO 1458a_100011996774_200000718107 [0,2,0,0,0,0|2,0,0]=4 6155 B14R0.2 CCCCCC#CC(=O)CCCC(C)C 1458a_100011215388_100011214892 [0,2,0,0,0,0|2,0,0]=4 6156 B14R0.2 CCCCCC#CC(=O)CCCC(C)O 1458a_100011215388_200000718107 [0,2,0,0,0,0|2,0,0]=4 6157 B14R0.2 CCCCCC=CC(=O)CCCC(C)C 1458a_100016263427_100011214892 [0,2,0,0,0,0|2,0,0]=4 6158 B14R0.2 CCCCCC=CC(=O)CCCC(C)O 1458a_100016263427_200000718107 [0,2,0,0,0,0|2,0,0]=4 6159 B14R0.2 CCCCCCCC(=O)CCCC(C)C 1458a_100000211969_100011214892 [0,2,0,0,0,0|2,0,0]=4 6160 B14R0.2 CCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210614 [0,2,0,0,0,0|2,0,0]=4 6161 B14R0.2 CCCCCCCC(=O)CCCC(C)O 1458a_100000211969_200000718107 [0,2,0,0,0,0|2,0,0]=4 6162 B14R0.2 CCCCCCNC(=O)CCCC(C)C 11a_100000210581_100011216857 [0,2,0,0,0,0|2,0,0]=4 6163 B14R0.2 CCCCCCNC(=O)CCCC(C)C 1626a_100000210581_100011216857 [0,2,0,0,0,0|2,0,0]=4 6164 B14R0.2 CCCCCCNC(=O)CCCC(C)C 240690a_100000210581_100011216857 [0,2,0,0,0,0|2,0,0]=4 6165 B14R0.2 CCCCCCNC(=O)CCCC(C)C 527a_100000210581_100011216857 [0,2,0,0,0,0|2,0,0]=4 6166 B14R0.2 CCCCCCNC(=O)CCCC(C)O 1626a_100000210581_100000761597 [0,2,0,0,0,0|2,0,0]=4 6167 B14R0.2 CCCCCCNC(=O)CCCC(C)O 527a_100000210581_100000761597 [0,2,0,0,0,0|2,0,0]=4 6168 B14R0.2 CCCCCNNC(=O)CCCC(C)C 22a_100000694160_100011216857 [0,2,0,0,0,0|2,0,0]=4 6169 B14R0.2 CCCCCNNC(=O)CCCC(C)O 22a_100000694160_100000761597 [0,2,0,0,0,0|2,0,0]=4 6170 B14R0.2 CCCCOCCC(=O)CCCC(C)C 1458a_100011216857_100000743108 [0,2,0,0,0,0|2,0,0]=4 6171 B14R0.2 CCCOCCNC(=O)CCCC(C)C 1626a_100161115042_100011216857 [0,2,0,0,0,0|2,0,0]=4 6172 B14R0.2 CCCOCCNC(=O)CCCC(C)C 240690a_100161115042_100011216857 [0,2,0,0,0,0|2,0,0]=4 6173 B14R0.2 CCCOCCNC(=O)CCCC(C)C 527a_100161115042_100011216857 [0,2,0,0,0,0|2,0,0]=4 6174 B14R0.2 CCCOCCNC(=O)CCCC(C)O 1626a_100161115042_100000761597 [0,2,0,0,0,0|2,0,0]=4 6175 B14R0.2 CCCOCCNC(=O)CCCC(C)O 527a_100161115042_100000761597 [0,2,0,0,0,0|2,0,0]=4 6176 B14R0.2 CCCSCCNC(=O)CCCC(C)C 11a_100020603323_100011216857 [0,2,0,0,0,0|2,0,0]=4 6177 B14R0.2 CCCSCCNC(=O)CCCC(C)C 240690a_100020603323_100011216857 [0,2,0,0,0,0|2,0,0]=4 6178 B14R0.2 CCCSCCNC(=O)CCCC(C)C 527a_100020603323_100011216857 [0,2,0,0,0,0|2,0,0]=4 6179 B14R0.2 CCCSCCNC(=O)CCCC(C)O 527a_100020603323_100000761597 [0,2,0,0,0,0|2,0,0]=4 6180 B14R0.2 CCOCCCNC(=O)CCCC(C)C 11a_100000210961_100011216857 [0,2,0,0,0,0|1,1,0]=4 6181 B14R0.2 CCOCCCNC(=O)CCCC(C)C 1626a_100000210961_100011216857 [0,2,0,0,0,0|1,1,0]=4 6182 B14R0.2 CCOCCCNC(=O)CCCC(C)C 240690a_100000210961_100011216857 [0,2,0,0,0,0|1,1,0]=4 6183 B14R0.2 CCOCCCNC(=O)CCCC(C)C 527a_100000210961_100011216857 [0,2,0,0,0,0|1,1,0]=4 6184 B14R0.2 CCOCCCNC(=O)CCCC(C)O 1626a_100000210961_100000761597 [0,2,0,0,0,0|1,1,0]=4 6185 B14R0.2 CCOCCCNC(=O)CCCC(C)O 527a_100000210961_100000761597 [0,2,0,0,0,0|1,1,0]=4 6186 B14R0.2 COCCCCCC(=O)CCCC(C)C 1458a_100011935119_100011214892 [0,2,0,0,0,0|1,1,0]=4 6187 B14R0.2 COCCCCCC(=O)CCCC(C)O 1458a_100011935119_200000718107 [0,2,0,0,0,0|1,1,0]=4 6188 B14R0.2 COCCCNNC(=O)CCCC(C)C 22a_100025702787_100011216857 [0,2,0,0,0,0|1,1,0]=4 6189 B14R0.2 COCCCNNC(=O)CCCC(C)O 22a_100025702787_100000761597 [0,2,0,0,0,0|1,1,0]=4 6190 B14R0.2 COCCOCCC(=O)CCCC(C)C 1458a_100000745395_100011214892 [0,2,0,0,0,0|1,1,0]=4 6191 B14R0.2 COCCOCCC(=O)CCCC(C)C 1458a_100011216857_100000695917 [0,2,0,0,0,0|1,1,0]=4 6192 B14R0.2 COCCOCCC(=O)CCCC(C)O 1458a_100000745395_200000718107 [0,2,0,0,0,0|1,1,0]=4 6193 B14R0.12 CCC(C)CCNC(=O)CCCCCO 240690a_100020591266_100102619762 [0,2,0,0,0,0|2,0,0]=4 6194 B14R0.12 CCC(C)CCNC(=O)NCCCOC 2708a_100020591266_100150723488 [0,2,0,0,0,0|1,1,0]=4 6195 B14R0.12 CCC(C)CCNC(=O)NCCCOC 2708a_100150723488_100020591266 [0,2,0,0,0,0|1,1,0]=4 6196 B14R0.12 CCC(C)CCNC(=O)NCCCOC 273464a_100020591266_100150723488 [0,2,0,0,0,0|1,1,0]=4 6197 B14R0.12 CCC(C)CCNC(=O)NCCCOC 273464a_100150723488_100020591266 [0,2,0,0,0,0|1,1,0]=4 6198 B14R0.12 CCC(C)CCNC(=O)NCCCOC 512a_100020591266_100150723488 [0,2,0,0,0,0|1,1,0]=4 6199 B14R0.12 CCC(C)CCNC(=O)NCCCSC 2708a_100000749238_100020591266 [0,2,0,0,0,0|1,0,0]=3 6200 B14R0.12 CCC(C)CCNC(=O)NCCCSC 2708a_100020591266_100000749238 [0,2,0,0,0,0|1,0,0]=3 6201 B14R0.12 CCC(C)CCNC(=O)NCCCSC 273464a_100000749238_100020591266 [0,2,0,0,0,0|1,0,0]=3 6202 B14R0.12 CCC(C)CCNC(=O)NCCCSC 273464a_100020591266_100000749238 [0,2,0,0,0,0|1,0,0]=3 6203 B14R0.12 CCC(C)CCNC(=O)NCCCSC 512a_100000749238_100020591266 [0,2,0,0,0,0|1,0,0]=3 6204 B14R0.12 CCC(C)CCNC(=O)NCCCSC 512a_100020591266_100000749238 [0,2,0,0,0,0|1,0,0]=3 6205 B14R0.12 CCC(C)CNCC(=O)NCCCOC 2230a_100020588543_100000183178 [0,2,0,0,0,0|1,1,0]=4 6206 B14R0.12 CCC(C)CSCC(=O)NCCCOC 62a_100000183178_100000748023 [0,2,0,0,0,0|1,1,0]=4 6207 B14R0.12 CCC(O)CNCC(=O)NCCCOC 2230a_100011218483_100000183178 [0,2,0,0,0,0|1,1,0]=4 6208 B14R0.12 CCC(O)CNNC(=O)NCCCSC 273464a_100000749238_100015206393 [0,2,0,0,0,0|2,0,0]=4 6209 B14R0.12 CCC(O)CNNC(=O)NCCCSC 512a_100000749238_100015206393 [0,2,0,0,0,0|2,0,0]=4 6210 B14R0.12 CCC(O)CNNC(=O)NCCCSC 512a_100015206393_100000749238 [0,2,0,0,0,0|2,0,0]=4 6211 B14R0.12 CCC(O)CSCC(=O)NCCCOC 62a_100000183178_100011218378 [0,2,0,0,0,0|1,1,0]=4 6212 B14R0.12 CCCCCCC(=O)CCCN(C)CC 1458a_100102632555_100015186262 [0,2,0,0,0,0|2,0,0]=4 6213 B14R0.12 CCCCCCC(=O)NCCC(C)CC 11a_100020591266_100102632555 [0,2,0,0,0,0|2,0,0]=4 6214 B14R0.12 CCCCCCC(=O)NCCC(C)CC 1626a_100020591266_100102632555 [0,2,0,0,0,0|2,0,0]=4 6215 B14R0.12 CCCCCCC(=O)NCCC(C)CC 240690a_100020591266_100102632555 [0,2,0,0,0,0|2,0,0]=4 6216 B14R0.12 CCCCCCC(=O)NCCC(C)CC 527a_100020591266_100102632555 [0,2,0,0,0,0|2,0,0]=4 6217 B14R0.12 CCCCCNC(=O)CNCC(C)CC 2230a_100020588543_100000230301 [0,2,0,0,0,0|2,0,0]=4 6218 B14R0.12 CCCCCNC(=O)CNCC(O)CC 2230a_100011218483_100000230301 [0,2,0,0,0,0|2,0,0]=4 6219 B14R0.12 CCCCCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000230301 [0,2,0,0,0,0|2,0,0]=4 6220 B14R0.12 CCCCCNC(=O)CSCC(C)CC 62a_100000230301_100000748023 [0,2,0,0,0,0|2,0,0]=4 6221 B14R0.12 CCCCCNC(=O)CSCC(C)CC 62a_100000748023_100000230301 [0,2,0,0,0,0|2,0,0]=4 6222 B14R0.12 CCCCCNC(=O)CSCC(O)CC 62a_100000230301_100011218378 [0,2,0,0,0,0|2,0,0]=4 6223 B14R0.12 CCCCCNC(=O)CSCC(O)CC 62a_100011218378_100000230301 [0,2,0,0,0,0|2,0,0]=4 6224 B14R0.12 CCCCCNC(=O)CSC[C@@H](C)CC 62a_100000230301_100009816398 [0,2,0,0,0,0|2,0,0]=4 6225 B14R0.12 CCCCCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000230301 [0,2,0,0,0,0|2,0,0]=4 6226 B14R0.12 CCCCCNC(=O)NCCC(C)CC 2708a_100000209983_100020591266 [0,2,0,0,0,0|2,0,0]=4 6227 B14R0.12 CCCCCNC(=O)NCCC(C)CC 2708a_100020591266_100000209983 [0,2,0,0,0,0|2,0,0]=4 6228 B14R0.12 CCCCCNC(=O)NCCC(C)CC 273464a_100000209983_100020591266 [0,2,0,0,0,0|2,0,0]=4 6229 B14R0.12 CCCCCNC(=O)NCCC(C)CC 273464a_100020591266_100000209983 [0,2,0,0,0,0|2,0,0]=4 6230 B14R0.12 CCCCCNC(=O)NCCC(C)CC 512a_100000209983_100020591266 [0,2,0,0,0,0|2,0,0]=4 6231 B14R0.12 CCCCCNC(=O)NCCC(C)CC 512a_100020591266_100000209983 [0,2,0,0,0,0|2,0,0]=4 6232 B14R0.12 CCCCOCC(=O)NCCC(C)CC 11a_100020591266_100000757543 [0,2,0,0,0,0|2,0,0]=4 6233 B14R0.12 CCCCOCC(=O)NCCC(C)CC 1626a_100020591266_100000757543 [0,2,0,0,0,0|2,0,0]=4 6234 B14R0.12 CCCCOCC(=O)NCCC(C)CC 240690a_100020591266_100000757543 [0,2,0,0,0,0|2,0,0]=4 6235 B14R0.12 CCCCOCC(=O)NCCC(C)CC 527a_100020591266_100000757543 [0,2,0,0,0,0|2,0,0]=4 6236 B14R0.12 CCCCSCC(=O)NCCC(C)CC 11a_100020591266_100000191162 [0,2,0,0,0,0|2,0,0]=4 6237 B14R0.12 CCCCSCC(=O)NCCC(C)CC 1626a_100020591266_100000191162 [0,2,0,0,0,0|2,0,0]=4 6238 B14R0.12 CCCCSCC(=O)NCCC(C)CC 240690a_100020591266_100000191162 [0,2,0,0,0,0|2,0,0]=4 6239 B14R0.12 CCCCSCC(=O)NCCC(C)CC 527a_100020591266_100000191162 [0,2,0,0,0,0|2,0,0]=4 6240 B14R0.12 CCOCCOC(=O)CNCC(C)CC 2230a_100020588543_200000101388 [0,2,0,0,0,0|2,0,0]=4 6241 B14R0.12 CCOCCOC(=O)CNCC(O)CC 2230a_100011218483_200000101388 [0,2,0,0,0,0|2,0,0]=4 6242 B14R0.12 CCOCCOC(=O)COC[C@@H](C)CC 7a_100009816381_200000101388 [0,2,0,0,0,0|2,0,0]=4 6243 B14R0.12 CCOCCOC(=O)CSCC(C)CC 62a_100000748023_200000101388 [0,2,0,0,0,0|2,0,0]=4 6244 B14R0.12 CCOCCOC(=O)CSCC(C)CC 62a_200000101388_100000748023 [0,2,0,0,0,0|2,0,0]=4 6245 B14R0.12 CCOCCOC(=O)CSCC(O)CC 62a_100011218378_200000101388 [0,2,0,0,0,0|2,0,0]=4 6246 B14R0.12 CCOCCOC(=O)CSCC(O)CC 62a_200000101388_100011218378 [0,2,0,0,0,0|2,0,0]=4 6247 B14R0.12 CCOCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_200000101388 [0,2,0,0,0,0|2,0,0]=4 6248 B14R0.12 CCOCCOC(=O)CSC[C@@H](C)CC 62a_200000101388_100009816398 [0,2,0,0,0,0|2,0,0]=4 6249 B14R0.12 CC[C@H](C)COCC(=O)NCCCOC 7a_100009816381_100000183178 [0,2,0,0,0,0|1,1,0]=4 6250 B14R0.12 CC[C@H](C)CSCC(=O)NCCCOC 62a_100000183178_100009816398 [0,2,0,0,0,0|1,1,0]=4 6251 B14R0.12 COC(=O)CCCC(=O)NCCCSC 11a_100000749238_100000239890 [0,2,0,0,0,0|1,0,1]=4 6252 B14R0.12 COC(=O)CCCC(=O)NCCCSC 1626a_100000749238_100000239890 [0,2,0,0,0,0|1,0,1]=4 6253 B14R0.12 COC(=O)CCCC(=O)NCCCSC 240690a_100000749238_100000239890 [0,2,0,0,0,0|1,0,1]=4 6254 B14R0.12 COC(=O)CCCC(=O)NCCCSC 527a_100000749238_100000239890 [0,2,0,0,0,0|1,0,1]=4 6255 B14R0.12 CSCCCNC(=O)CCCN(C)N=O 11a_100000749238_200000076914 [0,2,0,0,0,0|2,0,0]=4 6256 B14R0.12 CSCCCNC(=O)CCCN(C)N=O 1626a_100000749238_200000076914 [0,2,0,0,0,0|2,0,0]=4 6257 B14R0.12 CSCCCNC(=O)CCCN(C)N=O 240690a_100000749238_200000076914 [0,2,0,0,0,0|2,0,0]=4 6258 B14R0.12 CSCCCNC(=O)CCCN(C)N=O 527a_100000749238_200000076914 [0,2,0,0,0,0|2,0,0]=4 6259 B14R0.12 CSCCCNC(=O)NCCC(C)CO 2708a_100000749238_106354213184 [0,2,0,0,0,0|2,0,0]=4 6260 B14R0.12 CSCCCNC(=O)NCCC(C)CO 273464a_100000749238_106354213184 [0,2,0,0,0,0|2,0,0]=4 6261 B14R0.12 CSCCCNC(=O)NCCC(C)CO 273464a_106354213184_100000749238 [0,2,0,0,0,0|2,0,0]=4 6262 B14R0.12 CSCCCNC(=O)NCCC(C)CO 512a_100000749238_106354213184 [0,2,0,0,0,0|2,0,0]=4 6263 B14R0.12 CSCCCNC(=O)NCCC(C)CO 512a_106354213184_100000749238 [0,2,0,0,0,0|2,0,0]=4 6264 B14R0.67 CC(=O)CCCCC(=O)CCCC(C)C 1458a_100011216857_100000735457 [0,2,0,0,0,0|2,0,0]=4 6265 B14R0.67 CC(C)CCCC(=O)NCCCN(C)C 240690a_102531767803_100011216857 [0,2,0,0,0,0|2,0,0]=4 6266 B14R0.67 CC(C)CCCC(=O)NCCCN(C)C 527a_102531767803_100011216857 [0,2,0,0,0,0|2,0,0]=4 6267 B14R0.67 CC(C)CCCC(=O)NCCCS(=O)C 11a_200000753449_100011216857 [0,2,0,0,0,0|1,0,1]=4 6268 B14R0.67 CC(C)CCCC(=O)NCCCS(=O)C 240690a_200000753449_100011216857 [0,2,0,0,0,0|1,0,1]=4 6269 B14R0.67 CC(C)CCCC(=O)NCCCS(=O)C 527a_200000753449_100011216857 [0,2,0,0,0,0|1,0,1]=4 6270 B14R0.67 CC(C)CCCCC(=O)CCCC(C)C 1458a_100011216857_100011216152 [0,2,0,0,0,0|2,0,0]=4 6271 B14R0.67 CC(C)CCCCC(=O)CCCC(C)C 1458a_100011933920_100011214892 [0,2,0,0,0,0|2,0,0]=4 6272 B14R0.67 CC(C)CCCCC(=O)CCCC(C)O 1458a_100011933920_200000718107 [0,2,0,0,0,0|2,0,0]=4 6273 B14R0.67 CC(C)CCCNC(=O)CCCC(C)C 11a_200000737386_100011216857 [0,2,0,0,0,0|2,0,0]=4 6274 B14R0.67 CC(C)CCCNC(=O)CCCC(C)C 1626a_200000737386_100011216857 [0,2,0,0,0,0|2,0,0]=4 6275 B14R0.67 CC(C)CCCNC(=O)CCCC(C)C 240690a_200000737386_100011216857 [0,2,0,0,0,0|2,0,0]=4 6276 B14R0.67 CC(C)CCCNC(=O)CCCC(C)C 527a_200000737386_100011216857 [0,2,0,0,0,0|2,0,0]=4 6277 B14R0.67 CC(C)CCCNC(=O)CCCC(C)O 1626a_200000737386_100000761597 [0,2,0,0,0,0|2,0,0]=4 6278 B14R0.67 CC(C)CCCNC(=O)CCCC(C)O 527a_200000737386_100000761597 [0,2,0,0,0,0|2,0,0]=4 6279 B14R0.67 CC(O)CCCC(=O)NCCCN(C)C 527a_102531767803_100000761597 [0,2,0,0,0,0|2,0,0]=4 6280 B14R0.67 CC(O)CCCC(=O)NCCCS(=O)C 527a_200000753449_100000761597 [0,2,0,0,0,0|1,0,1]=4 6281 B14R0.74 CCCCC(C)NC(=O)CCCC(C)C 11a_100000126638_100011216857 [0,2,0,0,0,0|2,0,0]=4 6282 B14R0.74 CCCCC(C)NC(=O)CCCC(C)C 1626a_100000126638_100011216857 [0,2,0,0,0,0|2,0,0]=4 6283 B14R0.74 CCCCC(C)NC(=O)CCCC(C)C 240690a_100000126638_100011216857 [0,2,0,0,0,0|2,0,0]=4 6284 B14R0.74 CCCCC(C)NC(=O)CCCC(C)C 527a_100000126638_100011216857 [0,2,0,0,0,0|2,0,0]=4 6285 B14R0.74 CCCCC(C)NC(=O)CCCC(C)O 1626a_100000126638_100000761597 [0,2,0,0,0,0|2,0,0]=4 6286 B14R0.74 CCCCC(C)NC(=O)CCCC(C)O 527a_100000126638_100000761597 [0,2,0,0,0,0|2,0,0]=4 6287 B14R0.180 CSCCCNC(=O)CCN(C)C(C)C 1626a_100000749238_100015184040 [0,2,0,0,0,0|2,0,0]=4 6288 B14R0.180 CSCCCNC(=O)CCN(C)C(C)C 240690a_100000749238_100015184040 [0,2,0,0,0,0|2,0,0]=4 6289 B14R0.180 CSCCCNC(=O)NCC(O)C(C)C 2708a_100000749238_100000759067 [0,2,0,0,0,0|2,0,0]=4 6290 B14R0.180 CSCCCNC(=O)NCC(O)C(C)C 273464a_100000749238_100000759067 [0,2,0,0,0,0|2,0,0]=4 6291 B14R0.180 CSCCCNC(=O)NCC(O)C(C)C 273464a_100000759067_100000749238 [0,2,0,0,0,0|2,0,0]=4 6292 B14R0.180 CSCCCNC(=O)NCC(O)C(C)C 512a_100000749238_100000759067 [0,2,0,0,0,0|2,0,0]=4 6293 B14R0.180 CSCCCNC(=O)NCC(O)C(C)C 512a_100000759067_100000749238 [0,2,0,0,0,0|2,0,0]=4 6294 B14R0.186 CCCCCC(=O)N(C)CCCN(C)C 240690a_100000225831_100000212188 [0,2,0,0,0,0|2,0,0]=4 6295 B14R0.186 CCCCCC(C)C(=O)CCCC(C)C 1458a_100011215998_100011214892 [0,2,0,0,0,0|2,0,0]=4 6296 B14R0.186 CCCCCC(C)C(=O)CCCC(C)C 1458a_100011216857_200011218191 [0,2,0,0,0,0|2,0,0]=4 6297 B14R0.186 CCCCCC(C)C(=O)CCCC(C)O 1458a_100011215998_200000718107 [0,2,0,0,0,0|2,0,0]=4 6298 B14R0.186 CCCCCN(C)C(=O)CCCC(C)C 11a_100000223495_100011216857 [0,2,0,0,0,0|2,0,0]=4 6299 B14R0.186 CCCCCN(C)C(=O)CCCC(C)C 1626a_100000223495_100011216857 [0,2,0,0,0,0|2,0,0]=4 6300 B14R0.186 CCCCCN(C)C(=O)CCCC(C)C 240690a_100000223495_100011216857 [0,2,0,0,0,0|2,0,0]=4 6301 B14R0.186 CCCCCN(C)C(=O)CCCC(C)C 527a_100000223495_100011216857 [0,2,0,0,0,0|2,0,0]=4 6302 B14R0.186 CCCCCN(C)C(=O)CCCC(C)O 1626a_100000223495_100000761597 [0,2,0,0,0,0|2,0,0]=4 6303 B14R0.186 CCCCCN(C)C(=O)CCCC(C)O 527a_100000223495_100000761597 [0,2,0,0,0,0|2,0,0]=4 6304 B14R0.186 COCCCN(C)C(=O)CCCC(C)C 11a_100000224831_100011216857 [0,2,0,0,0,0|1,1,0]=4 6305 B14R0.186 COCCCN(C)C(=O)CCCC(C)C 1626a_100000224831_100011216857 [0,2,0,0,0,0|1,1,0]=4 6306 B14R0.186 COCCCN(C)C(=O)CCCC(C)C 240690a_100000224831_100011216857 [0,2,0,0,0,0|1,1,0]=4 6307 B14R0.186 COCCCN(C)C(=O)CCCC(C)C 527a_100000224831_100011216857 [0,2,0,0,0,0|1,1,0]=4 6308 B14R0.186 COCCCN(C)C(=O)CCCC(C)O 1626a_100000224831_100000761597 [0,2,0,0,0,0|1,1,0]=4 6309 B14R0.186 COCCCN(C)C(=O)CCCC(C)O 527a_100000224831_100000761597 [0,2,0,0,0,0|1,1,0]=4 6310 B14R0.200 CSCCCNC(=O)CCCC(F)(F)F 11a_100000749238_100000764234 [0,2,0,0,0,0|2,0,0]=4 6311 B14R0.200 CSCCCNC(=O)CCCC(F)(F)F 1626a_100000749238_100000764234 [0,2,0,0,0,0|2,0,0]=4 6312 B14R0.200 CSCCCNC(=O)CCCC(F)(F)F 240690a_100000749238_100000764234 [0,2,0,0,0,0|2,0,0]=4 6313 B14R0.200 CSCCCNC(=O)CCCC(F)(F)F 527a_100000749238_100000764234 [0,2,0,0,0,0|2,0,0]=4 6314 B14R0.200 CSCCCNC(=O)CCC[N+](C)(C)C 11a_100000749238_100000085584 [0,2,0,0,0,0|2,0,0]=4 6315 B14R0.200 CSCCCNC(=O)CCC[N+](C)(C)C 1626a_100000749238_100000085584 [0,2,0,0,0,0|2,0,0]=4 6316 B14R0.200 CSCCCNC(=O)CCC[N+](C)(C)C 240690a_100000749238_100000085584 [0,2,0,0,0,0|2,0,0]=4 6317 B14R0.200 CSCCCNC(=O)CCC[N+](C)(C)C 527a_100000749238_100000085584 [0,2,0,0,0,0|2,0,0]=4 6318 B14R0.200 CSCCCNC(=O)NCCC(C)(C)C 2708a_100000738805_100000749238 [0,2,0,0,0,0|2,0,0]=4 6319 B14R0.200 CSCCCNC(=O)NCCC(C)(C)C 2708a_100000749238_100000738805 [0,2,0,0,0,0|2,0,0]=4 6320 B14R0.200 CSCCCNC(=O)NCCC(C)(C)C 273464a_100000738805_100000749238 [0,2,0,0,0,0|2,0,0]=4 6321 B14R0.200 CSCCCNC(=O)NCCC(C)(C)C 273464a_100000749238_100000738805 [0,2,0,0,0,0|2,0,0]=4 6322 B14R0.200 CSCCCNC(=O)NCCC(C)(C)C 512a_100000738805_100000749238 [0,2,0,0,0,0|2,0,0]=4 6323 B14R0.200 CSCCCNC(=O)NCCC(C)(C)C 512a_100000749238_100000738805 [0,2,0,0,0,0|2,0,0]=4 6324 B14R0.200 CSCCCNC(=O)NCCC(C)(C)F 2708a_100000749238_100016253952 [0,2,0,0,0,0|2,0,0]=4 6325 B14R0.200 CSCCCNC(=O)NCCC(C)(C)F 2708a_100016253952_100000749238 [0,2,0,0,0,0|2,0,0]=4 6326 B14R0.200 CSCCCNC(=O)NCCC(C)(C)F 273464a_100000749238_100016253952 [0,2,0,0,0,0|2,0,0]=4 6327 B14R0.200 CSCCCNC(=O)NCCC(C)(C)F 273464a_100016253952_100000749238 [0,2,0,0,0,0|2,0,0]=4 6328 B14R0.200 CSCCCNC(=O)NCCC(C)(C)F 512a_100000749238_100016253952 [0,2,0,0,0,0|2,0,0]=4 6329 B14R0.200 CSCCCNC(=O)NCCC(C)(C)F 512a_100016253952_100000749238 [0,2,0,0,0,0|2,0,0]=4 6330 B14R0.200 CSCCCNC(=O)NCCC(C)(C)O 2708a_100000707701_100000749238 [0,2,0,0,0,0|2,0,0]=4 6331 B14R0.200 CSCCCNC(=O)NCCC(C)(C)O 2708a_100000749238_100000707701 [0,2,0,0,0,0|2,0,0]=4 6332 B14R0.200 CSCCCNC(=O)NCCC(C)(C)O 273464a_100000707701_100000749238 [0,2,0,0,0,0|2,0,0]=4 6333 B14R0.200 CSCCCNC(=O)NCCC(C)(C)O 273464a_100000749238_100000707701 [0,2,0,0,0,0|2,0,0]=4 6334 B14R0.200 CSCCCNC(=O)NCCC(C)(C)O 512a_100000707701_100000749238 [0,2,0,0,0,0|2,0,0]=4 6335 B14R0.200 CSCCCNC(=O)NCCC(C)(C)O 512a_100000749238_100000707701 [0,2,0,0,0,0|2,0,0]=4 6336 B14R0.304 CCC(C)CCNC(=O)CCCC(C)C 11a_100020591266_100011216857 [0,2,0,0,0,0|2,0,0]=4 6337 B14R0.304 CCC(C)CCNC(=O)CCCC(C)C 1626a_100020591266_100011216857 [0,2,0,0,0,0|2,0,0]=4 6338 B14R0.304 CCC(C)CCNC(=O)CCCC(C)C 240690a_100020591266_100011216857 [0,2,0,0,0,0|2,0,0]=4 6339 B14R0.304 CCC(C)CCNC(=O)CCCC(C)C 527a_100020591266_100011216857 [0,2,0,0,0,0|2,0,0]=4 6340 B14R0.304 CCC(C)CCNC(=O)CCCC(C)O 1626a_100020591266_100000761597 [0,2,0,0,0,0|2,0,0]=4 6341 B14R0.304 CCC(C)CCNC(=O)CCCC(C)O 527a_100020591266_100000761597 [0,2,0,0,0,0|2,0,0]=4 6342 B14R0.389 CSCCCNC(=O)NC(C)CC(C)C 2708a_100000692259_100000749238 [0,2,0,0,0,0|2,0,0]=4 6343 B14R0.389 CSCCCNC(=O)NC(C)CC(C)C 2708a_100000749238_100000692259 [0,2,0,0,0,0|2,0,0]=4 6344 B14R0.389 CSCCCNC(=O)NC(C)CC(C)C 273464a_100000692259_100000749238 [0,2,0,0,0,0|2,0,0]=4 6345 B14R0.389 CSCCCNC(=O)NC(C)CC(C)C 512a_100000692259_100000749238 [0,2,0,0,0,0|2,0,0]=4 6346 B14R0.389 CSCCCNC(=O)NC(C)CC(C)C 512a_100000749238_100000692259 [0,2,0,0,0,0|2,0,0]=4 6347 B14R0.431 COCC(O)CNC(=O)CCCC(C)C 240690a_100000756049_100011216857 [0,2,0,0,0,0|1,1,0]=4 6348 B14R0.431 COCC(O)CNC(=O)CCCC(C)C 527a_100000756049_100011216857 [0,2,0,0,0,0|1,1,0]=4 6349 B14R0.431 COCC(O)CNC(=O)CCCC(C)O 527a_100000756049_100000761597 [0,2,0,0,0,0|1,1,0]=4 6350 B14R0.511 CCCCCCC(=O)C(C)CCC(C)C 1458a_100102632555_100011261404 [0,2,0,0,0,0|2,0,0]=4 6351 B14R0.511 CSCCCNC(=O)N(C)CCC(C)C 2708a_100000749238_100000742789 [0,2,0,0,0,0|2,0,0]=4 6352 B14R0.511 CSCCCNC(=O)N(C)CCC(C)C 273464a_100000749238_100000742789 [0,2,0,0,0,0|2,0,0]=4 6353 B14R0.145 C#CCCCCCC(=O)CCCCCC 1458a_100000694772_100000210757 [0,2,0,0,0,0|2,0,0]=4 6354 B14R0.145 C#CCCCCCC(=O)CCCCCC 1458a_100102632555_100012094781 [0,2,0,0,0,0|2,0,0]=4 6355 B14R0.145 C#CCCCCCC(=O)CCCCOC 1458a_100000694772_100000755781 [0,2,0,0,0,0|1,1,0]=4 6356 B14R0.145 C#CCCCCCC(=O)NCCCCC 11a_100000209983_100000694772 [0,2,0,0,0,0|2,0,0]=4 6357 B14R0.145 C#CCCCCCC(=O)NCCCCC 1626a_100000209983_100000694772 [0,2,0,0,0,0|2,0,0]=4 6358 B14R0.145 C#CCCCCCC(=O)NCCCCC 240690a_100000209983_100000694772 [0,2,0,0,0,0|2,0,0]=4 6359 B14R0.145 C#CCCCCCC(=O)NCCCCC 527a_100000209983_100000694772 [0,2,0,0,0,0|2,0,0]=4 6360 B14R0.145 C#CCCCCCC(=O)NCCCOC 1626a_100150723488_100000694772 [0,2,0,0,0,0|1,1,0]=4 6361 B14R0.145 C#CCCCCCC(=O)NCCCOC 240690a_100150723488_100000694772 [0,2,0,0,0,0|1,1,0]=4 6362 B14R0.145 C#CCCCCCC(=O)NCCCOC 527a_100150723488_100000694772 [0,2,0,0,0,0|1,1,0]=4 6363 B14R0.145 C#CCCCCCC(=O)NCCCSC 11a_100000749238_100000694772 [0,2,0,0,0,0|1,0,0]=3 6364 B14R0.145 C#CCCCCCC(=O)NCCCSC 1626a_100000749238_100000694772 [0,2,0,0,0,0|1,0,0]=3 6365 B14R0.145 C#CCCCCCC(=O)NCCCSC 240690a_100000749238_100000694772 [0,2,0,0,0,0|1,0,0]=3 6366 B14R0.145 C#CCCCCCC(=O)NCCCSC 527a_100000749238_100000694772 [0,2,0,0,0,0|1,0,0]=3 6367 B14R0.145 C#CCCCCNC(=O)NCCCSC 2708a_100000706060_100000749238 [0,2,0,0,0,0|1,0,1]=4 6368 B14R0.145 C#CCCCCNC(=O)NCCCSC 2708a_100000749238_100000706060 [0,2,0,0,0,0|1,0,1]=4 6369 B14R0.145 C#CCCCCNC(=O)NCCCSC 273464a_100000706060_100000749238 [0,2,0,0,0,0|1,0,1]=4 6370 B14R0.145 C#CCCCCNC(=O)NCCCSC 273464a_100000749238_100000706060 [0,2,0,0,0,0|1,0,1]=4 6371 B14R0.145 C#CCCCCNC(=O)NCCCSC 512a_100000706060_100000749238 [0,2,0,0,0,0|1,0,1]=4 6372 B14R0.145 C#CCCCCNC(=O)NCCCSC 512a_100000749238_100000706060 [0,2,0,0,0,0|1,0,1]=4 6373 B14R0.145 C#CCCCOCC(=O)NCCCCC 34a_100000215630_100000230301 [0,2,0,0,0,0|1,0,1]=4 6374 B14R0.145 C#CCCCOCC(=O)NCCCCC 7a_100000215630_100000230301 [0,2,0,0,0,0|1,0,1]=4 6375 B14R0.145 C/C=C/CCOCC(=O)NCCCCC 34a_100016278192_100000230301 [0,2,0,0,0,0|1,0,1]=4 6376 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100011934241_100000210757 [0,2,0,0,0,0|2,0,0]=4 6377 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100102632555_100000700193 [0,2,0,0,0,0|2,0,0]=4 6378 B14R0.145 C=CCCCCCC(=O)CCCCOC 1458a_100011934241_100000755781 [0,2,0,0,0,0|1,1,0]=4 6379 B14R0.145 C=CCCCCCC(=O)NCCCCC 11a_100000209983_100011934241 [0,2,0,0,0,0|2,0,0]=4 6380 B14R0.145 C=CCCCCCC(=O)NCCCCC 1626a_100000209983_100011934241 [0,2,0,0,0,0|2,0,0]=4 6381 B14R0.145 C=CCCCCCC(=O)NCCCCC 240690a_100000209983_100011934241 [0,2,0,0,0,0|2,0,0]=4 6382 B14R0.145 C=CCCCCCC(=O)NCCCCC 527a_100000209983_100011934241 [0,2,0,0,0,0|2,0,0]=4 6383 B14R0.145 C=CCCCCCC(=O)NCCCOC 1626a_100150723488_100011934241 [0,2,0,0,0,0|1,1,0]=4 6384 B14R0.145 C=CCCCCCC(=O)NCCCOC 240690a_100150723488_100011934241 [0,2,0,0,0,0|1,1,0]=4 6385 B14R0.145 C=CCCCCCC(=O)NCCCOC 527a_100150723488_100011934241 [0,2,0,0,0,0|1,1,0]=4 6386 B14R0.145 C=CCCCCCC(=O)NCCCSC 11a_100000749238_100011934241 [0,2,0,0,0,0|1,0,0]=3 6387 B14R0.145 C=CCCCCCC(=O)NCCCSC 1626a_100000749238_100011934241 [0,2,0,0,0,0|1,0,0]=3 6388 B14R0.145 C=CCCCCCC(=O)NCCCSC 240690a_100000749238_100011934241 [0,2,0,0,0,0|1,0,0]=3 6389 B14R0.145 C=CCCCCCC(=O)NCCCSC 527a_100000749238_100011934241 [0,2,0,0,0,0|1,0,0]=3 6390 B14R0.145 C=CCCCCNC(=O)NCCCSC 2708a_100000703577_100000749238 [0,2,0,0,0,0|1,0,1]=4 6391 B14R0.145 C=CCCCCNC(=O)NCCCSC 2708a_100000749238_100000703577 [0,2,0,0,0,0|1,0,1]=4 6392 B14R0.145 C=CCCCCNC(=O)NCCCSC 273464a_100000703577_100000749238 [0,2,0,0,0,0|1,0,1]=4 6393 B14R0.145 C=CCCCCNC(=O)NCCCSC 273464a_100000749238_100000703577 [0,2,0,0,0,0|1,0,1]=4 6394 B14R0.145 C=CCCCCNC(=O)NCCCSC 512a_100000703577_100000749238 [0,2,0,0,0,0|1,0,1]=4 6395 B14R0.145 C=CCCCCNC(=O)NCCCSC 512a_100000749238_100000703577 [0,2,0,0,0,0|1,0,1]=4 6396 B14R0.145 C=CCCCOCC(=O)NCCCCC 34a_100000758997_100000230301 [0,2,0,0,0,0|1,0,1]=4 6397 B14R0.145 C=CCCCOCC(=O)NCCCCC 7a_100000758997_100000230301 [0,2,0,0,0,0|1,0,1]=4 6398 B14R0.145 CC#CCCOCC(=O)NCCCCC 34a_100000750427_100000230301 [0,2,0,0,0,0|1,0,1]=4 6399 B14R0.145 CCCC/C=C/CC(=O)CCCCCC 1458a_200016282684_100000210757 [0,2,0,0,0,0|2,0,0]=4 6400 B14R0.145 CCCC/C=C/CC(=O)CCCCOC 1458a_200016282684_100000755781 [0,2,0,0,0,0|1,1,0]=4 6401 B14R0.145 CCCC/C=C/CC(=O)NCCCCC 11a_100000209983_200016282684 [0,2,0,0,0,0|2,0,0]=4 6402 B14R0.145 CCCC/C=C/CC(=O)NCCCCC 1626a_100000209983_200016282684 [0,2,0,0,0,0|2,0,0]=4 6403 B14R0.145 CCCC/C=C/CC(=O)NCCCCC 240690a_100000209983_200016282684 [0,2,0,0,0,0|2,0,0]=4 6404 B14R0.145 CCCC/C=C/CC(=O)NCCCCC 527a_100000209983_200016282684 [0,2,0,0,0,0|2,0,0]=4 6405 B14R0.145 CCCC/C=C/CC(=O)NCCCOC 1626a_100150723488_200016282684 [0,2,0,0,0,0|1,1,0]=4 6406 B14R0.145 CCCC/C=C/CC(=O)NCCCOC 240690a_100150723488_200016282684 [0,2,0,0,0,0|1,1,0]=4 6407 B14R0.145 CCCC/C=C/CC(=O)NCCCOC 527a_100150723488_200016282684 [0,2,0,0,0,0|1,1,0]=4 6408 B14R0.145 CCCC/C=C/CC(=O)NCCCSC 11a_100000749238_200016282684 [0,2,0,0,0,0|1,0,0]=3 6409 B14R0.145 CCCC/C=C/CC(=O)NCCCSC 1626a_100000749238_200016282684 [0,2,0,0,0,0|1,0,0]=3 6410 B14R0.145 CCCC/C=C/CC(=O)NCCCSC 240690a_100000749238_200016282684 [0,2,0,0,0,0|1,0,0]=3 6411 B14R0.145 CCCC/C=C/CC(=O)NCCCSC 527a_100000749238_200016282684 [0,2,0,0,0,0|1,0,0]=3 6412 B14R0.145 CCCCCC#CC(=O)CCCCCC 1458a_100011215388_100000210757 [0,2,0,0,0,0|2,0,0]=4 6413 B14R0.145 CCCCCC#CC(=O)CCCCCF 1458a_100011215388_100000729378 [0,2,0,0,0,0|2,0,0]=4 6414 B14R0.145 CCCCCC#CC(=O)CCCCCO 1458a_100011215388_100000746330 [0,2,0,0,0,0|2,0,0]=4 6415 B14R0.145 CCCCCC#CC(=O)CCCCOC 1458a_100011215388_100000755781 [0,2,0,0,0,0|1,1,0]=4 6416 B14R0.145 CCCCCC#CC(=O)CCCOCC 1458a_100011215388_100012232248 [0,2,0,0,0,0|2,0,0]=4 6417 B14R0.145 CCCCCC#CC(=O)CCOCCC 1458a_100011215388_100011215938 [0,2,0,0,0,0|2,0,0]=4 6418 B14R0.145 CCCCCC#CC(=O)COCCCC 1458a_100011215388_100011995733 [0,2,0,0,0,0|2,0,0]=4 6419 B14R0.145 CCCCCC#CC(=O)NCCCCC 240690a_100000209983_100011215388 [0,2,0,0,0,0|2,0,0]=4 6420 B14R0.145 CCCCCC#CC(=O)NCCCOC 240690a_100150723488_100011215388 [0,2,0,0,0,0|1,1,0]=4 6421 B14R0.145 CCCCCC#CC(=O)NCCCSC 240690a_100000749238_100011215388 [0,2,0,0,0,0|1,0,0]=3 6422 B14R0.145 CCCCCC=CC(=O)CCCCCC 1458a_100016263427_100000210757 [0,2,0,0,0,0|2,0,0]=4 6423 B14R0.145 CCCCCC=CC(=O)CCCCCF 1458a_100016263427_100000729378 [0,2,0,0,0,0|2,0,0]=4 6424 B14R0.145 CCCCCC=CC(=O)CCCCCO 1458a_100016263427_100000746330 [0,2,0,0,0,0|2,0,0]=4 6425 B14R0.145 CCCCCC=CC(=O)CCCCOC 1458a_100016263427_100000755781 [0,2,0,0,0,0|1,1,0]=4 6426 B14R0.145 CCCCCC=CC(=O)CCCOCC 1458a_100016263427_100012232248 [0,2,0,0,0,0|2,0,0]=4 6427 B14R0.145 CCCCCC=CC(=O)CCOCCC 1458a_100016263427_100011215938 [0,2,0,0,0,0|2,0,0]=4 6428 B14R0.145 CCCCCC=CC(=O)COCCCC 1458a_100016263427_100011995733 [0,2,0,0,0,0|2,0,0]=4 6429 B14R0.145 CCCCCC=CC(=O)NCCCCC 11a_100000209983_100016263427 [0,2,0,0,0,0|2,0,0]=4 6430 B14R0.145 CCCCCC=CC(=O)NCCCCC 1626a_100000209983_100016263427 [0,2,0,0,0,0|2,0,0]=4 6431 B14R0.145 CCCCCC=CC(=O)NCCCCC 240690a_100000209983_100016263427 [0,2,0,0,0,0|2,0,0]=4 6432 B14R0.145 CCCCCC=CC(=O)NCCCOC 1626a_100150723488_100016263427 [0,2,0,0,0,0|1,1,0]=4 6433 B14R0.145 CCCCCC=CC(=O)NCCCOC 240690a_100150723488_100016263427 [0,2,0,0,0,0|1,1,0]=4 6434 B14R0.145 CCCCCC=CC(=O)NCCCSC 11a_100000749238_100016263427 [0,2,0,0,0,0|1,0,0]=3 6435 B14R0.145 CCCCCC=CC(=O)NCCCSC 1626a_100000749238_100016263427 [0,2,0,0,0,0|1,0,0]=3 6436 B14R0.145 CCCCCC=CC(=O)NCCCSC 240690a_100000749238_100016263427 [0,2,0,0,0,0|1,0,0]=3 6437 B14R0.145 CCCCCCC(=O)CCCCCC#N 1458a_100102632555_100009813376 [0,2,0,0,0,0|2,0,0]=4 6438 B14R0.145 CCCCCCC(=O)CCCCCCF 1458a_100102632555_100015922095 [0,2,0,0,0,0|2,0,0]=4 6439 B14R0.145 CCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210757 [0,2,0,0,0,0|2,0,0]=4 6440 B14R0.145 CCCCCCC(=O)CCCCCCO 1458a_100102632555_100000766143 [0,2,0,0,0,0|2,0,0]=4 6441 B14R0.145 CCCCCCC(=O)CCCCCOC 1458a_100011935119_100000210757 [0,2,0,0,0,0|1,1,0]=4 6442 B14R0.145 CCCCCCC(=O)CCOCCCC 1458a_100102632555_100000743108 [0,2,0,0,0,0|2,0,0]=4 6443 B14R0.145 CCCCCCC(=O)CCOCCOC 1458a_100000745395_100000210757 [0,2,0,0,0,0|1,1,0]=4 6444 B14R0.145 CCCCCCC(=O)CCOCCOC 1458a_100102632555_100000695917 [0,2,0,0,0,0|1,1,0]=4 6445 B14R0.145 CCCCCCC(=O)NCCCCCO 240690a_100000762737_100102632555 [0,2,0,0,0,0|2,0,0]=4 6446 B14R0.145 CCCCCCC(=O)NCCCOCC 11a_100000210961_100102632555 [0,2,0,0,0,0|1,1,0]=4 6447 B14R0.145 CCCCCCC(=O)NCCCOCC 1626a_100000210961_100102632555 [0,2,0,0,0,0|1,1,0]=4 6448 B14R0.145 CCCCCCC(=O)NCCCOCC 240690a_100000210961_100102632555 [0,2,0,0,0,0|1,1,0]=4 6449 B14R0.145 CCCCCCC(=O)NCCCOCC 527a_100000210961_100102632555 [0,2,0,0,0,0|1,1,0]=4 6450 B14R0.145 CCCCCCC(=O)NCCOCCC 1626a_100161115042_100102632555 [0,2,0,0,0,0|2,0,0]=4 6451 B14R0.145 CCCCCCC(=O)NCCOCCC 240690a_100161115042_100102632555 [0,2,0,0,0,0|2,0,0]=4 6452 B14R0.145 CCCCCCC(=O)NCCOCCC 527a_100161115042_100102632555 [0,2,0,0,0,0|2,0,0]=4 6453 B14R0.145 CCCCCCC(=O)NCCSCCC 11a_100020603323_100102632555 [0,2,0,0,0,0|2,0,0]=4 6454 B14R0.145 CCCCCCC(=O)NCCSCCC 240690a_100020603323_100102632555 [0,2,0,0,0,0|2,0,0]=4 6455 B14R0.145 CCCCCCC(=O)NCCSCCC 527a_100020603323_100102632555 [0,2,0,0,0,0|2,0,0]=4 6456 B14R0.145 CCCCCCC(=O)NN=CCCSC 4a_100011221127_100000210997 [0,2,0,0,0,0|1,0,1]=4 6457 B14R0.145 CCCCCCC(=O)NNCCCCC 22a_100000694160_100102632555 [0,2,0,0,0,0|2,0,0]=4 6458 B14R0.145 CCCCCCC(=O)NNCCCOC 22a_100025702787_100102632555 [0,2,0,0,0,0|1,1,0]=4 6459 B14R0.145 CCCCCCC(C)OCCCCSC 34a_100011217163_100011215978 [0,2,0,0,0,0|1,0,1]=4 6460 B14R0.145 CCCCCCC(C)OCCCCSC 7a_100011217163_100011215978 [0,2,0,0,0,0|1,0,1]=4 6461 B14R0.145 CCCCCCC(C)OCCCSCC 34a_100011216438_100011215978 [0,2,0,0,0,0|1,0,1]=4 6462 B14R0.145 CCCCCCC(C)OCCCSCC 7a_100011216438_100011215978 [0,2,0,0,0,0|1,0,1]=4 6463 B14R0.145 CCCCCCCC(=O)CCCCCC 1458a_100000211969_100000210757 [0,2,0,0,0,0|2,0,0]=4 6464 B14R0.145 CCCCCCCC(=O)CCCCCC 1458a_100102632555_100000210614 [0,2,0,0,0,0|2,0,0]=4 6465 B14R0.145 CCCCCCCC(=O)CCCCCF 1458a_100000211969_100000729378 [0,2,0,0,0,0|2,0,0]=4 6466 B14R0.145 CCCCCCCC(=O)CCCCCO 1458a_100000211969_100000746330 [0,2,0,0,0,0|2,0,0]=4 6467 B14R0.145 CCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210614 [0,2,0,0,0,0|2,0,0]=4 6468 B14R0.145 CCCCCCCC(=O)CCCCOC 1458a_100000211969_100000755781 [0,2,0,0,0,0|1,1,0]=4 6469 B14R0.145 CCCCCCCC(=O)CCCOCC 1458a_100000211969_100012232248 [0,2,0,0,0,0|2,0,0]=4 6470 B14R0.145 CCCCCCCC(=O)CCOCCC 1458a_100000211969_100011215938 [0,2,0,0,0,0|2,0,0]=4 6471 B14R0.145 CCCCCCCC(=O)COCCCC 1458a_100000211969_100011995733 [0,2,0,0,0,0|2,0,0]=4 6472 B14R0.145 CCCCCCCC(=O)COCCCC 1458a_100000757543_100000210614 [0,2,0,0,0,0|2,0,0]=4 6473 B14R0.145 CCCCCCCC(=O)CSCCCC 1458a_100000191162_100000210614 [0,2,0,0,0,0|2,0,0]=4 6474 B14R0.145 CCCCCCCC(=O)NCCCCC 11a_100000209983_100000211969 [0,2,0,0,0,0|2,0,0]=4 6475 B14R0.145 CCCCCCCC(=O)NCCCCC 1626a_100000209983_100000211969 [0,2,0,0,0,0|2,0,0]=4 6476 B14R0.145 CCCCCCCC(=O)NCCCCC 240690a_100000209983_100000211969 [0,2,0,0,0,0|2,0,0]=4 6477 B14R0.145 CCCCCCCC(=O)NCCCCC 527a_100000209983_100000211969 [0,2,0,0,0,0|2,0,0]=4 6478 B14R0.145 CCCCCCCC(=O)NCCCOC 1626a_100150723488_100000211969 [0,2,0,0,0,0|1,1,0]=4 6479 B14R0.145 CCCCCCCC(=O)NCCCOC 240690a_100150723488_100000211969 [0,2,0,0,0,0|1,1,0]=4 6480 B14R0.145 CCCCCCCC(=O)NCCCOC 527a_100150723488_100000211969 [0,2,0,0,0,0|1,1,0]=4 6481 B14R0.145 CCCCCCCC(=O)NCCCSC 11a_100000749238_100000211969 [0,2,0,0,0,0|1,0,0]=3 6482 B14R0.145 CCCCCCCC(=O)NCCCSC 1626a_100000749238_100000211969 [0,2,0,0,0,0|1,0,0]=3 6483 B14R0.145 CCCCCCCC(=O)NCCCSC 240690a_100000749238_100000211969 [0,2,0,0,0,0|1,0,0]=3 6484 B14R0.145 CCCCCCCC(=O)NCCCSC 527a_100000749238_100000211969 [0,2,0,0,0,0|1,0,0]=3 6485 B14R0.145 CCCCCCCC(=O)OCOCCC 34a_100000210258_100009852258 [0,2,0,0,0,0|2,0,0]=4 6486 B14R0.145 CCCCCCCC(=O)OCSCCC 62a_100000210303_100009852258 [0,2,0,0,0,0|2,0,0]=4 6487 B14R0.145 CCCCCCCC(=O)OCSCOC 62a_100000766300_100009852258 [0,2,0,0,0,0|1,1,0]=4 6488 B14R0.145 CCCCCCCC(=O)OCSCSC 62a_100011218213_100009852258 [0,2,0,0,0,0|1,0,0]=3 6489 B14R0.145 CCCCCCCC(C)OCCCSC 34a_100000690336_200011218727 [0,2,0,0,0,0|1,0,1]=4 6490 B14R0.145 CCCCCCCC(C)OCCCSC 7a_100000690336_200011218727 [0,2,0,0,0,0|1,0,1]=4 6491 B14R0.145 CCCCCCNC(=O)CCCCCC 11a_100000210581_100102632555 [0,2,0,0,0,0|2,0,0]=4 6492 B14R0.145 CCCCCCNC(=O)CCCCCC 1626a_100000210581_100102632555 [0,2,0,0,0,0|2,0,0]=4 6493 B14R0.145 CCCCCCNC(=O)CCCCCC 240690a_100000210581_100102632555 [0,2,0,0,0,0|2,0,0]=4 6494 B14R0.145 CCCCCCNC(=O)CCCCCC 527a_100000210581_100102632555 [0,2,0,0,0,0|2,0,0]=4 6495 B14R0.145 CCCCCCNC(=O)CCCCCO 240690a_100000210581_100102619762 [0,2,0,0,0,0|2,0,0]=4 6496 B14R0.145 CCCCCCNC(=O)CNCCCC 2230a_100000102301_100000230325 [0,2,0,0,0,0|2,0,0]=4 6497 B14R0.145 CCCCCCNC(=O)CNCCCC 7a_106832991798_100000230325 [0,2,0,0,0,0|2,0,0]=4 6498 B14R0.145 CCCCCCNC(=O)CNCCSC 2230a_100020590264_100000230325 [0,2,0,0,0,0|2,0,0]=4 6499 B14R0.145 CCCCCCNC(=O)COCCCC 11a_100000210581_100000757543 [0,2,0,0,0,0|2,0,0]=4 6500 B14R0.145 CCCCCCNC(=O)COCCCC 1626a_100000210581_100000757543 [0,2,0,0,0,0|2,0,0]=4 6501 B14R0.145 CCCCCCNC(=O)COCCCC 240690a_100000210581_100000757543 [0,2,0,0,0,0|2,0,0]=4 6502 B14R0.145 CCCCCCNC(=O)COCCCC 34a_100000210227_100000230325 [0,2,0,0,0,0|2,0,0]=4 6503 B14R0.145 CCCCCCNC(=O)COCCCC 527a_100000210581_100000757543 [0,2,0,0,0,0|2,0,0]=4 6504 B14R0.145 CCCCCCNC(=O)COCCCC 7a_100000210227_100000230325 [0,2,0,0,0,0|2,0,0]=4 6505 B14R0.145 CCCCCCNC(=O)COCCSC 34a_100000230434_100000230325 [0,2,0,0,0,0|2,0,0]=4 6506 B14R0.145 CCCCCCNC(=O)COCCSC 7a_100000230434_100000230325 [0,2,0,0,0,0|2,0,0]=4 6507 B14R0.145 CCCCCCNC(=O)CSCCCC 11a_100000210581_100000191162 [0,2,0,0,0,0|2,0,0]=4 6508 B14R0.145 CCCCCCNC(=O)CSCCCC 1626a_100000210581_100000191162 [0,2,0,0,0,0|2,0,0]=4 6509 B14R0.145 CCCCCCNC(=O)CSCCCC 240690a_100000210581_100000191162 [0,2,0,0,0,0|2,0,0]=4 6510 B14R0.145 CCCCCCNC(=O)CSCCCC 527a_100000210581_100000191162 [0,2,0,0,0,0|2,0,0]=4 6511 B14R0.145 CCCCCCNC(=O)CSCCCC 62a_100000230325_100000210210 [0,2,0,0,0,0|2,0,0]=4 6512 B14R0.145 CCCCCCNC(=O)CSCCSC 62a_100000230325_100000751147 [0,2,0,0,0,0|2,0,0]=4 6513 B14R0.145 CCCCCCNC(=O)NCCCCC 2708a_100000209983_100000210581 [0,2,0,0,0,0|2,0,0]=4 6514 B14R0.145 CCCCCCNC(=O)NCCCCC 2708a_100000210581_100000209983 [0,2,0,0,0,0|2,0,0]=4 6515 B14R0.145 CCCCCCNC(=O)NCCCCC 273464a_100000209983_100000210581 [0,2,0,0,0,0|2,0,0]=4 6516 B14R0.145 CCCCCCNC(=O)NCCCCC 273464a_100000210581_100000209983 [0,2,0,0,0,0|2,0,0]=4 6517 B14R0.145 CCCCCCNC(=O)NCCCCC 512a_100000209983_100000210581 [0,2,0,0,0,0|2,0,0]=4 6518 B14R0.145 CCCCCCNC(=O)NCCCCC 512a_100000210581_100000209983 [0,2,0,0,0,0|2,0,0]=4 6519 B14R0.145 CCCCCCNC(=O)NCCCOC 2708a_100000210581_100150723488 [0,2,0,0,0,0|1,1,0]=4 6520 B14R0.145 CCCCCCNC(=O)NCCCOC 2708a_100150723488_100000210581 [0,2,0,0,0,0|1,1,0]=4 6521 B14R0.145 CCCCCCNC(=O)NCCCOC 273464a_100000210581_100150723488 [0,2,0,0,0,0|1,1,0]=4 6522 B14R0.145 CCCCCCNC(=O)NCCCOC 273464a_100150723488_100000210581 [0,2,0,0,0,0|1,1,0]=4 6523 B14R0.145 CCCCCCNC(=O)NCCCOC 512a_100000210581_100150723488 [0,2,0,0,0,0|1,1,0]=4 6524 B14R0.145 CCCCCCNC(=O)NCCCSC 2708a_100000210581_100000749238 [0,2,0,0,0,0|1,0,0]=3 6525 B14R0.145 CCCCCCNC(=O)NCCCSC 2708a_100000749238_100000210581 [0,2,0,0,0,0|1,0,0]=3 6526 B14R0.145 CCCCCCNC(=O)NCCCSC 273464a_100000210581_100000749238 [0,2,0,0,0,0|1,0,0]=3 6527 B14R0.145 CCCCCCNC(=O)NCCCSC 273464a_100000749238_100000210581 [0,2,0,0,0,0|1,0,0]=3 6528 B14R0.145 CCCCCCNC(=O)NCCCSC 512a_100000210581_100000749238 [0,2,0,0,0,0|1,0,0]=3 6529 B14R0.145 CCCCCCNC(=O)NCCCSC 512a_100000749238_100000210581 [0,2,0,0,0,0|1,0,0]=3 6530 B14R0.145 CCCCCNC(=O)CCCCCCO 240690a_100000209983_100011996774 [0,2,0,0,0,0|2,0,0]=4 6531 B14R0.145 CCCCCNC(=O)CCCCCOC 11a_100000209983_100011935119 [0,2,0,0,0,0|1,1,0]=4 6532 B14R0.145 CCCCCNC(=O)CCCCCOC 1626a_100000209983_100011935119 [0,2,0,0,0,0|1,1,0]=4 6533 B14R0.145 CCCCCNC(=O)CCCCCOC 240690a_100000209983_100011935119 [0,2,0,0,0,0|1,1,0]=4 6534 B14R0.145 CCCCCNC(=O)CCCCCOC 527a_100000209983_100011935119 [0,2,0,0,0,0|1,1,0]=4 6535 B14R0.145 CCCCCNC(=O)CCOCCOC 11a_100000209983_100000745395 [0,2,0,0,0,0|1,1,0]=4 6536 B14R0.145 CCCCCNC(=O)CCOCCOC 1626a_100000209983_100000745395 [0,2,0,0,0,0|1,1,0]=4 6537 B14R0.145 CCCCCNC(=O)CCOCCOC 240690a_100000209983_100000745395 [0,2,0,0,0,0|1,1,0]=4 6538 B14R0.145 CCCCCNC(=O)CCOCCOC 527a_100000209983_100000745395 [0,2,0,0,0,0|1,1,0]=4 6539 B14R0.145 CCCCCNC(=O)CNCCCCO 2230a_100000750430_100000230301 [0,2,0,0,0,0|2,0,0]=4 6540 B14R0.145 CCCCCNC(=O)CNCCCCO 34a_100000750430_100000230301 [0,2,0,0,0,0|2,0,0]=4 6541 B14R0.145 CCCCCNC(=O)CNCCCOC 34a_100150723488_100000230301 [0,2,0,0,0,0|1,1,0]=4 6542 B14R0.145 CCCCCNC(=O)CNCCCSC 2230a_100000749238_100000230301 [0,2,0,0,0,0|1,0,0]=3 6543 B14R0.145 CCCCCNC(=O)CNCCOCC 2230a_102516460346_100000230301 [0,2,0,0,0,0|2,0,0]=4 6544 B14R0.145 CCCCCNC(=O)CNCCOCC 34a_102516460346_100000230301 [0,2,0,0,0,0|2,0,0]=4 6545 B14R0.145 CCCCCNC(=O)CNCCSCC 2230a_100000106463_100000230301 [0,2,0,0,0,0|2,0,0]=4 6546 B14R0.145 CCCCCNC(=O)COCCCCBr 34a_100011216708_100000230301 [0,2,0,0,0,0|2,0,0]=4 6547 B14R0.145 CCCCCNC(=O)COCCCCC 34a_100000210253_100000230301 [0,2,0,0,0,0|1,0,0]=3 6548 B14R0.145 CCCCCNC(=O)COCCCCC 7a_100000210253_100000230301 [0,2,0,0,0,0|1,0,0]=3 6549 B14R0.145 CCCCCNC(=O)COCCCCCl 34a_100000210776_100000230301 [0,2,0,0,0,0|2,0,0]=4 6550 B14R0.145 CCCCCNC(=O)COCCCCCl 7a_100000210776_100000230301 [0,2,0,0,0,0|2,0,0]=4 6551 B14R0.145 CCCCCNC(=O)COCCCCF 34a_100011995726_100000230301 [0,2,0,0,0,0|2,0,0]=4 6552 B14R0.145 CCCCCNC(=O)COCCCCF 7a_100011995726_100000230301 [0,2,0,0,0,0|2,0,0]=4 6553 B14R0.145 CCCCCNC(=O)COCCCCI 34a_200012148704_100000230301 [0,2,0,0,0,0|2,0,0]=4 6554 B14R0.145 CCCCCNC(=O)COCCCCN 34a_100000750430_100000230301 [0,2,0,0,0,0|2,0,0]=4 6555 B14R0.145 CCCCCNC(=O)COCCCNC 34a_100000213112_100000230301 [0,2,0,0,0,0|1,0,0]=3 6556 B14R0.145 CCCCCNC(=O)COCCCOC 34a_100000740835_100000230301 [0,2,0,0,0,0|0,1,0]=3 6557 B14R0.145 CCCCCNC(=O)COCCCSC 34a_100000690336_100000230301 [0,2,0,0,0,0|0,0,0]=2 6558 B14R0.145 CCCCCNC(=O)COCCCSC 7a_100000690336_100000230301 [0,2,0,0,0,0|0,0,0]=2 6559 B14R0.145 CCCCCNC(=O)COCCOCC 34a_100000210136_100000230301 [0,2,0,0,0,0|2,0,0]=4 6560 B14R0.145 CCCCCNC(=O)COCCOCC 7a_100000210136_100000230301 [0,2,0,0,0,0|2,0,0]=4 6561 B14R0.145 CCCCCNC(=O)COCCSCC 34a_100000212035_100000230301 [0,2,0,0,0,0|2,0,0]=4 6562 B14R0.145 CCCCCNC(=O)COCCSCC 7a_100000212035_100000230301 [0,2,0,0,0,0|2,0,0]=4 6563 B14R0.145 CCCCCNC(=O)CSCCCCC 62a_100000210326_100000230301 [0,2,0,0,0,0|1,1,0]=4 6564 B14R0.145 CCCCCNC(=O)CSCCCCC 62a_100000230301_100000210326 [0,2,0,0,0,0|1,1,0]=4 6565 B14R0.145 CCCCCNC(=O)CSCCCCF 62a_100000230301_100000729493 [0,2,0,0,0,0|2,0,0]=4 6566 B14R0.145 CCCCCNC(=O)CSCCCCF 62a_100000729493_100000230301 [0,2,0,0,0,0|2,0,0]=4 6567 B14R0.145 CCCCCNC(=O)CSCCCCO 62a_100000210776_100000230301 [0,2,0,0,0,0|2,0,0]=4 6568 B14R0.145 CCCCCNC(=O)CSCCCCO 62a_100000230301_100000210776 [0,2,0,0,0,0|2,0,0]=4 6569 B14R0.145 CCCCCNC(=O)CSCCCOC 62a_100000230301_100000709357 [0,2,0,0,0,0|0,2,0]=4 6570 B14R0.145 CCCCCNC(=O)CSCCCOC 62a_100000709357_100000230301 [0,2,0,0,0,0|0,2,0]=4 6571 B14R0.145 CCCCCNC(=O)CSCCOCC 62a_100000210147_100000230301 [0,2,0,0,0,0|2,0,0]=4 6572 B14R0.145 CCCCCNC(=O)CSCCOCC 62a_100000230301_100011215890 [0,2,0,0,0,0|2,0,0]=4 6573 B14R0.145 CCCCCNC(=O)CSCCSCC 62a_100000230301_100000757381 [0,2,0,0,0,0|2,0,0]=4 6574 B14R0.145 CCCCCNC(=O)CSCCSCC 62a_100000757381_100000230301 [0,2,0,0,0,0|2,0,0]=4 6575 B14R0.145 CCCCCNC(=O)NCCCCCO 2708a_100000209983_100000762737 [0,2,0,0,0,0|2,0,0]=4 6576 B14R0.145 CCCCCNC(=O)NCCCCCO 273464a_100000209983_100000762737 [0,2,0,0,0,0|2,0,0]=4 6577 B14R0.145 CCCCCNC(=O)NCCCCCO 273464a_100000762737_100000209983 [0,2,0,0,0,0|2,0,0]=4 6578 B14R0.145 CCCCCNC(=O)NCCCCCO 512a_100000209983_100000762737 [0,2,0,0,0,0|2,0,0]=4 6579 B14R0.145 CCCCCNC(=O)NCCCCCO 512a_100000762737_100000209983 [0,2,0,0,0,0|2,0,0]=4 6580 B14R0.145 CCCCCNC(=O)NCCCOCC 2708a_100000209983_100000210961 [0,2,0,0,0,0|1,1,0]=4 6581 B14R0.145 CCCCCNC(=O)NCCCOCC 2708a_100000210961_100000209983 [0,2,0,0,0,0|1,1,0]=4 6582 B14R0.145 CCCCCNC(=O)NCCCOCC 273464a_100000209983_100000210961 [0,2,0,0,0,0|1,1,0]=4 6583 B14R0.145 CCCCCNC(=O)NCCCOCC 273464a_100000210961_100000209983 [0,2,0,0,0,0|1,1,0]=4 6584 B14R0.145 CCCCCNC(=O)NCCCOCC 512a_100000209983_100000210961 [0,2,0,0,0,0|1,1,0]=4 6585 B14R0.145 CCCCCNC(=O)NCCCOCC 512a_100000210961_100000209983 [0,2,0,0,0,0|1,1,0]=4 6586 B14R0.145 CCCCCNC(=O)NCCOCCC 2708a_100000209983_100161115042 [0,2,0,0,0,0|2,0,0]=4 6587 B14R0.145 CCCCCNC(=O)NCCOCCC 2708a_100161115042_100000209983 [0,2,0,0,0,0|2,0,0]=4 6588 B14R0.145 CCCCCNC(=O)NCCOCCC 273464a_100000209983_100161115042 [0,2,0,0,0,0|2,0,0]=4 6589 B14R0.145 CCCCCNC(=O)NCCOCCC 273464a_100161115042_100000209983 [0,2,0,0,0,0|2,0,0]=4 6590 B14R0.145 CCCCCNC(=O)NCCOCCC 512a_100000209983_100161115042 [0,2,0,0,0,0|2,0,0]=4 6591 B14R0.145 CCCCCNC(=O)NCCOCCC 512a_100161115042_100000209983 [0,2,0,0,0,0|2,0,0]=4 6592 B14R0.145 CCCCCNC(=O)NCCSCCC 2708a_100000209983_100020603323 [0,2,0,0,0,0|2,0,0]=4 6593 B14R0.145 CCCCCNC(=O)NCCSCCC 2708a_100020603323_100000209983 [0,2,0,0,0,0|2,0,0]=4 6594 B14R0.145 CCCCCNC(=O)NCCSCCC 273464a_100000209983_100020603323 [0,2,0,0,0,0|2,0,0]=4 6595 B14R0.145 CCCCCNC(=O)NCCSCCC 273464a_100020603323_100000209983 [0,2,0,0,0,0|2,0,0]=4 6596 B14R0.145 CCCCCNC(=O)NCCSCCC 512a_100000209983_100020603323 [0,2,0,0,0,0|2,0,0]=4 6597 B14R0.145 CCCCCNC(=O)NCCSCCC 512a_100020603323_100000209983 [0,2,0,0,0,0|2,0,0]=4 6598 B14R0.145 CCCCCNC(=O)NNCCCOC 273464a_100000209983_100025702787 [0,2,0,0,0,0|1,1,0]=4 6599 B14R0.145 CCCCCNC(=O)NNCCCOC 512a_100000209983_100025702787 [0,2,0,0,0,0|1,1,0]=4 6600 B14R0.145 CCCCCNCC(=O)NCCCCC 2230a_100000209983_100000230301 [0,2,0,0,0,0|2,0,0]=4 6601 B14R0.145 CCCCCNCC(=O)NCCCOC 2230a_100000209983_100000183178 [0,2,0,0,0,0|1,1,0]=4 6602 B14R0.145 CCCCCNCC(=O)OCCOCC 2230a_100000209983_200000101388 [0,2,0,0,0,0|2,0,0]=4 6603 B14R0.145 CCCCCNNC(=O)CCCCCO 22a_100000694160_100102619762 [0,2,0,0,0,0|2,0,0]=4 6604 B14R0.145 CCCCCNNC(=O)COCCCC 22a_100000694160_100000757543 [0,2,0,0,0,0|2,0,0]=4 6605 B14R0.145 CCCCCNNC(=O)CSCCCC 22a_100000694160_100000191162 [0,2,0,0,0,0|2,0,0]=4 6606 B14R0.145 CCCCCNNC(=O)NCCCCC 273464a_100000209983_100000694160 [0,2,0,0,0,0|2,0,0]=4 6607 B14R0.145 CCCCCNNC(=O)NCCCCC 512a_100000209983_100000694160 [0,2,0,0,0,0|2,0,0]=4 6608 B14R0.145 CCCCCNNC(=O)NCCCCC 512a_100000694160_100000209983 [0,2,0,0,0,0|2,0,0]=4 6609 B14R0.145 CCCCCNNC(=O)NCCCOC 273464a_100150723488_100000694160 [0,2,0,0,0,0|1,1,0]=4 6610 B14R0.145 CCCCCNNC(=O)NCCCOC 512a_100000694160_100150723488 [0,2,0,0,0,0|1,1,0]=4 6611 B14R0.145 CCCCCNNC(=O)NCCCSC 273464a_100000749238_100000694160 [0,2,0,0,0,0|1,0,0]=3 6612 B14R0.145 CCCCCNNC(=O)NCCCSC 512a_100000694160_100000749238 [0,2,0,0,0,0|1,0,0]=3 6613 B14R0.145 CCCCCNNC(=O)NCCCSC 512a_100000749238_100000694160 [0,2,0,0,0,0|1,0,0]=3 6614 B14R0.145 CCCCCOCC(=O)NCCCOC 34a_100000210253_100000183178 [0,2,0,0,0,0|1,1,0]=4 6615 B14R0.145 CCCCCOCC(=O)NCCCOC 7a_100000210253_100000183178 [0,2,0,0,0,0|1,1,0]=4 6616 B14R0.145 CCCCCOCC(=O)OCCOCC 34a_100000210253_200000101388 [0,2,0,0,0,0|2,0,0]=4 6617 B14R0.145 CCCCCOCC(=O)OCCOCC 7a_100000210253_200000101388 [0,2,0,0,0,0|2,0,0]=4 6618 B14R0.145 CCCCCSCC(=O)NCCCOC 62a_100000183178_100000210326 [0,2,0,0,0,0|1,1,0]=4 6619 B14R0.145 CCCCCSCC(=O)OCCOCC 62a_100000210326_200000101388 [0,2,0,0,0,0|2,0,0]=4 6620 B14R0.145 CCCCCSCC(=O)OCCOCC 62a_200000101388_100000210326 [0,2,0,0,0,0|2,0,0]=4 6621 B14R0.145 CCCCOCC(=O)CCCCCCF 1458a_100000757543_100015922095 [0,2,0,0,0,0|2,0,0]=4 6622 B14R0.145 CCCCOCC(=O)CCCCCCO 1458a_100000757543_100000766143 [0,2,0,0,0,0|2,0,0]=4 6623 B14R0.145 CCCCOCC(=O)CCCCCCO 1458a_100011996774_100011995733 [0,2,0,0,0,0|2,0,0]=4 6624 B14R0.145 CCCCOCC(=O)CCCCCOC 1458a_100011935119_100011995733 [0,2,0,0,0,0|1,1,0]=4 6625 B14R0.145 CCCCOCC(=O)CCOCCOC 1458a_100000745395_100011995733 [0,2,0,0,0,0|1,1,0]=4 6626 B14R0.145 CCCCOCC(=O)CCOCCOC 1458a_100000757543_100000695917 [0,2,0,0,0,0|1,1,0]=4 6627 B14R0.145 CCCCOCC(=O)NCCCCCO 240690a_100000762737_100000757543 [0,2,0,0,0,0|2,0,0]=4 6628 B14R0.145 CCCCOCC(=O)NCCCOCC 11a_100000210961_100000757543 [0,2,0,0,0,0|1,1,0]=4 6629 B14R0.145 CCCCOCC(=O)NCCCOCC 1626a_100000210961_100000757543 [0,2,0,0,0,0|1,1,0]=4 6630 B14R0.145 CCCCOCC(=O)NCCCOCC 240690a_100000210961_100000757543 [0,2,0,0,0,0|1,1,0]=4 6631 B14R0.145 CCCCOCC(=O)NCCCOCC 527a_100000210961_100000757543 [0,2,0,0,0,0|1,1,0]=4 6632 B14R0.145 CCCCOCC(=O)NCCOCCC 1626a_100161115042_100000757543 [0,2,0,0,0,0|2,0,0]=4 6633 B14R0.145 CCCCOCC(=O)NCCOCCC 240690a_100161115042_100000757543 [0,2,0,0,0,0|2,0,0]=4 6634 B14R0.145 CCCCOCC(=O)NCCOCCC 527a_100161115042_100000757543 [0,2,0,0,0,0|2,0,0]=4 6635 B14R0.145 CCCCOCC(=O)NCCSCCC 11a_100020603323_100000757543 [0,2,0,0,0,0|2,0,0]=4 6636 B14R0.145 CCCCOCC(=O)NCCSCCC 240690a_100020603323_100000757543 [0,2,0,0,0,0|2,0,0]=4 6637 B14R0.145 CCCCOCC(=O)NCCSCCC 527a_100020603323_100000757543 [0,2,0,0,0,0|2,0,0]=4 6638 B14R0.145 CCCCOCC(=O)NNCCCOC 22a_100025702787_100000757543 [0,2,0,0,0,0|1,1,0]=4 6639 B14R0.145 CCCCOCCC(=O)CCCCCO 1458a_100102619762_100000743108 [0,2,0,0,0,0|2,0,0]=4 6640 B14R0.145 CCCCOCCC(=O)COCCCC 1458a_100000757543_100000743108 [0,2,0,0,0,0|2,0,0]=4 6641 B14R0.145 CCCCOCCC(=O)CSCCCC 1458a_100000191162_100000743108 [0,2,0,0,0,0|2,0,0]=4 6642 B14R0.145 CCCCSCC(=O)CCCCCCF 1458a_100000191162_100015922095 [0,2,0,0,0,0|2,0,0]=4 6643 B14R0.145 CCCCSCC(=O)CCCCCCO 1458a_100000191162_100000766143 [0,2,0,0,0,0|2,0,0]=4 6644 B14R0.145 CCCCSCC(=O)CCOCCOC 1458a_100000191162_100000695917 [0,2,0,0,0,0|1,1,0]=4 6645 B14R0.145 CCCCSCC(=O)NCCCCCO 240690a_100000762737_100000191162 [0,2,0,0,0,0|2,0,0]=4 6646 B14R0.145 CCCCSCC(=O)NCCCOCC 11a_100000210961_100000191162 [0,2,0,0,0,0|1,1,0]=4 6647 B14R0.145 CCCCSCC(=O)NCCCOCC 1626a_100000210961_100000191162 [0,2,0,0,0,0|1,1,0]=4 6648 B14R0.145 CCCCSCC(=O)NCCCOCC 240690a_100000210961_100000191162 [0,2,0,0,0,0|1,1,0]=4 6649 B14R0.145 CCCCSCC(=O)NCCCOCC 527a_100000210961_100000191162 [0,2,0,0,0,0|1,1,0]=4 6650 B14R0.145 CCCCSCC(=O)NCCOCCC 1626a_100161115042_100000191162 [0,2,0,0,0,0|2,0,0]=4 6651 B14R0.145 CCCCSCC(=O)NCCOCCC 240690a_100161115042_100000191162 [0,2,0,0,0,0|2,0,0]=4 6652 B14R0.145 CCCCSCC(=O)NCCOCCC 527a_100161115042_100000191162 [0,2,0,0,0,0|2,0,0]=4 6653 B14R0.145 CCCCSCC(=O)NCCSCCC 11a_100020603323_100000191162 [0,2,0,0,0,0|2,0,0]=4 6654 B14R0.145 CCCCSCC(=O)NCCSCCC 240690a_100020603323_100000191162 [0,2,0,0,0,0|2,0,0]=4 6655 B14R0.145 CCCCSCC(=O)NCCSCCC 527a_100020603323_100000191162 [0,2,0,0,0,0|2,0,0]=4 6656 B14R0.145 CCCCSCC(=O)NNCCCOC 22a_100025702787_100000191162 [0,2,0,0,0,0|1,1,0]=4 6657 B14R0.145 CCCOCCC(=O)CCCCCCO 1458a_100011996774_100011215938 [0,2,0,0,0,0|2,0,0]=4 6658 B14R0.145 CCCOCCC(=O)CCCCCOC 1458a_100011935119_100011215938 [0,2,0,0,0,0|1,1,0]=4 6659 B14R0.145 CCCOCCC(=O)CCOCCOC 1458a_100000745395_100011215938 [0,2,0,0,0,0|1,1,0]=4 6660 B14R0.145 CCCOCCNC(=O)CCCCCO 240690a_100161115042_100102619762 [0,2,0,0,0,0|2,0,0]=4 6661 B14R0.145 CCCOCCNC(=O)NCCCOC 2708a_100150723488_100161115042 [0,2,0,0,0,0|1,1,0]=4 6662 B14R0.145 CCCOCCNC(=O)NCCCOC 2708a_100161115042_100150723488 [0,2,0,0,0,0|1,1,0]=4 6663 B14R0.145 CCCOCCNC(=O)NCCCOC 273464a_100150723488_100161115042 [0,2,0,0,0,0|1,1,0]=4 6664 B14R0.145 CCCOCCNC(=O)NCCCOC 273464a_100161115042_100150723488 [0,2,0,0,0,0|1,1,0]=4 6665 B14R0.145 CCCOCCNC(=O)NCCCOC 512a_100161115042_100150723488 [0,2,0,0,0,0|1,1,0]=4 6666 B14R0.145 CCCOCCNC(=O)NCCCSC 2708a_100000749238_100161115042 [0,2,0,0,0,0|1,0,0]=3 6667 B14R0.145 CCCOCCNC(=O)NCCCSC 2708a_100161115042_100000749238 [0,2,0,0,0,0|1,0,0]=3 6668 B14R0.145 CCCOCCNC(=O)NCCCSC 273464a_100000749238_100161115042 [0,2,0,0,0,0|1,0,0]=3 6669 B14R0.145 CCCOCCNC(=O)NCCCSC 273464a_100161115042_100000749238 [0,2,0,0,0,0|1,0,0]=3 6670 B14R0.145 CCCOCCNC(=O)NCCCSC 512a_100000749238_100161115042 [0,2,0,0,0,0|1,0,0]=3 6671 B14R0.145 CCCOCCNC(=O)NCCCSC 512a_100161115042_100000749238 [0,2,0,0,0,0|1,0,0]=3 6672 B14R0.145 CCCSCCNC(=O)CCCCCO 240690a_100020603323_100102619762 [0,2,0,0,0,0|2,0,0]=4 6673 B14R0.145 CCCSCCNC(=O)NCCCOC 2708a_100020603323_100150723488 [0,2,0,0,0,0|1,1,0]=4 6674 B14R0.145 CCCSCCNC(=O)NCCCOC 2708a_100150723488_100020603323 [0,2,0,0,0,0|1,1,0]=4 6675 B14R0.145 CCCSCCNC(=O)NCCCOC 273464a_100020603323_100150723488 [0,2,0,0,0,0|1,1,0]=4 6676 B14R0.145 CCCSCCNC(=O)NCCCOC 273464a_100150723488_100020603323 [0,2,0,0,0,0|1,1,0]=4 6677 B14R0.145 CCCSCCNC(=O)NCCCOC 512a_100020603323_100150723488 [0,2,0,0,0,0|1,1,0]=4 6678 B14R0.145 CCCSCCNC(=O)NCCCSC 2708a_100000749238_100020603323 [0,2,0,0,0,0|1,0,0]=3 6679 B14R0.145 CCCSCCNC(=O)NCCCSC 2708a_100020603323_100000749238 [0,2,0,0,0,0|1,0,0]=3 6680 B14R0.145 CCCSCCNC(=O)NCCCSC 273464a_100000749238_100020603323 [0,2,0,0,0,0|1,0,0]=3 6681 B14R0.145 CCCSCCNC(=O)NCCCSC 273464a_100020603323_100000749238 [0,2,0,0,0,0|1,0,0]=3 6682 B14R0.145 CCCSCCNC(=O)NCCCSC 512a_100000749238_100020603323 [0,2,0,0,0,0|1,0,0]=3 6683 B14R0.145 CCCSCCNC(=O)NCCCSC 512a_100020603323_100000749238 [0,2,0,0,0,0|1,0,0]=3 6684 B14R0.145 CCOCCCC(=O)CCCCCCO 1458a_100011996774_100012232248 [0,2,0,0,0,0|2,0,0]=4 6685 B14R0.145 CCOCCCC(=O)CCCCCOC 1458a_100011935119_100012232248 [0,2,0,0,0,0|1,1,0]=4 6686 B14R0.145 CCOCCCC(=O)CCOCCOC 1458a_100000745395_100012232248 [0,2,0,0,0,0|1,1,0]=4 6687 B14R0.145 CCOCCCNC(=O)CCCCCO 240690a_100000210961_100102619762 [0,2,0,0,0,0|1,1,0]=4 6688 B14R0.145 CCOCCCNC(=O)NCCCOC 2708a_100000210961_100150723488 [0,2,0,0,0,0|1,1,0]=4 6689 B14R0.145 CCOCCCNC(=O)NCCCOC 2708a_100150723488_100000210961 [0,2,0,0,0,0|1,1,0]=4 6690 B14R0.145 CCOCCCNC(=O)NCCCOC 273464a_100000210961_100150723488 [0,2,0,0,0,0|1,1,0]=4 6691 B14R0.145 CCOCCCNC(=O)NCCCOC 273464a_100150723488_100000210961 [0,2,0,0,0,0|1,1,0]=4 6692 B14R0.145 CCOCCCNC(=O)NCCCOC 512a_100000210961_100150723488 [0,2,0,0,0,0|1,1,0]=4 6693 B14R0.145 CCOCCCNC(=O)NCCCSC 2708a_100000210961_100000749238 [0,2,0,0,0,0|1,0,0]=3 6694 B14R0.145 CCOCCCNC(=O)NCCCSC 2708a_100000749238_100000210961 [0,2,0,0,0,0|1,0,0]=3 6695 B14R0.145 CCOCCCNC(=O)NCCCSC 273464a_100000210961_100000749238 [0,2,0,0,0,0|1,0,0]=3 6696 B14R0.145 CCOCCCNC(=O)NCCCSC 273464a_100000749238_100000210961 [0,2,0,0,0,0|1,0,0]=3 6697 B14R0.145 CCOCCCNC(=O)NCCCSC 512a_100000210961_100000749238 [0,2,0,0,0,0|1,0,0]=3 6698 B14R0.145 CCOCCCNC(=O)NCCCSC 512a_100000749238_100000210961 [0,2,0,0,0,0|1,0,0]=3 6699 B14R0.145 CCOCCNCC(=O)NCCCOC 2230a_102516460346_100000183178 [0,2,0,0,0,0|1,1,0]=4 6700 B14R0.145 CCOCCNCC(=O)NCCCOC 34a_102516460346_100000183178 [0,2,0,0,0,0|1,1,0]=4 6701 B14R0.145 CCOCCNCC(=O)OCCOCC 2230a_102516460346_200000101388 [0,2,0,0,0,0|2,0,0]=4 6702 B14R0.145 CCOCCNCC(=O)OCCOCC 34a_102516460346_200000101388 [0,2,0,0,0,0|2,0,0]=4 6703 B14R0.145 CCOCCNNC(=O)NCCCSC 273464a_100000749238_100000732670 [0,2,0,0,0,0|2,0,0]=4 6704 B14R0.145 CCOCCNNC(=O)NCCCSC 512a_100000732670_100000749238 [0,2,0,0,0,0|2,0,0]=4 6705 B14R0.145 CCOCCNNC(=O)NCCCSC 512a_100000749238_100000732670 [0,2,0,0,0,0|2,0,0]=4 6706 B14R0.145 CCOCCOC(=O)CNCCCCO 2230a_100000750430_200000101388 [0,2,0,0,0,0|2,0,0]=4 6707 B14R0.145 CCOCCOC(=O)CNCCCCO 34a_100000750430_200000101388 [0,2,0,0,0,0|2,0,0]=4 6708 B14R0.145 CCOCCOC(=O)CNCCCOC 34a_100150723488_200000101388 [0,2,0,0,0,0|2,0,0]=4 6709 B14R0.145 CCOCCOC(=O)CNCCCSC 2230a_100000749238_200000101388 [0,2,0,0,0,0|2,0,0]=4 6710 B14R0.145 CCOCCOC(=O)CNCCSCC 2230a_100000106463_200000101388 [0,2,0,0,0,0|2,0,0]=4 6711 B14R0.145 CCOCCOC(=O)COCCCCBr 34a_100011216708_200000101388 [0,2,0,0,0,0|2,0,0]=4 6712 B14R0.145 CCOCCOC(=O)COCCCCCl 34a_100000210776_200000101388 [0,2,0,0,0,0|2,0,0]=4 6713 B14R0.145 CCOCCOC(=O)COCCCCCl 7a_100000210776_200000101388 [0,2,0,0,0,0|2,0,0]=4 6714 B14R0.145 CCOCCOC(=O)COCCCCF 34a_100011995726_200000101388 [0,2,0,0,0,0|2,0,0]=4 6715 B14R0.145 CCOCCOC(=O)COCCCCF 7a_100011995726_200000101388 [0,2,0,0,0,0|2,0,0]=4 6716 B14R0.145 CCOCCOC(=O)COCCCCI 34a_200012148704_200000101388 [0,2,0,0,0,0|2,0,0]=4 6717 B14R0.145 CCOCCOC(=O)COCCCCN 34a_100000750430_200000101388 [0,2,0,0,0,0|2,0,0]=4 6718 B14R0.145 CCOCCOC(=O)COCCCNC 34a_100000213112_200000101388 [0,2,0,0,0,0|2,0,0]=4 6719 B14R0.145 CCOCCOC(=O)COCCCOC 34a_100000740835_200000101388 [0,2,0,0,0,0|1,1,0]=4 6720 B14R0.145 CCOCCOC(=O)COCCCSC 34a_100000690336_200000101388 [0,2,0,0,0,0|1,0,0]=3 6721 B14R0.145 CCOCCOC(=O)COCCCSC 7a_100000690336_200000101388 [0,2,0,0,0,0|1,0,0]=3 6722 B14R0.145 CCOCCOC(=O)COCCSCC 34a_100000212035_200000101388 [0,2,0,0,0,0|2,0,0]=4 6723 B14R0.145 CCOCCOC(=O)COCCSCC 7a_100000212035_200000101388 [0,2,0,0,0,0|2,0,0]=4 6724 B14R0.145 CCOCCOC(=O)CSCCCCF 62a_100000729493_200000101388 [0,2,0,0,0,0|2,0,0]=4 6725 B14R0.145 CCOCCOC(=O)CSCCCCF 62a_200000101388_100000729493 [0,2,0,0,0,0|2,0,0]=4 6726 B14R0.145 CCOCCOC(=O)CSCCCCO 62a_100000210776_200000101388 [0,2,0,0,0,0|2,0,0]=4 6727 B14R0.145 CCOCCOC(=O)CSCCCCO 62a_200000101388_100000210776 [0,2,0,0,0,0|2,0,0]=4 6728 B14R0.145 CCOCCOC(=O)CSCCCOC 62a_100000709357_200000101388 [0,2,0,0,0,0|2,0,0]=4 6729 B14R0.145 CCOCCOC(=O)CSCCCOC 62a_200000101388_100000709357 [0,2,0,0,0,0|2,0,0]=4 6730 B14R0.145 CCOCCOC(=O)CSCCOCC 62a_100000210147_200000101388 [0,2,0,0,0,0|2,0,0]=4 6731 B14R0.145 CCOCCOC(=O)CSCCOCC 62a_200000101388_100011215890 [0,2,0,0,0,0|2,0,0]=4 6732 B14R0.145 CCOCCOC(=O)CSCCSCC 62a_100000757381_200000101388 [0,2,0,0,0,0|2,0,0]=4 6733 B14R0.145 CCOCCOC(=O)CSCCSCC 62a_200000101388_100000757381 [0,2,0,0,0,0|2,0,0]=4 6734 B14R0.145 CCOCCOCC(=O)NCCCOC 34a_100000210136_100000183178 [0,2,0,0,0,0|1,1,0]=4 6735 B14R0.145 CCOCCOCC(=O)NCCCOC 7a_100000210136_100000183178 [0,2,0,0,0,0|1,1,0]=4 6736 B14R0.145 CCOCCOCC(=O)OCCOCC 34a_100000210136_200000101388 [0,2,0,0,0,0|2,0,0]=4 6737 B14R0.145 CCOCCOCC(=O)OCCOCC 7a_100000210136_200000101388 [0,2,0,0,0,0|2,0,0]=4 6738 B14R0.145 CCOCCSCC(=O)NCCCOC 62a_100000183178_100011215890 [0,2,0,0,0,0|1,1,0]=4 6739 B14R0.145 CCSCCNCC(=O)NCCCOC 2230a_100000106463_100000183178 [0,2,0,0,0,0|1,1,0]=4 6740 B14R0.145 CCSCCOCC(=O)NCCCOC 34a_100000212035_100000183178 [0,2,0,0,0,0|1,1,0]=4 6741 B14R0.145 CCSCCOCC(=O)NCCCOC 7a_100000212035_100000183178 [0,2,0,0,0,0|1,1,0]=4 6742 B14R0.145 CCSCCSCC(=O)NCCCOC 62a_100000183178_100000757381 [0,2,0,0,0,0|1,1,0]=4 6743 B14R0.145 CNCCCOCC(=O)NCCCOC 34a_100000213112_100000183178 [0,2,0,0,0,0|1,1,0]=4 6744 B14R0.145 COCCCCC(=O)CCCCCCO 1458a_100011996774_100000755781 [0,2,0,0,0,0|1,1,0]=4 6745 B14R0.145 COCCCCC(=O)CCOCCOC 1458a_100000745395_100000755781 [0,2,0,0,0,0|1,1,0]=4 6746 B14R0.145 COCCCCCC(=O)CCCCCF 1458a_100011935119_100000729378 [0,2,0,0,0,0|1,1,0]=4 6747 B14R0.145 COCCCCCC(=O)CCCCCO 1458a_100011935119_100000746330 [0,2,0,0,0,0|1,1,0]=4 6748 B14R0.145 COCCCCCC(=O)CCCCOC 1458a_100011935119_100000755781 [0,2,0,0,0,0|1,1,0]=4 6749 B14R0.145 COCCCCCC(=O)NCCCOC 1626a_100150723488_100011935119 [0,2,0,0,0,0|1,1,0]=4 6750 B14R0.145 COCCCCCC(=O)NCCCOC 240690a_100150723488_100011935119 [0,2,0,0,0,0|1,1,0]=4 6751 B14R0.145 COCCCCCC(=O)NCCCOC 527a_100150723488_100011935119 [0,2,0,0,0,0|1,1,0]=4 6752 B14R0.145 COCCCCCC(=O)NCCCSC 11a_100000749238_100011935119 [0,2,0,0,0,0|1,0,0]=3 6753 B14R0.145 COCCCCCC(=O)NCCCSC 1626a_100000749238_100011935119 [0,2,0,0,0,0|1,0,0]=3 6754 B14R0.145 COCCCCCC(=O)NCCCSC 240690a_100000749238_100011935119 [0,2,0,0,0,0|1,0,0]=3 6755 B14R0.145 COCCCCCC(=O)NCCCSC 527a_100000749238_100011935119 [0,2,0,0,0,0|1,0,0]=3 6756 B14R0.145 COCCCNC(=O)CCCCCCO 240690a_100150723488_100011996774 [0,2,0,0,0,0|1,1,0]=4 6757 B14R0.145 COCCCNC(=O)CCOCCOC 1626a_100150723488_100000745395 [0,2,0,0,0,0|1,1,0]=4 6758 B14R0.145 COCCCNC(=O)CCOCCOC 240690a_100150723488_100000745395 [0,2,0,0,0,0|1,1,0]=4 6759 B14R0.145 COCCCNC(=O)CCOCCOC 527a_100150723488_100000745395 [0,2,0,0,0,0|1,1,0]=4 6760 B14R0.145 COCCCNC(=O)CNCCCCO 2230a_100000750430_100000183178 [0,2,0,0,0,0|1,1,0]=4 6761 B14R0.145 COCCCNC(=O)CNCCCCO 34a_100000750430_100000183178 [0,2,0,0,0,0|1,1,0]=4 6762 B14R0.145 COCCCNC(=O)CNCCCSC 2230a_100000749238_100000183178 [0,2,0,0,0,0|1,1,0]=4 6763 B14R0.145 COCCCNC(=O)COCCCCBr 34a_100011216708_100000183178 [0,2,0,0,0,0|1,1,0]=4 6764 B14R0.145 COCCCNC(=O)COCCCCCl 34a_100000210776_100000183178 [0,2,0,0,0,0|1,1,0]=4 6765 B14R0.145 COCCCNC(=O)COCCCCCl 7a_100000210776_100000183178 [0,2,0,0,0,0|1,1,0]=4 6766 B14R0.145 COCCCNC(=O)COCCCCF 34a_100011995726_100000183178 [0,2,0,0,0,0|1,1,0]=4 6767 B14R0.145 COCCCNC(=O)COCCCCF 7a_100011995726_100000183178 [0,2,0,0,0,0|1,1,0]=4 6768 B14R0.145 COCCCNC(=O)COCCCCI 34a_200012148704_100000183178 [0,2,0,0,0,0|1,1,0]=4 6769 B14R0.145 COCCCNC(=O)COCCCCN 34a_100000750430_100000183178 [0,2,0,0,0,0|1,1,0]=4 6770 B14R0.145 COCCCNC(=O)COCCCOC 34a_100000740835_100000183178 [0,2,0,0,0,0|1,1,0]=4 6771 B14R0.145 COCCCNC(=O)COCCCSC 34a_100000690336_100000183178 [0,2,0,0,0,0|1,0,0]=3 6772 B14R0.145 COCCCNC(=O)COCCCSC 7a_100000690336_100000183178 [0,2,0,0,0,0|1,0,0]=3 6773 B14R0.145 COCCCNC(=O)CSCCCCF 62a_100000183178_100000729493 [0,2,0,0,0,0|1,1,0]=4 6774 B14R0.145 COCCCNC(=O)CSCCCCO 62a_100000183178_100000210776 [0,2,0,0,0,0|1,1,0]=4 6775 B14R0.145 COCCCNC(=O)CSCCCOC 62a_100000183178_100000709357 [0,2,0,0,0,0|1,1,0]=4 6776 B14R0.145 COCCCNC(=O)NCCCCCO 2708a_100150723488_100000762737 [0,2,0,0,0,0|1,1,0]=4 6777 B14R0.145 COCCCNC(=O)NCCCCCO 273464a_100000762737_100150723488 [0,2,0,0,0,0|1,1,0]=4 6778 B14R0.145 COCCCNC(=O)NCCCCCO 273464a_100150723488_100000762737 [0,2,0,0,0,0|1,1,0]=4 6779 B14R0.145 COCCCNC(=O)NCCCCCO 512a_100000762737_100150723488 [0,2,0,0,0,0|1,1,0]=4 6780 B14R0.145 COCCCNCC(=O)NCCCOC 34a_100150723488_100000183178 [0,2,0,0,0,0|1,1,0]=4 6781 B14R0.145 COCCCNNC(=O)CCCCCO 22a_100025702787_100102619762 [0,2,0,0,0,0|1,1,0]=4 6782 B14R0.145 COCCCNNC(=O)NCCCSC 273464a_100000749238_100025702787 [0,2,0,0,0,0|2,0,0]=4 6783 B14R0.145 COCCCNNC(=O)NCCCSC 512a_100000749238_100025702787 [0,2,0,0,0,0|2,0,0]=4 6784 B14R0.145 COCCOCCC(=O)CCCCCF 1458a_100000745395_100000729378 [0,2,0,0,0,0|1,1,0]=4 6785 B14R0.145 COCCOCCC(=O)CCCCCO 1458a_100000745395_100000746330 [0,2,0,0,0,0|1,1,0]=4 6786 B14R0.145 COCCOCCC(=O)CCCCCO 1458a_100102619762_100000695917 [0,2,0,0,0,0|1,1,0]=4 6787 B14R0.145 COCCOCCC(=O)NCCCSC 11a_100000749238_100000745395 [0,2,0,0,0,0|1,0,0]=3 6788 B14R0.145 COCCOCCC(=O)NCCCSC 1626a_100000749238_100000745395 [0,2,0,0,0,0|1,0,0]=3 6789 B14R0.145 COCCOCCC(=O)NCCCSC 240690a_100000749238_100000745395 [0,2,0,0,0,0|1,0,0]=3 6790 B14R0.145 COCCOCCC(=O)NCCCSC 527a_100000749238_100000745395 [0,2,0,0,0,0|1,0,0]=3 6791 B14R0.145 CSCCCNC(=O)CCCCCCO 240690a_100000749238_100011996774 [0,2,0,0,0,0|1,0,0]=3 6792 B14R0.145 CSCCCNC(=O)CCCCN=[N+]=[N-] 11a_100000749238_100000070148 [0,2,0,0,0,0|2,0,0]=4 6793 B14R0.145 CSCCCNC(=O)CCCCN=[N+]=[N-] 240690a_100000749238_100000070148 [0,2,0,0,0,0|2,0,0]=4 6794 B14R0.145 CSCCCNC(=O)CCCCN=[N+]=[N-] 527a_100000749238_100000070148 [0,2,0,0,0,0|2,0,0]=4 6795 B14R0.145 CSCCCNC(=O)NCCCCC#N 2708a_100000749238_100000751965 [0,2,0,0,0,0|1,0,1]=4 6796 B14R0.145 CSCCCNC(=O)NCCCCC#N 2708a_100000751965_100000749238 [0,2,0,0,0,0|1,0,1]=4 6797 B14R0.145 CSCCCNC(=O)NCCCCC#N 273464a_100000749238_100000751965 [0,2,0,0,0,0|1,0,1]=4 6798 B14R0.145 CSCCCNC(=O)NCCCCC#N 273464a_100000751965_100000749238 [0,2,0,0,0,0|1,0,1]=4 6799 B14R0.145 CSCCCNC(=O)NCCCCC#N 512a_100000749238_100000751965 [0,2,0,0,0,0|1,0,1]=4 6800 B14R0.145 CSCCCNC(=O)NCCCCC#N 512a_100000751965_100000749238 [0,2,0,0,0,0|1,0,1]=4 6801 B14R0.145 CSCCCNC(=O)NCCCCCO 2708a_100000749238_100000762737 [0,2,0,0,0,0|1,0,0]=3 6802 B14R0.145 CSCCCNC(=O)NCCCCCO 273464a_100000749238_100000762737 [0,2,0,0,0,0|1,0,0]=3 6803 B14R0.145 CSCCCNC(=O)NCCCCCO 273464a_100000762737_100000749238 [0,2,0,0,0,0|1,0,0]=3 6804 B14R0.145 CSCCCNC(=O)NCCCCCO 512a_100000749238_100000762737 [0,2,0,0,0,0|1,0,0]=3 6805 B14R0.145 CSCCCNC(=O)NCCCCCO 512a_100000762737_100000749238 [0,2,0,0,0,0|1,0,0]=3 6806 B14R0.145 CSCCCNC(=O)NCCOCCO 2708a_100000749238_100000211614 [0,2,0,0,0,0|2,0,0]=4 6807 B14R0.145 CSCCCNC(=O)NCCOCCO 273464a_100000211614_100000749238 [0,2,0,0,0,0|2,0,0]=4 6808 B14R0.145 CSCCCNC(=O)NCCOCCO 273464a_100000749238_100000211614 [0,2,0,0,0,0|2,0,0]=4 6809 B14R0.145 CSCCCNC(=O)NCCOCCO 512a_100000211614_100000749238 [0,2,0,0,0,0|2,0,0]=4 6810 B14R0.145 CSCCCNC(=O)NCCSCCO 2708a_100000749238_100011219999 [0,2,0,0,0,0|2,0,0]=4 6811 B14R0.145 CSCCCNC(=O)NCCSCCO 273464a_100000749238_100011219999 [0,2,0,0,0,0|2,0,0]=4 6812 B14R0.145 CSCCCNC(=O)NCCSCCO 273464a_100011219999_100000749238 [0,2,0,0,0,0|2,0,0]=4 6813 B14R0.145 CSCCCNC(=O)NCCSCCO 512a_100000749238_100011219999 [0,2,0,0,0,0|2,0,0]=4 6814 B14R0.145 CSCCCNC(=O)NCCSCCO 512a_100011219999_100000749238 [0,2,0,0,0,0|2,0,0]=4 6815 B14R0.145 O=C(CCCCCF)CCCCCCO 1458a_100011996774_100000729378 [0,2,0,0,0,0|2,0,0]=4 6816 B14R0.145 O=C(CCCCCO)CCCCCCF 1458a_100102619762_100015922095 [0,2,0,0,0,0|2,0,0]=4 6817 B14R0.145 O=C(CCCCCO)CCCCCCO 1458a_100011996774_100000746330 [0,2,0,0,0,0|2,0,0]=4 6818 B14R0.145 O=C(CCCCCO)CCCCCCO 1458a_100102619762_100000766143 [0,2,0,0,0,0|2,0,0]=4 6819 B14R0.145 O=C(CCCCCO)NCCCCCO 240690a_100000762737_100102619762 [0,2,0,0,0,0|2,0,0]=4 6820 B14R0.199 CCCC(=O)CCC(=O)OCCCCO 1458a_200009914559_100000210303 [0,2,0,0,0,0|2,0,0]=4 6821 B14R0.199 CCCC(C)NCC(=O)NCCCOC 2230a_100000741246_100000183178 [0,2,0,0,0,0|1,1,0]=4 6822 B14R0.199 CCCC(C)NCC(=O)OCCOCC 2230a_100000741246_200000101388 [0,2,0,0,0,0|2,0,0]=4 6823 B14R0.199 CCCC(C)OCC(=O)NCCCOC 34a_100000764384_100000183178 [0,2,0,0,0,0|1,1,0]=4 6824 B14R0.199 CCCC(C)OCC(=O)NCCCOC 7a_100000764384_100000183178 [0,2,0,0,0,0|1,1,0]=4 6825 B14R0.199 CCCC(C)OCC(=O)OCCOCC 34a_100000764384_200000101388 [0,2,0,0,0,0|2,0,0]=4 6826 B14R0.199 CCCC(C)OCC(=O)OCCOCC 7a_100000764384_200000101388 [0,2,0,0,0,0|2,0,0]=4 6827 B14R0.199 CCCC(C)SCC(=O)NCCCOC 62a_100000183178_100000766640 [0,2,0,0,0,0|1,1,0]=4 6828 B14R0.199 CCCC(C)SCC(=O)OCCOCC 62a_100000766640_200000101388 [0,2,0,0,0,0|2,0,0]=4 6829 B14R0.199 CCCC(C)SCC(=O)OCCOCC 62a_200000101388_100000766640 [0,2,0,0,0,0|2,0,0]=4 6830 B14R0.199 CCCCCCC(=O)NCC(O)COC 240690a_100000756049_100102632555 [0,2,0,0,0,0|1,1,0]=4 6831 B14R0.199 CCCCCCC(=O)NCC(O)COC 527a_100000756049_100102632555 [0,2,0,0,0,0|1,1,0]=4 6832 B14R0.199 CCCCCNC(=O)CNC(C)CCC 2230a_100000741246_100000230301 [0,2,0,0,0,0|2,0,0]=4 6833 B14R0.199 CCCCCNC(=O)COC(C)CCC 34a_100000764384_100000230301 [0,2,0,0,0,0|2,0,0]=4 6834 B14R0.199 CCCCCNC(=O)COC(C)CCC 7a_100000764384_100000230301 [0,2,0,0,0,0|2,0,0]=4 6835 B14R0.199 CCCCCNC(=O)CSC(C)CCC 62a_100000230301_100000766640 [0,2,0,0,0,0|2,0,0]=4 6836 B14R0.199 CCCCCNC(=O)CSC(C)CCC 62a_100000766640_100000230301 [0,2,0,0,0,0|2,0,0]=4 6837 B14R0.199 CCCCCNC(=O)NCC(O)COC 2708a_100000209983_100000756049 [0,2,0,0,0,0|1,1,0]=4 6838 B14R0.199 CCCCCNC(=O)NCC(O)COC 273464a_100000209983_100000756049 [0,2,0,0,0,0|1,1,0]=4 6839 B14R0.199 CCCCCNC(=O)NCC(O)COC 273464a_100000756049_100000209983 [0,2,0,0,0,0|1,1,0]=4 6840 B14R0.199 CCCCCNC(=O)NCC(O)COC 512a_100000209983_100000756049 [0,2,0,0,0,0|1,1,0]=4 6841 B14R0.199 CCCCCNC(=O)NCC(O)COC 512a_100000756049_100000209983 [0,2,0,0,0,0|1,1,0]=4 6842 B14R0.199 CCCCOCC(=O)NCC(O)COC 240690a_100000756049_100000757543 [0,2,0,0,0,0|1,1,0]=4 6843 B14R0.199 CCCCOCC(=O)NCC(O)COC 527a_100000756049_100000757543 [0,2,0,0,0,0|1,1,0]=4 6844 B14R0.199 CCCCSCC(=O)NCC(O)COC 240690a_100000756049_100000191162 [0,2,0,0,0,0|1,1,0]=4 6845 B14R0.199 CCCCSCC(=O)NCC(O)COC 527a_100000756049_100000191162 [0,2,0,0,0,0|1,1,0]=4 6846 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 11a_100000749238_100000199579 [0,2,0,0,0,0|1,0,1]=4 6847 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000199579 [0,2,0,0,0,0|1,0,1]=4 6848 B14R0.199 CCNC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000199579 [0,2,0,0,0,0|1,0,1]=4 6849 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 11a_100000749238_100000183558 [0,2,0,0,0,0|1,0,1]=4 6850 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000183558 [0,2,0,0,0,0|1,0,1]=4 6851 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000183558 [0,2,0,0,0,0|1,0,1]=4 6852 B14R0.199 COCC(O)CNC(=O)CCCCCO 240690a_100000756049_100102619762 [0,2,0,0,0,0|1,1,0]=4 6853 B14R0.199 COCC(O)CNC(=O)NCCCSC 2708a_100000749238_100000756049 [0,2,0,0,0,0|2,0,0]=4 6854 B14R0.199 COCC(O)CNC(=O)NCCCSC 273464a_100000749238_100000756049 [0,2,0,0,0,0|2,0,0]=4 6855 B14R0.199 COCC(O)CNC(=O)NCCCSC 273464a_100000756049_100000749238 [0,2,0,0,0,0|2,0,0]=4 6856 B14R0.199 COCC(O)CNC(=O)NCCCSC 512a_100000749238_100000756049 [0,2,0,0,0,0|2,0,0]=4 6857 B14R0.199 COCC(O)CNC(=O)NCCCSC 512a_100000756049_100000749238 [0,2,0,0,0,0|2,0,0]=4 6858 B14R0.203 CCCCC(=O)CC(=O)NCCCOC 1458a_100000210183_100000183178 [0,2,0,0,0,0|1,1,0]=4 6859 B14R0.203 CCCCC(=O)CC(=O)OCCOCC 1458a_100000210183_200000101388 [0,2,0,0,0,0|2,0,0]=4 6860 B14R0.203 CCCCC(C)NC(=O)CCCCCO 240690a_100000126638_100102619762 [0,2,0,0,0,0|2,0,0]=4 6861 B14R0.203 CCCCC(C)NC(=O)NCCCOC 2708a_100000126638_100150723488 [0,2,0,0,0,0|1,1,0]=4 6862 B14R0.203 CCCCC(C)NC(=O)NCCCOC 2708a_100150723488_100000126638 [0,2,0,0,0,0|1,1,0]=4 6863 B14R0.203 CCCCC(C)NC(=O)NCCCOC 273464a_100000126638_100150723488 [0,2,0,0,0,0|1,1,0]=4 6864 B14R0.203 CCCCC(C)NC(=O)NCCCOC 273464a_100150723488_100000126638 [0,2,0,0,0,0|1,1,0]=4 6865 B14R0.203 CCCCC(C)NC(=O)NCCCOC 512a_100000126638_100150723488 [0,2,0,0,0,0|1,1,0]=4 6866 B14R0.203 CCCCC(C)NC(=O)NCCCSC 2708a_100000126638_100000749238 [0,2,0,0,0,0|1,0,0]=3 6867 B14R0.203 CCCCC(C)NC(=O)NCCCSC 2708a_100000749238_100000126638 [0,2,0,0,0,0|1,0,0]=3 6868 B14R0.203 CCCCC(C)NC(=O)NCCCSC 273464a_100000126638_100000749238 [0,2,0,0,0,0|1,0,0]=3 6869 B14R0.203 CCCCC(C)NC(=O)NCCCSC 273464a_100000749238_100000126638 [0,2,0,0,0,0|1,0,0]=3 6870 B14R0.203 CCCCC(C)NC(=O)NCCCSC 512a_100000126638_100000749238 [0,2,0,0,0,0|1,0,0]=3 6871 B14R0.203 CCCCC(C)NC(=O)NCCCSC 512a_100000749238_100000126638 [0,2,0,0,0,0|1,0,0]=3 6872 B14R0.203 CCCCCCC(=O)NC(C)CCCC 11a_100000126638_100102632555 [0,2,0,0,0,0|2,0,0]=4 6873 B14R0.203 CCCCCCC(=O)NC(C)CCCC 1626a_100000126638_100102632555 [0,2,0,0,0,0|2,0,0]=4 6874 B14R0.203 CCCCCCC(=O)NC(C)CCCC 240690a_100000126638_100102632555 [0,2,0,0,0,0|2,0,0]=4 6875 B14R0.203 CCCCCCC(=O)NC(C)CCCC 527a_100000126638_100102632555 [0,2,0,0,0,0|2,0,0]=4 6876 B14R0.203 CCCCCNC(=O)CC(=O)CCCC 1458a_100000210183_100000230301 [0,2,0,0,0,0|2,0,0]=4 6877 B14R0.203 CCCCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000230301 [0,2,0,0,0,0|1,0,1]=4 6878 B14R0.203 CCCCCNC(=O)CN(C)CCCC 2230a_100000207549_100000230301 [0,2,0,0,0,0|2,0,0]=4 6879 B14R0.203 CCCCCNC(=O)CN(C)CCCC 269982a_100000207549_100000230301 [0,2,0,0,0,0|2,0,0]=4 6880 B14R0.203 CCCCCNC(=O)CN(C)CCSC 2230a_100000686725_100000230301 [0,2,0,0,0,0|2,0,0]=4 6881 B14R0.203 CCCCCNC(=O)CN(C)CCSC 269982a_100000686725_100000230301 [0,2,0,0,0,0|2,0,0]=4 6882 B14R0.203 CCCCCNC(=O)NC(C)CCCC 2708a_100000126638_100000209983 [0,2,0,0,0,0|2,0,0]=4 6883 B14R0.203 CCCCCNC(=O)NC(C)CCCC 2708a_100000209983_100000126638 [0,2,0,0,0,0|2,0,0]=4 6884 B14R0.203 CCCCCNC(=O)NC(C)CCCC 273464a_100000126638_100000209983 [0,2,0,0,0,0|2,0,0]=4 6885 B14R0.203 CCCCCNC(=O)NC(C)CCCC 273464a_100000209983_100000126638 [0,2,0,0,0,0|2,0,0]=4 6886 B14R0.203 CCCCCNC(=O)NC(C)CCCC 512a_100000126638_100000209983 [0,2,0,0,0,0|2,0,0]=4 6887 B14R0.203 CCCCCNC(=O)NC(C)CCCC 512a_100000209983_100000126638 [0,2,0,0,0,0|2,0,0]=4 6888 B14R0.203 CCCCN(C)CC(=O)NCCCOC 2230a_100000168148_100000210211 [0,2,0,0,0,0|1,1,0]=4 6889 B14R0.203 CCCCN(C)CC(=O)NCCCOC 2230a_100000207549_100000183178 [0,2,0,0,0,0|1,1,0]=4 6890 B14R0.203 CCCCN(C)CC(=O)NCCCOC 269982a_100000168148_100000210211 [0,2,0,0,0,0|1,1,0]=4 6891 B14R0.203 CCCCN(C)CC(=O)NCCCOC 269982a_100000207549_100000183178 [0,2,0,0,0,0|1,1,0]=4 6892 B14R0.203 CCCCN(C)CC(=O)OCCOCC 2230a_100000207549_200000101388 [0,2,0,0,0,0|2,0,0]=4 6893 B14R0.203 CCCCN(C)CC(=O)OCCOCC 269982a_100000207549_200000101388 [0,2,0,0,0,0|2,0,0]=4 6894 B14R0.203 CCCCOCC(=O)NC(C)CCCC 11a_100000126638_100000757543 [0,2,0,0,0,0|2,0,0]=4 6895 B14R0.203 CCCCOCC(=O)NC(C)CCCC 1626a_100000126638_100000757543 [0,2,0,0,0,0|2,0,0]=4 6896 B14R0.203 CCCCOCC(=O)NC(C)CCCC 240690a_100000126638_100000757543 [0,2,0,0,0,0|2,0,0]=4 6897 B14R0.203 CCCCOCC(=O)NC(C)CCCC 527a_100000126638_100000757543 [0,2,0,0,0,0|2,0,0]=4 6898 B14R0.203 CCCCSCC(=O)NC(C)CCCC 11a_100000126638_100000191162 [0,2,0,0,0,0|2,0,0]=4 6899 B14R0.203 CCCCSCC(=O)NC(C)CCCC 1626a_100000126638_100000191162 [0,2,0,0,0,0|2,0,0]=4 6900 B14R0.203 CCCCSCC(=O)NC(C)CCCC 240690a_100000126638_100000191162 [0,2,0,0,0,0|2,0,0]=4 6901 B14R0.203 CCCCSCC(=O)NC(C)CCCC 527a_100000126638_100000191162 [0,2,0,0,0,0|2,0,0]=4 6902 B14R0.203 COCCN(C)CC(=O)NCCCSC 240690a_100000749238_100015184299 [0,2,0,0,0,0|2,0,0]=4 6903 B14R0.203 COCCN(C)CC(=O)NCCCSC 527a_100000749238_100015184299 [0,2,0,0,0,0|2,0,0]=4 6904 B14R0.2151 CCCCCCS(=O)(=O)NCCCSC 270084a_100000749238_100011361803 [0,2,0,0,0,0|2,0,0]=4 6905 B14R0.2151 CCCCCCS(=O)(=O)NCCCSC 274078a_100000749238_100011361803 [0,2,0,0,0,0|2,0,0]=4 6906 B14R0.2224 CC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000735457 [0,2,0,0,0,0|2,0,0]=4 6907 B14R0.2224 CC(C)CCCCC(=O)CCCCCF 1458a_100011933920_100000729378 [0,2,0,0,0,0|2,0,0]=4 6908 B14R0.2224 CC(C)CCCCC(=O)CCCCCO 1458a_100011933920_100000746330 [0,2,0,0,0,0|2,0,0]=4 6909 B14R0.2224 CC(C)CCCCC(=O)CCCCCO 1458a_100102619762_100011216152 [0,2,0,0,0,0|2,0,0]=4 6910 B14R0.2224 CC(C)CCCNC(=O)CCCCCO 240690a_200000737386_100102619762 [0,2,0,0,0,0|2,0,0]=4 6911 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,2,0,0,0,0|2,0,0]=4 6912 B14R0.2224 CCCCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210757 [0,2,0,0,0,0|2,0,0]=4 6913 B14R0.2224 CCCCCCC(=O)CCCCC(C)C 1458a_100102632555_100011216152 [0,2,0,0,0,0|2,0,0]=4 6914 B14R0.2224 CCCCCCC(=O)NCCCC(C)C 11a_200000737386_100102632555 [0,2,0,0,0,0|2,0,0]=4 6915 B14R0.2224 CCCCCCC(=O)NCCCC(C)C 1626a_200000737386_100102632555 [0,2,0,0,0,0|2,0,0]=4 6916 B14R0.2224 CCCCCCC(=O)NCCCC(C)C 240690a_200000737386_100102632555 [0,2,0,0,0,0|2,0,0]=4 6917 B14R0.2224 CCCCCCC(=O)NCCCC(C)C 527a_200000737386_100102632555 [0,2,0,0,0,0|2,0,0]=4 6918 B14R0.2224 CCCCCCC(=O)NCCCN(C)C 240690a_102531767803_100102632555 [0,2,0,0,0,0|2,0,0]=4 6919 B14R0.2224 CCCCCCC(=O)NCCCN(C)C 527a_102531767803_100102632555 [0,2,0,0,0,0|2,0,0]=4 6920 B14R0.2224 CCCCCCC(=O)NCCCS(=O)C 11a_200000753449_100102632555 [0,2,0,0,0,0|1,0,1]=4 6921 B14R0.2224 CCCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100102632555 [0,2,0,0,0,0|1,0,1]=4 6922 B14R0.2224 CCCCCCC(=O)NCCCS(=O)C 527a_200000753449_100102632555 [0,2,0,0,0,0|1,0,1]=4 6923 B14R0.2224 CCCCCNC(=O)CCCCC(C)C 11a_100000209983_100011933920 [0,2,0,0,0,0|2,0,0]=4 6924 B14R0.2224 CCCCCNC(=O)CCCCC(C)C 1626a_100000209983_100011933920 [0,2,0,0,0,0|2,0,0]=4 6925 B14R0.2224 CCCCCNC(=O)CCCCC(C)C 240690a_100000209983_100011933920 [0,2,0,0,0,0|2,0,0]=4 6926 B14R0.2224 CCCCCNC(=O)CCCCC(C)C 527a_100000209983_100011933920 [0,2,0,0,0,0|2,0,0]=4 6927 B14R0.2224 CCCCCNC(=O)CCCCN(C)C 11a_100000209983_100000751710 [0,2,0,0,0,0|2,0,0]=4 6928 B14R0.2224 CCCCCNC(=O)CCCCN(C)C 240690a_100000209983_100000751710 [0,2,0,0,0,0|2,0,0]=4 6929 B14R0.2224 CCCCCNC(=O)CCCCN(C)C 527a_100000209983_100000751710 [0,2,0,0,0,0|2,0,0]=4 6930 B14R0.2224 CCCCCNC(=O)CNCCC(C)O 2230a_200000755665_100000230301 [0,2,0,0,0,0|2,0,0]=4 6931 B14R0.2224 CCCCCNC(=O)COCCC(C)Br 34a_100009893172_100000230301 [0,2,0,0,0,0|2,0,0]=4 6932 B14R0.2224 CCCCCNC(=O)COCCC(C)C 34a_100000210254_100000230301 [0,2,0,0,0,0|2,0,0]=4 6933 B14R0.2224 CCCCCNC(=O)COCCC(C)C 7a_100000210254_100000230301 [0,2,0,0,0,0|2,0,0]=4 6934 B14R0.2224 CCCCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000230301 [0,2,0,0,0,0|2,0,0]=4 6935 B14R0.2224 CCCCCNC(=O)CSCCC(C)C 62a_100000210312_100000230301 [0,2,0,0,0,0|2,0,0]=4 6936 B14R0.2224 CCCCCNC(=O)CSCCC(C)C 62a_100000230301_100000210312 [0,2,0,0,0,0|2,0,0]=4 6937 B14R0.2224 CCCCCNC(=O)CSCCC(C)O 62a_100000230301_100012276601 [0,2,0,0,0,0|2,0,0]=4 6938 B14R0.2224 CCCCCNC(=O)CSCCC(C)O 62a_100012276601_100000230301 [0,2,0,0,0,0|2,0,0]=4 6939 B14R0.2224 CCCCCNC(=O)NCCCC(C)C 2708a_100000209983_200000737386 [0,2,0,0,0,0|2,0,0]=4 6940 B14R0.2224 CCCCCNC(=O)NCCCC(C)C 2708a_200000737386_100000209983 [0,2,0,0,0,0|2,0,0]=4 6941 B14R0.2224 CCCCCNC(=O)NCCCC(C)C 273464a_100000209983_200000737386 [0,2,0,0,0,0|2,0,0]=4 6942 B14R0.2224 CCCCCNC(=O)NCCCC(C)C 273464a_200000737386_100000209983 [0,2,0,0,0,0|2,0,0]=4 6943 B14R0.2224 CCCCCNC(=O)NCCCC(C)C 512a_100000209983_200000737386 [0,2,0,0,0,0|2,0,0]=4 6944 B14R0.2224 CCCCCNC(=O)NCCCC(C)C 512a_200000737386_100000209983 [0,2,0,0,0,0|2,0,0]=4 6945 B14R0.2224 CCCCCNC(=O)NCCCN(C)C 2708a_100000209983_102531767803 [0,2,0,0,0,0|2,0,0]=4 6946 B14R0.2224 CCCCCNC(=O)NCCCN(C)C 273464a_100000209983_102531767803 [0,2,0,0,0,0|2,0,0]=4 6947 B14R0.2224 CCCCCNC(=O)NCCCN(C)C 273464a_102531767803_100000209983 [0,2,0,0,0,0|2,0,0]=4 6948 B14R0.2224 CCCCCNC(=O)NCCCN(C)C 512a_100000209983_102531767803 [0,2,0,0,0,0|2,0,0]=4 6949 B14R0.2224 CCCCCNC(=O)NCCCN(C)C 512a_102531767803_100000209983 [0,2,0,0,0,0|2,0,0]=4 6950 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 2708a_100000209983_200000753449 [0,2,0,0,0,0|1,0,1]=4 6951 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000209983 [0,2,0,0,0,0|1,0,1]=4 6952 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 273464a_100000209983_200000753449 [0,2,0,0,0,0|1,0,1]=4 6953 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000209983 [0,2,0,0,0,0|1,0,1]=4 6954 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 512a_100000209983_200000753449 [0,2,0,0,0,0|1,0,1]=4 6955 B14R0.2224 CCCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000209983 [0,2,0,0,0,0|1,0,1]=4 6956 B14R0.2224 CCCCOCC(=O)CCCCC(=O)C 1458a_100000757543_100000735457 [0,2,0,0,0,0|2,0,0]=4 6957 B14R0.2224 CCCCOCC(=O)CCCCC(C)C 1458a_100000757543_100011216152 [0,2,0,0,0,0|2,0,0]=4 6958 B14R0.2224 CCCCOCC(=O)CCCCC(C)C 1458a_100011933920_100011995733 [0,2,0,0,0,0|2,0,0]=4 6959 B14R0.2224 CCCCOCC(=O)NCCCC(C)C 11a_200000737386_100000757543 [0,2,0,0,0,0|2,0,0]=4 6960 B14R0.2224 CCCCOCC(=O)NCCCC(C)C 1626a_200000737386_100000757543 [0,2,0,0,0,0|2,0,0]=4 6961 B14R0.2224 CCCCOCC(=O)NCCCC(C)C 240690a_200000737386_100000757543 [0,2,0,0,0,0|2,0,0]=4 6962 B14R0.2224 CCCCOCC(=O)NCCCC(C)C 527a_200000737386_100000757543 [0,2,0,0,0,0|2,0,0]=4 6963 B14R0.2224 CCCCOCC(=O)NCCCN(C)C 240690a_102531767803_100000757543 [0,2,0,0,0,0|2,0,0]=4 6964 B14R0.2224 CCCCOCC(=O)NCCCN(C)C 527a_102531767803_100000757543 [0,2,0,0,0,0|2,0,0]=4 6965 B14R0.2224 CCCCOCC(=O)NCCCS(=O)C 11a_200000753449_100000757543 [0,2,0,0,0,0|1,0,1]=4 6966 B14R0.2224 CCCCOCC(=O)NCCCS(=O)C 240690a_200000753449_100000757543 [0,2,0,0,0,0|1,0,1]=4 6967 B14R0.2224 CCCCOCC(=O)NCCCS(=O)C 527a_200000753449_100000757543 [0,2,0,0,0,0|1,0,1]=4 6968 B14R0.2224 CCCCSCC(=O)CCCCC(=O)C 1458a_100000191162_100000735457 [0,2,0,0,0,0|2,0,0]=4 6969 B14R0.2224 CCCCSCC(=O)CCCCC(C)C 1458a_100000191162_100011216152 [0,2,0,0,0,0|2,0,0]=4 6970 B14R0.2224 CCCCSCC(=O)NCCCC(C)C 11a_200000737386_100000191162 [0,2,0,0,0,0|2,0,0]=4 6971 B14R0.2224 CCCCSCC(=O)NCCCC(C)C 1626a_200000737386_100000191162 [0,2,0,0,0,0|2,0,0]=4 6972 B14R0.2224 CCCCSCC(=O)NCCCC(C)C 240690a_200000737386_100000191162 [0,2,0,0,0,0|2,0,0]=4 6973 B14R0.2224 CCCCSCC(=O)NCCCC(C)C 527a_200000737386_100000191162 [0,2,0,0,0,0|2,0,0]=4 6974 B14R0.2224 CCCCSCC(=O)NCCCN(C)C 240690a_102531767803_100000191162 [0,2,0,0,0,0|2,0,0]=4 6975 B14R0.2224 CCCCSCC(=O)NCCCN(C)C 527a_102531767803_100000191162 [0,2,0,0,0,0|2,0,0]=4 6976 B14R0.2224 CCCCSCC(=O)NCCCS(=O)C 11a_200000753449_100000191162 [0,2,0,0,0,0|1,0,1]=4 6977 B14R0.2224 CCCCSCC(=O)NCCCS(=O)C 240690a_200000753449_100000191162 [0,2,0,0,0,0|1,0,1]=4 6978 B14R0.2224 CCCCSCC(=O)NCCCS(=O)C 527a_200000753449_100000191162 [0,2,0,0,0,0|1,0,1]=4 6979 B14R0.2224 CCCOCCC(=O)CCCCC(C)C 1458a_100011933920_100011215938 [0,2,0,0,0,0|2,0,0]=4 6980 B14R0.2224 CCOCCCC(=O)CCCCC(C)C 1458a_100011933920_100012232248 [0,2,0,0,0,0|2,0,0]=4 6981 B14R0.2224 CCOCCOC(=O)CNCCC(C)O 2230a_200000755665_200000101388 [0,2,0,0,0,0|2,0,0]=4 6982 B14R0.2224 CCOCCOC(=O)COCCC(C)Br 34a_100009893172_200000101388 [0,2,0,0,0,0|2,0,0]=4 6983 B14R0.2224 CCOCCOC(=O)COCCC(C)C 34a_100000210254_200000101388 [0,2,0,0,0,0|2,0,0]=4 6984 B14R0.2224 CCOCCOC(=O)COCCC(C)C 7a_100000210254_200000101388 [0,2,0,0,0,0|2,0,0]=4 6985 B14R0.2224 CCOCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200000101388 [0,2,0,0,0,0|2,0,0]=4 6986 B14R0.2224 CCOCCOC(=O)CSCCC(C)C 62a_100000210312_200000101388 [0,2,0,0,0,0|2,0,0]=4 6987 B14R0.2224 CCOCCOC(=O)CSCCC(C)C 62a_200000101388_100000210312 [0,2,0,0,0,0|2,0,0]=4 6988 B14R0.2224 CCOCCOC(=O)CSCCC(C)O 62a_100012276601_200000101388 [0,2,0,0,0,0|2,0,0]=4 6989 B14R0.2224 CCOCCOC(=O)CSCCC(C)O 62a_200000101388_100012276601 [0,2,0,0,0,0|2,0,0]=4 6990 B14R0.2224 CN(C)CCCNC(=O)CCCCCO 240690a_102531767803_100102619762 [0,2,0,0,0,0|2,0,0]=4 6991 B14R0.2224 COCCCCC(=O)CCCCC(C)C 1458a_100011933920_100000755781 [0,2,0,0,0,0|1,1,0]=4 6992 B14R0.2224 COCCCNC(=O)CCCCC(C)C 1626a_100150723488_100011933920 [0,2,0,0,0,0|1,1,0]=4 6993 B14R0.2224 COCCCNC(=O)CCCCC(C)C 240690a_100150723488_100011933920 [0,2,0,0,0,0|1,1,0]=4 6994 B14R0.2224 COCCCNC(=O)CCCCC(C)C 527a_100150723488_100011933920 [0,2,0,0,0,0|1,1,0]=4 6995 B14R0.2224 COCCCNC(=O)CCCCN(C)C 240690a_100150723488_100000751710 [0,2,0,0,0,0|1,1,0]=4 6996 B14R0.2224 COCCCNC(=O)CCCCN(C)C 527a_100150723488_100000751710 [0,2,0,0,0,0|1,1,0]=4 6997 B14R0.2224 COCCCNC(=O)CNCCC(C)O 2230a_200000755665_100000183178 [0,2,0,0,0,0|1,1,0]=4 6998 B14R0.2224 COCCCNC(=O)COCCC(C)Br 34a_100009893172_100000183178 [0,2,0,0,0,0|1,1,0]=4 6999 B14R0.2224 COCCCNC(=O)COCCC(C)C 34a_100000210254_100000183178 [0,2,0,0,0,0|1,1,0]=4 7000 B14R0.2224 COCCCNC(=O)COCCC(C)C 7a_100000210254_100000183178 [0,2,0,0,0,0|1,1,0]=4 7001 B14R0.2224 COCCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183178 [0,2,0,0,0,0|1,1,0]=4 7002 B14R0.2224 COCCCNC(=O)CSCCC(C)C 62a_100000183178_100000210312 [0,2,0,0,0,0|1,1,0]=4 7003 B14R0.2224 COCCCNC(=O)CSCCC(C)O 62a_100000183178_100012276601 [0,2,0,0,0,0|1,1,0]=4 7004 B14R0.2224 COCCCNC(=O)NCCCC(C)C 2708a_100150723488_200000737386 [0,2,0,0,0,0|1,1,0]=4 7005 B14R0.2224 COCCCNC(=O)NCCCC(C)C 2708a_200000737386_100150723488 [0,2,0,0,0,0|1,1,0]=4 7006 B14R0.2224 COCCCNC(=O)NCCCC(C)C 273464a_100150723488_200000737386 [0,2,0,0,0,0|1,1,0]=4 7007 B14R0.2224 COCCCNC(=O)NCCCC(C)C 273464a_200000737386_100150723488 [0,2,0,0,0,0|1,1,0]=4 7008 B14R0.2224 COCCCNC(=O)NCCCC(C)C 512a_200000737386_100150723488 [0,2,0,0,0,0|1,1,0]=4 7009 B14R0.2224 CS(=O)CCCNC(=O)CCCCCO 240690a_200000753449_100102619762 [0,2,0,0,0,0|1,0,1]=4 7010 B14R0.2224 CSCCCNC(=O)CCCCC(C)C 11a_100000749238_100011933920 [0,2,0,0,0,0|1,0,0]=3 7011 B14R0.2224 CSCCCNC(=O)CCCCC(C)C 1626a_100000749238_100011933920 [0,2,0,0,0,0|1,0,0]=3 7012 B14R0.2224 CSCCCNC(=O)CCCCC(C)C 240690a_100000749238_100011933920 [0,2,0,0,0,0|1,0,0]=3 7013 B14R0.2224 CSCCCNC(=O)CCCCC(C)C 527a_100000749238_100011933920 [0,2,0,0,0,0|1,0,0]=3 7014 B14R0.2224 CSCCCNC(=O)CCCCN(C)C 11a_100000749238_100000751710 [0,2,0,0,0,0|1,0,0]=3 7015 B14R0.2224 CSCCCNC(=O)CCCCN(C)C 240690a_100000749238_100000751710 [0,2,0,0,0,0|1,0,0]=3 7016 B14R0.2224 CSCCCNC(=O)CCCCN(C)C 527a_100000749238_100000751710 [0,2,0,0,0,0|1,0,0]=3 7017 B14R0.2224 CSCCCNC(=O)CCCNC(=O)C 11a_100000749238_100000194741 [0,2,0,0,0,0|1,0,1]=4 7018 B14R0.2224 CSCCCNC(=O)CCCNC(=O)C 1626a_100000749238_100000194741 [0,2,0,0,0,0|1,0,1]=4 7019 B14R0.2224 CSCCCNC(=O)CCCNC(=O)C 240690a_100000749238_100000194741 [0,2,0,0,0,0|1,0,1]=4 7020 B14R0.2224 CSCCCNC(=O)CCCNC(=O)C 527a_100000749238_100000194741 [0,2,0,0,0,0|1,0,1]=4 7021 B14R0.2224 CSCCCNC(=O)NCCCC(C)C 2708a_100000749238_200000737386 [0,2,0,0,0,0|1,0,0]=3 7022 B14R0.2224 CSCCCNC(=O)NCCCC(C)C 2708a_200000737386_100000749238 [0,2,0,0,0,0|1,0,0]=3 7023 B14R0.2224 CSCCCNC(=O)NCCCC(C)C 273464a_100000749238_200000737386 [0,2,0,0,0,0|1,0,0]=3 7024 B14R0.2224 CSCCCNC(=O)NCCCC(C)C 273464a_200000737386_100000749238 [0,2,0,0,0,0|1,0,0]=3 7025 B14R0.2224 CSCCCNC(=O)NCCCC(C)C 512a_100000749238_200000737386 [0,2,0,0,0,0|1,0,0]=3 7026 B14R0.2224 CSCCCNC(=O)NCCCC(C)C 512a_200000737386_100000749238 [0,2,0,0,0,0|1,0,0]=3 7027 B14R0.2224 CSCCCNC(=O)NCCCN(C)C 2708a_100000749238_102531767803 [0,2,0,0,0,0|2,0,0]=4 7028 B14R0.2224 CSCCCNC(=O)NCCCN(C)C 273464a_100000749238_102531767803 [0,2,0,0,0,0|2,0,0]=4 7029 B14R0.2224 CSCCCNC(=O)NCCCN(C)C 273464a_102531767803_100000749238 [0,2,0,0,0,0|2,0,0]=4 7030 B14R0.2224 CSCCCNC(=O)NCCCN(C)C 512a_100000749238_102531767803 [0,2,0,0,0,0|2,0,0]=4 7031 B14R0.2224 CSCCCNC(=O)NCCCN(C)C 512a_102531767803_100000749238 [0,2,0,0,0,0|2,0,0]=4 7032 B14R0.2224 CSCCCNC(=O)NCCCS(=O)C 2708a_100000749238_200000753449 [0,2,0,0,0,0|2,0,0]=4 7033 B14R0.2224 CSCCCNC(=O)NCCCS(=O)C 2708a_200000753449_100000749238 [0,2,0,0,0,0|2,0,0]=4 7034 B14R0.2224 CSCCCNC(=O)NCCCS(=O)C 273464a_100000749238_200000753449 [0,2,0,0,0,0|2,0,0]=4 7035 B14R0.2224 CSCCCNC(=O)NCCCS(=O)C 273464a_200000753449_100000749238 [0,2,0,0,0,0|2,0,0]=4 7036 B14R0.2224 CSCCCNC(=O)NCCCS(=O)C 512a_100000749238_200000753449 [0,2,0,0,0,0|2,0,0]=4 7037 B14R0.2224 CSCCCNC(=O)NCCCS(=O)C 512a_200000753449_100000749238 [0,2,0,0,0,0|2,0,0]=4 7038 B14R0.2224 CSCCCNC(=O)NCCOC(C)C 2708a_100000701111_100000749238 [0,2,0,0,0,0|2,0,0]=4 7039 B14R0.2224 CSCCCNC(=O)NCCOC(C)C 2708a_100000749238_100000701111 [0,2,0,0,0,0|2,0,0]=4 7040 B14R0.2224 CSCCCNC(=O)NCCOC(C)C 273464a_100000701111_100000749238 [0,2,0,0,0,0|2,0,0]=4 7041 B14R0.2224 CSCCCNC(=O)NCCOC(C)C 273464a_100000749238_100000701111 [0,2,0,0,0,0|2,0,0]=4 7042 B14R0.2224 CSCCCNC(=O)NCCOC(C)C 512a_100000701111_100000749238 [0,2,0,0,0,0|2,0,0]=4 7043 B14R0.2224 CSCCCNC(=O)NCCOC(C)C 512a_100000749238_100000701111 [0,2,0,0,0,0|2,0,0]=4 7044 B14R0.2224 CSCCCNC(=O)NCCSC(C)C 2708a_100000731138_100000749238 [0,2,0,0,0,0|2,0,0]=4 7045 B14R0.2224 CSCCCNC(=O)NCCSC(C)C 2708a_100000749238_100000731138 [0,2,0,0,0,0|2,0,0]=4 7046 B14R0.2224 CSCCCNC(=O)NCCSC(C)C 273464a_100000731138_100000749238 [0,2,0,0,0,0|2,0,0]=4 7047 B14R0.2224 CSCCCNC(=O)NCCSC(C)C 273464a_100000749238_100000731138 [0,2,0,0,0,0|2,0,0]=4 7048 B14R0.2224 CSCCCNC(=O)NCCSC(C)C 512a_100000731138_100000749238 [0,2,0,0,0,0|2,0,0]=4 7049 B14R0.2224 CSCCCNC(=O)NCCSC(C)C 512a_100000749238_100000731138 [0,2,0,0,0,0|2,0,0]=4 7050 B14R0.2256 CCCCCC(=O)C(C)OCCOCC 1458a_100000743585_100000210326 [0,2,0,0,0,0|2,0,0]=4 7051 B14R0.2256 CCCCCC(=O)N(C)CCCCCO 240690a_100000722520_100000212188 [0,2,0,0,0,0|2,0,0]=4 7052 B14R0.2256 CCCCCC(C)C(=O)CCCCCF 1458a_100011215998_100000729378 [0,2,0,0,0,0|2,0,0]=4 7053 B14R0.2256 CCCCCC(C)C(=O)CCCCCO 1458a_100011215998_100000746330 [0,2,0,0,0,0|2,0,0]=4 7054 B14R0.2256 CCCCCC(C)C(=O)CCCCCO 1458a_100102619762_200011218191 [0,2,0,0,0,0|2,0,0]=4 7055 B14R0.2256 CCCCCC(C)C(=O)CCCCOC 1458a_100011215998_100000755781 [0,2,0,0,0,0|1,1,0]=4 7056 B14R0.2256 CCCCCC(C)C(=O)CCCOCC 1458a_100011215998_100012232248 [0,2,0,0,0,0|2,0,0]=4 7057 B14R0.2256 CCCCCC(C)C(=O)CCOCCC 1458a_100011215998_100011215938 [0,2,0,0,0,0|2,0,0]=4 7058 B14R0.2256 CCCCCC(C)C(=O)COCCCC 1458a_100000757543_200011218191 [0,2,0,0,0,0|2,0,0]=4 7059 B14R0.2256 CCCCCC(C)C(=O)COCCCC 1458a_100011215998_100011995733 [0,2,0,0,0,0|2,0,0]=4 7060 B14R0.2256 CCCCCC(C)C(=O)CSCCCC 1458a_100000191162_200011218191 [0,2,0,0,0,0|2,0,0]=4 7061 B14R0.2256 CCCCCC(C)C(=O)NCCCOC 1626a_100150723488_100011215998 [0,2,0,0,0,0|1,1,0]=4 7062 B14R0.2256 CCCCCC(C)C(=O)NCCCOC 240690a_100150723488_100011215998 [0,2,0,0,0,0|1,1,0]=4 7063 B14R0.2256 CCCCCC(C)C(=O)NCCCOC 527a_100150723488_100011215998 [0,2,0,0,0,0|1,1,0]=4 7064 B14R0.2256 CCCCCC(C)C(=O)NCCCSC 11a_100000749238_100011215998 [0,2,0,0,0,0|1,0,0]=3 7065 B14R0.2256 CCCCCC(C)C(=O)NCCCSC 1626a_100000749238_100011215998 [0,2,0,0,0,0|1,0,0]=3 7066 B14R0.2256 CCCCCC(C)C(=O)NCCCSC 240690a_100000749238_100011215998 [0,2,0,0,0,0|1,0,0]=3 7067 B14R0.2256 CCCCCC(C)C(=O)NCCCSC 527a_100000749238_100011215998 [0,2,0,0,0,0|1,0,0]=3 7068 B14R0.2256 CCCCCCC(=O)C(C)CCCCC 1458a_100011215998_100000210757 [0,2,0,0,0,0|2,0,0]=4 7069 B14R0.2256 CCCCCCC(=O)C(C)CCCCC 1458a_100102632555_200011218191 [0,2,0,0,0,0|2,0,0]=4 7070 B14R0.2256 CCCCCCC(=O)C(C)SCCCC 1458a_100000191163_100000210757 [0,2,0,0,0,0|2,0,0]=4 7071 B14R0.2256 CCCCCCC(=O)N(C)CCCCC 11a_100000223495_100102632555 [0,2,0,0,0,0|2,0,0]=4 7072 B14R0.2256 CCCCCCC(=O)N(C)CCCCC 1626a_100000223495_100102632555 [0,2,0,0,0,0|2,0,0]=4 7073 B14R0.2256 CCCCCCC(=O)N(C)CCCCC 240690a_100000223495_100102632555 [0,2,0,0,0,0|2,0,0]=4 7074 B14R0.2256 CCCCCCC(=O)N(C)CCCCC 527a_100000223495_100102632555 [0,2,0,0,0,0|2,0,0]=4 7075 B14R0.2256 CCCCCCC(=O)N(C)CCCOC 11a_100000224831_100102632555 [0,2,0,0,0,0|1,1,0]=4 7076 B14R0.2256 CCCCCCC(=O)N(C)CCCOC 1626a_100000224831_100102632555 [0,2,0,0,0,0|1,1,0]=4 7077 B14R0.2256 CCCCCCC(=O)N(C)CCCOC 240690a_100000224831_100102632555 [0,2,0,0,0,0|1,1,0]=4 7078 B14R0.2256 CCCCCCC(=O)N(C)CCCOC 527a_100000224831_100102632555 [0,2,0,0,0,0|1,1,0]=4 7079 B14R0.2256 CCCCCCC(C)C(=O)CCCCC 1458a_100000212188_100011215978 [0,2,0,0,0,0|2,0,0]=4 7080 B14R0.2256 CCCCCCC(O)C(=O)CCCCC 1458a_100011215828_100000210326 [0,2,0,0,0,0|2,0,0]=4 7081 B14R0.2256 CCCCCCN(C)C(=O)CCCCC 11a_106256046315_100000212188 [0,2,0,0,0,0|2,0,0]=4 7082 B14R0.2256 CCCCCCN(C)C(=O)CCCCC 1626a_106256046315_100000212188 [0,2,0,0,0,0|2,0,0]=4 7083 B14R0.2256 CCCCCCN(C)C(=O)CCCCC 240690a_106256046315_100000212188 [0,2,0,0,0,0|2,0,0]=4 7084 B14R0.2256 CCCCCCN(C)C(=O)CCCCC 527a_106256046315_100000212188 [0,2,0,0,0,0|2,0,0]=4 7085 B14R0.2256 CCCCCN(C)C(=O)CCCCCO 240690a_100000223495_100102619762 [0,2,0,0,0,0|2,0,0]=4 7086 B14R0.2256 CCCCCN(C)C(=O)COCCCC 11a_100000223495_100000757543 [0,2,0,0,0,0|2,0,0]=4 7087 B14R0.2256 CCCCCN(C)C(=O)COCCCC 1626a_100000223495_100000757543 [0,2,0,0,0,0|2,0,0]=4 7088 B14R0.2256 CCCCCN(C)C(=O)COCCCC 240690a_100000223495_100000757543 [0,2,0,0,0,0|2,0,0]=4 7089 B14R0.2256 CCCCCN(C)C(=O)COCCCC 527a_100000223495_100000757543 [0,2,0,0,0,0|2,0,0]=4 7090 B14R0.2256 CCCCCN(C)C(=O)CSCCCC 11a_100000223495_100000191162 [0,2,0,0,0,0|2,0,0]=4 7091 B14R0.2256 CCCCCN(C)C(=O)CSCCCC 1626a_100000223495_100000191162 [0,2,0,0,0,0|2,0,0]=4 7092 B14R0.2256 CCCCCN(C)C(=O)CSCCCC 240690a_100000223495_100000191162 [0,2,0,0,0,0|2,0,0]=4 7093 B14R0.2256 CCCCCN(C)C(=O)CSCCCC 527a_100000223495_100000191162 [0,2,0,0,0,0|2,0,0]=4 7094 B14R0.2256 CCCCCN(C)C(=O)NCCCOC 2708a_100150723488_100000223495 [0,2,0,0,0,0|1,1,0]=4 7095 B14R0.2256 CCCCCN(C)C(=O)NCCCOC 273464a_100150723488_100000223495 [0,2,0,0,0,0|1,1,0]=4 7096 B14R0.2256 CCCCCN(C)C(=O)NCCCSC 2708a_100000749238_100000223495 [0,2,0,0,0,0|1,0,0]=3 7097 B14R0.2256 CCCCCN(C)C(=O)NCCCSC 273464a_100000749238_100000223495 [0,2,0,0,0,0|1,0,0]=3 7098 B14R0.2256 CCCCCNC(=O)C(C)CCCCC 11a_100000209983_100011215998 [0,2,0,0,0,0|2,0,0]=4 7099 B14R0.2256 CCCCCNC(=O)C(C)CCCCC 1626a_100000209983_100011215998 [0,2,0,0,0,0|2,0,0]=4 7100 B14R0.2256 CCCCCNC(=O)C(C)CCCCC 240690a_100000209983_100011215998 [0,2,0,0,0,0|2,0,0]=4 7101 B14R0.2256 CCCCCNC(=O)C(C)CCCCC 527a_100000209983_100011215998 [0,2,0,0,0,0|2,0,0]=4 7102 B14R0.2256 CCCCCNC(=O)C(C)NCCCC 2230a_100000102301_100000735910 [0,2,0,0,0,0|2,0,0]=4 7103 B14R0.2256 CCCCCNC(=O)C(C)NCCCC 7a_106832991798_100000735910 [0,2,0,0,0,0|2,0,0]=4 7104 B14R0.2256 CCCCCNC(=O)C(C)NCCSC 2230a_100020590264_100000735910 [0,2,0,0,0,0|2,0,0]=4 7105 B14R0.2256 CCCCCNC(=O)C(C)OCCCC 7a_100000210227_100000735910 [0,2,0,0,0,0|2,0,0]=4 7106 B14R0.2256 CCCCCNC(=O)C(C)OCCSC 7a_100000230434_100000735910 [0,2,0,0,0,0|2,0,0]=4 7107 B14R0.2256 CCCCCNC(=O)C(C)SCCCC 11a_100000209983_100000191163 [0,2,0,0,0,0|2,0,0]=4 7108 B14R0.2256 CCCCCNC(=O)C(C)SCCCC 1626a_100000209983_100000191163 [0,2,0,0,0,0|2,0,0]=4 7109 B14R0.2256 CCCCCNC(=O)C(C)SCCCC 240690a_100000209983_100000191163 [0,2,0,0,0,0|2,0,0]=4 7110 B14R0.2256 CCCCCNC(=O)C(C)SCCCC 527a_100000209983_100000191163 [0,2,0,0,0,0|2,0,0]=4 7111 B14R0.2256 CCCCCNC(=O)C(C)SCCCC 62a_100000210211_100000735910 [0,2,0,0,0,0|2,0,0]=4 7112 B14R0.2256 CCCCCNC(=O)C(C)SCCCC 62a_100000735910_100000210210 [0,2,0,0,0,0|2,0,0]=4 7113 B14R0.2256 CCCCCNC(=O)C(C)SCCSC 62a_100000212216_100000735910 [0,2,0,0,0,0|2,0,0]=4 7114 B14R0.2256 CCCCCNC(=O)C(C)SCCSC 62a_100000735910_100000751147 [0,2,0,0,0,0|2,0,0]=4 7115 B14R0.2256 CCCCCNC(=O)N(C)CCCCC 2708a_100000209983_100000223495 [0,2,0,0,0,0|2,0,0]=4 7116 B14R0.2256 CCCCCNC(=O)N(C)CCCCC 273464a_100000209983_100000223495 [0,2,0,0,0,0|2,0,0]=4 7117 B14R0.2256 CCCCCNC(=O)N(C)CCCOC 2708a_100000209983_100000224831 [0,2,0,0,0,0|1,1,0]=4 7118 B14R0.2256 CCCCCNC(=O)N(C)CCCOC 273464a_100000209983_100000224831 [0,2,0,0,0,0|1,1,0]=4 7119 B14R0.2256 CCCCCOC(C)C(=O)NCCCC 34a_100000210253_100000735917 [0,2,0,0,0,0|2,0,0]=4 7120 B14R0.2256 CCCCCOC(C)C(=O)NCCCC 7a_100000210253_100000735917 [0,2,0,0,0,0|2,0,0]=4 7121 B14R0.2256 CCCCCOC(C)C(=O)OCCCC 34a_100000038973_100000718602 [0,2,0,0,0,0|2,0,0]=4 7122 B14R0.2256 CCCCCOC(C)C(=O)OCCCC 34a_100000210253_100000759602 [0,2,0,0,0,0|2,0,0]=4 7123 B14R0.2256 CCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210326 [0,2,0,0,0,0|2,0,0]=4 7124 B14R0.2256 CCCCCOC(C)C(=O)OCCCC 7a_100000210253_100000759602 [0,2,0,0,0,0|2,0,0]=4 7125 B14R0.2256 CCCCNC(=O)C(C)NCCCSC 2230a_100000749238_100000735917 [0,2,0,0,0,0|2,0,0]=4 7126 B14R0.2256 CCCCNC(=O)C(C)OCCCNC 34a_100000213112_100000735917 [0,2,0,0,0,0|2,0,0]=4 7127 B14R0.2256 CCCCNC(=O)C(C)OCCCOC 34a_100000740835_100000735917 [0,2,0,0,0,0|1,1,0]=4 7128 B14R0.2256 CCCCNC(=O)C(C)OCCCSC 34a_100000690336_100000735917 [0,2,0,0,0,0|1,0,0]=3 7129 B14R0.2256 CCCCNC(=O)C(C)OCCCSC 7a_100000690336_100000735917 [0,2,0,0,0,0|1,0,0]=3 7130 B14R0.2256 CCCCNC(C)C(=O)NCCCOC 2230a_100000102301_100000735919 [0,2,0,0,0,0|1,1,0]=4 7131 B14R0.2256 CCCCNC(C)C(=O)NCCCOC 7a_106832991798_100000735919 [0,2,0,0,0,0|1,1,0]=4 7132 B14R0.2256 CCCCOC(=O)C(C)NCCCSC 2230a_100000749238_100000759602 [0,2,0,0,0,0|2,0,0]=4 7133 B14R0.2256 CCCCOC(=O)C(C)OCCCNC 34a_100000213112_100000759602 [0,2,0,0,0,0|2,0,0]=4 7134 B14R0.2256 CCCCOC(=O)C(C)OCCCOC 34a_100000038973_100000740836 [0,2,0,0,0,0|1,1,0]=4 7135 B14R0.2256 CCCCOC(=O)C(C)OCCCOC 34a_100000740835_100000759602 [0,2,0,0,0,0|1,1,0]=4 7136 B14R0.2256 CCCCOC(=O)C(C)OCCCOC 7a_100000038973_100000740836 [0,2,0,0,0,0|1,1,0]=4 7137 B14R0.2256 CCCCOC(=O)C(C)OCCCSC 34a_100000690336_100000759602 [0,2,0,0,0,0|1,0,0]=3 7138 B14R0.2256 CCCCOC(=O)C(C)OCCCSC 7a_100000690336_100000759602 [0,2,0,0,0,0|1,0,0]=3 7139 B14R0.2256 CCCCOC(C)C(=O)NCCCOC 7a_100000210227_100000735919 [0,2,0,0,0,0|1,1,0]=4 7140 B14R0.2256 CCCCOCC(=O)N(C)CCCOC 11a_100000224831_100000757543 [0,2,0,0,0,0|1,1,0]=4 7141 B14R0.2256 CCCCOCC(=O)N(C)CCCOC 1626a_100000224831_100000757543 [0,2,0,0,0,0|1,1,0]=4 7142 B14R0.2256 CCCCOCC(=O)N(C)CCCOC 240690a_100000224831_100000757543 [0,2,0,0,0,0|1,1,0]=4 7143 B14R0.2256 CCCCOCC(=O)N(C)CCCOC 527a_100000224831_100000757543 [0,2,0,0,0,0|1,1,0]=4 7144 B14R0.2256 CCCCSC(C)C(=O)CCCCOC 1458a_100000191163_100000755781 [0,2,0,0,0,0|1,1,0]=4 7145 B14R0.2256 CCCCSC(C)C(=O)NCCCOC 1626a_100150723488_100000191163 [0,2,0,0,0,0|1,1,0]=4 7146 B14R0.2256 CCCCSC(C)C(=O)NCCCOC 240690a_100150723488_100000191163 [0,2,0,0,0,0|1,1,0]=4 7147 B14R0.2256 CCCCSC(C)C(=O)NCCCOC 527a_100150723488_100000191163 [0,2,0,0,0,0|1,1,0]=4 7148 B14R0.2256 CCCCSC(C)C(=O)NCCCOC 62a_100000210211_100000735919 [0,2,0,0,0,0|1,1,0]=4 7149 B14R0.2256 CCCCSC(C)C(=O)NCCCOC 62a_100000735919_100000210210 [0,2,0,0,0,0|1,1,0]=4 7150 B14R0.2256 CCCCSC(C)C(=O)NCCCSC 11a_100000749238_100000191163 [0,2,0,0,0,0|1,0,0]=3 7151 B14R0.2256 CCCCSC(C)C(=O)NCCCSC 1626a_100000749238_100000191163 [0,2,0,0,0,0|1,0,0]=3 7152 B14R0.2256 CCCCSC(C)C(=O)NCCCSC 240690a_100000749238_100000191163 [0,2,0,0,0,0|1,0,0]=3 7153 B14R0.2256 CCCCSC(C)C(=O)NCCCSC 527a_100000749238_100000191163 [0,2,0,0,0,0|1,0,0]=3 7154 B14R0.2256 CCCCSCC(=O)N(C)CCCOC 11a_100000224831_100000191162 [0,2,0,0,0,0|1,1,0]=4 7155 B14R0.2256 CCCCSCC(=O)N(C)CCCOC 1626a_100000224831_100000191162 [0,2,0,0,0,0|1,1,0]=4 7156 B14R0.2256 CCCCSCC(=O)N(C)CCCOC 240690a_100000224831_100000191162 [0,2,0,0,0,0|1,1,0]=4 7157 B14R0.2256 CCCCSCC(=O)N(C)CCCOC 527a_100000224831_100000191162 [0,2,0,0,0,0|1,1,0]=4 7158 B14R0.2256 COCCCN(C)C(=O)CCCCCO 240690a_100000224831_100102619762 [0,2,0,0,0,0|1,1,0]=4 7159 B14R0.2256 COCCCN(C)C(=O)NCCCSC 2708a_100000749238_100000224831 [0,2,0,0,0,0|2,0,0]=4 7160 B14R0.2256 COCCCN(C)C(=O)NCCCSC 273464a_100000749238_100000224831 [0,2,0,0,0,0|2,0,0]=4 7161 B14R0.2256 COCCNC(=O)C(C)OCCCSC 7a_100000690336_100000230274 [0,2,0,0,0,0|2,0,0]=4 7162 B14R0.2256 CSCCCNC(=O)N(C)CCCCO 2708a_100000749238_100000717598 [0,2,0,0,0,0|2,0,0]=4 7163 B14R0.2256 CSCCCNC(=O)N(C)CCCCO 273464a_100000749238_100000717598 [0,2,0,0,0,0|2,0,0]=4 7164 B14R0.46 CCCCC(C)C(=O)CCCCC(=O)C 1458a_100000725509_100000735457 [0,2,0,0,0,0|2,0,0]=4 7165 B14R0.46 CCCCC(C)C(=O)CCCCC(C)C 1458a_100000725509_100011216152 [0,2,0,0,0,0|2,0,0]=4 7166 B14R0.46 CCCCC(C)C(=O)CCCCC(C)C 1458a_100011933920_200011215066 [0,2,0,0,0,0|2,0,0]=4 7167 B14R0.46 CCCCC(C)C(=O)NCCCC(C)C 11a_200000737386_100000725509 [0,2,0,0,0,0|2,0,0]=4 7168 B14R0.46 CCCCC(C)C(=O)NCCCC(C)C 1626a_200000737386_100000725509 [0,2,0,0,0,0|2,0,0]=4 7169 B14R0.46 CCCCC(C)C(=O)NCCCC(C)C 240690a_200000737386_100000725509 [0,2,0,0,0,0|2,0,0]=4 7170 B14R0.46 CCCCC(C)C(=O)NCCCC(C)C 527a_200000737386_100000725509 [0,2,0,0,0,0|2,0,0]=4 7171 B14R0.46 CCCCC(C)C(=O)NCCCN(C)C 240690a_102531767803_100000725509 [0,2,0,0,0,0|2,0,0]=4 7172 B14R0.46 CCCCC(C)C(=O)NCCCN(C)C 527a_102531767803_100000725509 [0,2,0,0,0,0|2,0,0]=4 7173 B14R0.46 CCCCC(C)C(=O)NCCCS(=O)C 11a_200000753449_100000725509 [0,2,0,0,0,0|1,0,1]=4 7174 B14R0.46 CCCCC(C)C(=O)NCCCS(=O)C 240690a_200000753449_100000725509 [0,2,0,0,0,0|1,0,1]=4 7175 B14R0.46 CCCCC(C)C(=O)NCCCS(=O)C 527a_200000753449_100000725509 [0,2,0,0,0,0|1,0,1]=4 7176 B14R0.46 CCCCC(O)C(=O)CCCCC(=O)C 1458a_100000720857_100000735457 [0,2,0,0,0,0|2,0,0]=4 7177 B14R0.46 CCCCC(O)C(=O)CCCCC(C)C 1458a_100000720857_100011216152 [0,2,0,0,0,0|2,0,0]=4 7178 B14R0.46 CCCCC(O)C(=O)NCCCC(C)C 240690a_200000737386_100000720857 [0,2,0,0,0,0|2,0,0]=4 7179 B14R0.46 CCCCC(O)C(=O)NCCCC(C)C 527a_200000737386_100000720857 [0,2,0,0,0,0|2,0,0]=4 7180 B14R0.46 CCCCC(O)C(=O)NCCCN(C)C 240690a_102531767803_100000720857 [0,2,0,0,0,0|2,0,0]=4 7181 B14R0.46 CCCCC(O)C(=O)NCCCN(C)C 527a_102531767803_100000720857 [0,2,0,0,0,0|2,0,0]=4 7182 B14R0.46 CCCCC(O)C(=O)NCCCS(=O)C 240690a_200000753449_100000720857 [0,2,0,0,0,0|1,0,1]=4 7183 B14R0.46 CCCCC(O)C(=O)NCCCS(=O)C 527a_200000753449_100000720857 [0,2,0,0,0,0|1,0,1]=4 7184 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000212188_100000204269 [0,2,0,0,0,0|1,1,0]=4 7185 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210326 [0,2,0,0,0,0|1,1,0]=4 7186 B14R0.226 CCCCCC(=O)CNCCC(C)CC 2230a_100020591266_200012276598 [0,2,0,0,0,0|2,0,0]=4 7187 B14R0.226 CCCCCC(=O)COCCC(=O)NC 34a_100000754576_200012276598 [0,2,0,0,0,0|1,0,1]=4 7188 B14R0.226 CCCCCC(=O)COCCC(C)CC 7a_100011215188_200012276598 [0,2,0,0,0,0|1,0,0]=3 7189 B14R0.226 CCCCCC(=O)COCCC(C)OC 7a_100000764861_200012276598 [0,2,0,0,0,0|0,1,0]=3 7190 B14R0.226 CCCCCC(=O)NCCCC(=O)NC 11a_100000740002_100000212188 [0,2,0,0,0,0|2,0,0]=4 7191 B14R0.226 CCCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000212188 [0,2,0,0,0,0|2,0,0]=4 7192 B14R0.226 CCCCCC(=O)NCCCC(=O)NC 527a_100000740002_100000212188 [0,2,0,0,0,0|2,0,0]=4 7193 B14R0.226 CCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000212188 [0,2,0,0,0,0|1,1,0]=4 7194 B14R0.226 CCCCCC(=O)NN=CCC(C)SC 4a_100000189784_100000036020 [0,2,0,0,0,0|1,0,1]=4 7195 B14R0.226 CCCCNC(=O)COCCC(C)CC 7a_100011215188_100000182744 [0,2,0,0,0,0|2,0,0]=4 7196 B14R0.226 CCCCNC(=O)COCCC(C)OC 7a_100000764861_100000182744 [0,2,0,0,0,0|1,1,0]=4 7197 B14R0.226 CCCCOC(=O)COCCC(C)CC 7a_100011215188_100000211628 [0,2,0,0,0,0|2,0,0]=4 7198 B14R0.226 CCCCOC(=O)COCCC(C)OC 7a_100000764861_100000211628 [0,2,0,0,0,0|1,1,0]=4 7199 B14R0.227 CCCCCC(=O)NCC(O)CN(C)C 240690a_100000737402_100000212188 [0,2,0,0,0,0|2,0,0]=4 7200 B14R0.227 CCCCCC(=O)NCC(O)CN(C)C 527a_100000737402_100000212188 [0,2,0,0,0,0|2,0,0]=4 7201 B14R0.237 CCCCCC(=O)NCCCS(=O)(=O)C 11a_100000742409_100000212188 [0,2,0,0,0,0|1,0,1]=4 7202 B14R0.237 CCCCCC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100000212188 [0,2,0,0,0,0|1,0,1]=4 7203 B14R0.237 CCCCCC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100000212188 [0,2,0,0,0,0|1,0,1]=4 7204 B14R0.237 CCCCCC(=O)NCCCS(=O)(=O)C 527a_100000742409_100000212188 [0,2,0,0,0,0|1,0,1]=4 7205 B14R0.237 CCCCCC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100000212188 [0,2,0,0,0,0|2,0,0]=4 7206 B14R0.237 CCCCCC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100000212188 [0,2,0,0,0,0|2,0,0]=4 7207 B14R0.237 CCCCCC(=O)NCCC[Si](C)(C)C 527a_100000725946_100000212188 [0,2,0,0,0,0|2,0,0]=4 7208 B14R0.1749 CCC(C)CCC(=O)CCCCC(=O)C 1458a_100000701222_100000735457 [0,2,0,0,0,0|2,0,0]=4 7209 B14R0.1749 CCC(C)CCC(=O)CCCCC(C)C 1458a_100000701222_100011216152 [0,2,0,0,0,0|2,0,0]=4 7210 B14R0.1749 CCC(C)CCC(=O)NCCCC(C)C 11a_200000737386_100000701222 [0,2,0,0,0,0|2,0,0]=4 7211 B14R0.1749 CCC(C)CCC(=O)NCCCC(C)C 1626a_200000737386_100000701222 [0,2,0,0,0,0|2,0,0]=4 7212 B14R0.1749 CCC(C)CCC(=O)NCCCC(C)C 240690a_200000737386_100000701222 [0,2,0,0,0,0|2,0,0]=4 7213 B14R0.1749 CCC(C)CCC(=O)NCCCC(C)C 527a_200000737386_100000701222 [0,2,0,0,0,0|2,0,0]=4 7214 B14R0.1749 CCC(C)CCC(=O)NCCCN(C)C 240690a_102531767803_100000701222 [0,2,0,0,0,0|2,0,0]=4 7215 B14R0.1749 CCC(C)CCC(=O)NCCCN(C)C 527a_102531767803_100000701222 [0,2,0,0,0,0|2,0,0]=4 7216 B14R0.1749 CCC(C)CCC(=O)NCCCS(=O)C 11a_200000753449_100000701222 [0,2,0,0,0,0|1,0,1]=4 7217 B14R0.1749 CCC(C)CCC(=O)NCCCS(=O)C 240690a_200000753449_100000701222 [0,2,0,0,0,0|1,0,1]=4 7218 B14R0.1749 CCC(C)CCC(=O)NCCCS(=O)C 527a_200000753449_100000701222 [0,2,0,0,0,0|1,0,1]=4 7219 B14R0.1749 CCC(O)CCC(=O)NCCCC(C)C 1626a_200000737386_203496584001 [0,2,0,0,0,0|2,0,0]=4 7220 B14R0.1749 CCC(O)CCC(=O)NCCCC(C)C 240690a_200000737386_203496584001 [0,2,0,0,0,0|2,0,0]=4 7221 B14R0.1749 CCC(O)CCC(=O)NCCCN(C)C 240690a_102531767803_203496584001 [0,2,0,0,0,0|2,0,0]=4 7222 B14R0.1749 CCC(O)CCC(=O)NCCCS(=O)C 240690a_200000753449_203496584001 [0,2,0,0,0,0|1,0,1]=4 7223 B14R0.2430 CCCCCC(=O)NC(C)CCC(C)C 11a_100138410893_100000212188 [0,2,0,0,0,0|2,0,0]=4 7224 B14R0.2430 CCCCCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000212188 [0,2,0,0,0,0|2,0,0]=4 7225 B14R0.2430 CCCCCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000212188 [0,2,0,0,0,0|2,0,0]=4 7226 B14R0.2430 CCCCCC(=O)NC(C)CCC(C)C 527a_100138410893_100000212188 [0,2,0,0,0,0|2,0,0]=4 7227 B14R0.2863 CCCC(C)CC(=O)CCCCC(=O)C 1458a_100000748435_100000735457 [0,2,0,0,0,0|2,0,0]=4 7228 B14R0.2863 CCCC(C)CC(=O)CCCCC(C)C 1458a_100000748435_100011216152 [0,2,0,0,0,0|2,0,0]=4 7229 B14R0.2863 CCCC(C)CC(=O)CCCCC(C)C 1458a_100011933920_100011216630 [0,2,0,0,0,0|2,0,0]=4 7230 B14R0.2863 CCCC(C)CC(=O)NCCCC(C)C 11a_200000737386_100000748435 [0,2,0,0,0,0|2,0,0]=4 7231 B14R0.2863 CCCC(C)CC(=O)NCCCC(C)C 1626a_200000737386_100000748435 [0,2,0,0,0,0|2,0,0]=4 7232 B14R0.2863 CCCC(C)CC(=O)NCCCC(C)C 240690a_200000737386_100000748435 [0,2,0,0,0,0|2,0,0]=4 7233 B14R0.2863 CCCC(C)CC(=O)NCCCC(C)C 527a_200000737386_100000748435 [0,2,0,0,0,0|2,0,0]=4 7234 B14R0.2863 CCCC(C)CC(=O)NCCCN(C)C 240690a_102531767803_100000748435 [0,2,0,0,0,0|2,0,0]=4 7235 B14R0.2863 CCCC(C)CC(=O)NCCCN(C)C 527a_102531767803_100000748435 [0,2,0,0,0,0|2,0,0]=4 7236 B14R0.2863 CCCC(C)CC(=O)NCCCS(=O)C 11a_200000753449_100000748435 [0,2,0,0,0,0|1,0,1]=4 7237 B14R0.2863 CCCC(C)CC(=O)NCCCS(=O)C 240690a_200000753449_100000748435 [0,2,0,0,0,0|1,0,1]=4 7238 B14R0.2863 CCCC(C)CC(=O)NCCCS(=O)C 527a_200000753449_100000748435 [0,2,0,0,0,0|1,0,1]=4 7239 B14R0.33 CCCC(C)CC(=O)NCC(O)COC 240690a_100000756049_100000748435 [0,2,0,0,0,0|1,1,0]=4 7240 B14R0.33 CCCC(C)CC(=O)NCC(O)COC 527a_100000756049_100000748435 [0,2,0,0,0,0|1,1,0]=4 7241 B14R0.232 CCCCCC(=O)CC(=O)C(C)CSC 1458a_100000753918_200012276598 [0,2,0,0,0,0|1,0,1]=4 7242 B14R0.529 C=CCCC(C)OCC(=O)CCCCC 34a_100000765329_200012276598 [0,2,0,0,0,0|1,0,1]=4 7243 B14R0.529 C=CCCC(C)OCC(=O)CCCCC 7a_100000765329_200012276598 [0,2,0,0,0,0|1,0,1]=4 7244 B14R0.529 CCCCCC(=O)CCC(C)CCCC 1458a_100000033779_100000210326 [0,2,0,0,0,0|2,0,0]=4 7245 B14R0.529 CCCCCC(=O)CCN(C)CCOC 1458a_200103286627_100000210326 [0,2,0,0,0,0|1,1,0]=4 7246 B14R0.529 CCCCCC(=O)CNC(C)CCCC 2230a_100000126638_200012276598 [0,2,0,0,0,0|2,0,0]=4 7247 B14R0.529 CCCCCC(=O)COC(C)CCCC 34a_100000687866_200012276598 [0,2,0,0,0,0|1,0,0]=3 7248 B14R0.529 CCCCCC(=O)COC(C)CCCC 7a_100000687866_200012276598 [0,2,0,0,0,0|1,0,0]=3 7249 B14R0.529 CCCCCC(=O)COC(C)CCCCl 34a_200000718107_200012276598 [0,2,0,0,0,0|2,0,0]=4 7250 B14R0.529 CCCCCC(=O)COC(C)CCCCl 7a_200000718107_200012276598 [0,2,0,0,0,0|2,0,0]=4 7251 B14R0.529 CCCCCC(=O)COC(C)COCC 34a_100000718985_200012276598 [0,2,0,0,0,0|2,0,0]=4 7252 B14R0.529 CCCCCC(=O)COC(C)COCC 7a_100000718985_200012276598 [0,2,0,0,0,0|2,0,0]=4 7253 B14R0.529 CCCCCC(=O)CSC(C)CCCC 62a_200011215066_200012276598 [0,2,0,0,0,0|1,1,0]=4 7254 B14R0.529 CCCCCC(=O)CSC(C)CCCC 62a_200012276598_200011215066 [0,2,0,0,0,0|1,1,0]=4 7255 B14R0.529 CCCCCC(=O)NCC(C)OCCC 11a_100015185124_100000212188 [0,2,0,0,0,0|2,0,0]=4 7256 B14R0.529 CCCCCC(=O)NCC(C)OCCC 1626a_100015185124_100000212188 [0,2,0,0,0,0|2,0,0]=4 7257 B14R0.529 CCCCCC(=O)NCC(C)OCCC 240690a_100015185124_100000212188 [0,2,0,0,0,0|2,0,0]=4 7258 B14R0.529 CCCCCC(=O)NCC(C)OCCC 527a_100015185124_100000212188 [0,2,0,0,0,0|2,0,0]=4 7259 B14R0.529 CCCCCC(=O)NCC(O)COCC 240690a_102515437182_100000212188 [0,2,0,0,0,0|1,1,0]=4 7260 B14R0.529 CCCCCC(=O)NCC(O)COCC 527a_102515437182_100000212188 [0,2,0,0,0,0|1,1,0]=4 7261 B14R0.529 CCCCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000212188 [0,2,0,0,0,0|2,0,0]=4 7262 B14R0.529 CCCCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000212188 [0,2,0,0,0,0|2,0,0]=4 7263 B14R0.529 CCCCCC(=O)NN=C(C)CCSC 4a_100000189784_100011217047 [0,2,0,0,0,0|1,0,1]=4 7264 B14R0.529 CCCCCC(=O)NNC(=O)CCSC 22a_100000189784_100000174002 [0,2,0,0,0,0|1,0,1]=4 7265 B14R0.529 CCCCCC(C)OC[C@@H](N)CCSC 34a_100011827619_200011218191 [0,2,0,0,0,0|1,0,1]=4 7266 B14R0.529 CCCCNC(=O)COC(C)CCCC 34a_100000687866_100000182744 [0,2,0,0,0,0|2,0,0]=4 7267 B14R0.529 CCCCNC(=O)COC(C)CCCC 7a_100000687866_100000182744 [0,2,0,0,0,0|2,0,0]=4 7268 B14R0.529 CCCCOC(=O)COC(C)CCCC 34a_100000687866_100000211628 [0,2,0,0,0,0|2,0,0]=4 7269 B14R0.529 CCCCOC(=O)COC(C)CCCC 7a_100000687866_100000211628 [0,2,0,0,0,0|2,0,0]=4 7270 B14R0.597 CCCCC(C)C(=O)NCC(O)COC 240690a_100000756049_100000725509 [0,2,0,0,0,0|1,1,0]=4 7271 B14R0.597 CCCCC(C)C(=O)NCC(O)COC 527a_100000756049_100000725509 [0,2,0,0,0,0|1,1,0]=4 7272 B14R0.597 CCCCC(O)C(=O)NCC(O)COC 240690a_100000756049_100000720857 [0,2,0,0,0,0|1,1,0]=4 7273 B14R0.597 CCCCC(O)C(=O)NCC(O)COC 527a_100000756049_100000720857 [0,2,0,0,0,0|1,1,0]=4 7274 B14R0.1240 CCC(C)CCC(=O)NCC(O)COC 240690a_100000756049_100000701222 [0,2,0,0,0,0|1,1,0]=4 7275 B14R0.1240 CCC(C)CCC(=O)NCC(O)COC 527a_100000756049_100000701222 [0,2,0,0,0,0|1,1,0]=4 7276 B14R0.1240 CCC(O)CCC(=O)NCC(O)COC 240690a_100000756049_203496584001 [0,2,0,0,0,0|1,1,0]=4 7277 B14R0.1452 CCCCCC(=O)CNC(C)(C)CSC 2230a_100000759623_200012276598 [0,2,0,0,0,0|2,0,0]=4 7278 B14R0.1452 CCCCCC(=O)CNC(C)(C)CSC 7a_100000759623_200012276598 [0,2,0,0,0,0|2,0,0]=4 7279 B14R0.1452 CCCCCC(=O)NCC(C)(C)COC 11a_100000734190_100000212188 [0,2,0,0,0,0|1,1,0]=4 7280 B14R0.1452 CCCCCC(=O)NCC(C)(C)COC 1626a_100000734190_100000212188 [0,2,0,0,0,0|1,1,0]=4 7281 B14R0.1452 CCCCCC(=O)NCC(C)(C)COC 240690a_100000734190_100000212188 [0,2,0,0,0,0|1,1,0]=4 7282 B14R0.1452 CCCCCC(=O)NCC(C)(C)COC 527a_100000734190_100000212188 [0,2,0,0,0,0|1,1,0]=4 7283 B14R0.2424 CCCC(C)CC(=O)N(C)CCCOC 11a_100000224831_100000748435 [0,2,0,0,0,0|1,1,0]=4 7284 B14R0.2424 CCCC(C)CC(=O)N(C)CCCOC 1626a_100000224831_100000748435 [0,2,0,0,0,0|1,1,0]=4 7285 B14R0.2424 CCCC(C)CC(=O)N(C)CCCOC 240690a_100000224831_100000748435 [0,2,0,0,0,0|1,1,0]=4 7286 B14R0.2424 CCCC(C)CC(=O)N(C)CCCOC 527a_100000224831_100000748435 [0,2,0,0,0,0|1,1,0]=4 7287 B14R0.2424 CCCCCC(=O)N(C)CC(O)COC 240690a_100000739405_100000212188 [0,2,0,0,0,0|1,1,0]=4 7288 B14R0.2424 CCCCCC(=O)N(C)CC(O)COC 527a_100000739405_100000212188 [0,2,0,0,0,0|1,1,0]=4 7289 B14R0.2424 CCCCCC(C)C(=O)CC(C)CCC 1458a_100000748435_200011218191 [0,2,0,0,0,0|2,0,0]=4 7290 B14R0.2424 CCCCCC(C)C(=O)CC(C)CCC 1458a_100011215998_100011216630 [0,2,0,0,0,0|2,0,0]=4 7291 B14R0.2424 CCCCCN(C)C(=O)CC(C)CCC 11a_100000223495_100000748435 [0,2,0,0,0,0|2,0,0]=4 7292 B14R0.2424 CCCCCN(C)C(=O)CC(C)CCC 1626a_100000223495_100000748435 [0,2,0,0,0,0|2,0,0]=4 7293 B14R0.2424 CCCCCN(C)C(=O)CC(C)CCC 240690a_100000223495_100000748435 [0,2,0,0,0,0|2,0,0]=4 7294 B14R0.2424 CCCCCN(C)C(=O)CC(C)CCC 527a_100000223495_100000748435 [0,2,0,0,0,0|2,0,0]=4 7295 B14R0.18 CCC(C)CCNC(=O)CCC(C)CC 11a_100020591266_100000701222 [0,2,0,0,0,0|2,0,0]=4 7296 B14R0.18 CCC(C)CCNC(=O)CCC(C)CC 1626a_100020591266_100000701222 [0,2,0,0,0,0|2,0,0]=4 7297 B14R0.18 CCC(C)CCNC(=O)CCC(C)CC 240690a_100020591266_100000701222 [0,2,0,0,0,0|2,0,0]=4 7298 B14R0.18 CCC(C)CCNC(=O)CCC(C)CC 527a_100020591266_100000701222 [0,2,0,0,0,0|2,0,0]=4 7299 B14R0.18 CCC(C)CCNC(=O)CCC(O)CC 1626a_100020591266_203496584001 [0,2,0,0,0,0|2,0,0]=4 7300 B14R0.18 CCC(C)CCNC(=O)CCC(O)CC 240690a_100020591266_203496584001 [0,2,0,0,0,0|2,0,0]=4 7301 B14R0.42 CCCCC(C)C(=O)NCCC(C)CC 11a_100020591266_100000725509 [0,2,0,0,0,0|2,0,0]=4 7302 B14R0.42 CCCCC(C)C(=O)NCCC(C)CC 1626a_100020591266_100000725509 [0,2,0,0,0,0|2,0,0]=4 7303 B14R0.42 CCCCC(C)C(=O)NCCC(C)CC 240690a_100020591266_100000725509 [0,2,0,0,0,0|2,0,0]=4 7304 B14R0.42 CCCCC(C)C(=O)NCCC(C)CC 527a_100020591266_100000725509 [0,2,0,0,0,0|2,0,0]=4 7305 B14R0.42 CCCCC(O)C(=O)NCCC(C)CC 240690a_100020591266_100000720857 [0,2,0,0,0,0|2,0,0]=4 7306 B14R0.42 CCCCC(O)C(=O)NCCC(C)CC 527a_100020591266_100000720857 [0,2,0,0,0,0|2,0,0]=4 7307 B14R0.230 CCCCCC(=O)NC(C)CC(C)CC 11a_100000763565_100000212188 [0,2,0,0,0,0|2,0,0]=4 7308 B14R0.230 CCCCCC(=O)NC(C)CC(C)CC 1626a_100000763565_100000212188 [0,2,0,0,0,0|2,0,0]=4 7309 B14R0.230 CCCCCC(=O)NC(C)CC(C)CC 240690a_100000763565_100000212188 [0,2,0,0,0,0|2,0,0]=4 7310 B14R0.230 CCCCCC(=O)NC(C)CC(C)CC 527a_100000763565_100000212188 [0,2,0,0,0,0|2,0,0]=4 7311 B14R0.454 CCCCCC(=O)CCCC(OC)OC 1458a_100000212188_100000069011 [0,2,0,0,0,0|1,1,0]=4 7312 B14R0.473 CCC(C)CCC(=O)N(C)CCCOC 11a_100000224831_100000701222 [0,2,0,0,0,0|1,1,0]=4 7313 B14R0.473 CCC(C)CCC(=O)N(C)CCCOC 1626a_100000224831_100000701222 [0,2,0,0,0,0|1,1,0]=4 7314 B14R0.473 CCC(C)CCC(=O)N(C)CCCOC 240690a_100000224831_100000701222 [0,2,0,0,0,0|1,1,0]=4 7315 B14R0.473 CCC(C)CCC(=O)N(C)CCCOC 527a_100000224831_100000701222 [0,2,0,0,0,0|1,1,0]=4 7316 B14R0.473 CCC(O)CCC(=O)N(C)CCCOC 1626a_100000224831_203496584001 [0,2,0,0,0,0|1,1,0]=4 7317 B14R0.473 CCC(O)CCC(=O)N(C)CCCOC 240690a_100000224831_203496584001 [0,2,0,0,0,0|1,1,0]=4 7318 B14R0.473 CCCCCC(C)C(=O)CCC(C)CC 1458a_100000701222_200011218191 [0,2,0,0,0,0|2,0,0]=4 7319 B14R0.473 CCCCCN(C)C(=O)CCC(C)CC 11a_100000223495_100000701222 [0,2,0,0,0,0|2,0,0]=4 7320 B14R0.473 CCCCCN(C)C(=O)CCC(C)CC 1626a_100000223495_100000701222 [0,2,0,0,0,0|2,0,0]=4 7321 B14R0.473 CCCCCN(C)C(=O)CCC(C)CC 240690a_100000223495_100000701222 [0,2,0,0,0,0|2,0,0]=4 7322 B14R0.473 CCCCCN(C)C(=O)CCC(C)CC 527a_100000223495_100000701222 [0,2,0,0,0,0|2,0,0]=4 7323 B14R0.473 CCCCCN(C)C(=O)CCC(O)CC 1626a_100000223495_203496584001 [0,2,0,0,0,0|2,0,0]=4 7324 B14R0.473 CCCCCN(C)C(=O)CCC(O)CC 240690a_100000223495_203496584001 [0,2,0,0,0,0|2,0,0]=4 7325 B14R0.2432 C=CCC(C)COCC(=O)CCCCC 34a_100009832082_200012276598 [0,2,0,0,0,0|1,0,1]=4 7326 B14R0.2432 C=CCC(C)COCC(=O)CCCCC 7a_100009832082_200012276598 [0,2,0,0,0,0|1,0,1]=4 7327 B14R0.2432 C=CC[C@@H](N)COCC(=O)CCCCC 34a_100020615467_200012276598 [0,2,0,0,0,0|1,0,1]=4 7328 B14R0.2432 CCCCCC(=NNCC(O)CSC)C 4a_200000122717_100000211708 [0,2,0,0,0,0|2,0,0]=4 7329 B14R0.2432 CCCCCC(=O)CNCC(O)COC 2230a_100000756049_200012276598 [0,2,0,0,0,0|1,1,0]=4 7330 B14R0.2432 CCCCCC(=O)CNCC(O)COC 34a_100000756049_200012276598 [0,2,0,0,0,0|1,1,0]=4 7331 B14R0.2432 CCCCCC(=O)COCC(C)CCC 34a_100000688023_200012276598 [0,2,0,0,0,0|1,0,0]=3 7332 B14R0.2432 CCCCCC(=O)COCC(C)CCC 7a_100000688023_200012276598 [0,2,0,0,0,0|1,0,0]=3 7333 B14R0.2432 CCCCCC(=O)COCC(C)CCN 34a_106354213184_200012276598 [0,2,0,0,0,0|2,0,0]=4 7334 B14R0.2432 CCCCCC(=O)COCC(N)COC 34a_100000724102_200012276598 [0,2,0,0,0,0|0,1,0]=3 7335 B14R0.2432 CCCCCC(=O)COC[C@@H](N)CCC 34a_100000732646_200012276598 [0,2,0,0,0,0|1,0,0]=3 7336 B14R0.2432 CCCCCC(=O)CSCC(C)CCC 62a_100011216630_200012276598 [0,2,0,0,0,0|1,1,0]=4 7337 B14R0.2432 CCCCCC(=O)CSCC(C)CCC 62a_200012276598_100011216630 [0,2,0,0,0,0|1,1,0]=4 7338 B14R0.2432 CCCCCC(=O)CSCC(O)COC 62a_100011215053_200012276598 [0,2,0,0,0,0|0,2,0]=4 7339 B14R0.2432 CCCCCC(=O)CSCC(O)COC 62a_200012276598_100011215053 [0,2,0,0,0,0|0,2,0]=4 7340 B14R0.2432 CCCCCC(=O)NNCC(O)CSC 22a_200000122717_100000212188 [0,2,0,0,0,0|1,0,0]=3 7341 B14R0.2432 CCCCNC(=O)COCC(C)CCC 34a_100000688023_100000182744 [0,2,0,0,0,0|2,0,0]=4 7342 B14R0.2432 CCCCNC(=O)COCC(C)CCC 7a_100000688023_100000182744 [0,2,0,0,0,0|2,0,0]=4 7343 B14R0.2432 CCCCNC(=O)COCC(N)COC 34a_100000724102_100000182744 [0,2,0,0,0,0|1,1,0]=4 7344 B14R0.2432 CCCCNC(=O)COC[C@@H](N)CCC 34a_100000732646_100000182744 [0,2,0,0,0,0|2,0,0]=4 7345 B14R0.2432 CCCCNC(=O)NNCC(O)CSC 273464a_100000102301_200000122717 [0,2,0,0,0,0|2,0,0]=4 7346 B14R0.2432 CCCCNC(=O)NNCC(O)CSC 512a_100000102301_200000122717 [0,2,0,0,0,0|2,0,0]=4 7347 B14R0.2432 CCCCNC(=O)NNCC(O)CSC 512a_200000122717_100000102301 [0,2,0,0,0,0|2,0,0]=4 7348 B14R0.2432 CCCCOC(=O)COCC(C)CCC 34a_100000688023_100000211628 [0,2,0,0,0,0|2,0,0]=4 7349 B14R0.2432 CCCCOC(=O)COCC(C)CCC 7a_100000688023_100000211628 [0,2,0,0,0,0|2,0,0]=4 7350 B14R0.2432 CCCCOC(=O)COCC(N)COC 34a_100000724102_100000211628 [0,2,0,0,0,0|1,1,0]=4 7351 B14R0.2432 CCCCOC(=O)COC[C@@H](N)CCC 34a_100000732646_100000211628 [0,2,0,0,0,0|2,0,0]=4 7352 B14R0.2432 CCCOCC(=O)NNCC(O)CSC 22a_200000122717_100000745993 [0,2,0,0,0,0|2,0,0]=4 7353 B14R0.2432 CCCSCC(=O)NNCC(O)CSC 22a_200000122717_100000217233 [0,2,0,0,0,0|2,0,0]=4 7354 B14R0.2432 CCOCCC(=O)NNCC(O)CSC 22a_200000122717_100000749530 [0,2,0,0,0,0|2,0,0]=4 7355 B14R0.2432 CCSCCC(=O)NNCC(O)CSC 22a_200000122717_100000230768 [0,2,0,0,0,0|2,0,0]=4 7356 B14R0.2432 COCCCC(=O)NNCC(O)CSC 22a_200000122717_100000741012 [0,2,0,0,0,0|2,0,0]=4 7357 B14R0.2432 CSCCCC(=O)NNCC(O)CSC 22a_200000122717_100000173376 [0,2,0,0,0,0|2,0,0]=4 7358 B14R0.2861 CCCC(C)CC(=O)NCCC(C)CC 11a_100020591266_100000748435 [0,2,0,0,0,0|2,0,0]=4 7359 B14R0.2861 CCCC(C)CC(=O)NCCC(C)CC 1626a_100020591266_100000748435 [0,2,0,0,0,0|2,0,0]=4 7360 B14R0.2861 CCCC(C)CC(=O)NCCC(C)CC 240690a_100020591266_100000748435 [0,2,0,0,0,0|2,0,0]=4 7361 B14R0.2861 CCCC(C)CC(=O)NCCC(C)CC 527a_100020591266_100000748435 [0,2,0,0,0,0|2,0,0]=4 7362 B14R0.154 CCCCC(C)NC(=O)CC(C)CCC 11a_100000126638_100000748435 [0,2,0,0,0,0|2,0,0]=4 7363 B14R0.154 CCCCC(C)NC(=O)CC(C)CCC 1626a_100000126638_100000748435 [0,2,0,0,0,0|2,0,0]=4 7364 B14R0.154 CCCCC(C)NC(=O)CC(C)CCC 240690a_100000126638_100000748435 [0,2,0,0,0,0|2,0,0]=4 7365 B14R0.154 CCCCC(C)NC(=O)CC(C)CCC 527a_100000126638_100000748435 [0,2,0,0,0,0|2,0,0]=4 7366 B14R0.176 CCCCCC(=O)CC(CC)CCCC 1458a_100000212188_100000211942 [0,2,0,0,0,0|2,0,0]=4 7367 B14R0.176 CCCCCC(=O)N[C@H](CO)CCCC 240690a_100011934283_100000212188 [0,2,0,0,0,0|2,0,0]=4 7368 B14R0.176 CCCCCC(=O)N[C@H](CO)CCCC 527a_100011934283_100000212188 [0,2,0,0,0,0|2,0,0]=4 7369 B14R0.176 CCCCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000212188 [0,2,0,0,0,0|1,0,0]=3 7370 B14R0.176 CCCCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000212188 [0,2,0,0,0,0|1,0,0]=3 7371 B14R0.176 CCCCNC(=O)N[C@H](CO)CCSC 2708a_100000102301_100011827619 [0,2,0,0,0,0|2,0,0]=4 7372 B14R0.176 CCCCNC(=O)N[C@H](CO)CCSC 273464a_100000102301_100011827619 [0,2,0,0,0,0|2,0,0]=4 7373 B14R0.176 CCCCNC(=O)N[C@H](CO)CCSC 273464a_100011827619_100000102301 [0,2,0,0,0,0|2,0,0]=4 7374 B14R0.176 CCCCNC(=O)N[C@H](CO)CCSC 512a_100000102301_100011827619 [0,2,0,0,0,0|2,0,0]=4 7375 B14R0.176 CCCCNC(=O)N[C@H](CO)CCSC 512a_100011827619_100000102301 [0,2,0,0,0,0|2,0,0]=4 7376 B14R0.176 CCCOCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000745993 [0,2,0,0,0,0|2,0,0]=4 7377 B14R0.176 CCCOCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000745993 [0,2,0,0,0,0|2,0,0]=4 7378 B14R0.176 CCCSCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000217233 [0,2,0,0,0,0|2,0,0]=4 7379 B14R0.176 CCCSCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000217233 [0,2,0,0,0,0|2,0,0]=4 7380 B14R0.176 CCOCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000749530 [0,2,0,0,0,0|2,0,0]=4 7381 B14R0.176 CCOCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000749530 [0,2,0,0,0,0|2,0,0]=4 7382 B14R0.176 CCSCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000230768 [0,2,0,0,0,0|2,0,0]=4 7383 B14R0.176 CCSCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000230768 [0,2,0,0,0,0|2,0,0]=4 7384 B14R0.176 COCCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000741012 [0,2,0,0,0,0|2,0,0]=4 7385 B14R0.176 COCCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000741012 [0,2,0,0,0,0|2,0,0]=4 7386 B14R0.176 CSCCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000173376 [0,2,0,0,0,0|2,0,0]=4 7387 B14R0.176 CSCCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000173376 [0,2,0,0,0,0|2,0,0]=4 7388 B14R0.449 CCCCC(C)NC(=O)CCC(C)CC 11a_100000126638_100000701222 [0,2,0,0,0,0|2,0,0]=4 7389 B14R0.449 CCCCC(C)NC(=O)CCC(C)CC 1626a_100000126638_100000701222 [0,2,0,0,0,0|2,0,0]=4 7390 B14R0.449 CCCCC(C)NC(=O)CCC(C)CC 240690a_100000126638_100000701222 [0,2,0,0,0,0|2,0,0]=4 7391 B14R0.449 CCCCC(C)NC(=O)CCC(C)CC 527a_100000126638_100000701222 [0,2,0,0,0,0|2,0,0]=4 7392 B14R0.449 CCCCC(C)NC(=O)CCC(O)CC 1626a_100000126638_203496584001 [0,2,0,0,0,0|2,0,0]=4 7393 B14R0.449 CCCCC(C)NC(=O)CCC(O)CC 240690a_100000126638_203496584001 [0,2,0,0,0,0|2,0,0]=4 7394 B14R0.474 CCCCC(C)C(=O)N(C)CCCOC 11a_100000224831_100000725509 [0,2,0,0,0,0|1,1,0]=4 7395 B14R0.474 CCCCC(C)C(=O)N(C)CCCOC 1626a_100000224831_100000725509 [0,2,0,0,0,0|1,1,0]=4 7396 B14R0.474 CCCCC(C)C(=O)N(C)CCCOC 240690a_100000224831_100000725509 [0,2,0,0,0,0|1,1,0]=4 7397 B14R0.474 CCCCC(C)C(=O)N(C)CCCOC 527a_100000224831_100000725509 [0,2,0,0,0,0|1,1,0]=4 7398 B14R0.474 CCCCC(O)C(=O)N(C)CCCOC 240690a_100000224831_100000720857 [0,2,0,0,0,0|1,1,0]=4 7399 B14R0.474 CCCCC(O)C(=O)N(C)CCCOC 527a_100000224831_100000720857 [0,2,0,0,0,0|1,1,0]=4 7400 B14R0.474 CCCCCC(C)C(=O)C(C)CCCC 1458a_100000725509_200011218191 [0,2,0,0,0,0|2,0,0]=4 7401 B14R0.474 CCCCCC(C)C(=O)C(C)CCCC 1458a_100011215998_200011215066 [0,2,0,0,0,0|2,0,0]=4 7402 B14R0.474 CCCCCC(C)C(=O)C(O)CCCC 1458a_100000720857_200011218191 [0,2,0,0,0,0|2,0,0]=4 7403 B14R0.474 CCCCCN(C)C(=O)C(C)CCCC 11a_100000223495_100000725509 [0,2,0,0,0,0|2,0,0]=4 7404 B14R0.474 CCCCCN(C)C(=O)C(C)CCCC 1626a_100000223495_100000725509 [0,2,0,0,0,0|2,0,0]=4 7405 B14R0.474 CCCCCN(C)C(=O)C(C)CCCC 240690a_100000223495_100000725509 [0,2,0,0,0,0|2,0,0]=4 7406 B14R0.474 CCCCCN(C)C(=O)C(C)CCCC 527a_100000223495_100000725509 [0,2,0,0,0,0|2,0,0]=4 7407 B14R0.474 CCCCCN(C)C(=O)C(O)CCCC 240690a_100000223495_100000720857 [0,2,0,0,0,0|2,0,0]=4 7408 B14R0.474 CCCCCN(C)C(=O)C(O)CCCC 527a_100000223495_100000720857 [0,2,0,0,0,0|2,0,0]=4 7409 B14R0.1299 CCCCC(C)NC(=O)C(C)CCCC 11a_100000126638_100000725509 [0,2,0,0,0,0|2,0,0]=4 7410 B14R0.1299 CCCCC(C)NC(=O)C(C)CCCC 1626a_100000126638_100000725509 [0,2,0,0,0,0|2,0,0]=4 7411 B14R0.1299 CCCCC(C)NC(=O)C(C)CCCC 240690a_100000126638_100000725509 [0,2,0,0,0,0|2,0,0]=4 7412 B14R0.1299 CCCCC(C)NC(=O)C(C)CCCC 527a_100000126638_100000725509 [0,2,0,0,0,0|2,0,0]=4 7413 B14R0.1299 CCCCC(C)NC(=O)C(O)CCCC 240690a_100000126638_100000720857 [0,2,0,0,0,0|2,0,0]=4 7414 B14R0.1299 CCCCC(C)NC(=O)C(O)CCCC 527a_100000126638_100000720857 [0,2,0,0,0,0|2,0,0]=4 7415 B14R0.1444 CCCCCC(=O)CC(=O)CCCCC 1458a_100000212188_200012276598 [0,2,0,0,0,0|2,0,0]=4 7416 B14R0.1444 CCCCCC(=O)CC(=O)CCCOC 1458a_100000741012_200012276598 [0,2,0,0,0,0|1,1,0]=4 7417 B14R0.1444 CCCCCC(=O)CC(=O)CCCSC 1458a_100000173376_200012276598 [0,2,0,0,0,0|1,0,0]=3 7418 B14R0.1444 CCCCCC(=O)CC(=O)CCSCC 1458a_100000230768_200012276598 [0,2,0,0,0,0|1,0,1]=4 7419 B14R0.1444 CCCCCC(=O)CN(C)CCCCC 2230a_100000223495_200012276598 [0,2,0,0,0,0|2,0,0]=4 7420 B14R0.1444 CCCCCC(=O)CN(C)CCCCC 269982a_100000223495_200012276598 [0,2,0,0,0,0|2,0,0]=4 7421 B14R0.1444 CCCCCC(=O)CN(C)CCCOC 2230a_100000224831_200012276598 [0,2,0,0,0,0|1,1,0]=4 7422 B14R0.1444 CCCCCC(=O)CN(C)CCCOC 269982a_100000224831_200012276598 [0,2,0,0,0,0|1,1,0]=4 7423 B14R0.1444 CCCCCC(=O)NC(C)CCCCC 11a_100000211957_100000212188 [0,2,0,0,0,0|2,0,0]=4 7424 B14R0.1444 CCCCCC(=O)NC(C)CCCCC 1626a_100000211957_100000212188 [0,2,0,0,0,0|2,0,0]=4 7425 B14R0.1444 CCCCCC(=O)NC(C)CCCCC 240690a_100000211957_100000212188 [0,2,0,0,0,0|2,0,0]=4 7426 B14R0.1444 CCCCCC(=O)NC(C)CCCCC 527a_100000211957_100000212188 [0,2,0,0,0,0|2,0,0]=4 7427 B14R0.1444 CCCCCC(C)OC(=O)COCCC 34a_100000210258_200000092394 [0,2,0,0,0,0|2,0,0]=4 7428 B14R0.1444 CCCCCC(C)OC(=O)CSCCC 62a_100000210303_200000092394 [0,2,0,0,0,0|2,0,0]=4 7429 B14R0.1444 CCCCCC(C)OC(=O)CSCCC 62a_200000092394_100000210303 [0,2,0,0,0,0|2,0,0]=4 7430 B14R0.1444 CCCCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000182744 [0,2,0,0,0,0|2,0,0]=4 7431 B14R0.1444 CCCCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000211628 [0,2,0,0,0,0|2,0,0]=4 7432 B14R0.235 CCCCCC(=O)C(CC)CCCCC 1458a_100000697129_100000210326 [0,2,0,0,0,0|2,0,0]=4 7433 B14R0.73 CCCC(C)CC(=O)CCCCCCF 1458a_100000748435_100015922095 [0,2,0,0,0,0|2,0,0]=4 7434 B14R0.73 CCCC(C)CC(=O)CCCCCCO 1458a_100000748435_100000766143 [0,2,0,0,0,0|2,0,0]=4 7435 B14R0.73 CCCC(C)CC(=O)CCCCCCO 1458a_100011996774_100011216630 [0,2,0,0,0,0|2,0,0]=4 7436 B14R0.73 CCCC(C)CC(=O)CCCCCOC 1458a_100011935119_100011216630 [0,2,0,0,0,0|1,1,0]=4 7437 B14R0.73 CCCC(C)CC(=O)CCOCCOC 1458a_100000745395_100011216630 [0,2,0,0,0,0|1,1,0]=4 7438 B14R0.73 CCCC(C)CC(=O)CCOCCOC 1458a_100000748435_100000695917 [0,2,0,0,0,0|1,1,0]=4 7439 B14R0.73 CCCC(C)CC(=O)NCCCCCO 240690a_100000762737_100000748435 [0,2,0,0,0,0|2,0,0]=4 7440 B14R0.73 CCCC(C)CC(=O)NCCCOCC 11a_100000210961_100000748435 [0,2,0,0,0,0|1,1,0]=4 7441 B14R0.73 CCCC(C)CC(=O)NCCCOCC 1626a_100000210961_100000748435 [0,2,0,0,0,0|1,1,0]=4 7442 B14R0.73 CCCC(C)CC(=O)NCCCOCC 240690a_100000210961_100000748435 [0,2,0,0,0,0|1,1,0]=4 7443 B14R0.73 CCCC(C)CC(=O)NCCCOCC 527a_100000210961_100000748435 [0,2,0,0,0,0|1,1,0]=4 7444 B14R0.73 CCCC(C)CC(=O)NNCCCOC 22a_100025702787_100000748435 [0,2,0,0,0,0|1,1,0]=4 7445 B14R0.73 CCCCCC#CC(=O)CC(C)CCC 1458a_100011215388_100011216630 [0,2,0,0,0,0|2,0,0]=4 7446 B14R0.73 CCCCCC=CC(=O)CC(C)CCC 1458a_100016263427_100011216630 [0,2,0,0,0,0|2,0,0]=4 7447 B14R0.73 CCCCCCCC(=O)CC(C)CCC 1458a_100000211969_100011216630 [0,2,0,0,0,0|2,0,0]=4 7448 B14R0.73 CCCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210614 [0,2,0,0,0,0|2,0,0]=4 7449 B14R0.73 CCCCCCNC(=O)CC(C)CCC 11a_100000210581_100000748435 [0,2,0,0,0,0|2,0,0]=4 7450 B14R0.73 CCCCCCNC(=O)CC(C)CCC 1626a_100000210581_100000748435 [0,2,0,0,0,0|2,0,0]=4 7451 B14R0.73 CCCCCCNC(=O)CC(C)CCC 240690a_100000210581_100000748435 [0,2,0,0,0,0|2,0,0]=4 7452 B14R0.73 CCCCCCNC(=O)CC(C)CCC 527a_100000210581_100000748435 [0,2,0,0,0,0|2,0,0]=4 7453 B14R0.73 CCCCCNNC(=O)CC(C)CCC 22a_100000694160_100000748435 [0,2,0,0,0,0|2,0,0]=4 7454 B14R0.73 CCCCOCCC(=O)CC(C)CCC 1458a_100000748435_100000743108 [0,2,0,0,0,0|2,0,0]=4 7455 B14R0.73 CCCOCCNC(=O)CC(C)CCC 1626a_100161115042_100000748435 [0,2,0,0,0,0|2,0,0]=4 7456 B14R0.73 CCCOCCNC(=O)CC(C)CCC 240690a_100161115042_100000748435 [0,2,0,0,0,0|2,0,0]=4 7457 B14R0.73 CCCOCCNC(=O)CC(C)CCC 527a_100161115042_100000748435 [0,2,0,0,0,0|2,0,0]=4 7458 B14R0.73 CCCSCCNC(=O)CC(C)CCC 11a_100020603323_100000748435 [0,2,0,0,0,0|2,0,0]=4 7459 B14R0.73 CCCSCCNC(=O)CC(C)CCC 240690a_100020603323_100000748435 [0,2,0,0,0,0|2,0,0]=4 7460 B14R0.73 CCCSCCNC(=O)CC(C)CCC 527a_100020603323_100000748435 [0,2,0,0,0,0|2,0,0]=4 7461 B14R0.1389 CCCC(C)(O)CC(=O)CCCCOC 1458a_100011667670_100000755781 [0,2,0,0,0,0|1,1,0]=4 7462 B14R0.1389 CCCC(C)(O)CC(=O)NCCCOC 240690a_100150723488_100011667670 [0,2,0,0,0,0|1,1,0]=4 7463 B14R0.1389 CCCC(C)(O)CC(=O)NCCCOC 527a_100150723488_100011667670 [0,2,0,0,0,0|1,1,0]=4 7464 B14R0.1389 CCCC(C)(O)CC(=O)NCCCSC 240690a_100000749238_100011667670 [0,2,0,0,0,0|1,0,0]=3 7465 B14R0.1389 CCCC(C)(O)CC(=O)NCCCSC 527a_100000749238_100011667670 [0,2,0,0,0,0|1,0,0]=3 7466 B14R0.1389 CCCCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210757 [0,2,0,0,0,0|2,0,0]=4 7467 B14R0.1389 CCCCCNC(=O)CC(C)(O)CCC 240690a_100000209983_100011667670 [0,2,0,0,0,0|2,0,0]=4 7468 B14R0.1389 CCCCCNC(=O)CC(C)(O)CCC 527a_100000209983_100011667670 [0,2,0,0,0,0|2,0,0]=4 7469 B14R0.2231 CCCC(CC)NC(=O)NCCCSC 2708a_100000747048_100000749238 [0,2,0,0,0,0|2,0,0]=4 7470 B14R0.2231 CCCC(CC)NC(=O)NCCCSC 2708a_100000749238_100000747048 [0,2,0,0,0,0|2,0,0]=4 7471 B14R0.2231 CCCC(CC)NC(=O)NCCCSC 273464a_100000747048_100000749238 [0,2,0,0,0,0|2,0,0]=4 7472 B14R0.2231 CCCC(CC)NC(=O)NCCCSC 273464a_100000749238_100000747048 [0,2,0,0,0,0|2,0,0]=4 7473 B14R0.2231 CCCC(CC)NC(=O)NCCCSC 512a_100000747048_100000749238 [0,2,0,0,0,0|2,0,0]=4 7474 B14R0.2231 CCCC(CC)NC(=O)NCCCSC 512a_100000749238_100000747048 [0,2,0,0,0,0|2,0,0]=4 7475 B14R0.2231 CCC[C@@H](CO)NC(=O)NCCCSC 2708a_100000749238_100000732646 [0,2,0,0,0,0|2,0,0]=4 7476 B14R0.2231 CCC[C@@H](CO)NC(=O)NCCCSC 273464a_100000732646_100000749238 [0,2,0,0,0,0|2,0,0]=4 7477 B14R0.2231 CCC[C@@H](CO)NC(=O)NCCCSC 273464a_100000749238_100000732646 [0,2,0,0,0,0|2,0,0]=4 7478 B14R0.2231 CCC[C@@H](CO)NC(=O)NCCCSC 512a_100000732646_100000749238 [0,2,0,0,0,0|2,0,0]=4 7479 B14R0.2231 CCC[C@@H](CO)NC(=O)NCCCSC 512a_100000749238_100000732646 [0,2,0,0,0,0|2,0,0]=4 7480 B14R0.2235 CCN(C)C(C)CC(=O)NCCCSC 1626a_100000749238_200015187196 [0,2,0,0,0,0|2,0,0]=4 7481 B14R0.2235 CCN(C)C(C)CC(=O)NCCCSC 240690a_100000749238_200015187196 [0,2,0,0,0,0|2,0,0]=4 7482 B14R0.2235 CCN(C)C(C)CC(=O)NCCCSC 527a_100000749238_200015187196 [0,2,0,0,0,0|2,0,0]=4 7483 B14R0.140 CCC(C)CCC(=O)CCCCCCF 1458a_100000701222_100015922095 [0,2,0,0,0,0|2,0,0]=4 7484 B14R0.140 CCC(C)CCC(=O)CCCCCCO 1458a_100000701222_100000766143 [0,2,0,0,0,0|2,0,0]=4 7485 B14R0.140 CCC(C)CCC(=O)CCOCCOC 1458a_100000701222_100000695917 [0,2,0,0,0,0|1,1,0]=4 7486 B14R0.140 CCC(C)CCC(=O)NCCCCCO 240690a_100000762737_100000701222 [0,2,0,0,0,0|2,0,0]=4 7487 B14R0.140 CCC(C)CCC(=O)NNCCCOC 22a_100025702787_100000701222 [0,2,0,0,0,0|1,1,0]=4 7488 B14R0.140 CCC(O)CCC(=O)NCCCCCO 240690a_100000762737_203496584001 [0,2,0,0,0,0|2,0,0]=4 7489 B14R0.140 CCC(O)CCC(=O)NNCCCOC 22a_100025702787_203496584001 [0,2,0,0,0,0|1,1,0]=4 7490 B14R0.140 CCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210614 [0,2,0,0,0,0|2,0,0]=4 7491 B14R0.140 CCCCCCNC(=O)CCC(C)CC 11a_100000210581_100000701222 [0,2,0,0,0,0|2,0,0]=4 7492 B14R0.140 CCCCCCNC(=O)CCC(C)CC 1626a_100000210581_100000701222 [0,2,0,0,0,0|2,0,0]=4 7493 B14R0.140 CCCCCCNC(=O)CCC(C)CC 240690a_100000210581_100000701222 [0,2,0,0,0,0|2,0,0]=4 7494 B14R0.140 CCCCCCNC(=O)CCC(C)CC 527a_100000210581_100000701222 [0,2,0,0,0,0|2,0,0]=4 7495 B14R0.140 CCCCCCNC(=O)CCC(O)CC 1626a_100000210581_203496584001 [0,2,0,0,0,0|2,0,0]=4 7496 B14R0.140 CCCCCCNC(=O)CCC(O)CC 240690a_100000210581_203496584001 [0,2,0,0,0,0|2,0,0]=4 7497 B14R0.140 CCCCCNNC(=O)CCC(C)CC 22a_100000694160_100000701222 [0,2,0,0,0,0|2,0,0]=4 7498 B14R0.140 CCCCCNNC(=O)CCC(O)CC 22a_100000694160_203496584001 [0,2,0,0,0,0|2,0,0]=4 7499 B14R0.140 CCCCOCCC(=O)CCC(C)CC 1458a_100000701222_100000743108 [0,2,0,0,0,0|2,0,0]=4 7500 B14R0.140 CCCOCCNC(=O)CCC(C)CC 1626a_100161115042_100000701222 [0,2,0,0,0,0|2,0,0]=4 7501 B14R0.140 CCCOCCNC(=O)CCC(C)CC 240690a_100161115042_100000701222 [0,2,0,0,0,0|2,0,0]=4 7502 B14R0.140 CCCOCCNC(=O)CCC(C)CC 527a_100161115042_100000701222 [0,2,0,0,0,0|2,0,0]=4 7503 B14R0.140 CCCOCCNC(=O)CCC(O)CC 1626a_100161115042_203496584001 [0,2,0,0,0,0|2,0,0]=4 7504 B14R0.140 CCCOCCNC(=O)CCC(O)CC 240690a_100161115042_203496584001 [0,2,0,0,0,0|2,0,0]=4 7505 B14R0.140 CCCSCCNC(=O)CCC(C)CC 11a_100020603323_100000701222 [0,2,0,0,0,0|2,0,0]=4 7506 B14R0.140 CCCSCCNC(=O)CCC(C)CC 240690a_100020603323_100000701222 [0,2,0,0,0,0|2,0,0]=4 7507 B14R0.140 CCCSCCNC(=O)CCC(C)CC 527a_100020603323_100000701222 [0,2,0,0,0,0|2,0,0]=4 7508 B14R0.140 CCCSCCNC(=O)CCC(O)CC 240690a_100020603323_203496584001 [0,2,0,0,0,0|2,0,0]=4 7509 B14R0.140 CCOCCCNC(=O)CCC(C)CC 11a_100000210961_100000701222 [0,2,0,0,0,0|1,1,0]=4 7510 B14R0.140 CCOCCCNC(=O)CCC(C)CC 1626a_100000210961_100000701222 [0,2,0,0,0,0|1,1,0]=4 7511 B14R0.140 CCOCCCNC(=O)CCC(C)CC 240690a_100000210961_100000701222 [0,2,0,0,0,0|1,1,0]=4 7512 B14R0.140 CCOCCCNC(=O)CCC(C)CC 527a_100000210961_100000701222 [0,2,0,0,0,0|1,1,0]=4 7513 B14R0.140 CCOCCCNC(=O)CCC(O)CC 1626a_100000210961_203496584001 [0,2,0,0,0,0|1,1,0]=4 7514 B14R0.140 CCOCCCNC(=O)CCC(O)CC 240690a_100000210961_203496584001 [0,2,0,0,0,0|1,1,0]=4 7515 B14R0.140 COC(=O)CCC(=O)COCCCSC 34a_100000690336_100000691467 [0,2,0,0,0,0|1,0,1]=4 7516 B14R0.140 COC(=O)CCC(=O)COCCCSC 7a_100000690336_100000691467 [0,2,0,0,0,0|1,0,1]=4 7517 B14R0.140 CSCCCOCC(=O)NCC(O)CO 34a_100000690336_200012027429 [0,2,0,0,0,0|2,0,0]=4 7518 B14R0.140 CSCCCOCC(=O)NCC(O)CO 7a_100000690336_200012027429 [0,2,0,0,0,0|2,0,0]=4 7519 B14R0.179 C#CCCCCCCC(=O)CCCCC 1458a_100000034748_100000210326 [0,2,0,0,0,0|2,0,0]=4 7520 B14R0.179 C#CCCCCCCC(=O)CCCCC 1458a_100000212188_100012276617 [0,2,0,0,0,0|2,0,0]=4 7521 B14R0.179 C#CCCCCOCC(=O)CCCCC 34a_100000766709_200012276598 [0,2,0,0,0,0|1,0,1]=4 7522 B14R0.179 C#CCCCCOCC(=O)CCCCC 7a_100000766709_200012276598 [0,2,0,0,0,0|1,0,1]=4 7523 B14R0.179 C#CCOCCOCC(=O)CCCCC 34a_100000054580_200012276598 [0,2,0,0,0,0|1,0,1]=4 7524 B14R0.179 C#CCOCCOCC(=O)CCCCC 7a_100000054580_200012276598 [0,2,0,0,0,0|1,0,1]=4 7525 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100000212188_100011215473 [0,2,0,0,0,0|2,0,0]=4 7526 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100011809334_100000210326 [0,2,0,0,0,0|2,0,0]=4 7527 B14R0.179 C=CCCCCOCC(=O)CCCCC 34a_100000766645_200012276598 [0,2,0,0,0,0|1,0,1]=4 7528 B14R0.179 C=CCCCCOCC(=O)CCCCC 7a_100000766645_200012276598 [0,2,0,0,0,0|1,0,1]=4 7529 B14R0.179 C=CCOCCOCC(=O)CCCCC 34a_100000037705_200012276598 [0,2,0,0,0,0|1,0,1]=4 7530 B14R0.179 C=CCOCCOCC(=O)CCCCC 7a_100000037705_200012276598 [0,2,0,0,0,0|1,0,1]=4 7531 B14R0.179 CC/C=C\CCOCC(=O)CCCCC 34a_100016288707_200012276598 [0,2,0,0,0,0|1,0,1]=4 7532 B14R0.179 CC/C=C\CCOCC(=O)CCCCC 7a_100016288707_200012276598 [0,2,0,0,0,0|1,0,1]=4 7533 B14R0.179 CC=C=CCCOCC(=O)CCCCC 34a_100011020354_200012276598 [0,2,0,0,0,0|1,0,1]=4 7534 B14R0.179 CC=CCCCOCC(=O)CCCCC 34a_100020645299_200012276598 [0,2,0,0,0,0|1,0,0]=3 7535 B14R0.179 CC=CCCCOCC(=O)NCCCC 34a_100020645299_100000182744 [0,2,0,0,0,0|2,0,0]=4 7536 B14R0.179 CC=CCCCOCC(=O)OCCCC 34a_100020645299_100000211628 [0,2,0,0,0,0|2,0,0]=4 7537 B14R0.179 CCC#CCCOCC(=O)CCCCC 34a_100000036655_200012276598 [0,2,0,0,0,0|1,0,1]=4 7538 B14R0.179 CCC#CCCOCC(=O)CCCCC 7a_100000036655_200012276598 [0,2,0,0,0,0|1,0,1]=4 7539 B14R0.179 CCC/C=C/COCC(=O)CCCCC 34a_100016278788_200012276598 [0,2,0,0,0,0|1,0,1]=4 7540 B14R0.179 CCC/C=C/COCC(=O)CCCCC 7a_100016278788_200012276598 [0,2,0,0,0,0|1,0,1]=4 7541 B14R0.179 CCCC#CCOCC(=O)CCCCC 34a_100000034806_200012276598 [0,2,0,0,0,0|1,0,1]=4 7542 B14R0.179 CCCC#CCOCC(=O)CCCCC 7a_100000034806_200012276598 [0,2,0,0,0,0|1,0,1]=4 7543 B14R0.179 CCCCC/C=C/CC(=O)CCCCC 1458a_100020675968_100000210326 [0,2,0,0,0,0|2,0,0]=4 7544 B14R0.179 CCCCCC#CCC(=O)CCCCC 1458a_100000212188_100009816472 [0,2,0,0,0,0|2,0,0]=4 7545 B14R0.179 CCCCCC(=O)CCCCCCC#N 1458a_100000212188_100009813337 [0,2,0,0,0,0|2,0,0]=4 7546 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100000212188_100000760002 [0,2,0,0,0,0|2,0,0]=4 7547 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210326 [0,2,0,0,0,0|2,0,0]=4 7548 B14R0.179 CCCCCC(=O)CCCCCCOC 1458a_100000212188_100011998445 [0,2,0,0,0,0|1,1,0]=4 7549 B14R0.179 CCCCCC(=O)CCCOCCOC 1458a_100000212188_100011216529 [0,2,0,0,0,0|1,1,0]=4 7550 B14R0.179 CCCCCC(=O)CCOCCOCC 1458a_100000212188_100011211534 [0,2,0,0,0,0|1,1,0]=4 7551 B14R0.179 CCCCCC(=O)CNCCCCCO 2230a_100000762737_200012276598 [0,2,0,0,0,0|2,0,0]=4 7552 B14R0.179 CCCCCC(=O)CNCCCCCO 34a_100000762737_200012276598 [0,2,0,0,0,0|2,0,0]=4 7553 B14R0.179 CCCCCC(=O)CNCCCOCC 2230a_100000210961_200012276598 [0,2,0,0,0,0|1,1,0]=4 7554 B14R0.179 CCCCCC(=O)CNCCCOCC 34a_100000210961_200012276598 [0,2,0,0,0,0|1,1,0]=4 7555 B14R0.179 CCCCCC(=O)CNCCOCCC 2230a_100161115042_200012276598 [0,2,0,0,0,0|2,0,0]=4 7556 B14R0.179 CCCCCC(=O)CNCCOCCC 34a_100161115042_200012276598 [0,2,0,0,0,0|2,0,0]=4 7557 B14R0.179 CCCCCC(=O)CNCCSCCC 2230a_100020603323_200012276598 [0,2,0,0,0,0|2,0,0]=4 7558 B14R0.179 CCCCCC(=O)CNCCSCCO 2230a_100011219999_200012276598 [0,2,0,0,0,0|2,0,0]=4 7559 B14R0.179 CCCCCC(=O)COCCCCCBr 34a_100000746331_200012276598 [0,2,0,0,0,0|1,0,0]=3 7560 B14R0.179 CCCCCC(=O)COCCCCCBr 7a_100000746331_200012276598 [0,2,0,0,0,0|1,0,0]=3 7561 B14R0.179 CCCCCC(=O)COCCCCCCl 34a_100000746330_200012276598 [0,2,0,0,0,0|1,0,0]=3 7562 B14R0.179 CCCCCC(=O)COCCCCCCl 7a_100000746330_200012276598 [0,2,0,0,0,0|1,0,0]=3 7563 B14R0.179 CCCCCC(=O)COCCCCCI 34a_200012148887_200012276598 [0,2,0,0,0,0|1,0,0]=3 7564 B14R0.179 CCCCCC(=O)COCCCCCI 7a_200012148887_200012276598 [0,2,0,0,0,0|1,0,0]=3 7565 B14R0.179 CCCCCC(=O)COCCCCCN 34a_100000762737_200012276598 [0,2,0,0,0,0|1,0,0]=3 7566 B14R0.179 CCCCCC(=O)COCCCCOC 34a_100000740925_200012276598 [0,2,0,0,0,0|0,1,0]=3 7567 B14R0.179 CCCCCC(=O)COCCCCSC 34a_100011217163_200012276598 [0,2,0,0,0,0|0,0,0]=2 7568 B14R0.179 CCCCCC(=O)COCCCCSC 7a_100011217163_200012276598 [0,2,0,0,0,0|0,0,0]=2 7569 B14R0.179 CCCCCC(=O)COCCCOCC 34a_100000757476_200012276598 [0,2,0,0,0,0|0,1,0]=3 7570 B14R0.179 CCCCCC(=O)COCCCOCC 7a_100000757476_200012276598 [0,2,0,0,0,0|0,1,0]=3 7571 B14R0.179 CCCCCC(=O)COCCCSCC 34a_100011216438_200012276598 [0,2,0,0,0,0|0,0,0]=2 7572 B14R0.179 CCCCCC(=O)COCCCSCC 7a_100011216438_200012276598 [0,2,0,0,0,0|0,0,0]=2 7573 B14R0.179 CCCCCC(=O)COCCOCCBr 34a_100000692535_200012276598 [0,2,0,0,0,0|2,0,0]=4 7574 B14R0.179 CCCCCC(=O)COCCOCCBr 7a_100000692535_200012276598 [0,2,0,0,0,0|2,0,0]=4 7575 B14R0.179 CCCCCC(=O)COCCOCCC 34a_100000752267_200012276598 [0,2,0,0,0,0|1,0,0]=3 7576 B14R0.179 CCCCCC(=O)COCCOCCC 7a_100000752267_200012276598 [0,2,0,0,0,0|1,0,0]=3 7577 B14R0.179 CCCCCC(=O)COCCOCCCl 34a_100011215305_200012276598 [0,2,0,0,0,0|2,0,0]=4 7578 B14R0.179 CCCCCC(=O)COCCOCCCl 7a_100011215305_200012276598 [0,2,0,0,0,0|2,0,0]=4 7579 B14R0.179 CCCCCC(=O)COCCOCCF 34a_200015357709_200012276598 [0,2,0,0,0,0|2,0,0]=4 7580 B14R0.179 CCCCCC(=O)COCCOCCF 7a_200015357709_200012276598 [0,2,0,0,0,0|2,0,0]=4 7581 B14R0.179 CCCCCC(=O)COCCOCCI 34a_100012149058_200012276598 [0,2,0,0,0,0|2,0,0]=4 7582 B14R0.179 CCCCCC(=O)COCCOCCI 7a_100012149058_200012276598 [0,2,0,0,0,0|2,0,0]=4 7583 B14R0.179 CCCCCC(=O)COCCOCCN 34a_100000211614_200012276598 [0,2,0,0,0,0|2,0,0]=4 7584 B14R0.179 CCCCCC(=O)COCCOCCO 1458a_106645077154_100000210326 [0,2,0,0,0,0|2,0,0]=4 7585 B14R0.179 CCCCCC(=O)COCCSCCC 34a_200000230433_200012276598 [0,2,0,0,0,0|1,0,0]=3 7586 B14R0.179 CCCCCC(=O)COCCSCCC 7a_200000230433_200012276598 [0,2,0,0,0,0|1,0,0]=3 7587 B14R0.179 CCCCCC(=O)CSCCCCCF 62a_100000729378_200012276598 [0,2,0,0,0,0|1,1,0]=4 7588 B14R0.179 CCCCCC(=O)CSCCCCCF 62a_200012276598_100000729378 [0,2,0,0,0,0|1,1,0]=4 7589 B14R0.179 CCCCCC(=O)CSCCCCCO 62a_100000746330_200012276598 [0,2,0,0,0,0|1,1,0]=4 7590 B14R0.179 CCCCCC(=O)CSCCCCCO 62a_200012276598_100000746330 [0,2,0,0,0,0|1,1,0]=4 7591 B14R0.179 CCCCCC(=O)CSCCCCOC 62a_100000730899_200012276598 [0,2,0,0,0,0|0,2,0]=4 7592 B14R0.179 CCCCCC(=O)CSCCCCOC 62a_200012276598_100000730899 [0,2,0,0,0,0|0,2,0]=4 7593 B14R0.179 CCCCCC(=O)CSCCCOCC 62a_100012232248_200012276598 [0,2,0,0,0,0|0,2,0]=4 7594 B14R0.179 CCCCCC(=O)CSCCCOCC 62a_200012276598_100012232248 [0,2,0,0,0,0|0,2,0]=4 7595 B14R0.179 CCCCCC(=O)CSCCOCCC 62a_100011215938_200012276598 [0,2,0,0,0,0|1,1,0]=4 7596 B14R0.179 CCCCCC(=O)CSCCOCCC 62a_200012276598_100011215938 [0,2,0,0,0,0|1,1,0]=4 7597 B14R0.179 CCCCCC(=O)CSCOCCCC 62a_100011995733_200012276598 [0,2,0,0,0,0|1,1,0]=4 7598 B14R0.179 CCCCCC(=O)CSCOCCCC 62a_200012276598_100011995733 [0,2,0,0,0,0|1,1,0]=4 7599 B14R0.179 CCCCCC(=O)CSCOCCOC 62a_100000231047_200012276598 [0,2,0,0,0,0|0,2,0]=4 7600 B14R0.179 CCCCCC(=O)CSCOCCOC 62a_200012276598_100000231047 [0,2,0,0,0,0|0,2,0]=4 7601 B14R0.179 CCCCCC(=O)NCCCCCC#N 11a_100000061152_100000212188 [0,2,0,0,0,0|2,0,0]=4 7602 B14R0.179 CCCCCC(=O)NCCCCCC#N 1626a_100000061152_100000212188 [0,2,0,0,0,0|2,0,0]=4 7603 B14R0.179 CCCCCC(=O)NCCCCCC#N 240690a_100000061152_100000212188 [0,2,0,0,0,0|2,0,0]=4 7604 B14R0.179 CCCCCC(=O)NCCCCCC#N 527a_100000061152_100000212188 [0,2,0,0,0,0|2,0,0]=4 7605 B14R0.179 CCCCCC(=O)NCCCCCCO 240690a_100000686447_100000212188 [0,2,0,0,0,0|2,0,0]=4 7606 B14R0.179 CCCCCC(=O)NCCCCCCO 527a_100000686447_100000212188 [0,2,0,0,0,0|2,0,0]=4 7607 B14R0.179 CCCCCC(=O)NCCCCCOC 11a_100000747528_100000212188 [0,2,0,0,0,0|1,1,0]=4 7608 B14R0.179 CCCCCC(=O)NCCCCCOC 1626a_100000747528_100000212188 [0,2,0,0,0,0|1,1,0]=4 7609 B14R0.179 CCCCCC(=O)NCCCCCOC 240690a_100000747528_100000212188 [0,2,0,0,0,0|1,1,0]=4 7610 B14R0.179 CCCCCC(=O)NCCCCCOC 527a_100000747528_100000212188 [0,2,0,0,0,0|1,1,0]=4 7611 B14R0.179 CCCCCC(=O)NCCCOCCC 1626a_100011217757_100000212188 [0,2,0,0,0,0|1,1,0]=4 7612 B14R0.179 CCCCCC(=O)NCCCOCCC 240690a_100011217757_100000212188 [0,2,0,0,0,0|1,1,0]=4 7613 B14R0.179 CCCCCC(=O)NCCCOCCC 527a_100011217757_100000212188 [0,2,0,0,0,0|1,1,0]=4 7614 B14R0.179 CCCCCC(=O)NCCOCCOC 11a_100000745349_100000212188 [0,2,0,0,0,0|1,1,0]=4 7615 B14R0.179 CCCCCC(=O)NCCOCCOC 1626a_100000745349_100000212188 [0,2,0,0,0,0|1,1,0]=4 7616 B14R0.179 CCCCCC(=O)NCCOCCOC 240690a_100000745349_100000212188 [0,2,0,0,0,0|1,1,0]=4 7617 B14R0.179 CCCCCC(=O)NCCOCCOC 527a_100000745349_100000212188 [0,2,0,0,0,0|1,1,0]=4 7618 B14R0.179 CCCCCC(=O)NCCSCCCC 11a_100025743550_100000212188 [0,2,0,0,0,0|2,0,0]=4 7619 B14R0.179 CCCCCC(=O)NCCSCCCC 1626a_100025743550_100000212188 [0,2,0,0,0,0|2,0,0]=4 7620 B14R0.179 CCCCCC(=O)NCCSCCCC 240690a_100025743550_100000212188 [0,2,0,0,0,0|2,0,0]=4 7621 B14R0.179 CCCCCC(=O)NCCSCCCC 527a_100025743550_100000212188 [0,2,0,0,0,0|2,0,0]=4 7622 B14R0.179 CCCCCC=NNC(=O)CCCCC 4a_100000189784_100000737632 [0,2,0,0,0,0|2,0,0]=4 7623 B14R0.179 CCCCCCC=CC(=O)CCCCC 1458a_200015324643_100000210326 [0,2,0,0,0,0|2,0,0]=4 7624 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000210188_100000210326 [0,2,0,0,0,0|2,0,0]=4 7625 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210759 [0,2,0,0,0,0|2,0,0]=4 7626 B14R0.179 CCCCCCCNC(=O)CCCCC 11a_100000229938_100000212188 [0,2,0,0,0,0|2,0,0]=4 7627 B14R0.179 CCCCCCCNC(=O)CCCCC 1626a_100000229938_100000212188 [0,2,0,0,0,0|2,0,0]=4 7628 B14R0.179 CCCCCCCNC(=O)CCCCC 240690a_100000229938_100000212188 [0,2,0,0,0,0|2,0,0]=4 7629 B14R0.179 CCCCCCCNC(=O)CCCCC 527a_100000229938_100000212188 [0,2,0,0,0,0|2,0,0]=4 7630 B14R0.179 CCCCCCNCC(=O)CCCCC 2230a_100000210581_200012276598 [0,2,0,0,0,0|2,0,0]=4 7631 B14R0.179 CCCCCCOCC(=O)CCCCC 34a_100000210259_200012276598 [0,2,0,0,0,0|1,0,0]=3 7632 B14R0.179 CCCCCCOCC(=O)CCCCC 7a_100000210259_200012276598 [0,2,0,0,0,0|1,0,0]=3 7633 B14R0.179 CCCCCCOCC(=O)NCCCC 34a_100000210259_100000182744 [0,2,0,0,0,0|2,0,0]=4 7634 B14R0.179 CCCCCCOCC(=O)NCCCC 7a_100000210259_100000182744 [0,2,0,0,0,0|2,0,0]=4 7635 B14R0.179 CCCCCCOCC(=O)OCCCC 34a_100000210259_100000211628 [0,2,0,0,0,0|2,0,0]=4 7636 B14R0.179 CCCCCCOCC(=O)OCCCC 7a_100000210259_100000211628 [0,2,0,0,0,0|2,0,0]=4 7637 B14R0.179 CCCCCCSCC(=O)CCCCC 62a_100000210314_200012276598 [0,2,0,0,0,0|1,1,0]=4 7638 B14R0.179 CCCCCCSCC(=O)CCCCC 62a_200012276598_100000210757 [0,2,0,0,0,0|1,1,0]=4 7639 B14R0.179 CCCCNC(=O)COCCCCCBr 34a_100000746331_100000182744 [0,2,0,0,0,0|2,0,0]=4 7640 B14R0.179 CCCCNC(=O)COCCCCCBr 7a_100000746331_100000182744 [0,2,0,0,0,0|2,0,0]=4 7641 B14R0.179 CCCCNC(=O)COCCCCCCl 34a_100000746330_100000182744 [0,2,0,0,0,0|2,0,0]=4 7642 B14R0.179 CCCCNC(=O)COCCCCCCl 7a_100000746330_100000182744 [0,2,0,0,0,0|2,0,0]=4 7643 B14R0.179 CCCCNC(=O)COCCCCCI 34a_200012148887_100000182744 [0,2,0,0,0,0|2,0,0]=4 7644 B14R0.179 CCCCNC(=O)COCCCCCI 7a_200012148887_100000182744 [0,2,0,0,0,0|2,0,0]=4 7645 B14R0.179 CCCCNC(=O)COCCCCCN 34a_100000762737_100000182744 [0,2,0,0,0,0|2,0,0]=4 7646 B14R0.179 CCCCNC(=O)COCCCCOC 34a_100000740925_100000182744 [0,2,0,0,0,0|1,1,0]=4 7647 B14R0.179 CCCCNC(=O)COCCCCSC 34a_100011217163_100000182744 [0,2,0,0,0,0|1,0,0]=3 7648 B14R0.179 CCCCNC(=O)COCCCCSC 7a_100011217163_100000182744 [0,2,0,0,0,0|1,0,0]=3 7649 B14R0.179 CCCCNC(=O)COCCCOCC 34a_100000757476_100000182744 [0,2,0,0,0,0|1,1,0]=4 7650 B14R0.179 CCCCNC(=O)COCCCOCC 7a_100000757476_100000182744 [0,2,0,0,0,0|1,1,0]=4 7651 B14R0.179 CCCCNC(=O)COCCCSCC 34a_100011216438_100000182744 [0,2,0,0,0,0|1,0,0]=3 7652 B14R0.179 CCCCNC(=O)COCCCSCC 7a_100011216438_100000182744 [0,2,0,0,0,0|1,0,0]=3 7653 B14R0.179 CCCCNC(=O)COCCOCCC 34a_100000752267_100000182744 [0,2,0,0,0,0|2,0,0]=4 7654 B14R0.179 CCCCNC(=O)COCCOCCC 7a_100000752267_100000182744 [0,2,0,0,0,0|2,0,0]=4 7655 B14R0.179 CCCCNC(=O)COCCSCCC 34a_200000230433_100000182744 [0,2,0,0,0,0|2,0,0]=4 7656 B14R0.179 CCCCNC(=O)COCCSCCC 7a_200000230433_100000182744 [0,2,0,0,0,0|2,0,0]=4 7657 B14R0.179 CCCCOC(=O)COCCCCCBr 34a_100000746331_100000211628 [0,2,0,0,0,0|2,0,0]=4 7658 B14R0.179 CCCCOC(=O)COCCCCCBr 7a_100000746331_100000211628 [0,2,0,0,0,0|2,0,0]=4 7659 B14R0.179 CCCCOC(=O)COCCCCCCl 34a_100000746330_100000211628 [0,2,0,0,0,0|2,0,0]=4 7660 B14R0.179 CCCCOC(=O)COCCCCCCl 7a_100000746330_100000211628 [0,2,0,0,0,0|2,0,0]=4 7661 B14R0.179 CCCCOC(=O)COCCCCCI 34a_200012148887_100000211628 [0,2,0,0,0,0|2,0,0]=4 7662 B14R0.179 CCCCOC(=O)COCCCCCI 7a_200012148887_100000211628 [0,2,0,0,0,0|2,0,0]=4 7663 B14R0.179 CCCCOC(=O)COCCCCCN 34a_100000762737_100000211628 [0,2,0,0,0,0|2,0,0]=4 7664 B14R0.179 CCCCOC(=O)COCCCCOC 34a_100000740925_100000211628 [0,2,0,0,0,0|1,1,0]=4 7665 B14R0.179 CCCCOC(=O)COCCCCSC 34a_100011217163_100000211628 [0,2,0,0,0,0|1,0,0]=3 7666 B14R0.179 CCCCOC(=O)COCCCCSC 7a_100011217163_100000211628 [0,2,0,0,0,0|1,0,0]=3 7667 B14R0.179 CCCCOC(=O)COCCCOCC 34a_100000757476_100000211628 [0,2,0,0,0,0|1,1,0]=4 7668 B14R0.179 CCCCOC(=O)COCCCOCC 7a_100000757476_100000211628 [0,2,0,0,0,0|1,1,0]=4 7669 B14R0.179 CCCCOC(=O)COCCCSCC 34a_100011216438_100000211628 [0,2,0,0,0,0|1,0,0]=3 7670 B14R0.179 CCCCOC(=O)COCCCSCC 7a_100011216438_100000211628 [0,2,0,0,0,0|1,0,0]=3 7671 B14R0.179 CCCCOC(=O)COCCOCCC 34a_100000752267_100000211628 [0,2,0,0,0,0|2,0,0]=4 7672 B14R0.179 CCCCOC(=O)COCCOCCC 7a_100000752267_100000211628 [0,2,0,0,0,0|2,0,0]=4 7673 B14R0.179 CCCCOC(=O)COCCSCCC 34a_200000230433_100000211628 [0,2,0,0,0,0|2,0,0]=4 7674 B14R0.179 CCCCOC(=O)COCCSCCC 7a_200000230433_100000211628 [0,2,0,0,0,0|2,0,0]=4 7675 B14R0.179 CCSCCCOCC(=O)NCCOC 34a_100011216438_100000183275 [0,2,0,0,0,0|2,0,0]=4 7676 B14R0.179 CCSCCCOCC(=O)NCCOC 7a_100011216438_100000183275 [0,2,0,0,0,0|2,0,0]=4 7677 B14R0.179 CCSCCCOCC(=O)OCCOC 34a_100011216438_200000040189 [0,2,0,0,0,0|2,0,0]=4 7678 B14R0.179 CCSCCCOCC(=O)OCCOC 7a_100011216438_200000040189 [0,2,0,0,0,0|2,0,0]=4 7679 B14R0.179 COCCNC(=O)COCCCCSC 34a_100011217163_100000183275 [0,2,0,0,0,0|2,0,0]=4 7680 B14R0.179 COCCNC(=O)COCCCCSC 7a_100011217163_100000183275 [0,2,0,0,0,0|2,0,0]=4 7681 B14R0.179 COCCOC(=O)COCCCCSC 34a_100011217163_200000040189 [0,2,0,0,0,0|2,0,0]=4 7682 B14R0.179 COCCOC(=O)COCCCCSC 7a_100011217163_200000040189 [0,2,0,0,0,0|2,0,0]=4 7683 B14R0.231 CC(=O)SCCCCC(=O)CCCCO 1458a_100000695505_200010402107 [0,2,0,0,0,0|2,0,0]=4 7684 B14R0.231 CCCCCC(=O)CCCCCC(C)C 1458a_100000212188_100000210682 [0,2,0,0,0,0|2,0,0]=4 7685 B14R0.231 CCCCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210326 [0,2,0,0,0,0|2,0,0]=4 7686 B14R0.231 CCCCCC(=O)CCCCOC(=O)C 1458a_100000212188_100000033659 [0,2,0,0,0,0|1,1,0]=4 7687 B14R0.231 CCCCCC(=O)CCCCSC(=O)C 1458a_100000212188_200010402107 [0,2,0,0,0,0|1,0,0]=3 7688 B14R0.231 CCCCCC(=O)CNCCCC(C)C 2230a_200000737386_200012276598 [0,2,0,0,0,0|2,0,0]=4 7689 B14R0.231 CCCCCC(=O)CNCCCC(C)C 34a_200000737386_200012276598 [0,2,0,0,0,0|2,0,0]=4 7690 B14R0.231 CCCCCC(=O)CNCCCS(=O)C 2230a_200000753449_200012276598 [0,2,0,0,0,0|1,0,1]=4 7691 B14R0.231 CCCCCC(=O)CNCCSC(C)C 2230a_100000731138_200012276598 [0,2,0,0,0,0|2,0,0]=4 7692 B14R0.231 CCCCCC(=O)CNCCSC(C)C 34a_100000731138_200012276598 [0,2,0,0,0,0|2,0,0]=4 7693 B14R0.231 CCCCCC(=O)COCCCC(=O)C 34a_100000759063_200012276598 [0,2,0,0,0,0|1,0,0]=3 7694 B14R0.231 CCCCCC(=O)COCCCC(=O)C 7a_100000759063_200012276598 [0,2,0,0,0,0|1,0,0]=3 7695 B14R0.231 CCCCCC(=O)COCCCC(C)C 34a_100000210774_200012276598 [0,2,0,0,0,0|1,0,0]=3 7696 B14R0.231 CCCCCC(=O)COCCCC(C)C 7a_100000210774_200012276598 [0,2,0,0,0,0|1,0,0]=3 7697 B14R0.231 CCCCCC(=O)COCCC[N+](=O)[O-] 34a_200000037920_200012276598 [0,2,0,0,0,0|2,0,0]=4 7698 B14R0.231 CCCCCC(=O)COCCNC(=O)C 34a_100000158858_200012276598 [0,2,0,0,0,0|2,0,0]=4 7699 B14R0.231 CCCCCC(=O)COCCNC(C)C 34a_100000224655_200012276598 [0,2,0,0,0,0|2,0,0]=4 7700 B14R0.231 CCCCCC(=O)COCCOC(C)C 34a_100000211219_200012276598 [0,2,0,0,0,0|2,0,0]=4 7701 B14R0.231 CCCCCC(=O)COCCOC(C)C 7a_100000211219_200012276598 [0,2,0,0,0,0|2,0,0]=4 7702 B14R0.231 CCCCCC(=O)COCCSC(C)C 34a_200011212901_200012276598 [0,2,0,0,0,0|2,0,0]=4 7703 B14R0.231 CCCCCC(=O)COCCSC(C)C 7a_200011212901_200012276598 [0,2,0,0,0,0|2,0,0]=4 7704 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_100011215641_200012276598 [0,2,0,0,0,0|1,1,0]=4 7705 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_200012276598_100011215641 [0,2,0,0,0,0|1,1,0]=4 7706 B14R0.231 CCCCCC(=O)CSCCCC(C)C 62a_100011214892_200012276598 [0,2,0,0,0,0|1,1,0]=4 7707 B14R0.231 CCCCCC(=O)CSCCCC(C)C 62a_200012276598_100011214892 [0,2,0,0,0,0|1,1,0]=4 7708 B14R0.231 CCCCCC(=O)CSCCCC(C)O 62a_200000718107_200012276598 [0,2,0,0,0,0|1,1,0]=4 7709 B14R0.231 CCCCCC(=O)CSCCCC(C)O 62a_200012276598_200000718107 [0,2,0,0,0,0|1,1,0]=4 7710 B14R0.231 CCCCCC(=O)CSCCCN(C)C 62a_200012276598_100000757444 [0,2,0,0,0,0|1,1,0]=4 7711 B14R0.231 CCCCCC(=O)CSCCSC(C)C 62a_100000730970_200012276598 [0,2,0,0,0,0|2,0,0]=4 7712 B14R0.231 CCCCCC(=O)CSCCSC(C)C 62a_200012276598_100000730970 [0,2,0,0,0,0|2,0,0]=4 7713 B14R0.231 CCCCCC(=O)NCCCCN(C)C 240690a_100025707445_100000212188 [0,2,0,0,0,0|2,0,0]=4 7714 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000212188 [0,2,0,0,0,0|2,0,0]=4 7715 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000212188 [0,2,0,0,0,0|2,0,0]=4 7716 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 527a_100000736810_100000212188 [0,2,0,0,0,0|2,0,0]=4 7717 B14R0.231 CCCCCC(=O)NCCCOC(C)C 11a_100000737246_100000212188 [0,2,0,0,0,0|1,1,0]=4 7718 B14R0.231 CCCCCC(=O)NCCCOC(C)C 1626a_100000737246_100000212188 [0,2,0,0,0,0|1,1,0]=4 7719 B14R0.231 CCCCCC(=O)NCCCOC(C)C 240690a_100000737246_100000212188 [0,2,0,0,0,0|1,1,0]=4 7720 B14R0.231 CCCCCC(=O)NCCCOC(C)C 527a_100000737246_100000212188 [0,2,0,0,0,0|1,1,0]=4 7721 B14R0.231 CCCCCC(C)OCCCSC(=O)C 34a_100011215632_100000038929 [0,2,0,0,0,0|1,0,1]=4 7722 B14R0.231 CCCCCC(C)OCCCSC(=O)C 7a_100011215632_100000038929 [0,2,0,0,0,0|1,0,1]=4 7723 B14R0.231 CCCCNC(=O)COCCCC(=O)C 34a_100000759063_100000182744 [0,2,0,0,0,0|2,0,0]=4 7724 B14R0.231 CCCCNC(=O)COCCCC(=O)C 7a_100000759063_100000182744 [0,2,0,0,0,0|2,0,0]=4 7725 B14R0.231 CCCCNC(=O)COCCCC(C)C 34a_100000210774_100000182744 [0,2,0,0,0,0|2,0,0]=4 7726 B14R0.231 CCCCNC(=O)COCCCC(C)C 7a_100000210774_100000182744 [0,2,0,0,0,0|2,0,0]=4 7727 B14R0.231 CCCCOC(=O)COCCCC(=O)C 34a_100000759063_100000211628 [0,2,0,0,0,0|2,0,0]=4 7728 B14R0.231 CCCCOC(=O)COCCCC(=O)C 7a_100000759063_100000211628 [0,2,0,0,0,0|2,0,0]=4 7729 B14R0.231 CCCCOC(=O)COCCCC(C)C 34a_100000210774_100000211628 [0,2,0,0,0,0|2,0,0]=4 7730 B14R0.231 CCCCOC(=O)COCCCC(C)C 7a_100000210774_100000211628 [0,2,0,0,0,0|2,0,0]=4 7731 B14R0.231 CCCOCC(=O)CCCCSC(=O)C 1458a_100000745993_200010402107 [0,2,0,0,0,0|2,0,0]=4 7732 B14R0.231 CCCSCC(=O)CCCCSC(=O)C 1458a_100000217233_200010402107 [0,2,0,0,0,0|2,0,0]=4 7733 B14R0.231 CCOCCC(=O)CCCCSC(=O)C 1458a_100000749530_200010402107 [0,2,0,0,0,0|2,0,0]=4 7734 B14R0.231 CCSCCC(=O)CCCCSC(=O)C 1458a_100000230768_200010402107 [0,2,0,0,0,0|2,0,0]=4 7735 B14R0.231 COCCCC(=O)CCCCSC(=O)C 1458a_100000741012_200010402107 [0,2,0,0,0,0|2,0,0]=4 7736 B14R0.231 CSCCCC(=O)CCCCSC(=O)C 1458a_100000173376_200010402107 [0,2,0,0,0,0|2,0,0]=4 7737 B14R0.1095 CCCCC(C)C(=O)CCCCCCF 1458a_100000725509_100015922095 [0,2,0,0,0,0|2,0,0]=4 7738 B14R0.1095 CCCCC(C)C(=O)CCCCCCO 1458a_100000725509_100000766143 [0,2,0,0,0,0|2,0,0]=4 7739 B14R0.1095 CCCCC(C)C(=O)CCCCCCO 1458a_100011996774_200011215066 [0,2,0,0,0,0|2,0,0]=4 7740 B14R0.1095 CCCCC(C)C(=O)CCCCCOC 1458a_100011935119_200011215066 [0,2,0,0,0,0|1,1,0]=4 7741 B14R0.1095 CCCCC(C)C(=O)CCOCCOC 1458a_100000725509_100000695917 [0,2,0,0,0,0|1,1,0]=4 7742 B14R0.1095 CCCCC(C)C(=O)CCOCCOC 1458a_100000745395_200011215066 [0,2,0,0,0,0|1,1,0]=4 7743 B14R0.1095 CCCCC(C)C(=O)NCCCCCO 240690a_100000762737_100000725509 [0,2,0,0,0,0|2,0,0]=4 7744 B14R0.1095 CCCCC(C)C(=O)NCCCOCC 11a_100000210961_100000725509 [0,2,0,0,0,0|1,1,0]=4 7745 B14R0.1095 CCCCC(C)C(=O)NCCCOCC 1626a_100000210961_100000725509 [0,2,0,0,0,0|1,1,0]=4 7746 B14R0.1095 CCCCC(C)C(=O)NCCCOCC 240690a_100000210961_100000725509 [0,2,0,0,0,0|1,1,0]=4 7747 B14R0.1095 CCCCC(C)C(=O)NCCCOCC 527a_100000210961_100000725509 [0,2,0,0,0,0|1,1,0]=4 7748 B14R0.1095 CCCCC(C)C(=O)NCCOCCC 1626a_100161115042_100000725509 [0,2,0,0,0,0|2,0,0]=4 7749 B14R0.1095 CCCCC(C)C(=O)NCCOCCC 240690a_100161115042_100000725509 [0,2,0,0,0,0|2,0,0]=4 7750 B14R0.1095 CCCCC(C)C(=O)NCCOCCC 527a_100161115042_100000725509 [0,2,0,0,0,0|2,0,0]=4 7751 B14R0.1095 CCCCC(C)C(=O)NCCSCCC 11a_100020603323_100000725509 [0,2,0,0,0,0|2,0,0]=4 7752 B14R0.1095 CCCCC(C)C(=O)NCCSCCC 240690a_100020603323_100000725509 [0,2,0,0,0,0|2,0,0]=4 7753 B14R0.1095 CCCCC(C)C(=O)NCCSCCC 527a_100020603323_100000725509 [0,2,0,0,0,0|2,0,0]=4 7754 B14R0.1095 CCCCC(C)C(=O)NNCCCOC 22a_100025702787_100000725509 [0,2,0,0,0,0|1,1,0]=4 7755 B14R0.1095 CCCCC(O)C(=O)CCCCCCF 1458a_100000720857_100015922095 [0,2,0,0,0,0|2,0,0]=4 7756 B14R0.1095 CCCCC(O)C(=O)CCCCCCO 1458a_100000720857_100000766143 [0,2,0,0,0,0|2,0,0]=4 7757 B14R0.1095 CCCCC(O)C(=O)CCOCCOC 1458a_100000720857_100000695917 [0,2,0,0,0,0|1,1,0]=4 7758 B14R0.1095 CCCCC(O)C(=O)NCCCCCO 240690a_100000762737_100000720857 [0,2,0,0,0,0|2,0,0]=4 7759 B14R0.1095 CCCCC(O)C(=O)NCCCOCC 240690a_100000210961_100000720857 [0,2,0,0,0,0|1,1,0]=4 7760 B14R0.1095 CCCCC(O)C(=O)NCCCOCC 527a_100000210961_100000720857 [0,2,0,0,0,0|1,1,0]=4 7761 B14R0.1095 CCCCC(O)C(=O)NCCOCCC 240690a_100161115042_100000720857 [0,2,0,0,0,0|2,0,0]=4 7762 B14R0.1095 CCCCC(O)C(=O)NCCOCCC 527a_100161115042_100000720857 [0,2,0,0,0,0|2,0,0]=4 7763 B14R0.1095 CCCCC(O)C(=O)NCCSCCC 240690a_100020603323_100000720857 [0,2,0,0,0,0|2,0,0]=4 7764 B14R0.1095 CCCCC(O)C(=O)NCCSCCC 527a_100020603323_100000720857 [0,2,0,0,0,0|2,0,0]=4 7765 B14R0.1095 CCCCC(O)C(=O)NNCCCOC 22a_100025702787_100000720857 [0,2,0,0,0,0|1,1,0]=4 7766 B14R0.1095 CCCCCC#CC(=O)C(C)CCCC 1458a_100011215388_200011215066 [0,2,0,0,0,0|2,0,0]=4 7767 B14R0.1095 CCCCCC=CC(=O)C(C)CCCC 1458a_100016263427_200011215066 [0,2,0,0,0,0|2,0,0]=4 7768 B14R0.1095 CCCCCCCC(=O)C(C)CCCC 1458a_100000211969_200011215066 [0,2,0,0,0,0|2,0,0]=4 7769 B14R0.1095 CCCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210614 [0,2,0,0,0,0|2,0,0]=4 7770 B14R0.1095 CCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210614 [0,2,0,0,0,0|2,0,0]=4 7771 B14R0.1095 CCCCCCNC(=O)C(C)CCCC 11a_100000210581_100000725509 [0,2,0,0,0,0|2,0,0]=4 7772 B14R0.1095 CCCCCCNC(=O)C(C)CCCC 1626a_100000210581_100000725509 [0,2,0,0,0,0|2,0,0]=4 7773 B14R0.1095 CCCCCCNC(=O)C(C)CCCC 240690a_100000210581_100000725509 [0,2,0,0,0,0|2,0,0]=4 7774 B14R0.1095 CCCCCCNC(=O)C(C)CCCC 527a_100000210581_100000725509 [0,2,0,0,0,0|2,0,0]=4 7775 B14R0.1095 CCCCCCNC(=O)C(O)CCCC 240690a_100000210581_100000720857 [0,2,0,0,0,0|2,0,0]=4 7776 B14R0.1095 CCCCCCNC(=O)C(O)CCCC 527a_100000210581_100000720857 [0,2,0,0,0,0|2,0,0]=4 7777 B14R0.1095 CCCCCNNC(=O)C(C)CCCC 22a_100000694160_100000725509 [0,2,0,0,0,0|2,0,0]=4 7778 B14R0.1095 CCCCCNNC(=O)C(O)CCCC 22a_100000694160_100000720857 [0,2,0,0,0,0|2,0,0]=4 7779 B14R0.1095 CCCCCOCC(=O)N(C)CCCC 34a_100000210253_100000230175 [0,2,0,0,0,0|2,0,0]=4 7780 B14R0.1095 CCCCCOCC(=O)N(C)CCCC 7a_100000210253_100000230175 [0,2,0,0,0,0|2,0,0]=4 7781 B14R0.1095 CCCCN(C)C(=O)CNCCCSC 2230a_100000749238_100000230175 [0,2,0,0,0,0|2,0,0]=4 7782 B14R0.1095 CCCCN(C)C(=O)COCCCNC 34a_100000213112_100000230175 [0,2,0,0,0,0|2,0,0]=4 7783 B14R0.1095 CCCCN(C)C(=O)COCCCOC 34a_100000740835_100000230175 [0,2,0,0,0,0|1,1,0]=4 7784 B14R0.1095 CCCCN(C)C(=O)COCCCSC 34a_100000690336_100000230175 [0,2,0,0,0,0|1,0,0]=3 7785 B14R0.1095 CCCCN(C)C(=O)COCCCSC 7a_100000690336_100000230175 [0,2,0,0,0,0|1,0,0]=3 7786 B14R0.1095 CCCCOCCC(=O)C(C)CCCC 1458a_100000725509_100000743108 [0,2,0,0,0,0|2,0,0]=4 7787 B14R0.1095 CCCCOCCC(=O)C(O)CCCC 1458a_100000720857_100000743108 [0,2,0,0,0,0|2,0,0]=4 7788 B14R0.201 CCC(CC)CNC(=O)NCCCSC 2708a_100000749238_100102946423 [0,2,0,0,0,0|2,0,0]=4 7789 B14R0.201 CCC(CC)CNC(=O)NCCCSC 2708a_100102946423_100000749238 [0,2,0,0,0,0|2,0,0]=4 7790 B14R0.201 CCC(CC)CNC(=O)NCCCSC 273464a_100000749238_100102946423 [0,2,0,0,0,0|2,0,0]=4 7791 B14R0.201 CCC(CC)CNC(=O)NCCCSC 273464a_100102946423_100000749238 [0,2,0,0,0,0|2,0,0]=4 7792 B14R0.201 CCC(CC)CNC(=O)NCCCSC 512a_100000749238_100102946423 [0,2,0,0,0,0|2,0,0]=4 7793 B14R0.201 CCC(CC)CNC(=O)NCCCSC 512a_100102946423_100000749238 [0,2,0,0,0,0|2,0,0]=4 7794 B14R0.201 CCC(CC)OCC(=O)NCCCSC 11a_100000749238_100012002705 [0,2,0,0,0,0|2,0,0]=4 7795 B14R0.201 CCC(CC)OCC(=O)NCCCSC 1626a_100000749238_100012002705 [0,2,0,0,0,0|2,0,0]=4 7796 B14R0.201 CCC(CC)OCC(=O)NCCCSC 240690a_100000749238_100012002705 [0,2,0,0,0,0|2,0,0]=4 7797 B14R0.201 CCC(CC)OCC(=O)NCCCSC 527a_100000749238_100012002705 [0,2,0,0,0,0|2,0,0]=4 7798 B14R0.201 CCC(CNC(=O)NCCCSC)OC 2708a_100000731041_100000749238 [0,2,0,0,0,0|2,0,0]=4 7799 B14R0.201 CCC(CNC(=O)NCCCSC)OC 2708a_100000749238_100000731041 [0,2,0,0,0,0|2,0,0]=4 7800 B14R0.201 CCC(CNC(=O)NCCCSC)OC 273464a_100000731041_100000749238 [0,2,0,0,0,0|2,0,0]=4 7801 B14R0.201 CCC(CNC(=O)NCCCSC)OC 273464a_100000749238_100000731041 [0,2,0,0,0,0|2,0,0]=4 7802 B14R0.201 CCC(CNC(=O)NCCCSC)OC 512a_100000731041_100000749238 [0,2,0,0,0,0|2,0,0]=4 7803 B14R0.201 CCC(CNC(=O)NCCCSC)OC 512a_100000749238_100000731041 [0,2,0,0,0,0|2,0,0]=4 7804 B14R0.201 CCN(CC)CCC(=O)NCCCSC 11a_100000749238_100000750416 [0,2,0,0,0,0|2,0,0]=4 7805 B14R0.201 CCN(CC)CCC(=O)NCCCSC 240690a_100000749238_100000750416 [0,2,0,0,0,0|2,0,0]=4 7806 B14R0.201 COC(CCC(=O)NCCCSC)OC 11a_100000749238_200000082759 [0,2,0,0,0,0|2,0,0]=4 7807 B14R0.201 COC(CCC(=O)NCCCSC)OC 1626a_100000749238_200000082759 [0,2,0,0,0,0|2,0,0]=4 7808 B14R0.201 COC(CCC(=O)NCCCSC)OC 240690a_100000749238_200000082759 [0,2,0,0,0,0|2,0,0]=4 7809 B14R0.201 COC(CCC(=O)NCCCSC)OC 527a_100000749238_200000082759 [0,2,0,0,0,0|2,0,0]=4 7810 B14R0.341 CCC(C)CN(C)C(=O)NCCCSC 2708a_100000749238_100000753921 [0,2,0,0,0,0|2,0,0]=4 7811 B14R0.341 CCC(C)CN(C)C(=O)NCCCSC 273464a_100000749238_100000753921 [0,2,0,0,0,0|2,0,0]=4 7812 B14R0.341 CCN(C)CC(C)C(=O)NCCCSC 11a_100000749238_200015185930 [0,2,0,0,0,0|2,0,0]=4 7813 B14R0.341 CCN(C)CC(C)C(=O)NCCCSC 1626a_100000749238_200015185930 [0,2,0,0,0,0|2,0,0]=4 7814 B14R0.341 CCN(C)CC(C)C(=O)NCCCSC 240690a_100000749238_200015185930 [0,2,0,0,0,0|2,0,0]=4 7815 B14R0.2222 CCCCC(CC)C(=O)CCCCOC 1458a_100000211130_100000755781 [0,2,0,0,0,0|1,1,0]=4 7816 B14R0.2222 CCCCC(CC)C(=O)NCCCOC 1626a_100150723488_100000211130 [0,2,0,0,0,0|1,1,0]=4 7817 B14R0.2222 CCCCC(CC)C(=O)NCCCOC 240690a_100150723488_100000211130 [0,2,0,0,0,0|1,1,0]=4 7818 B14R0.2222 CCCCC(CC)C(=O)NCCCOC 527a_100150723488_100000211130 [0,2,0,0,0,0|1,1,0]=4 7819 B14R0.2222 CCCCC(CC)C(=O)NCCCSC 11a_100000749238_100000211130 [0,2,0,0,0,0|1,0,0]=3 7820 B14R0.2222 CCCCC(CC)C(=O)NCCCSC 1626a_100000749238_100000211130 [0,2,0,0,0,0|1,0,0]=3 7821 B14R0.2222 CCCCC(CC)C(=O)NCCCSC 240690a_100000749238_100000211130 [0,2,0,0,0,0|1,0,0]=3 7822 B14R0.2222 CCCCC(CC)C(=O)NCCCSC 527a_100000749238_100000211130 [0,2,0,0,0,0|1,0,0]=3 7823 B14R0.2222 CCCCCCC(=O)C(CC)CCCC 1458a_100000211130_100000210757 [0,2,0,0,0,0|2,0,0]=4 7824 B14R0.2222 CCCCCCC(=O)C(CC)CCCC 1458a_100102632555_200011216223 [0,2,0,0,0,0|2,0,0]=4 7825 B14R0.2222 CCCCCNC(=O)C(CC)CCCC 11a_100000209983_100000211130 [0,2,0,0,0,0|2,0,0]=4 7826 B14R0.2222 CCCCCNC(=O)C(CC)CCCC 1626a_100000209983_100000211130 [0,2,0,0,0,0|2,0,0]=4 7827 B14R0.2222 CCCCCNC(=O)C(CC)CCCC 240690a_100000209983_100000211130 [0,2,0,0,0,0|2,0,0]=4 7828 B14R0.2222 CCCCCNC(=O)C(CC)CCCC 527a_100000209983_100000211130 [0,2,0,0,0,0|2,0,0]=4 7829 B14R0.2222 CCCCN(CC)C(=O)NCCCSC 2708a_100000749238_100000207695 [0,2,0,0,0,0|2,0,0]=4 7830 B14R0.2222 CCCCN(CC)C(=O)NCCCSC 273464a_100000749238_100000207695 [0,2,0,0,0,0|2,0,0]=4 7831 B14R0.2435 CCCCC(C)(C)C(=O)CCCCOC 1458a_100011216040_100000755781 [0,2,0,0,0,0|1,1,0]=4 7832 B14R0.2435 CCCCC(C)(C)C(=O)NCCCOC 1626a_100150723488_100011216040 [0,2,0,0,0,0|1,1,0]=4 7833 B14R0.2435 CCCCC(C)(C)C(=O)NCCCOC 240690a_100150723488_100011216040 [0,2,0,0,0,0|1,1,0]=4 7834 B14R0.2435 CCCCC(C)(C)C(=O)NCCCOC 527a_100150723488_100011216040 [0,2,0,0,0,0|1,1,0]=4 7835 B14R0.2435 CCCCC(C)(C)C(=O)NCCCSC 11a_100000749238_100011216040 [0,2,0,0,0,0|1,0,0]=3 7836 B14R0.2435 CCCCC(C)(C)C(=O)NCCCSC 1626a_100000749238_100011216040 [0,2,0,0,0,0|1,0,0]=3 7837 B14R0.2435 CCCCC(C)(C)C(=O)NCCCSC 240690a_100000749238_100011216040 [0,2,0,0,0,0|1,0,0]=3 7838 B14R0.2435 CCCCC(C)(C)C(=O)NCCCSC 527a_100000749238_100011216040 [0,2,0,0,0,0|1,0,0]=3 7839 B14R0.2435 CCCCC(C)(O)C(=O)CCCCOC 1458a_100000137666_100000755781 [0,2,0,0,0,0|1,1,0]=4 7840 B14R0.2435 CCCCC(C)(O)C(=O)NCCCOC 240690a_100150723488_100000137666 [0,2,0,0,0,0|1,1,0]=4 7841 B14R0.2435 CCCCC(C)(O)C(=O)NCCCSC 240690a_100000749238_100000137666 [0,2,0,0,0,0|1,0,0]=3 7842 B14R0.2435 CCCCC(F)(F)C(=O)CCCCOC 1458a_100000100317_100000755781 [0,2,0,0,0,0|1,1,0]=4 7843 B14R0.2435 CCCCC(F)(F)C(=O)NCCCOC 1626a_100150723488_100000100317 [0,2,0,0,0,0|1,1,0]=4 7844 B14R0.2435 CCCCC(F)(F)C(=O)NCCCOC 240690a_100150723488_100000100317 [0,2,0,0,0,0|1,1,0]=4 7845 B14R0.2435 CCCCC(F)(F)C(=O)NCCCOC 527a_100150723488_100000100317 [0,2,0,0,0,0|1,1,0]=4 7846 B14R0.2435 CCCCC(F)(F)C(=O)NCCCSC 11a_100000749238_100000100317 [0,2,0,0,0,0|1,0,0]=3 7847 B14R0.2435 CCCCC(F)(F)C(=O)NCCCSC 1626a_100000749238_100000100317 [0,2,0,0,0,0|1,0,0]=3 7848 B14R0.2435 CCCCC(F)(F)C(=O)NCCCSC 240690a_100000749238_100000100317 [0,2,0,0,0,0|1,0,0]=3 7849 B14R0.2435 CCCCC(F)(F)C(=O)NCCCSC 527a_100000749238_100000100317 [0,2,0,0,0,0|1,0,0]=3 7850 B14R0.2435 CCCCCCC(=O)C(C)(C)CCCC 1458a_100011216040_100000210757 [0,2,0,0,0,0|2,0,0]=4 7851 B14R0.2435 CCCCCCC(=O)C(C)(O)CCCC 1458a_100000137666_100000210757 [0,2,0,0,0,0|2,0,0]=4 7852 B14R0.2435 CCCCCCC(=O)C(F)(F)CCCC 1458a_100000100317_100000210757 [0,2,0,0,0,0|2,0,0]=4 7853 B14R0.2435 CCCCCNC(=O)C(C)(C)CCCC 11a_100000209983_100011216040 [0,2,0,0,0,0|2,0,0]=4 7854 B14R0.2435 CCCCCNC(=O)C(C)(C)CCCC 1626a_100000209983_100011216040 [0,2,0,0,0,0|2,0,0]=4 7855 B14R0.2435 CCCCCNC(=O)C(C)(C)CCCC 240690a_100000209983_100011216040 [0,2,0,0,0,0|2,0,0]=4 7856 B14R0.2435 CCCCCNC(=O)C(C)(C)CCCC 527a_100000209983_100011216040 [0,2,0,0,0,0|2,0,0]=4 7857 B14R0.2435 CCCCCNC(=O)C(C)(O)CCCC 240690a_100000209983_100000137666 [0,2,0,0,0,0|2,0,0]=4 7858 B14R0.2435 CCCCCNC(=O)C(F)(F)CCCC 11a_100000209983_100000100317 [0,2,0,0,0,0|2,0,0]=4 7859 B14R0.2435 CCCCCNC(=O)C(F)(F)CCCC 1626a_100000209983_100000100317 [0,2,0,0,0,0|2,0,0]=4 7860 B14R0.2435 CCCCCNC(=O)C(F)(F)CCCC 240690a_100000209983_100000100317 [0,2,0,0,0,0|2,0,0]=4 7861 B14R0.2435 CCCCCNC(=O)C(F)(F)CCCC 527a_100000209983_100000100317 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.8 CCCCCNC1CCCSC1 270004a_100000209983_100000057913 [1,0,0,1,0,0|2,0,0]=4 7863 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [1,0,0,1,0,0|1,0,1]=4 7864 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [1,0,0,1,0,0|1,0,1]=4 7865 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [1,0,0,1,0,0|1,0,1]=4 7866 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [1,0,0,1,0,0|1,0,1]=4 7867 B12R1.8 CCCCCOC1CCCSC1 7a_100015962668_100000210326 [1,0,0,1,0,0|2,0,0]=4 7868 B12R1.8 CNCCCOC1CCCCC1 34a_100000205933_200000210301 [1,0,0,1,0,0|1,0,1]=4 7869 B12R1.8 CNCCCOC1CCCCC1 34a_100000213112_100000210327 [1,0,0,1,0,0|1,0,1]=4 7870 B12R1.8 COCCCOC1CCCCC1 34a_100000210231_100000740836 [1,0,0,1,0,0|0,1,1]=4 7871 B12R1.8 COCCCOC1CCCCC1 34a_100000740835_100000210327 [1,0,0,1,0,0|0,1,1]=4 7872 B12R1.8 COCCCOC1CCCCC1 7a_100000210231_100000740836 [1,0,0,1,0,0|0,1,1]=4 7873 B12R1.8 CSCCCNC1CCCCC1 270004a_100000749238_100000210434 [1,0,0,1,0,0|1,0,1]=4 7874 B12R1.8 CSCCCOC1CCCCC1 34a_100000690336_100000210327 [1,0,0,1,0,0|0,0,1]=3 7875 B12R1.8 CSCCCOC1CCCCC1 7a_100000690336_100000210327 [1,0,0,1,0,0|0,0,1]=3 7876 B12R1.8 CSCCCOC1CCCCO1 62a_100000700653_200000210301 [1,0,0,1,0,0|1,0,1]=4 7877 B12R1.8 CSCCCOC1CCCCO1 62a_200000210301_100000700653 [1,0,0,1,0,0|1,0,1]=4 7878 B12R1.8 CSCCCOC1CCCOC1 34a_100000690336_100000693364 [1,0,0,1,0,0|1,0,1]=4 7879 B12R1.8 CSCCCOC1CCCOC1 7a_100000690336_100000693364 [1,0,0,1,0,0|1,0,1]=4 7880 B12R1.8 CSCCCOC1CCOCC1 7a_100000690336_100000686592 [1,0,0,1,0,0|1,0,1]=4 7881 B12R1.8 CSCCCOC1CCSCC1 34a_100000690336_100000069128 [1,0,0,1,0,0|1,0,1]=4 7882 B12R1.8 CSCCCOC1CCSCC1 7a_100000690336_100011500858 [1,0,0,1,0,0|1,0,1]=4 7883 B12R1.8 CSCSCOC1CCCCC1 62a_100011218213_100011935260 [1,0,0,1,0,0|1,0,1]=4 7884 B12R1.8 CSCSCOC1CCCCC1 62a_100011935260_100011218213 [1,0,0,1,0,0|1,0,1]=4 7885 B12R1.8 [13CH3]NCCCOC1CCCCC1 34a_100000205933_200025704644 [1,0,0,1,0,0|1,0,1]=4 7886 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_100000700653_200025704644 [1,0,0,1,0,0|1,0,1]=4 7887 B12R1.8 [13CH3]SCCCOC1CCCCO1 62a_200025704644_100000700653 [1,0,0,1,0,0|1,0,1]=4 7888 B12R1.37 CCCCCCNC1CCSC1 270004a_100000210581_100000212027 [1,0,0,1,0,0|1,0,1]=4 7889 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [1,0,0,1,0,0|1,0,1]=4 7890 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [1,0,0,1,0,0|1,0,1]=4 7891 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [1,0,0,1,0,0|1,0,1]=4 7892 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [1,0,0,1,0,0|1,0,1]=4 7893 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [1,0,0,1,0,0|0,1,1]=4 7894 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [1,0,0,1,0,0|0,1,1]=4 7895 B12R1.37 CCCCCCOC1CCSC1 7a_100011232664_100000210314 [1,0,0,1,0,0|0,0,1]=3 7896 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [1,0,0,1,0,0|0,1,1]=4 7897 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [1,0,0,1,0,0|1,0,1]=4 7898 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [1,0,0,1,0,0|1,0,1]=4 7899 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [1,0,0,1,0,0|1,0,1]=4 7900 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [1,0,0,1,0,0|1,0,1]=4 7901 B12R1.37 CCCOCCOC1CCSC1 7a_100011232664_100011215938 [1,0,0,1,0,0|1,0,1]=4 7902 B12R1.37 CCOCCCOC1CCSC1 7a_100011232664_100012232248 [1,0,0,1,0,0|1,0,1]=4 7903 B12R1.37 CNCCCOCC1CCCC1 34a_100000213112_100000740388 [1,0,0,1,0,0|1,0,1]=4 7904 B12R1.37 COCCCCOC1CCSC1 7a_100011232664_100000730899 [1,0,0,1,0,0|1,0,1]=4 7905 B12R1.37 COCCCOCC1CCCC1 34a_100000740835_100000740388 [1,0,0,1,0,0|0,1,1]=4 7906 B12R1.37 COCCCOCC1CCCC1 34a_100000742336_100000740836 [1,0,0,1,0,0|0,1,1]=4 7907 B12R1.37 COCCCOCC1CCCC1 7a_100000742336_100000740836 [1,0,0,1,0,0|0,1,1]=4 7908 B12R1.37 CSCCCCOC1CCCC1 34a_100011217163_100000179811 [1,0,0,1,0,0|2,0,0]=4 7909 B12R1.37 CSCCCCOC1CCCC1 7a_100011217163_100000179811 [1,0,0,1,0,0|2,0,0]=4 7910 B12R1.37 CSCCCNCC1CCCC1 2230a_100000749238_100000740388 [1,0,0,1,0,0|1,0,1]=4 7911 B12R1.37 CSCCCNCC1CCCC1 269862a_100000749238_100000746403 [1,0,0,1,0,0|1,0,1]=4 7912 B12R1.37 CSCCCOCC1CCCC1 34a_100000690336_100000740388 [1,0,0,1,0,0|0,0,1]=3 7913 B12R1.37 CSCCCOCC1CCCC1 7a_100000690336_100000740388 [1,0,0,1,0,0|0,0,1]=3 7914 B12R1.37 CSCCCOCC1CCCO1 7a_100000690336_100000203698 [1,0,0,1,0,0|1,0,1]=4 7915 B12R1.37 CSCCCOCC1CCOC1 34a_100000690336_100011261433 [1,0,0,1,0,0|1,0,1]=4 7916 B12R1.37 CSCCCOCC1CCOC1 7a_100000690336_100000702531 [1,0,0,1,0,0|1,0,1]=4 7917 B12R1.37 FCCCCCOC1CCSC1 7a_100011232664_100000729378 [1,0,0,1,0,0|1,0,1]=4 7918 B12R1.37 OCCCCCOC1CCSC1 7a_100011232664_100000746330 [1,0,0,1,0,0|1,0,1]=4 7919 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [1,0,0,1,0,0|1,0,1]=4 7920 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [1,0,0,1,0,0|1,0,1]=4 7921 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [1,0,0,1,0,0|1,0,1]=4 7922 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [1,0,0,1,0,0|1,0,1]=4 7923 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [1,0,0,1,0,0|1,0,1]=4 7924 B12R1.272 CCCCCCOCC1CNC1 34a_100016987283_100000210314 [1,0,0,1,0,0|1,0,1]=4 7925 B12R1.272 CCCCCCOCC1COC1 34a_100000060846_100000210314 [1,0,0,1,0,0|0,1,1]=4 7926 B12R1.272 CCCCCCOCC1COC1 34a_100000210259_100010264016 [1,0,0,1,0,0|0,1,1]=4 7927 B12R1.272 CCCCCCOCC1COC1 7a_100000210259_100010264016 [1,0,0,1,0,0|0,1,1]=4 7928 B12R1.272 CSCCCCOCC1CCC1 34a_100011217163_100000763275 [1,0,0,1,0,0|2,0,0]=4 7929 B12R1.272 CSCCCCOCC1CCC1 7a_100011217163_100000763275 [1,0,0,1,0,0|2,0,0]=4 7930 B12R1.320 CCCCC1C=CCN1CSC 2230a_100015184376_100011218213 [1,0,0,1,0,0|2,0,0]=4 7931 B12R1.320 CCCCC1C=CCN1CSC 269982a_100015184376_100011218213 [1,0,0,1,0,0|2,0,0]=4 7932 B12R1.320 CCCCC1C=CCN1CSC 34a_100015184376_100011218213 [1,0,0,1,0,0|2,0,0]=4 7933 B12R1.329 CSCOC1C=CCCCCC1 34a_100000688657_100011218213 [1,0,0,1,0,0|2,0,0]=4 7934 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [1,0,0,1,0,0|1,0,1]=4 7935 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [1,0,0,1,0,0|1,0,1]=4 7936 B12R1.372 COCCCOC1CCCC1C 34a_100011216460_100000740836 [1,0,0,1,0,0|0,1,1]=4 7937 B12R1.372 COCCCOC1CCCC1C 7a_100011216460_100000740836 [1,0,0,1,0,0|0,1,1]=4 7938 B12R1.372 CSCCCNC1CCCC1C 269862a_100000749238_100000752053 [1,0,0,1,0,0|1,0,1]=4 7939 B12R1.375 CCCCCCOCCC1CC1 34a_100000210259_100000694398 [1,0,0,1,0,0|1,0,1]=4 7940 B12R1.375 CCCCCCOCCC1CC1 34a_100000754188_100000210314 [1,0,0,1,0,0|1,0,1]=4 7941 B12R1.375 CCCCCCOCCC1CC1 7a_100000210259_100000764125 [1,0,0,1,0,0|1,0,1]=4 7942 B12R1.375 CCCCCCOCCC1CC1 7a_100000754188_100000210314 [1,0,0,1,0,0|1,0,1]=4 7943 B12R1.375 CCCCCCOCCC1CO1 34a_100000210259_100000732470 [1,0,0,1,0,0|0,1,1]=4 7944 B12R1.375 CCCCCCOCCC1CO1 7a_100000210259_100000732470 [1,0,0,1,0,0|0,1,1]=4 7945 B12R1.375 CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210314 [1,0,0,1,0,0|0,1,1]=4 7946 B12R1.375 CSCCCCOCCC1CC1 34a_100011217163_100000694398 [1,0,0,1,0,0|2,0,0]=4 7947 B12R1.375 CSCCCCOCCC1CC1 7a_100011217163_100000764125 [1,0,0,1,0,0|2,0,0]=4 7948 B12R1.375 CSCCCOCCCC1CO1 34a_100000690336_100000733510 [1,0,0,1,0,0|1,0,1]=4 7949 B12R1.375 CSCCCOCCCC1CO1 7a_100000690336_100000733510 [1,0,0,1,0,0|1,0,1]=4 7950 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [1,0,0,1,0,0|2,0,0]=4 7951 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [1,0,0,1,0,0|2,0,0]=4 7952 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000210183_100000693364 [1,0,0,1,0,0|1,1,0]=4 7953 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000741522_100000210211 [1,0,0,1,0,0|1,1,0]=4 7954 B12R1.30 CCCCC(=O)N1CCCOC1 11a_100000131196_100000210183 [1,0,0,1,0,0|1,1,0]=4 7955 B12R1.30 CCCCC(=O)N1CCCOC1 240690a_100000131196_100000210183 [1,0,0,1,0,0|1,1,0]=4 7956 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [1,0,0,1,0,0|2,0,0]=4 7957 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [1,0,0,1,0,0|2,0,0]=4 7958 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100000210183_100000702531 [1,0,0,1,0,0|1,1,0]=4 7959 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100011218419_100000210211 [1,0,0,1,0,0|1,1,0]=4 7960 B12R1.53 CCCCC(=O)NC1CCCC1 11a_100000211070_100000210183 [1,0,0,1,0,0|2,0,0]=4 7961 B12R1.53 CCCCC(=O)NC1CCCC1 1626a_100000211070_100000210183 [1,0,0,1,0,0|2,0,0]=4 7962 B12R1.53 CCCCC(=O)NC1CCCC1 240690a_100000211070_100000210183 [1,0,0,1,0,0|2,0,0]=4 7963 B12R1.53 CCCCC(=O)NC1CCCC1 527a_100000211070_100000210183 [1,0,0,1,0,0|2,0,0]=4 7964 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210183 [1,0,0,1,0,0|1,1,0]=4 7965 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210183 [1,0,0,1,0,0|1,1,0]=4 7966 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210183 [1,0,0,1,0,0|1,1,0]=4 7967 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210183 [1,0,0,1,0,0|1,1,0]=4 7968 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210183 [1,0,0,1,0,0|1,1,0]=4 7969 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210183 [1,0,0,1,0,0|1,1,0]=4 7970 B12R1.53 CCCCC(C)OC1CCSC1 7a_100011232664_200011215066 [1,0,0,1,0,0|1,0,1]=4 7971 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [1,0,0,1,0,0|2,0,0]=4 7972 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210183 [1,0,0,1,0,0|2,0,0]=4 7973 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210183 [1,0,0,1,0,0|2,0,0]=4 7974 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210183 [1,0,0,1,0,0|2,0,0]=4 7975 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210183 [1,0,0,1,0,0|2,0,0]=4 7976 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210183 [1,0,0,1,0,0|2,0,0]=4 7977 B12R1.460 CCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210211 [1,0,0,1,0,0|2,0,0]=4 7978 B12R1.463 CCCCC(=O)NCC1CCC1 11a_100000738700_100000210183 [1,0,0,1,0,0|2,0,0]=4 7979 B12R1.463 CCCCC(=O)NCC1CCC1 1626a_100000738700_100000210183 [1,0,0,1,0,0|2,0,0]=4 7980 B12R1.463 CCCCC(=O)NCC1CCC1 240690a_100000738700_100000210183 [1,0,0,1,0,0|2,0,0]=4 7981 B12R1.463 CCCCC(=O)NCC1CCC1 527a_100000738700_100000210183 [1,0,0,1,0,0|2,0,0]=4 7982 B12R1.463 CCCCC(=O)NCC1COC1 11a_100015281925_100000210183 [1,0,0,1,0,0|1,1,0]=4 7983 B12R1.463 CCCCC(=O)NCC1COC1 1626a_100015281925_100000210183 [1,0,0,1,0,0|1,1,0]=4 7984 B12R1.463 CCCCC(=O)NCC1COC1 240690a_100015281925_100000210183 [1,0,0,1,0,0|1,1,0]=4 7985 B12R1.463 CCCCC(=O)NCC1COC1 527a_100015281925_100000210183 [1,0,0,1,0,0|1,1,0]=4 7986 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [1,0,0,1,0,0|1,1,0]=4 7987 B12R1.464 CCCCC(=O)NCCC1CC1 1626a_100000764129_100000210183 [1,0,0,1,0,0|2,0,0]=4 7988 B12R1.464 CCCCC(=O)NCCC1CC1 240690a_100000764129_100000210183 [1,0,0,1,0,0|2,0,0]=4 7989 B12R1.464 CCCCC(=O)NCCC1CC1 527a_100000764129_100000210183 [1,0,0,1,0,0|2,0,0]=4 7990 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [1,0,0,1,0,0|2,0,0]=4 7991 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [1,0,0,1,0,0|2,0,0]=4 7992 B12R1.561 CCCCCNC(=O)C1CCC1 11a_100000209983_100000209988 [1,0,0,1,0,0|2,0,0]=4 7993 B12R1.561 CCCCCNC(=O)C1CCC1 1626a_100000209983_100000209988 [1,0,0,1,0,0|2,0,0]=4 7994 B12R1.561 CCCCCNC(=O)C1CCC1 240690a_100000209983_100000209988 [1,0,0,1,0,0|2,0,0]=4 7995 B12R1.561 CCCCCNC(=O)C1CCC1 527a_100000209983_100000209988 [1,0,0,1,0,0|2,0,0]=4 7996 B12R1.561 COCCCCC(=O)C1CCC1 1458a_100000209988_100000755781 [1,0,0,1,0,0|1,1,0]=4 7997 B12R1.561 COCCCNC(=O)C1CCC1 1626a_100150723488_100000209988 [1,0,0,1,0,0|1,1,0]=4 7998 B12R1.561 COCCCNC(=O)C1CCC1 240690a_100150723488_100000209988 [1,0,0,1,0,0|1,1,0]=4 7999 B12R1.561 COCCCNC(=O)C1CCC1 527a_100150723488_100000209988 [1,0,0,1,0,0|1,1,0]=4 8000 B12R1.561 CSCCCNC(=O)C1CCC1 11a_100000749238_100000209988 [1,0,0,1,0,0|1,0,0]=3 8001 B12R1.561 CSCCCNC(=O)C1CCC1 1626a_100000749238_100000209988 [1,0,0,1,0,0|1,0,0]=3 8002 B12R1.561 CSCCCNC(=O)C1CCC1 240690a_100000749238_100000209988 [1,0,0,1,0,0|1,0,0]=3 8003 B12R1.561 CSCCCNC(=O)C1CCC1 527a_100000749238_100000209988 [1,0,0,1,0,0|1,0,0]=3 8004 B12R1.561 CSCCCNC(=O)C1CCO1 11a_100000749238_100000089072 [1,0,0,1,0,0|2,0,0]=4 8005 B12R1.561 CSCCCNC(=O)C1CCO1 1626a_100000749238_100000089072 [1,0,0,1,0,0|2,0,0]=4 8006 B12R1.561 CSCCCNC(=O)C1CCO1 240690a_100000749238_100000089072 [1,0,0,1,0,0|2,0,0]=4 8007 B12R1.561 CSCCCNC(=O)C1CCO1 527a_100000749238_100000089072 [1,0,0,1,0,0|2,0,0]=4 8008 B12R1.561 CSCCCNC(=O)C1COC1 11a_100000749238_100000758290 [1,0,0,1,0,0|2,0,0]=4 8009 B12R1.561 CSCCCNC(=O)C1COC1 1626a_100000749238_100000758290 [1,0,0,1,0,0|2,0,0]=4 8010 B12R1.561 CSCCCNC(=O)C1COC1 240690a_100000749238_100000758290 [1,0,0,1,0,0|2,0,0]=4 8011 B12R1.561 CSCCCNC(=O)C1COC1 527a_100000749238_100000758290 [1,0,0,1,0,0|2,0,0]=4 8012 B12R1.561 CSCCCNC(=O)N1CCC1 2708a_100000749238_100000754969 [1,0,0,1,0,0|2,0,0]=4 8013 B12R1.561 CSCCCNC(=O)N1CCC1 273464a_100000749238_100000754969 [1,0,0,1,0,0|2,0,0]=4 8014 B12R1.561 CSCCNCC(=O)C1CCC1 2230a_100020590264_100000686122 [1,0,0,1,0,0|2,0,0]=4 8015 B12R1.561 CSCCOCC(=O)C1CCC1 34a_100000230434_100000686122 [1,0,0,1,0,0|2,0,0]=4 8016 B12R1.561 CSCCOCC(=O)C1CCC1 7a_100000230434_100000686122 [1,0,0,1,0,0|2,0,0]=4 8017 B12R1.561 CSCCSCC(=O)C1CCC1 62a_100000212216_100000686122 [1,0,0,1,0,0|2,0,0]=4 8018 B12R1.561 CSCCSCC(=O)C1CCC1 62a_100000686122_100000751147 [1,0,0,1,0,0|2,0,0]=4 8019 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [1,0,0,1,0,0|2,0,0]=4 8020 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [1,0,0,1,0,0|2,0,0]=4 8021 B12R1.563 CCCCCNC(=O)CC1CC1 11a_100000209983_100000738066 [1,0,0,1,0,0|2,0,0]=4 8022 B12R1.563 CCCCCNC(=O)CC1CC1 1626a_100000209983_100000738066 [1,0,0,1,0,0|2,0,0]=4 8023 B12R1.563 CCCCCNC(=O)CC1CC1 240690a_100000209983_100000738066 [1,0,0,1,0,0|2,0,0]=4 8024 B12R1.563 CCCCCNC(=O)CC1CC1 527a_100000209983_100000738066 [1,0,0,1,0,0|2,0,0]=4 8025 B12R1.563 COCCCCC(=O)CC1CC1 1458a_100000738066_100000755781 [1,0,0,1,0,0|1,1,0]=4 8026 B12R1.563 COCCCNC(=O)CC1CC1 1626a_100150723488_100000738066 [1,0,0,1,0,0|1,1,0]=4 8027 B12R1.563 COCCCNC(=O)CC1CC1 240690a_100150723488_100000738066 [1,0,0,1,0,0|1,1,0]=4 8028 B12R1.563 COCCCNC(=O)CC1CC1 527a_100150723488_100000738066 [1,0,0,1,0,0|1,1,0]=4 8029 B12R1.563 CSCCCNC(=O)CC1CC1 11a_100000749238_100000738066 [1,0,0,1,0,0|1,0,0]=3 8030 B12R1.563 CSCCCNC(=O)CC1CC1 1626a_100000749238_100000738066 [1,0,0,1,0,0|1,0,0]=3 8031 B12R1.563 CSCCCNC(=O)CC1CC1 240690a_100000749238_100000738066 [1,0,0,1,0,0|1,0,0]=3 8032 B12R1.563 CSCCCNC(=O)CC1CC1 527a_100000749238_100000738066 [1,0,0,1,0,0|1,0,0]=3 8033 B12R1.563 CSCCCNC(=O)NC1CC1 2708a_100000212008_100000749238 [1,0,0,1,0,0|2,0,0]=4 8034 B12R1.563 CSCCCNC(=O)NC1CC1 2708a_100000749238_100000212008 [1,0,0,1,0,0|2,0,0]=4 8035 B12R1.563 CSCCCNC(=O)NC1CC1 273464a_100000212008_100000749238 [1,0,0,1,0,0|2,0,0]=4 8036 B12R1.563 CSCCCNC(=O)NC1CC1 273464a_100000749238_100000212008 [1,0,0,1,0,0|2,0,0]=4 8037 B12R1.563 CSCCCNC(=O)NC1CC1 512a_100000212008_100000749238 [1,0,0,1,0,0|2,0,0]=4 8038 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [1,0,0,1,0,0|2,0,0]=4 8039 B12R1.2563 CCCCCNC(=O)C1CC1C 11a_100000209983_100000211227 [1,0,0,1,0,0|2,0,0]=4 8040 B12R1.2563 CCCCCNC(=O)C1CC1C 1626a_100000209983_100000211227 [1,0,0,1,0,0|2,0,0]=4 8041 B12R1.2563 CCCCCNC(=O)C1CC1C 527a_100000209983_100000211227 [1,0,0,1,0,0|2,0,0]=4 8042 B12R1.2563 COCCCCC(=O)C1CC1C 1458a_100000211227_100000755781 [1,0,0,1,0,0|1,1,0]=4 8043 B12R1.2563 COCCCNC(=O)C1CC1C 1626a_100150723488_100000211227 [1,0,0,1,0,0|1,1,0]=4 8044 B12R1.2563 COCCCNC(=O)C1CC1C 527a_100150723488_100000211227 [1,0,0,1,0,0|1,1,0]=4 8045 B12R1.2563 CSCCCNC(=O)C1CC1C 11a_100000749238_100000211227 [1,0,0,1,0,0|1,0,0]=3 8046 B12R1.2563 CSCCCNC(=O)C1CC1C 1626a_100000749238_100000211227 [1,0,0,1,0,0|1,0,0]=3 8047 B12R1.2563 CSCCCNC(=O)C1CC1C 527a_100000749238_100000211227 [1,0,0,1,0,0|1,0,0]=3 8048 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000749238_100015396687 [1,0,0,1,0,0|2,0,0]=4 8049 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000749238_100015396687 [1,0,0,1,0,0|2,0,0]=4 8050 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000749238_100015396687 [1,0,0,1,0,0|2,0,0]=4 8051 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [1,0,0,1,0,0|1,0,1]=4 8052 B12R1.28 CSCCOC1CCCC(C1)C 34a_100000211399_100000212216 [1,0,0,1,0,0|1,0,1]=4 8053 B12R1.35 C#CCCCC(=O)C1CCCC1 1458a_100000210718_100000731252 [1,0,0,1,0,0|1,0,1]=4 8054 B12R1.35 C#CCCCC(=O)C1CCCC1 1458a_100000690238_100000179811 [1,0,0,1,0,0|1,0,1]=4 8055 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000210718_100000757094 [1,0,0,1,0,0|1,0,1]=4 8056 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000766728_100000179811 [1,0,0,1,0,0|1,0,1]=4 8057 B12R1.35 CCCC#CC(=O)C1CCCC1 1458a_200011218047_100000179811 [1,0,0,1,0,0|1,0,1]=4 8058 B12R1.35 CCCC=CC(=O)C1CCCC1 1458a_100000212230_100000179811 [1,0,0,1,0,0|1,0,1]=4 8059 B12R1.35 CCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210326 [1,0,0,1,0,0|1,0,1]=4 8060 B12R1.35 CCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210326 [1,0,0,1,0,0|1,0,1]=4 8061 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000210718_100000210326 [1,0,0,1,0,0|1,0,0]=3 8062 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000212188_100000179811 [1,0,0,1,0,0|1,0,0]=3 8063 B12R1.35 CCCCCC(=O)C1CCCS1 1458a_100012002731_100000210326 [1,0,0,1,0,0|1,0,0]=3 8064 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100000212188_100000690089 [1,0,0,1,0,0|0,1,0]=3 8065 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100011219752_100000210326 [1,0,0,1,0,0|0,1,0]=3 8066 B12R1.35 CCCCCC(=O)N1CCCC1 240690a_100000188435_100000212188 [1,0,0,1,0,0|1,0,0]=3 8067 B12R1.35 CCCCCC(=O)N1CCCC1 527a_100000188435_100000212188 [1,0,0,1,0,0|1,0,0]=3 8068 B12R1.35 CCCCCC(=O)N1CCSC1 11a_100011215254_100000212188 [1,0,0,1,0,0|1,0,0]=3 8069 B12R1.35 CCCCCC(=O)N1CCSC1 240690a_100011215254_100000212188 [1,0,0,1,0,0|1,0,0]=3 8070 B12R1.35 CCCCCC(=O)N1CCSC1 527a_100011215254_100000212188 [1,0,0,1,0,0|1,0,0]=3 8071 B12R1.35 CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210326 [1,0,0,1,0,0|1,1,0]=4 8072 B12R1.35 CCCCCN(C)C1CCSC1 270004a_100000223495_100000212027 [1,0,0,1,0,0|2,0,0]=4 8073 B12R1.35 CCCCNC(=O)C1CCCC1 11a_100000102301_100000210718 [1,0,0,1,0,0|1,0,0]=3 8074 B12R1.35 CCCCNC(=O)C1CCCC1 1626a_100000102301_100000210718 [1,0,0,1,0,0|1,0,0]=3 8075 B12R1.35 CCCCNC(=O)C1CCCC1 240690a_100000102301_100000210718 [1,0,0,1,0,0|1,0,0]=3 8076 B12R1.35 CCCCNC(=O)C1CCCC1 527a_100000102301_100000210718 [1,0,0,1,0,0|1,0,0]=3 8077 B12R1.35 CCCCNC(=O)C1CCCS1 11a_100000102301_100012002731 [1,0,0,1,0,0|2,0,0]=4 8078 B12R1.35 CCCCNC(=O)C1CCCS1 1626a_100000102301_100012002731 [1,0,0,1,0,0|2,0,0]=4 8079 B12R1.35 CCCCNC(=O)C1CCCS1 240690a_100000102301_100012002731 [1,0,0,1,0,0|2,0,0]=4 8080 B12R1.35 CCCCNC(=O)C1CCCS1 527a_100000102301_100012002731 [1,0,0,1,0,0|2,0,0]=4 8081 B12R1.35 CCCCNC(=O)C1CCOC1 11a_100000102301_100011219752 [1,0,0,1,0,0|1,1,0]=4 8082 B12R1.35 CCCCNC(=O)C1CCOC1 1626a_100000102301_100011219752 [1,0,0,1,0,0|1,1,0]=4 8083 B12R1.35 CCCCNC(=O)C1CCOC1 240690a_100000102301_100011219752 [1,0,0,1,0,0|1,1,0]=4 8084 B12R1.35 CCCCNC(=O)C1CCOC1 527a_100000102301_100011219752 [1,0,0,1,0,0|1,1,0]=4 8085 B12R1.35 CCCCNC(=O)N1CCCC1 2708a_100000102301_100000188435 [1,0,0,1,0,0|2,0,0]=4 8086 B12R1.35 CCCCNC(=O)N1CCCC1 273464a_100000102301_100000188435 [1,0,0,1,0,0|2,0,0]=4 8087 B12R1.35 CCCCNC(=O)N1CCSC1 2708a_100000102301_100011215254 [1,0,0,1,0,0|2,0,0]=4 8088 B12R1.35 CCCCNC(=O)N1CCSC1 273464a_100000102301_100011215254 [1,0,0,1,0,0|2,0,0]=4 8089 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 11a_100000102301_100000686382 [1,0,0,1,0,0|2,0,0]=4 8090 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 1626a_100000102301_100000686382 [1,0,0,1,0,0|2,0,0]=4 8091 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 240690a_100000102301_100000686382 [1,0,0,1,0,0|2,0,0]=4 8092 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 527a_100000102301_100000686382 [1,0,0,1,0,0|2,0,0]=4 8093 B12R1.35 CCCCOC(C)C1CCCC1 34a_100011216366_100000210210 [1,0,0,1,0,0|1,0,1]=4 8094 B12R1.35 CCCCOC(C)C1CCCC1 7a_100011216366_100000210211 [1,0,0,1,0,0|1,0,1]=4 8095 B12R1.35 CCCNCC(=O)N1CCCC1 2230a_100000751844_100000210303 [1,0,0,1,0,0|2,0,0]=4 8096 B12R1.35 CCCNNC(=O)C1CCCC1 22a_100000740057_100000210718 [1,0,0,1,0,0|2,0,0]=4 8097 B12R1.35 CCCOCC(=O)C1CCCC1 1458a_100000745993_100000179811 [1,0,0,1,0,0|2,0,0]=4 8098 B12R1.35 CCCOCC(=O)C1CCOC1 1458a_100000745993_100000690089 [1,0,0,1,0,0|1,1,0]=4 8099 B12R1.35 CCCOCC(=O)N1CCCC1 240690a_100000188435_100000745993 [1,0,0,1,0,0|2,0,0]=4 8100 B12R1.35 CCCOCC(=O)N1CCCC1 34a_100000210258_100000183516 [1,0,0,1,0,0|2,0,0]=4 8101 B12R1.35 CCCOCC(=O)N1CCCC1 527a_100000188435_100000745993 [1,0,0,1,0,0|2,0,0]=4 8102 B12R1.35 CCCOCC(=O)N1CCCC1 7a_200000752455_100000210303 [1,0,0,1,0,0|2,0,0]=4 8103 B12R1.35 CCCOCC(=O)N1CCSC1 11a_100011215254_100000745993 [1,0,0,1,0,0|2,0,0]=4 8104 B12R1.35 CCCOCC(=O)N1CCSC1 240690a_100011215254_100000745993 [1,0,0,1,0,0|2,0,0]=4 8105 B12R1.35 CCCOCC(=O)N1CCSC1 527a_100011215254_100000745993 [1,0,0,1,0,0|2,0,0]=4 8106 B12R1.35 CCCSCC(=O)C1CCCC1 1458a_100000217233_100000179811 [1,0,0,1,0,0|2,0,0]=4 8107 B12R1.35 CCCSCC(=O)C1CCOC1 1458a_100000217233_100000690089 [1,0,0,1,0,0|1,1,0]=4 8108 B12R1.35 CCCSCC(=O)N1CCCC1 240690a_100000188435_100000217233 [1,0,0,1,0,0|2,0,0]=4 8109 B12R1.35 CCCSCC(=O)N1CCCC1 527a_100000188435_100000217233 [1,0,0,1,0,0|2,0,0]=4 8110 B12R1.35 CCCSCC(=O)N1CCCC1 62a_100000183516_100000210303 [1,0,0,1,0,0|2,0,0]=4 8111 B12R1.35 CCCSCC(=O)N1CCCC1 62a_100000210303_100000183516 [1,0,0,1,0,0|2,0,0]=4 8112 B12R1.35 CCCSCC(=O)N1CCSC1 11a_100011215254_100000217233 [1,0,0,1,0,0|2,0,0]=4 8113 B12R1.35 CCCSCC(=O)N1CCSC1 240690a_100011215254_100000217233 [1,0,0,1,0,0|2,0,0]=4 8114 B12R1.35 CCCSCC(=O)N1CCSC1 527a_100011215254_100000217233 [1,0,0,1,0,0|2,0,0]=4 8115 B12R1.35 CCNCCC(=O)N1CCCC1 2230a_100015525214_100011194422 [1,0,0,1,0,0|2,0,0]=4 8116 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000210718_100011215890 [1,0,0,1,0,0|2,0,0]=4 8117 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000749530_100000179811 [1,0,0,1,0,0|2,0,0]=4 8118 B12R1.35 CCOCCC(=O)C1CCCS1 1458a_100012002731_100011215890 [1,0,0,1,0,0|2,0,0]=4 8119 B12R1.35 CCOCCC(=O)C1CCOC1 1458a_100000749530_100000690089 [1,0,0,1,0,0|1,1,0]=4 8120 B12R1.35 CCOCCC(=O)C1CCOC1 1458a_100011219752_100011215890 [1,0,0,1,0,0|1,1,0]=4 8121 B12R1.35 CCOCCC(=O)N1CCCC1 240690a_100000188435_100000749530 [1,0,0,1,0,0|2,0,0]=4 8122 B12R1.35 CCOCCC(=O)N1CCCC1 34a_100121572206_100011194422 [1,0,0,1,0,0|2,0,0]=4 8123 B12R1.35 CCOCCC(=O)N1CCCC1 527a_100000188435_100000749530 [1,0,0,1,0,0|2,0,0]=4 8124 B12R1.35 CCOCCC(=O)N1CCSC1 11a_100011215254_100000749530 [1,0,0,1,0,0|2,0,0]=4 8125 B12R1.35 CCOCCC(=O)N1CCSC1 240690a_100011215254_100000749530 [1,0,0,1,0,0|2,0,0]=4 8126 B12R1.35 CCOCCC(=O)N1CCSC1 527a_100011215254_100000749530 [1,0,0,1,0,0|2,0,0]=4 8127 B12R1.35 CCSCCC(=O)C1CCCC1 1458a_100000210718_100000757381 [1,0,0,1,0,0|2,0,0]=4 8128 B12R1.35 CCSCCC(=O)C1CCCC1 1458a_100000230768_100000179811 [1,0,0,1,0,0|2,0,0]=4 8129 B12R1.35 CCSCCC(=O)C1CCCS1 1458a_100012002731_100000757381 [1,0,0,1,0,0|2,0,0]=4 8130 B12R1.35 CCSCCC(=O)C1CCOC1 1458a_100000230768_100000690089 [1,0,0,1,0,0|1,1,0]=4 8131 B12R1.35 CCSCCC(=O)C1CCOC1 1458a_100011219752_100000757381 [1,0,0,1,0,0|1,1,0]=4 8132 B12R1.35 CCSCCC(=O)N1CCCC1 240690a_100000188435_100000230768 [1,0,0,1,0,0|2,0,0]=4 8133 B12R1.35 CCSCCC(=O)N1CCCC1 527a_100000188435_100000230768 [1,0,0,1,0,0|2,0,0]=4 8134 B12R1.35 CCSCCC(=O)N1CCCC1 62a_100000210202_100011194422 [1,0,0,1,0,0|2,0,0]=4 8135 B12R1.35 CCSCCC(=O)N1CCCC1 62a_100011194422_100000210202 [1,0,0,1,0,0|2,0,0]=4 8136 B12R1.35 CCSCCC(=O)N1CCSC1 11a_100011215254_100000230768 [1,0,0,1,0,0|2,0,0]=4 8137 B12R1.35 CCSCCC(=O)N1CCSC1 240690a_100011215254_100000230768 [1,0,0,1,0,0|2,0,0]=4 8138 B12R1.35 CCSCCC(=O)N1CCSC1 527a_100011215254_100000230768 [1,0,0,1,0,0|2,0,0]=4 8139 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000210718_100000740836 [1,0,0,1,0,0|0,1,0]=3 8140 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000741012_100000179811 [1,0,0,1,0,0|0,1,0]=3 8141 B12R1.35 COCCCC(=O)C1CCCS1 1458a_100012002731_100000740836 [1,0,0,1,0,0|1,1,0]=4 8142 B12R1.35 COCCCC(=O)C1CCOC1 1458a_100000741012_100000690089 [1,0,0,1,0,0|1,1,0]=4 8143 B12R1.35 COCCCC(=O)C1CCOC1 1458a_100011219752_100000740836 [1,0,0,1,0,0|1,1,0]=4 8144 B12R1.35 COCCCC(=O)N1CCCC1 240690a_100000188435_100000741012 [1,0,0,1,0,0|1,1,0]=4 8145 B12R1.35 COCCCC(=O)N1CCCC1 527a_100000188435_100000741012 [1,0,0,1,0,0|1,1,0]=4 8146 B12R1.35 COCCCC(=O)N1CCSC1 11a_100011215254_100000741012 [1,0,0,1,0,0|2,0,0]=4 8147 B12R1.35 COCCCC(=O)N1CCSC1 240690a_100011215254_100000741012 [1,0,0,1,0,0|2,0,0]=4 8148 B12R1.35 COCCCC(=O)N1CCSC1 527a_100011215254_100000741012 [1,0,0,1,0,0|2,0,0]=4 8149 B12R1.35 COCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000740836 [1,0,0,1,0,0|1,1,0]=4 8150 B12R1.35 COCCNC(=O)C1CCCC1 1626a_100000209980_100000210718 [1,0,0,1,0,0|1,1,0]=4 8151 B12R1.35 COCCNC(=O)C1CCCC1 240690a_100000209980_100000210718 [1,0,0,1,0,0|1,1,0]=4 8152 B12R1.35 COCCNC(=O)C1CCCC1 527a_100000209980_100000210718 [1,0,0,1,0,0|1,1,0]=4 8153 B12R1.35 CSCCCC(=O)C1CCCC1 1458a_100000173376_100000179811 [1,0,0,1,0,0|0,0,0]=2 8154 B12R1.35 CSCCCC(=O)C1CCOC1 1458a_100000173376_100000690089 [1,0,0,1,0,0|1,0,0]=3 8155 B12R1.35 CSCCCC(=O)N1CCCC1 240690a_100000188435_100000173376 [1,0,0,1,0,0|1,0,0]=3 8156 B12R1.35 CSCCCC(=O)N1CCCC1 527a_100000188435_100000173376 [1,0,0,1,0,0|1,0,0]=3 8157 B12R1.35 CSCCCC(=O)N1CCSC1 11a_100011215254_100000173376 [1,0,0,1,0,0|2,0,0]=4 8158 B12R1.35 CSCCCC(=O)N1CCSC1 240690a_100011215254_100000173376 [1,0,0,1,0,0|2,0,0]=4 8159 B12R1.35 CSCCCC(=O)N1CCSC1 527a_100011215254_100000173376 [1,0,0,1,0,0|2,0,0]=4 8160 B12R1.35 CSCCNC(=O)C1CCCC1 11a_100020590264_100000210718 [1,0,0,1,0,0|1,0,0]=3 8161 B12R1.35 CSCCNC(=O)C1CCCC1 1626a_100020590264_100000210718 [1,0,0,1,0,0|1,0,0]=3 8162 B12R1.35 CSCCNC(=O)C1CCCC1 240690a_100020590264_100000210718 [1,0,0,1,0,0|1,0,0]=3 8163 B12R1.35 CSCCNC(=O)C1CCCC1 527a_100020590264_100000210718 [1,0,0,1,0,0|1,0,0]=3 8164 B12R1.35 CSCCNC(=O)C1CCCS1 11a_100020590264_100012002731 [1,0,0,1,0,0|2,0,0]=4 8165 B12R1.35 CSCCNC(=O)C1CCCS1 1626a_100020590264_100012002731 [1,0,0,1,0,0|2,0,0]=4 8166 B12R1.35 CSCCNC(=O)C1CCCS1 240690a_100020590264_100012002731 [1,0,0,1,0,0|2,0,0]=4 8167 B12R1.35 CSCCNC(=O)C1CCCS1 527a_100020590264_100012002731 [1,0,0,1,0,0|2,0,0]=4 8168 B12R1.35 CSCCNC(=O)C1CCOC1 11a_100020590264_100011219752 [1,0,0,1,0,0|2,0,0]=4 8169 B12R1.35 CSCCNC(=O)C1CCOC1 1626a_100020590264_100011219752 [1,0,0,1,0,0|2,0,0]=4 8170 B12R1.35 CSCCNC(=O)C1CCOC1 240690a_100020590264_100011219752 [1,0,0,1,0,0|2,0,0]=4 8171 B12R1.35 CSCCNC(=O)C1CCOC1 527a_100020590264_100011219752 [1,0,0,1,0,0|2,0,0]=4 8172 B12R1.35 CSCCNC(=O)N1CCCC1 2708a_100020590264_100000188435 [1,0,0,1,0,0|2,0,0]=4 8173 B12R1.35 CSCCNC(=O)N1CCCC1 273464a_100020590264_100000188435 [1,0,0,1,0,0|2,0,0]=4 8174 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 11a_100020590264_100000686382 [1,0,0,1,0,0|2,0,0]=4 8175 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 1626a_100020590264_100000686382 [1,0,0,1,0,0|2,0,0]=4 8176 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 240690a_100020590264_100000686382 [1,0,0,1,0,0|2,0,0]=4 8177 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 527a_100020590264_100000686382 [1,0,0,1,0,0|2,0,0]=4 8178 B12R1.35 CSCCOC(C)C1CCCC1 34a_100011216366_100000212216 [1,0,0,1,0,0|1,0,1]=4 8179 B12R1.35 CSCCOC(C)C1CCCC1 7a_100011216366_100000212216 [1,0,0,1,0,0|1,0,1]=4 8180 B12R1.35 CSCNCC(=O)N1CCCC1 2230a_100000751844_100011218213 [1,0,0,1,0,0|2,0,0]=4 8181 B12R1.35 CSCSCC(=O)N1CCCC1 62a_100000183516_100011218213 [1,0,0,1,0,0|2,0,0]=4 8182 B12R1.35 CSCSCC(=O)N1CCCC1 62a_100011218213_100000183516 [1,0,0,1,0,0|2,0,0]=4 8183 B12R1.35 N#CCCCC(=O)C1CCCC1 1458a_100000075515_100000179811 [1,0,0,1,0,0|2,0,0]=4 8184 B12R1.35 N#CCCCC(=O)C1CCCC1 1458a_100000210718_100000211468 [1,0,0,1,0,0|2,0,0]=4 8185 B12R1.35 O=C(CCCCF)C1CCCC1 1458a_100000210718_100000729493 [1,0,0,1,0,0|2,0,0]=4 8186 B12R1.35 O=C(CCCCF)C1CCCS1 1458a_100012002731_100000729493 [1,0,0,1,0,0|2,0,0]=4 8187 B12R1.35 O=C(CCCCF)C1CCOC1 1458a_100011219752_100000729493 [1,0,0,1,0,0|1,1,0]=4 8188 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000210718_100000210776 [1,0,0,1,0,0|1,1,0]=4 8189 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000695505_100000179811 [1,0,0,1,0,0|1,1,0]=4 8190 B12R1.35 O=C(CCCCO)C1CCCS1 1458a_100012002731_100000210776 [1,0,0,1,0,0|2,0,0]=4 8191 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100000695505_100000690089 [1,0,0,1,0,0|1,1,0]=4 8192 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100011219752_100000210776 [1,0,0,1,0,0|1,1,0]=4 8193 B12R1.35 O=C(NCCCF)C1CCCC1 11a_100015189416_100000210718 [1,0,0,1,0,0|2,0,0]=4 8194 B12R1.35 O=C(NCCCF)C1CCCC1 1626a_100015189416_100000210718 [1,0,0,1,0,0|2,0,0]=4 8195 B12R1.35 O=C(NCCCF)C1CCCC1 240690a_100015189416_100000210718 [1,0,0,1,0,0|2,0,0]=4 8196 B12R1.35 O=C(NCCCF)C1CCCC1 527a_100015189416_100000210718 [1,0,0,1,0,0|2,0,0]=4 8197 B12R1.35 O=C(NCCCO)C1CCCC1 240690a_100000182051_100000210718 [1,0,0,1,0,0|1,1,0]=4 8198 B12R1.35 O=C(NCCCO)C1CCCC1 527a_100000182051_100000210718 [1,0,0,1,0,0|1,1,0]=4 8199 B12R1.481 C#CCCCC(=O)C1CC1CC 1458a_200011661523_100000731252 [1,0,0,1,0,0|1,0,1]=4 8200 B12R1.481 C=CCCCC(=O)C1CC1CC 1458a_200011661523_100000757094 [1,0,0,1,0,0|1,0,1]=4 8201 B12R1.481 CCC1CC1C(=O)CCCC#N 1458a_200011661523_100000211468 [1,0,0,1,0,0|2,0,0]=4 8202 B12R1.481 CCC1CC1C(=O)CCCCF 1458a_200011661523_100000729493 [1,0,0,1,0,0|2,0,0]=4 8203 B12R1.481 CCC1CC1C(=O)CCCCO 1458a_200011661523_100000210776 [1,0,0,1,0,0|1,1,0]=4 8204 B12R1.481 CCC1CC1C(=O)CCCOC 1458a_200011661523_100000740836 [1,0,0,1,0,0|0,1,0]=3 8205 B12R1.481 CCC1CC1C(=O)NCCCF 11a_100015189416_200011661523 [1,0,0,1,0,0|2,0,0]=4 8206 B12R1.481 CCC1CC1C(=O)NCCCF 1626a_100015189416_200011661523 [1,0,0,1,0,0|2,0,0]=4 8207 B12R1.481 CCC1CC1C(=O)NCCCF 240690a_100015189416_200011661523 [1,0,0,1,0,0|2,0,0]=4 8208 B12R1.481 CCC1CC1C(=O)NCCCF 527a_100015189416_200011661523 [1,0,0,1,0,0|2,0,0]=4 8209 B12R1.481 CCC1CC1C(=O)NCCCO 240690a_100000182051_200011661523 [1,0,0,1,0,0|1,1,0]=4 8210 B12R1.481 CCC1CC1C(=O)NCCCO 527a_100000182051_200011661523 [1,0,0,1,0,0|1,1,0]=4 8211 B12R1.481 CCC1CC1C(=O)NCCOC 1626a_100000209980_200011661523 [1,0,0,1,0,0|1,1,0]=4 8212 B12R1.481 CCC1CC1C(=O)NCCOC 240690a_100000209980_200011661523 [1,0,0,1,0,0|1,1,0]=4 8213 B12R1.481 CCC1CC1C(=O)NCCOC 527a_100000209980_200011661523 [1,0,0,1,0,0|1,1,0]=4 8214 B12R1.481 CCC1CC1C(=O)NCCSC 11a_100020590264_200011661523 [1,0,0,1,0,0|1,0,0]=3 8215 B12R1.481 CCC1CC1C(=O)NCCSC 1626a_100020590264_200011661523 [1,0,0,1,0,0|1,0,0]=3 8216 B12R1.481 CCC1CC1C(=O)NCCSC 240690a_100020590264_200011661523 [1,0,0,1,0,0|1,0,0]=3 8217 B12R1.481 CCC1CC1C(=O)NCCSC 527a_100020590264_200011661523 [1,0,0,1,0,0|1,0,0]=3 8218 B12R1.481 CCCCCC(=O)C1CC1CC 1458a_200011661523_100000210326 [1,0,0,1,0,0|1,0,0]=3 8219 B12R1.481 CCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210326 [1,0,0,1,0,0|2,0,0]=4 8220 B12R1.481 CCCCNC(=O)C1CC1CC 11a_100000102301_200011661523 [1,0,0,1,0,0|1,0,0]=3 8221 B12R1.481 CCCCNC(=O)C1CC1CC 1626a_100000102301_200011661523 [1,0,0,1,0,0|1,0,0]=3 8222 B12R1.481 CCCCNC(=O)C1CC1CC 240690a_100000102301_200011661523 [1,0,0,1,0,0|1,0,0]=3 8223 B12R1.481 CCCCNC(=O)C1CC1CC 527a_100000102301_200011661523 [1,0,0,1,0,0|1,0,0]=3 8224 B12R1.481 CCCNNC(=O)C1CC1CC 22a_100000740057_200011661523 [1,0,0,1,0,0|2,0,0]=4 8225 B12R1.481 CCOCCC(=O)C1CC1CC 1458a_200011661523_100011215890 [1,0,0,1,0,0|2,0,0]=4 8226 B12R1.481 CCSCCC(=O)C1CC1CC 1458a_200011661523_100000757381 [1,0,0,1,0,0|2,0,0]=4 8227 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000212188 [1,0,0,1,0,0|2,0,0]=4 8228 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000212188 [1,0,0,1,0,0|2,0,0]=4 8229 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000212188 [1,0,0,1,0,0|2,0,0]=4 8230 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000212188 [1,0,0,1,0,0|2,0,0]=4 8231 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000212188 [1,0,0,1,0,0|2,0,0]=4 8232 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000212188 [1,0,0,1,0,0|2,0,0]=4 8233 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000173376 [1,0,0,1,0,0|2,0,0]=4 8234 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000173376 [1,0,0,1,0,0|2,0,0]=4 8235 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000173376 [1,0,0,1,0,0|2,0,0]=4 8236 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000173376 [1,0,0,1,0,0|2,0,0]=4 8237 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000173376 [1,0,0,1,0,0|2,0,0]=4 8238 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000173376 [1,0,0,1,0,0|2,0,0]=4 8239 B12R1.483 C#CCCCC(=O)CC1CCC1 1458a_100000690238_100000763275 [1,0,0,1,0,0|1,0,1]=4 8240 B12R1.483 C#CCCCC(=O)CC1CCC1 1458a_100000763092_100000731252 [1,0,0,1,0,0|1,0,1]=4 8241 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000763092_100000757094 [1,0,0,1,0,0|1,0,1]=4 8242 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000766728_100000763275 [1,0,0,1,0,0|1,0,1]=4 8243 B12R1.483 CCCC#CC(=O)CC1CCC1 1458a_200011218047_100000763275 [1,0,0,1,0,0|1,0,1]=4 8244 B12R1.483 CCCC=CC(=O)CC1CCC1 1458a_100000212230_100000763275 [1,0,0,1,0,0|1,0,1]=4 8245 B12R1.483 CCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210326 [1,0,0,1,0,0|1,0,1]=4 8246 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000212188_100000763275 [1,0,0,1,0,0|1,0,0]=3 8247 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000763092_100000210326 [1,0,0,1,0,0|1,0,0]=3 8248 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [1,0,0,1,0,0|1,1,0]=4 8249 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000212188_100010264016 [1,0,0,1,0,0|0,1,0]=3 8250 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000687760_100000210326 [1,0,0,1,0,0|0,1,0]=3 8251 B12R1.483 CCCCCC(=O)CN1CCC1 269982a_100000754969_200012276598 [1,0,0,1,0,0|2,0,0]=4 8252 B12R1.483 CCCCCC(=O)NC1CCC1 11a_100000749019_100000212188 [1,0,0,1,0,0|1,0,0]=3 8253 B12R1.483 CCCCCC(=O)NC1CCC1 1626a_100000749019_100000212188 [1,0,0,1,0,0|1,0,0]=3 8254 B12R1.483 CCCCCC(=O)NC1CCC1 240690a_100000749019_100000212188 [1,0,0,1,0,0|1,0,0]=3 8255 B12R1.483 CCCCCC(=O)NC1CCC1 527a_100000749019_100000212188 [1,0,0,1,0,0|1,0,0]=3 8256 B12R1.483 CCCCCC(=O)NC1COC1 11a_100016991112_100000212188 [1,0,0,1,0,0|1,1,0]=4 8257 B12R1.483 CCCCCC(=O)NC1COC1 1626a_100016991112_100000212188 [1,0,0,1,0,0|1,1,0]=4 8258 B12R1.483 CCCCCC(=O)NC1COC1 240690a_100016991112_100000212188 [1,0,0,1,0,0|1,1,0]=4 8259 B12R1.483 CCCCCC(=O)NC1COC1 527a_100016991112_100000212188 [1,0,0,1,0,0|1,1,0]=4 8260 B12R1.483 CCCCCC(=O)NC1CSC1 11a_100016994217_100000212188 [1,0,0,1,0,0|1,0,0]=3 8261 B12R1.483 CCCCCC(=O)NC1CSC1 1626a_100016994217_100000212188 [1,0,0,1,0,0|1,0,0]=3 8262 B12R1.483 CCCCCC(=O)NC1CSC1 240690a_100016994217_100000212188 [1,0,0,1,0,0|1,0,0]=3 8263 B12R1.483 CCCCCC(=O)NC1CSC1 527a_100016994217_100000212188 [1,0,0,1,0,0|1,0,0]=3 8264 B12R1.483 CCCCCC(C)OC1CCC1 34a_100000748187_200011218191 [1,0,0,1,0,0|1,0,1]=4 8265 B12R1.483 CCCCCC(C)OC1CCC1 34a_100011215632_100000749161 [1,0,0,1,0,0|1,0,1]=4 8266 B12R1.483 CCCCCC(C)OC1CSC1 7a_100000072292_200011218191 [1,0,0,1,0,0|1,0,1]=4 8267 B12R1.483 CCCCNC(=O)CC1CCC1 11a_100000102301_100000763092 [1,0,0,1,0,0|1,0,0]=3 8268 B12R1.483 CCCCNC(=O)CC1CCC1 1626a_100000102301_100000763092 [1,0,0,1,0,0|1,0,0]=3 8269 B12R1.483 CCCCNC(=O)CC1CCC1 240690a_100000102301_100000763092 [1,0,0,1,0,0|1,0,0]=3 8270 B12R1.483 CCCCNC(=O)CC1CCC1 527a_100000102301_100000763092 [1,0,0,1,0,0|1,0,0]=3 8271 B12R1.483 CCCCNC(=O)CC1COC1 11a_100000102301_100000687760 [1,0,0,1,0,0|1,1,0]=4 8272 B12R1.483 CCCCNC(=O)CC1COC1 1626a_100000102301_100000687760 [1,0,0,1,0,0|1,1,0]=4 8273 B12R1.483 CCCCNC(=O)CN1CCC1 269982a_100000754969_100000182744 [1,0,0,1,0,0|2,0,0]=4 8274 B12R1.483 CCCCNC(=O)NC1CCC1 2708a_100000102301_100000749019 [1,0,0,1,0,0|2,0,0]=4 8275 B12R1.483 CCCCNC(=O)NC1CCC1 273464a_100000102301_100000749019 [1,0,0,1,0,0|2,0,0]=4 8276 B12R1.483 CCCCNC(=O)NC1CCC1 273464a_100000749019_100000102301 [1,0,0,1,0,0|2,0,0]=4 8277 B12R1.483 CCCCNC(=O)NC1CCC1 512a_100000102301_100000749019 [1,0,0,1,0,0|2,0,0]=4 8278 B12R1.483 CCCCNC(=O)NC1CCC1 512a_100000749019_100000102301 [1,0,0,1,0,0|2,0,0]=4 8279 B12R1.483 CCCCNC(=O)NC1CSC1 2708a_100000102301_100016994217 [1,0,0,1,0,0|2,0,0]=4 8280 B12R1.483 CCCCNC(=O)NC1CSC1 2708a_100016994217_100000102301 [1,0,0,1,0,0|2,0,0]=4 8281 B12R1.483 CCCCNC(=O)NC1CSC1 273464a_100000102301_100016994217 [1,0,0,1,0,0|2,0,0]=4 8282 B12R1.483 CCCCNC(=O)NC1CSC1 273464a_100016994217_100000102301 [1,0,0,1,0,0|2,0,0]=4 8283 B12R1.483 CCCCNC(=O)NC1CSC1 512a_100000102301_100016994217 [1,0,0,1,0,0|2,0,0]=4 8284 B12R1.483 CCCCNC(=O)NC1CSC1 512a_100016994217_100000102301 [1,0,0,1,0,0|2,0,0]=4 8285 B12R1.483 CCCCOC(=O)CN1CCC1 269982a_100000754969_100000211628 [1,0,0,1,0,0|1,0,0]=3 8286 B12R1.483 CCCNNC(=O)CC1CCC1 22a_100000740057_100000763092 [1,0,0,1,0,0|2,0,0]=4 8287 B12R1.483 CCCOCC(=O)CC1CCC1 1458a_100000745993_100000763275 [1,0,0,1,0,0|2,0,0]=4 8288 B12R1.483 CCCOCC(=O)CC1COC1 1458a_100000745993_100010264016 [1,0,0,1,0,0|1,1,0]=4 8289 B12R1.483 CCCOCC(=O)NC1CCC1 11a_100000749019_100000745993 [1,0,0,1,0,0|2,0,0]=4 8290 B12R1.483 CCCOCC(=O)NC1CCC1 1626a_100000749019_100000745993 [1,0,0,1,0,0|2,0,0]=4 8291 B12R1.483 CCCOCC(=O)NC1CCC1 240690a_100000749019_100000745993 [1,0,0,1,0,0|2,0,0]=4 8292 B12R1.483 CCCOCC(=O)NC1CCC1 527a_100000749019_100000745993 [1,0,0,1,0,0|2,0,0]=4 8293 B12R1.483 CCCOCC(=O)NC1CSC1 11a_100016994217_100000745993 [1,0,0,1,0,0|2,0,0]=4 8294 B12R1.483 CCCOCC(=O)NC1CSC1 1626a_100016994217_100000745993 [1,0,0,1,0,0|2,0,0]=4 8295 B12R1.483 CCCOCC(=O)NC1CSC1 240690a_100016994217_100000745993 [1,0,0,1,0,0|2,0,0]=4 8296 B12R1.483 CCCOCC(=O)NC1CSC1 527a_100016994217_100000745993 [1,0,0,1,0,0|2,0,0]=4 8297 B12R1.483 CCCSCC(=O)CC1CCC1 1458a_100000217233_100000763275 [1,0,0,1,0,0|2,0,0]=4 8298 B12R1.483 CCCSCC(=O)CC1COC1 1458a_100000217233_100010264016 [1,0,0,1,0,0|1,1,0]=4 8299 B12R1.483 CCCSCC(=O)NC1CCC1 11a_100000749019_100000217233 [1,0,0,1,0,0|2,0,0]=4 8300 B12R1.483 CCCSCC(=O)NC1CCC1 1626a_100000749019_100000217233 [1,0,0,1,0,0|2,0,0]=4 8301 B12R1.483 CCCSCC(=O)NC1CCC1 240690a_100000749019_100000217233 [1,0,0,1,0,0|2,0,0]=4 8302 B12R1.483 CCCSCC(=O)NC1CCC1 527a_100000749019_100000217233 [1,0,0,1,0,0|2,0,0]=4 8303 B12R1.483 CCCSCC(=O)NC1CSC1 11a_100016994217_100000217233 [1,0,0,1,0,0|2,0,0]=4 8304 B12R1.483 CCCSCC(=O)NC1CSC1 1626a_100016994217_100000217233 [1,0,0,1,0,0|2,0,0]=4 8305 B12R1.483 CCCSCC(=O)NC1CSC1 240690a_100016994217_100000217233 [1,0,0,1,0,0|2,0,0]=4 8306 B12R1.483 CCCSCC(=O)NC1CSC1 527a_100016994217_100000217233 [1,0,0,1,0,0|2,0,0]=4 8307 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000749530_100000763275 [1,0,0,1,0,0|2,0,0]=4 8308 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000763092_100011215890 [1,0,0,1,0,0|2,0,0]=4 8309 B12R1.483 CCOCCC(=O)CC1COC1 1458a_100000687760_100011215890 [1,0,0,1,0,0|1,1,0]=4 8310 B12R1.483 CCOCCC(=O)CC1COC1 1458a_100000749530_100010264016 [1,0,0,1,0,0|1,1,0]=4 8311 B12R1.483 CCOCCC(=O)NC1CCC1 11a_100000749019_100000749530 [1,0,0,1,0,0|2,0,0]=4 8312 B12R1.483 CCOCCC(=O)NC1CCC1 1626a_100000749019_100000749530 [1,0,0,1,0,0|2,0,0]=4 8313 B12R1.483 CCOCCC(=O)NC1CCC1 240690a_100000749019_100000749530 [1,0,0,1,0,0|2,0,0]=4 8314 B12R1.483 CCOCCC(=O)NC1CCC1 527a_100000749019_100000749530 [1,0,0,1,0,0|2,0,0]=4 8315 B12R1.483 CCOCCC(=O)NC1CSC1 11a_100016994217_100000749530 [1,0,0,1,0,0|2,0,0]=4 8316 B12R1.483 CCOCCC(=O)NC1CSC1 1626a_100016994217_100000749530 [1,0,0,1,0,0|2,0,0]=4 8317 B12R1.483 CCOCCC(=O)NC1CSC1 240690a_100016994217_100000749530 [1,0,0,1,0,0|2,0,0]=4 8318 B12R1.483 CCOCCC(=O)NC1CSC1 527a_100016994217_100000749530 [1,0,0,1,0,0|2,0,0]=4 8319 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000230768_100000763275 [1,0,0,1,0,0|2,0,0]=4 8320 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000763092_100000757381 [1,0,0,1,0,0|2,0,0]=4 8321 B12R1.483 CCSCCC(=O)CC1COC1 1458a_100000230768_100010264016 [1,0,0,1,0,0|1,1,0]=4 8322 B12R1.483 CCSCCC(=O)CC1COC1 1458a_100000687760_100000757381 [1,0,0,1,0,0|1,1,0]=4 8323 B12R1.483 CCSCCC(=O)NC1CCC1 11a_100000749019_100000230768 [1,0,0,1,0,0|2,0,0]=4 8324 B12R1.483 CCSCCC(=O)NC1CCC1 1626a_100000749019_100000230768 [1,0,0,1,0,0|2,0,0]=4 8325 B12R1.483 CCSCCC(=O)NC1CCC1 240690a_100000749019_100000230768 [1,0,0,1,0,0|2,0,0]=4 8326 B12R1.483 CCSCCC(=O)NC1CCC1 527a_100000749019_100000230768 [1,0,0,1,0,0|2,0,0]=4 8327 B12R1.483 CCSCCC(=O)NC1CSC1 11a_100016994217_100000230768 [1,0,0,1,0,0|2,0,0]=4 8328 B12R1.483 CCSCCC(=O)NC1CSC1 1626a_100016994217_100000230768 [1,0,0,1,0,0|2,0,0]=4 8329 B12R1.483 CCSCCC(=O)NC1CSC1 240690a_100016994217_100000230768 [1,0,0,1,0,0|2,0,0]=4 8330 B12R1.483 CCSCCC(=O)NC1CSC1 527a_100016994217_100000230768 [1,0,0,1,0,0|2,0,0]=4 8331 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000741012_100000763275 [1,0,0,1,0,0|0,1,0]=3 8332 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000763092_100000740836 [1,0,0,1,0,0|0,1,0]=3 8333 B12R1.483 COCCCC(=O)CC1CCO1 1458a_100000741012_100000103362 [1,0,0,1,0,0|1,1,0]=4 8334 B12R1.483 COCCCC(=O)CC1COC1 1458a_100000687760_100000740836 [1,0,0,1,0,0|1,1,0]=4 8335 B12R1.483 COCCCC(=O)CC1COC1 1458a_100000741012_100010264016 [1,0,0,1,0,0|1,1,0]=4 8336 B12R1.483 COCCCC(=O)NC1CCC1 11a_100000749019_100000741012 [1,0,0,1,0,0|1,1,0]=4 8337 B12R1.483 COCCCC(=O)NC1CCC1 1626a_100000749019_100000741012 [1,0,0,1,0,0|1,1,0]=4 8338 B12R1.483 COCCCC(=O)NC1CCC1 240690a_100000749019_100000741012 [1,0,0,1,0,0|1,1,0]=4 8339 B12R1.483 COCCCC(=O)NC1CCC1 527a_100000749019_100000741012 [1,0,0,1,0,0|1,1,0]=4 8340 B12R1.483 COCCCC(=O)NC1CSC1 11a_100016994217_100000741012 [1,0,0,1,0,0|2,0,0]=4 8341 B12R1.483 COCCCC(=O)NC1CSC1 1626a_100016994217_100000741012 [1,0,0,1,0,0|2,0,0]=4 8342 B12R1.483 COCCCC(=O)NC1CSC1 240690a_100016994217_100000741012 [1,0,0,1,0,0|2,0,0]=4 8343 B12R1.483 COCCCC(=O)NC1CSC1 527a_100016994217_100000741012 [1,0,0,1,0,0|2,0,0]=4 8344 B12R1.483 COCCNC(=O)CC1CCC1 1626a_100000209980_100000763092 [1,0,0,1,0,0|1,1,0]=4 8345 B12R1.483 COCCNC(=O)CC1CCC1 240690a_100000209980_100000763092 [1,0,0,1,0,0|1,1,0]=4 8346 B12R1.483 COCCNC(=O)CC1CCC1 527a_100000209980_100000763092 [1,0,0,1,0,0|1,1,0]=4 8347 B12R1.483 COCCOC(=O)CN1CCC1 269982a_100000754969_200000040189 [1,0,0,1,0,0|1,1,0]=4 8348 B12R1.483 CSCCCC(=O)CC1CCC1 1458a_100000173376_100000763275 [1,0,0,1,0,0|0,0,0]=2 8349 B12R1.483 CSCCCC(=O)CC1CCO1 1458a_100000173376_100000103362 [1,0,0,1,0,0|1,0,0]=3 8350 B12R1.483 CSCCCC(=O)CC1COC1 1458a_100000173376_100010264016 [1,0,0,1,0,0|1,0,0]=3 8351 B12R1.483 CSCCCC(=O)NC1CCC1 11a_100000749019_100000173376 [1,0,0,1,0,0|1,0,0]=3 8352 B12R1.483 CSCCCC(=O)NC1CCC1 1626a_100000749019_100000173376 [1,0,0,1,0,0|1,0,0]=3 8353 B12R1.483 CSCCCC(=O)NC1CCC1 240690a_100000749019_100000173376 [1,0,0,1,0,0|1,0,0]=3 8354 B12R1.483 CSCCCC(=O)NC1CCC1 527a_100000749019_100000173376 [1,0,0,1,0,0|1,0,0]=3 8355 B12R1.483 CSCCCC(=O)NC1COC1 11a_100016991112_100000173376 [1,0,0,1,0,0|2,0,0]=4 8356 B12R1.483 CSCCCC(=O)NC1COC1 1626a_100016991112_100000173376 [1,0,0,1,0,0|2,0,0]=4 8357 B12R1.483 CSCCCC(=O)NC1COC1 240690a_100016991112_100000173376 [1,0,0,1,0,0|2,0,0]=4 8358 B12R1.483 CSCCCC(=O)NC1COC1 527a_100016991112_100000173376 [1,0,0,1,0,0|2,0,0]=4 8359 B12R1.483 CSCCCC(=O)NC1CSC1 11a_100016994217_100000173376 [1,0,0,1,0,0|2,0,0]=4 8360 B12R1.483 CSCCCC(=O)NC1CSC1 1626a_100016994217_100000173376 [1,0,0,1,0,0|2,0,0]=4 8361 B12R1.483 CSCCCC(=O)NC1CSC1 240690a_100016994217_100000173376 [1,0,0,1,0,0|2,0,0]=4 8362 B12R1.483 CSCCCC(=O)NC1CSC1 527a_100016994217_100000173376 [1,0,0,1,0,0|2,0,0]=4 8363 B12R1.483 CSCCNC(=O)CC1CCC1 11a_100020590264_100000763092 [1,0,0,1,0,0|1,0,0]=3 8364 B12R1.483 CSCCNC(=O)CC1CCC1 1626a_100020590264_100000763092 [1,0,0,1,0,0|1,0,0]=3 8365 B12R1.483 CSCCNC(=O)CC1CCC1 240690a_100020590264_100000763092 [1,0,0,1,0,0|1,0,0]=3 8366 B12R1.483 CSCCNC(=O)CC1CCC1 527a_100020590264_100000763092 [1,0,0,1,0,0|1,0,0]=3 8367 B12R1.483 CSCCNC(=O)CC1COC1 11a_100020590264_100000687760 [1,0,0,1,0,0|2,0,0]=4 8368 B12R1.483 CSCCNC(=O)CC1COC1 1626a_100020590264_100000687760 [1,0,0,1,0,0|2,0,0]=4 8369 B12R1.483 CSCCNC(=O)NC1CCC1 2708a_100020590264_100000749019 [1,0,0,1,0,0|2,0,0]=4 8370 B12R1.483 CSCCNC(=O)NC1CCC1 273464a_100000749019_100020590264 [1,0,0,1,0,0|2,0,0]=4 8371 B12R1.483 CSCCNC(=O)NC1CCC1 273464a_100020590264_100000749019 [1,0,0,1,0,0|2,0,0]=4 8372 B12R1.483 CSCCNC(=O)NC1CCC1 512a_100000749019_100020590264 [1,0,0,1,0,0|2,0,0]=4 8373 B12R1.483 CSCCNC(=O)NC1CCC1 512a_100020590264_100000749019 [1,0,0,1,0,0|2,0,0]=4 8374 B12R1.483 N#CCCCC(=O)CC1CCC1 1458a_100000075515_100000763275 [1,0,0,1,0,0|2,0,0]=4 8375 B12R1.483 N#CCCCC(=O)CC1CCC1 1458a_100000763092_100000211468 [1,0,0,1,0,0|2,0,0]=4 8376 B12R1.483 O=C(CC1CCC1)NCCCF 11a_100015189416_100000763092 [1,0,0,1,0,0|2,0,0]=4 8377 B12R1.483 O=C(CC1CCC1)NCCCF 1626a_100015189416_100000763092 [1,0,0,1,0,0|2,0,0]=4 8378 B12R1.483 O=C(CC1CCC1)NCCCF 240690a_100015189416_100000763092 [1,0,0,1,0,0|2,0,0]=4 8379 B12R1.483 O=C(CC1CCC1)NCCCF 527a_100015189416_100000763092 [1,0,0,1,0,0|2,0,0]=4 8380 B12R1.483 O=C(CC1CCC1)NCCCO 240690a_100000182051_100000763092 [1,0,0,1,0,0|1,1,0]=4 8381 B12R1.483 O=C(CC1CCC1)NCCCO 527a_100000182051_100000763092 [1,0,0,1,0,0|1,1,0]=4 8382 B12R1.483 O=C(CCCCF)CC1CCC1 1458a_100000763092_100000729493 [1,0,0,1,0,0|2,0,0]=4 8383 B12R1.483 O=C(CCCCF)CC1COC1 1458a_100000687760_100000729493 [1,0,0,1,0,0|1,1,0]=4 8384 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000695505_100000763275 [1,0,0,1,0,0|1,1,0]=4 8385 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000763092_100000210776 [1,0,0,1,0,0|1,1,0]=4 8386 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000687760_100000210776 [1,0,0,1,0,0|1,1,0]=4 8387 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000695505_100010264016 [1,0,0,1,0,0|1,1,0]=4 8388 B12R1.483 O=C(CCCCO)NC1CCC1 1626a_100000749019_100000695505 [1,0,0,1,0,0|2,0,0]=4 8389 B12R1.483 O=C(CCCCO)NC1CSC1 1626a_100016994217_100000695505 [1,0,0,1,0,0|2,0,0]=4 8390 B12R1.484 C#CCCCC(=O)CCC1CC1 1458a_100000690238_100000694398 [1,0,0,1,0,0|1,0,1]=4 8391 B12R1.484 C#CCCCC(=O)CCC1CC1 1458a_100000756386_100000731252 [1,0,0,1,0,0|1,0,1]=4 8392 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000756386_100000757094 [1,0,0,1,0,0|1,0,1]=4 8393 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000766728_100000694398 [1,0,0,1,0,0|1,0,1]=4 8394 B12R1.484 CCCC#CC(=O)CCC1CC1 1458a_200011218047_100000694398 [1,0,0,1,0,0|1,0,1]=4 8395 B12R1.484 CCCC=CC(=O)CCC1CC1 1458a_100000212230_100000694398 [1,0,0,1,0,0|1,0,1]=4 8396 B12R1.484 CCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210326 [1,0,0,1,0,0|1,0,1]=4 8397 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000212188_100000694398 [1,0,0,1,0,0|1,0,0]=3 8398 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000756386_100000210326 [1,0,0,1,0,0|1,0,0]=3 8399 B12R1.484 CCCCCC(=O)CCC1CO1 1458a_100000212188_100000732470 [1,0,0,1,0,0|0,1,0]=3 8400 B12R1.484 CCCCCC(=O)CNC1CC1 34a_100000212008_200012276598 [1,0,0,1,0,0|2,0,0]=4 8401 B12R1.484 CCCCCC(=O)CSC1CC1 62a_200012276598_100000211595 [1,0,0,1,0,0|2,0,0]=4 8402 B12R1.484 CCCCCC(=O)NCC1CC1 11a_100000735609_100000212188 [1,0,0,1,0,0|1,0,0]=3 8403 B12R1.484 CCCCCC(=O)NCC1CC1 1626a_100000735609_100000212188 [1,0,0,1,0,0|1,0,0]=3 8404 B12R1.484 CCCCCC(=O)NCC1CC1 240690a_100000735609_100000212188 [1,0,0,1,0,0|1,0,0]=3 8405 B12R1.484 CCCCCC(=O)NCC1CC1 527a_100000735609_100000212188 [1,0,0,1,0,0|1,0,0]=3 8406 B12R1.484 CCCCCC(=O)NNC1CC1 22a_100000701032_100000212188 [1,0,0,1,0,0|2,0,0]=4 8407 B12R1.484 CCCCCC(C)OCC1CC1 34a_100000211283_200011218191 [1,0,0,1,0,0|1,0,1]=4 8408 B12R1.484 CCCCCC(C)OCC1CC1 34a_100011215632_100000742324 [1,0,0,1,0,0|1,0,1]=4 8409 B12R1.484 CCCCCC(C)OCC1CC1 7a_100011215632_100000742324 [1,0,0,1,0,0|1,0,1]=4 8410 B12R1.484 CCCCCC(C)OCC1CS1 7a_100011215632_100000031435 [1,0,0,1,0,0|1,0,1]=4 8411 B12R1.484 CCCCNC(=O)CCC1CC1 11a_100000102301_100000756386 [1,0,0,1,0,0|1,0,0]=3 8412 B12R1.484 CCCCNC(=O)CCC1CC1 1626a_100000102301_100000756386 [1,0,0,1,0,0|1,0,0]=3 8413 B12R1.484 CCCCNC(=O)CCC1CC1 240690a_100000102301_100000756386 [1,0,0,1,0,0|1,0,0]=3 8414 B12R1.484 CCCCNC(=O)CCC1CC1 527a_100000102301_100000756386 [1,0,0,1,0,0|1,0,0]=3 8415 B12R1.484 CCCCNC(=O)CNC1CC1 34a_100000212008_100000182744 [1,0,0,1,0,0|2,0,0]=4 8416 B12R1.484 CCCCNC(=O)CSC1CC1 62a_100000182744_100000211595 [1,0,0,1,0,0|2,0,0]=4 8417 B12R1.484 CCCCNC(=O)NCC1CC1 2708a_100000102301_100000735609 [1,0,0,1,0,0|2,0,0]=4 8418 B12R1.484 CCCCNC(=O)NCC1CC1 2708a_100000735609_100000102301 [1,0,0,1,0,0|2,0,0]=4 8419 B12R1.484 CCCCNC(=O)NCC1CC1 273464a_100000102301_100000735609 [1,0,0,1,0,0|2,0,0]=4 8420 B12R1.484 CCCCNC(=O)NCC1CC1 273464a_100000735609_100000102301 [1,0,0,1,0,0|2,0,0]=4 8421 B12R1.484 CCCCNC(=O)NCC1CC1 512a_100000102301_100000735609 [1,0,0,1,0,0|2,0,0]=4 8422 B12R1.484 CCCCNC(=O)NCC1CC1 512a_100000735609_100000102301 [1,0,0,1,0,0|2,0,0]=4 8423 B12R1.484 CCCCOC(=O)CNC1CC1 34a_100000212008_100000211628 [1,0,0,1,0,0|1,0,0]=3 8424 B12R1.484 CCCCOC(=O)CSC1CC1 62a_100000211628_100000211595 [1,0,0,1,0,0|1,0,0]=3 8425 B12R1.484 CCCNNC(=O)CCC1CC1 22a_100000740057_100000756386 [1,0,0,1,0,0|2,0,0]=4 8426 B12R1.484 CCCOCC(=O)CCC1CC1 1458a_100000745993_100000694398 [1,0,0,1,0,0|2,0,0]=4 8427 B12R1.484 CCCOCC(=O)CCC1CO1 1458a_100000745993_100000732470 [1,0,0,1,0,0|1,1,0]=4 8428 B12R1.484 CCCOCC(=O)NCC1CC1 11a_100000735609_100000745993 [1,0,0,1,0,0|2,0,0]=4 8429 B12R1.484 CCCOCC(=O)NCC1CC1 1626a_100000735609_100000745993 [1,0,0,1,0,0|2,0,0]=4 8430 B12R1.484 CCCOCC(=O)NCC1CC1 240690a_100000735609_100000745993 [1,0,0,1,0,0|2,0,0]=4 8431 B12R1.484 CCCOCC(=O)NCC1CC1 527a_100000735609_100000745993 [1,0,0,1,0,0|2,0,0]=4 8432 B12R1.484 CCCSCC(=O)CCC1CC1 1458a_100000217233_100000694398 [1,0,0,1,0,0|2,0,0]=4 8433 B12R1.484 CCCSCC(=O)CCC1CO1 1458a_100000217233_100000732470 [1,0,0,1,0,0|1,1,0]=4 8434 B12R1.484 CCCSCC(=O)NCC1CC1 11a_100000735609_100000217233 [1,0,0,1,0,0|2,0,0]=4 8435 B12R1.484 CCCSCC(=O)NCC1CC1 1626a_100000735609_100000217233 [1,0,0,1,0,0|2,0,0]=4 8436 B12R1.484 CCCSCC(=O)NCC1CC1 240690a_100000735609_100000217233 [1,0,0,1,0,0|2,0,0]=4 8437 B12R1.484 CCCSCC(=O)NCC1CC1 527a_100000735609_100000217233 [1,0,0,1,0,0|2,0,0]=4 8438 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000749530_100000694398 [1,0,0,1,0,0|2,0,0]=4 8439 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000756386_100011215890 [1,0,0,1,0,0|2,0,0]=4 8440 B12R1.484 CCOCCC(=O)CCC1CO1 1458a_100000749530_100000732470 [1,0,0,1,0,0|1,1,0]=4 8441 B12R1.484 CCOCCC(=O)NCC1CC1 11a_100000735609_100000749530 [1,0,0,1,0,0|2,0,0]=4 8442 B12R1.484 CCOCCC(=O)NCC1CC1 1626a_100000735609_100000749530 [1,0,0,1,0,0|2,0,0]=4 8443 B12R1.484 CCOCCC(=O)NCC1CC1 240690a_100000735609_100000749530 [1,0,0,1,0,0|2,0,0]=4 8444 B12R1.484 CCOCCC(=O)NCC1CC1 527a_100000735609_100000749530 [1,0,0,1,0,0|2,0,0]=4 8445 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000230768_100000694398 [1,0,0,1,0,0|2,0,0]=4 8446 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000756386_100000757381 [1,0,0,1,0,0|2,0,0]=4 8447 B12R1.484 CCSCCC(=O)CCC1CO1 1458a_100000230768_100000732470 [1,0,0,1,0,0|1,1,0]=4 8448 B12R1.484 CCSCCC(=O)NCC1CC1 11a_100000735609_100000230768 [1,0,0,1,0,0|2,0,0]=4 8449 B12R1.484 CCSCCC(=O)NCC1CC1 1626a_100000735609_100000230768 [1,0,0,1,0,0|2,0,0]=4 8450 B12R1.484 CCSCCC(=O)NCC1CC1 240690a_100000735609_100000230768 [1,0,0,1,0,0|2,0,0]=4 8451 B12R1.484 CCSCCC(=O)NCC1CC1 527a_100000735609_100000230768 [1,0,0,1,0,0|2,0,0]=4 8452 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000741012_100000694398 [1,0,0,1,0,0|0,1,0]=3 8453 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000756386_100000740836 [1,0,0,1,0,0|0,1,0]=3 8454 B12R1.484 COCCCC(=O)CCC1CO1 1458a_100000741012_100000732470 [1,0,0,1,0,0|1,1,0]=4 8455 B12R1.484 COCCCC(=O)NCC1CC1 11a_100000735609_100000741012 [1,0,0,1,0,0|1,1,0]=4 8456 B12R1.484 COCCCC(=O)NCC1CC1 1626a_100000735609_100000741012 [1,0,0,1,0,0|1,1,0]=4 8457 B12R1.484 COCCCC(=O)NCC1CC1 240690a_100000735609_100000741012 [1,0,0,1,0,0|1,1,0]=4 8458 B12R1.484 COCCCC(=O)NCC1CC1 527a_100000735609_100000741012 [1,0,0,1,0,0|1,1,0]=4 8459 B12R1.484 COCCNC(=O)CCC1CC1 1626a_100000209980_100000756386 [1,0,0,1,0,0|1,1,0]=4 8460 B12R1.484 COCCNC(=O)CCC1CC1 240690a_100000209980_100000756386 [1,0,0,1,0,0|1,1,0]=4 8461 B12R1.484 COCCNC(=O)CCC1CC1 527a_100000209980_100000756386 [1,0,0,1,0,0|1,1,0]=4 8462 B12R1.484 COCCOC(=O)CNC1CC1 34a_100000212008_200000040189 [1,0,0,1,0,0|1,1,0]=4 8463 B12R1.484 COCCOC(=O)CSC1CC1 62a_200000040189_100000211595 [1,0,0,1,0,0|1,1,0]=4 8464 B12R1.484 CSCCCC(=O)CCC1CC1 1458a_100000173376_100000694398 [1,0,0,1,0,0|0,0,0]=2 8465 B12R1.484 CSCCCC(=O)CCC1CO1 1458a_100000173376_100000732470 [1,0,0,1,0,0|1,0,0]=3 8466 B12R1.484 CSCCCC(=O)NCC1CC1 11a_100000735609_100000173376 [1,0,0,1,0,0|1,0,0]=3 8467 B12R1.484 CSCCCC(=O)NCC1CC1 1626a_100000735609_100000173376 [1,0,0,1,0,0|1,0,0]=3 8468 B12R1.484 CSCCCC(=O)NCC1CC1 240690a_100000735609_100000173376 [1,0,0,1,0,0|1,0,0]=3 8469 B12R1.484 CSCCCC(=O)NCC1CC1 527a_100000735609_100000173376 [1,0,0,1,0,0|1,0,0]=3 8470 B12R1.484 CSCCCC(=O)NNC1CC1 22a_100000701032_100000173376 [1,0,0,1,0,0|2,0,0]=4 8471 B12R1.484 CSCCNC(=O)CCC1CC1 11a_100020590264_100000756386 [1,0,0,1,0,0|1,0,0]=3 8472 B12R1.484 CSCCNC(=O)CCC1CC1 1626a_100020590264_100000756386 [1,0,0,1,0,0|1,0,0]=3 8473 B12R1.484 CSCCNC(=O)CCC1CC1 240690a_100020590264_100000756386 [1,0,0,1,0,0|1,0,0]=3 8474 B12R1.484 CSCCNC(=O)CCC1CC1 527a_100020590264_100000756386 [1,0,0,1,0,0|1,0,0]=3 8475 B12R1.484 CSCCNC(=O)NCC1CC1 2708a_100000735609_100020590264 [1,0,0,1,0,0|2,0,0]=4 8476 B12R1.484 CSCCNC(=O)NCC1CC1 2708a_100020590264_100000735609 [1,0,0,1,0,0|2,0,0]=4 8477 B12R1.484 CSCCNC(=O)NCC1CC1 273464a_100000735609_100020590264 [1,0,0,1,0,0|2,0,0]=4 8478 B12R1.484 CSCCNC(=O)NCC1CC1 273464a_100020590264_100000735609 [1,0,0,1,0,0|2,0,0]=4 8479 B12R1.484 CSCCNC(=O)NCC1CC1 512a_100000735609_100020590264 [1,0,0,1,0,0|2,0,0]=4 8480 B12R1.484 CSCCNC(=O)NCC1CC1 512a_100020590264_100000735609 [1,0,0,1,0,0|2,0,0]=4 8481 B12R1.484 N#CCCCC(=O)CCC1CC1 1458a_100000075515_100000694398 [1,0,0,1,0,0|2,0,0]=4 8482 B12R1.484 N#CCCCC(=O)CCC1CC1 1458a_100000756386_100000211468 [1,0,0,1,0,0|2,0,0]=4 8483 B12R1.484 O=C(CCC1CC1)NCCCF 11a_100015189416_100000756386 [1,0,0,1,0,0|2,0,0]=4 8484 B12R1.484 O=C(CCC1CC1)NCCCF 1626a_100015189416_100000756386 [1,0,0,1,0,0|2,0,0]=4 8485 B12R1.484 O=C(CCC1CC1)NCCCF 240690a_100015189416_100000756386 [1,0,0,1,0,0|2,0,0]=4 8486 B12R1.484 O=C(CCC1CC1)NCCCF 527a_100015189416_100000756386 [1,0,0,1,0,0|2,0,0]=4 8487 B12R1.484 O=C(CCC1CC1)NCCCO 240690a_100000182051_100000756386 [1,0,0,1,0,0|1,1,0]=4 8488 B12R1.484 O=C(CCC1CC1)NCCCO 527a_100000182051_100000756386 [1,0,0,1,0,0|1,1,0]=4 8489 B12R1.484 O=C(CCCCF)CCC1CC1 1458a_100000756386_100000729493 [1,0,0,1,0,0|2,0,0]=4 8490 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000695505_100000694398 [1,0,0,1,0,0|1,1,0]=4 8491 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000756386_100000210776 [1,0,0,1,0,0|1,1,0]=4 8492 B12R1.484 O=C(CCCCO)CCC1CO1 1458a_100000695505_100000732470 [1,0,0,1,0,0|1,1,0]=4 8493 B12R1.484 O=C(CCCCO)NCC1CC1 1626a_100000735609_100000695505 [1,0,0,1,0,0|2,0,0]=4 8494 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [1,0,0,1,0,0|2,0,0]=4 8495 B12R1.485 CCCCCC(=O)N1CCC1C 11a_100000755817_100000212188 [1,0,0,1,0,0|1,0,0]=3 8496 B12R1.485 CCCCCC(=O)N1CCC1C 240690a_100000755817_100000212188 [1,0,0,1,0,0|1,0,0]=3 8497 B12R1.485 CCCCCC(=O)N1CCC1C 527a_100000755817_100000212188 [1,0,0,1,0,0|1,0,0]=3 8498 B12R1.485 CCCCNC(=O)N1CCC1C 2708a_100000102301_100000755817 [1,0,0,1,0,0|2,0,0]=4 8499 B12R1.485 CCCCNC(=O)N1CCC1C 273464a_100000102301_100000755817 [1,0,0,1,0,0|2,0,0]=4 8500 B12R1.485 CCCOCC(=O)N1CCC1C 11a_100000755817_100000745993 [1,0,0,1,0,0|2,0,0]=4 8501 B12R1.485 CCCOCC(=O)N1CCC1C 240690a_100000755817_100000745993 [1,0,0,1,0,0|2,0,0]=4 8502 B12R1.485 CCCOCC(=O)N1CCC1C 527a_100000755817_100000745993 [1,0,0,1,0,0|2,0,0]=4 8503 B12R1.485 CCCSCC(=O)N1CCC1C 11a_100000755817_100000217233 [1,0,0,1,0,0|2,0,0]=4 8504 B12R1.485 CCCSCC(=O)N1CCC1C 240690a_100000755817_100000217233 [1,0,0,1,0,0|2,0,0]=4 8505 B12R1.485 CCCSCC(=O)N1CCC1C 527a_100000755817_100000217233 [1,0,0,1,0,0|2,0,0]=4 8506 B12R1.485 CCOCCC(=O)N1CCC1C 11a_100000755817_100000749530 [1,0,0,1,0,0|2,0,0]=4 8507 B12R1.485 CCOCCC(=O)N1CCC1C 240690a_100000755817_100000749530 [1,0,0,1,0,0|2,0,0]=4 8508 B12R1.485 CCOCCC(=O)N1CCC1C 527a_100000755817_100000749530 [1,0,0,1,0,0|2,0,0]=4 8509 B12R1.485 CCSCCC(=O)N1CCC1C 11a_100000755817_100000230768 [1,0,0,1,0,0|2,0,0]=4 8510 B12R1.485 CCSCCC(=O)N1CCC1C 240690a_100000755817_100000230768 [1,0,0,1,0,0|2,0,0]=4 8511 B12R1.485 CCSCCC(=O)N1CCC1C 527a_100000755817_100000230768 [1,0,0,1,0,0|2,0,0]=4 8512 B12R1.485 COCCCC(=O)N1CCC1C 11a_100000755817_100000741012 [1,0,0,1,0,0|1,1,0]=4 8513 B12R1.485 COCCCC(=O)N1CCC1C 240690a_100000755817_100000741012 [1,0,0,1,0,0|1,1,0]=4 8514 B12R1.485 COCCCC(=O)N1CCC1C 527a_100000755817_100000741012 [1,0,0,1,0,0|1,1,0]=4 8515 B12R1.485 CSCCCC(=O)C1CCC1=O 1458a_100000173376_100009892977 [1,0,0,1,0,0|1,0,1]=4 8516 B12R1.485 CSCCCC(=O)N1CCC1C 11a_100000755817_100000173376 [1,0,0,1,0,0|1,0,0]=3 8517 B12R1.485 CSCCCC(=O)N1CCC1C 240690a_100000755817_100000173376 [1,0,0,1,0,0|1,0,0]=3 8518 B12R1.485 CSCCCC(=O)N1CCC1C 527a_100000755817_100000173376 [1,0,0,1,0,0|1,0,0]=3 8519 B12R1.485 CSCCNC(=O)N1CCC1C 2708a_100020590264_100000755817 [1,0,0,1,0,0|2,0,0]=4 8520 B12R1.485 CSCCNC(=O)N1CCC1C 273464a_100020590264_100000755817 [1,0,0,1,0,0|2,0,0]=4 8521 B12R1.1997 CCCCOC1(CCCCC1)C 34a_100011215885_100000210210 [1,0,0,1,0,0|1,0,1]=4 8522 B12R1.1997 CCCCOC1(CCCCC1)C 7a_100011215885_100000210211 [1,0,0,1,0,0|1,0,1]=4 8523 B12R1.1997 CSCCOC1(CCCCC1)C 34a_100011215885_100000212216 [1,0,0,1,0,0|1,0,1]=4 8524 B12R1.1997 CSCCOC1(CCCCC1)C 7a_100011215885_100000212216 [1,0,0,1,0,0|1,0,1]=4 8525 B14R1.37 CCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210757 [0,1,0,1,0,0|2,0,0]=4 8526 B14R1.37 CCCCCNC(=O)C1CCC(C1)O 1626a_100000209983_100000688591 [0,1,0,1,0,0|2,0,0]=4 8527 B14R1.37 CCCCCNC(=O)C1CCC(C1)O 240690a_100000209983_100000688591 [0,1,0,1,0,0|2,0,0]=4 8528 B14R1.37 COCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000755781 [0,1,0,1,0,0|1,1,0]=4 8529 B14R1.37 COCCCNC(=O)C1CCC(C1)O 1626a_100150723488_100000688591 [0,1,0,1,0,0|1,1,0]=4 8530 B14R1.37 COCCCNC(=O)C1CCC(C1)O 240690a_100150723488_100000688591 [0,1,0,1,0,0|1,1,0]=4 8531 B14R1.37 CSCCCNC(=O)C1CCC(C1)O 1626a_100000749238_100000688591 [0,1,0,1,0,0|1,0,0]=3 8532 B14R1.37 CSCCCNC(=O)C1CCC(C1)O 240690a_100000749238_100000688591 [0,1,0,1,0,0|1,0,0]=3 8533 B14R1.37 CSCCCNC(=O)C1CCN(C1)C 240690a_100000749238_100000739633 [0,1,0,1,0,0|2,0,0]=4 8534 B14R1.37 CSCCCNC(=O)C1CCN(C1)C 527a_100000749238_100000739633 [0,1,0,1,0,0|2,0,0]=4 8535 B14R1.37 CSCCCNC(=O)N1CCC(C1)O 2708a_100000749238_100011215560 [0,1,0,1,0,0|2,0,0]=4 8536 B14R1.37 CSCCCNC(=O)N1CCC(C1)O 273464a_100000749238_100011215560 [0,1,0,1,0,0|2,0,0]=4 8537 B14R1.37 CSCCCNC(=O)N1CC[C@@H](C1)F 2708a_100000749238_100015203821 [0,1,0,1,0,0|2,0,0]=4 8538 B14R1.37 CSCCCNC(=O)N1CC[C@@H](C1)F 273464a_100000749238_100015203821 [0,1,0,1,0,0|2,0,0]=4 8539 B14R1.37 CSCCCNC(=O)N1CC[C@H](C1)C 2708a_100000749238_100016987628 [0,1,0,1,0,0|2,0,0]=4 8540 B14R1.37 CSCCCNC(=O)N1CC[C@H](C1)C 273464a_100000749238_100016987628 [0,1,0,1,0,0|2,0,0]=4 8541 B14R1.420 CC(C)CCCC(=O)C1CCCCC1 1458a_100000210647_100011214892 [0,1,0,1,0,0|2,0,0]=4 8542 B14R1.420 CC(C)CCCC(=O)C1CCCCC1 1458a_100011216857_100000210327 [0,1,0,1,0,0|2,0,0]=4 8543 B14R1.420 CC(C)CCCC(=O)C1CCCOC1 1458a_100000741522_100011214892 [0,1,0,1,0,0|1,1,0]=4 8544 B14R1.420 CC(C)CCCC(=O)C1CCCOC1 1458a_100011216857_100000693364 [0,1,0,1,0,0|1,1,0]=4 8545 B14R1.420 CC(C)CCCC(=O)N1CCCOC1 11a_100000131196_100011216857 [0,1,0,1,0,0|1,1,0]=4 8546 B14R1.420 CC(C)CCCC(=O)N1CCCOC1 240690a_100000131196_100011216857 [0,1,0,1,0,0|1,1,0]=4 8547 B14R1.420 CC(O)CCCC(=O)C1CCCCC1 1458a_100000210647_200000718107 [0,1,0,1,0,0|2,0,0]=4 8548 B14R1.420 CC(O)CCCC(=O)C1CCCOC1 1458a_100000741522_200000718107 [0,1,0,1,0,0|1,1,0]=4 8549 B14R1.810 CC(C)CCCC(=O)CC1CCCC1 1458a_100000210891_100011214892 [0,1,0,1,0,0|2,0,0]=4 8550 B14R1.810 CC(C)CCCC(=O)CC1CCCC1 1458a_100011216857_100000740388 [0,1,0,1,0,0|2,0,0]=4 8551 B14R1.810 CC(C)CCCC(=O)CC1CCOC1 1458a_100011216857_100000702531 [0,1,0,1,0,0|1,1,0]=4 8552 B14R1.810 CC(C)CCCC(=O)CC1CCOC1 1458a_100011218419_100011214892 [0,1,0,1,0,0|1,1,0]=4 8553 B14R1.810 CC(C)CCCC(=O)NC1CCCC1 11a_100000211070_100011216857 [0,1,0,1,0,0|2,0,0]=4 8554 B14R1.810 CC(C)CCCC(=O)NC1CCCC1 1626a_100000211070_100011216857 [0,1,0,1,0,0|2,0,0]=4 8555 B14R1.810 CC(C)CCCC(=O)NC1CCCC1 240690a_100000211070_100011216857 [0,1,0,1,0,0|2,0,0]=4 8556 B14R1.810 CC(C)CCCC(=O)NC1CCCC1 527a_100000211070_100011216857 [0,1,0,1,0,0|2,0,0]=4 8557 B14R1.810 CC(C)CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100011216857 [0,1,0,1,0,0|1,1,0]=4 8558 B14R1.810 CC(C)CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100011216857 [0,1,0,1,0,0|1,1,0]=4 8559 B14R1.810 CC(C)CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100011216857 [0,1,0,1,0,0|1,1,0]=4 8560 B14R1.810 CC(C)CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100011216857 [0,1,0,1,0,0|1,1,0]=4 8561 B14R1.810 CC(C)CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100011216857 [0,1,0,1,0,0|1,1,0]=4 8562 B14R1.810 CC(C)CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100011216857 [0,1,0,1,0,0|1,1,0]=4 8563 B14R1.810 CC(O)CCCC(=O)CC1CCCC1 1458a_100000210891_200000718107 [0,1,0,1,0,0|2,0,0]=4 8564 B14R1.810 CC(O)CCCC(=O)CC1CCOC1 1458a_100011218419_200000718107 [0,1,0,1,0,0|1,1,0]=4 8565 B14R1.810 CC(O)CCCC(=O)NC1CCCC1 1626a_100000211070_100000761597 [0,1,0,1,0,0|2,0,0]=4 8566 B14R1.810 CC(O)CCCC(=O)NC1CCCC1 527a_100000211070_100000761597 [0,1,0,1,0,0|2,0,0]=4 8567 B14R1.810 CC(O)CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000761597 [0,1,0,1,0,0|1,1,0]=4 8568 B14R1.810 CC(O)CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000761597 [0,1,0,1,0,0|1,1,0]=4 8569 B14R1.810 CC(O)CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000761597 [0,1,0,1,0,0|1,1,0]=4 8570 B14R1.1469 CC(C)CCCC(=O)NCC1CCC1 11a_100000738700_100011216857 [0,1,0,1,0,0|2,0,0]=4 8571 B14R1.1469 CC(C)CCCC(=O)NCC1CCC1 1626a_100000738700_100011216857 [0,1,0,1,0,0|2,0,0]=4 8572 B14R1.1469 CC(C)CCCC(=O)NCC1CCC1 240690a_100000738700_100011216857 [0,1,0,1,0,0|2,0,0]=4 8573 B14R1.1469 CC(C)CCCC(=O)NCC1CCC1 527a_100000738700_100011216857 [0,1,0,1,0,0|2,0,0]=4 8574 B14R1.1469 CC(C)CCCC(=O)NCC1COC1 11a_100015281925_100011216857 [0,1,0,1,0,0|1,1,0]=4 8575 B14R1.1469 CC(C)CCCC(=O)NCC1COC1 1626a_100015281925_100011216857 [0,1,0,1,0,0|1,1,0]=4 8576 B14R1.1469 CC(C)CCCC(=O)NCC1COC1 240690a_100015281925_100011216857 [0,1,0,1,0,0|1,1,0]=4 8577 B14R1.1469 CC(C)CCCC(=O)NCC1COC1 527a_100015281925_100011216857 [0,1,0,1,0,0|1,1,0]=4 8578 B14R1.1469 CC(O)CCCC(=O)NCC1CCC1 1626a_100000738700_100000761597 [0,1,0,1,0,0|2,0,0]=4 8579 B14R1.1469 CC(O)CCCC(=O)NCC1CCC1 527a_100000738700_100000761597 [0,1,0,1,0,0|2,0,0]=4 8580 B14R1.1469 CC(O)CCCC(=O)NCC1COC1 1626a_100015281925_100000761597 [0,1,0,1,0,0|1,1,0]=4 8581 B14R1.1469 CC(O)CCCC(=O)NCC1COC1 527a_100015281925_100000761597 [0,1,0,1,0,0|1,1,0]=4 8582 B14R1.1470 CC(C)CCCC(=O)CCCC1CO1 1458a_100011216857_100000733510 [0,1,0,1,0,0|1,1,0]=4 8583 B14R1.1470 CC(C)CCCC(=O)NCCC1CC1 1626a_100000764129_100011216857 [0,1,0,1,0,0|2,0,0]=4 8584 B14R1.1470 CC(C)CCCC(=O)NCCC1CC1 240690a_100000764129_100011216857 [0,1,0,1,0,0|2,0,0]=4 8585 B14R1.1470 CC(C)CCCC(=O)NCCC1CC1 527a_100000764129_100011216857 [0,1,0,1,0,0|2,0,0]=4 8586 B14R1.1470 CC(O)CCCC(=O)NCCC1CC1 1626a_100000764129_100000761597 [0,1,0,1,0,0|2,0,0]=4 8587 B14R1.1470 CC(O)CCCC(=O)NCCC1CC1 527a_100000764129_100000761597 [0,1,0,1,0,0|2,0,0]=4 8588 B14R1.3362 CSCCCNC(=O)NC1CC(C1)F 2708a_100000749238_100016993743 [0,1,0,1,0,0|2,0,0]=4 8589 B14R1.3362 CSCCCNC(=O)NC1CC(C1)F 2708a_100016993743_100000749238 [0,1,0,1,0,0|2,0,0]=4 8590 B14R1.3362 CSCCCNC(=O)NC1CC(C1)F 273464a_100000749238_100016993743 [0,1,0,1,0,0|2,0,0]=4 8591 B14R1.3362 CSCCCNC(=O)NC1CC(C1)F 273464a_100016993743_100000749238 [0,1,0,1,0,0|2,0,0]=4 8592 B14R1.3362 CSCCCNC(=O)NC1CC(C1)F 512a_100000749238_100016993743 [0,1,0,1,0,0|2,0,0]=4 8593 B14R1.3362 CSCCCNC(=O)NC1CC(C1)F 512a_100016993743_100000749238 [0,1,0,1,0,0|2,0,0]=4 8594 B14R1.3362 CSCCCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100000749238_100020629032 [0,1,0,1,0,0|2,0,0]=4 8595 B14R1.3362 CSCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100000749238_100020629032 [0,1,0,1,0,0|2,0,0]=4 8596 B14R1.3362 CSCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100000749238 [0,1,0,1,0,0|2,0,0]=4 8597 B14R1.3362 CSCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100000749238_100020629032 [0,1,0,1,0,0|2,0,0]=4 8598 B14R1.3362 CSCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100000749238 [0,1,0,1,0,0|2,0,0]=4 8599 B14R1.3685 CCCCCCC(=O)CCCC1CO1 1458a_100102632555_100000733510 [0,1,0,1,0,0|1,1,0]=4 8600 B14R1.3685 CCCCCCC(=O)CSCC1CC1 1458a_200011316215_100000210757 [0,1,0,1,0,0|2,0,0]=4 8601 B14R1.3685 CCCCCCC(=O)NCCC1CC1 1626a_100000764129_100102632555 [0,1,0,1,0,0|2,0,0]=4 8602 B14R1.3685 CCCCCCC(=O)NCCC1CC1 240690a_100000764129_100102632555 [0,1,0,1,0,0|2,0,0]=4 8603 B14R1.3685 CCCCCCC(=O)NCCC1CC1 527a_100000764129_100102632555 [0,1,0,1,0,0|2,0,0]=4 8604 B14R1.3685 CCCCCNC(=O)CNCC1CC1 2230a_100000735609_100000230301 [0,1,0,1,0,0|2,0,0]=4 8605 B14R1.3685 CCCCCNC(=O)CNCC1CC1 34a_100000735609_100000230301 [0,1,0,1,0,0|2,0,0]=4 8606 B14R1.3685 CCCCCNC(=O)COCC1CC1 34a_100000211283_100000230301 [0,1,0,1,0,0|2,0,0]=4 8607 B14R1.3685 CCCCCNC(=O)CSCC1CC1 11a_100000209983_200011316215 [0,1,0,1,0,0|2,0,0]=4 8608 B14R1.3685 CCCCCNC(=O)CSCC1CC1 1626a_100000209983_200011316215 [0,1,0,1,0,0|2,0,0]=4 8609 B14R1.3685 CCCCCNC(=O)CSCC1CC1 240690a_100000209983_200011316215 [0,1,0,1,0,0|2,0,0]=4 8610 B14R1.3685 CCCCCNC(=O)CSCC1CC1 527a_100000209983_200011316215 [0,1,0,1,0,0|2,0,0]=4 8611 B14R1.3685 CCCCCNC(=O)CSCC1CC1 62a_100000230301_100000742324 [0,1,0,1,0,0|2,0,0]=4 8612 B14R1.3685 CCCCCNC(=O)CSCC1CC1 62a_100000756562_100000230301 [0,1,0,1,0,0|2,0,0]=4 8613 B14R1.3685 CCCCCNC(=O)CSCC1CS1 62a_100000031435_100000230301 [0,1,0,1,0,0|2,0,0]=4 8614 B14R1.3685 CCCCCNC(=O)CSCC1CS1 62a_100000230301_100000031435 [0,1,0,1,0,0|2,0,0]=4 8615 B14R1.3685 CCCCCNC(=O)NCCC1CC1 2708a_100000209983_100000764129 [0,1,0,1,0,0|2,0,0]=4 8616 B14R1.3685 CCCCCNC(=O)NCCC1CC1 2708a_100000764129_100000209983 [0,1,0,1,0,0|2,0,0]=4 8617 B14R1.3685 CCCCCNC(=O)NCCC1CC1 273464a_100000209983_100000764129 [0,1,0,1,0,0|2,0,0]=4 8618 B14R1.3685 CCCCCNC(=O)NCCC1CC1 273464a_100000764129_100000209983 [0,1,0,1,0,0|2,0,0]=4 8619 B14R1.3685 CCCCCNC(=O)NCCC1CC1 512a_100000209983_100000764129 [0,1,0,1,0,0|2,0,0]=4 8620 B14R1.3685 CCCCCNC(=O)NCCC1CC1 512a_100000764129_100000209983 [0,1,0,1,0,0|2,0,0]=4 8621 B14R1.3685 CCCCOCC(=O)CCCC1CO1 1458a_100000757543_100000733510 [0,1,0,1,0,0|1,1,0]=4 8622 B14R1.3685 CCCCOCC(=O)NCCC1CC1 1626a_100000764129_100000757543 [0,1,0,1,0,0|2,0,0]=4 8623 B14R1.3685 CCCCOCC(=O)NCCC1CC1 240690a_100000764129_100000757543 [0,1,0,1,0,0|2,0,0]=4 8624 B14R1.3685 CCCCOCC(=O)NCCC1CC1 527a_100000764129_100000757543 [0,1,0,1,0,0|2,0,0]=4 8625 B14R1.3685 CCCCSCC(=O)CCCC1CO1 1458a_100000191162_100000733510 [0,1,0,1,0,0|1,1,0]=4 8626 B14R1.3685 CCCCSCC(=O)NCCC1CC1 1626a_100000764129_100000191162 [0,1,0,1,0,0|2,0,0]=4 8627 B14R1.3685 CCCCSCC(=O)NCCC1CC1 240690a_100000764129_100000191162 [0,1,0,1,0,0|2,0,0]=4 8628 B14R1.3685 CCCCSCC(=O)NCCC1CC1 527a_100000764129_100000191162 [0,1,0,1,0,0|2,0,0]=4 8629 B14R1.3685 CCOCCOC(=O)CNCC1CC1 2230a_100000735609_200000101388 [0,1,0,1,0,0|2,0,0]=4 8630 B14R1.3685 CCOCCOC(=O)CNCC1CC1 34a_100000735609_200000101388 [0,1,0,1,0,0|2,0,0]=4 8631 B14R1.3685 CCOCCOC(=O)COCC1CC1 34a_100000211283_200000101388 [0,1,0,1,0,0|2,0,0]=4 8632 B14R1.3685 CCOCCOC(=O)CSCC1CC1 62a_100000756562_200000101388 [0,1,0,1,0,0|2,0,0]=4 8633 B14R1.3685 CCOCCOC(=O)CSCC1CC1 62a_200000101388_100000742324 [0,1,0,1,0,0|2,0,0]=4 8634 B14R1.3685 COCCCCC(=O)CSCC1CC1 1458a_200011316215_100000755781 [0,1,0,1,0,0|1,1,0]=4 8635 B14R1.3685 COCCCNC(=O)CNCC1CC1 2230a_100000735609_100000183178 [0,1,0,1,0,0|1,1,0]=4 8636 B14R1.3685 COCCCNC(=O)CNCC1CC1 34a_100000735609_100000183178 [0,1,0,1,0,0|1,1,0]=4 8637 B14R1.3685 COCCCNC(=O)COCC1CC1 34a_100000211283_100000183178 [0,1,0,1,0,0|1,1,0]=4 8638 B14R1.3685 COCCCNC(=O)CSCC1CC1 1626a_100150723488_200011316215 [0,1,0,1,0,0|1,1,0]=4 8639 B14R1.3685 COCCCNC(=O)CSCC1CC1 240690a_100150723488_200011316215 [0,1,0,1,0,0|1,1,0]=4 8640 B14R1.3685 COCCCNC(=O)CSCC1CC1 527a_100150723488_200011316215 [0,1,0,1,0,0|1,1,0]=4 8641 B14R1.3685 COCCCNC(=O)CSCC1CC1 62a_100000183178_100000742324 [0,1,0,1,0,0|1,1,0]=4 8642 B14R1.3685 COCCCNC(=O)NCCC1CC1 2708a_100000764129_100150723488 [0,1,0,1,0,0|1,1,0]=4 8643 B14R1.3685 COCCCNC(=O)NCCC1CC1 2708a_100150723488_100000764129 [0,1,0,1,0,0|1,1,0]=4 8644 B14R1.3685 COCCCNC(=O)NCCC1CC1 273464a_100000764129_100150723488 [0,1,0,1,0,0|1,1,0]=4 8645 B14R1.3685 COCCCNC(=O)NCCC1CC1 273464a_100150723488_100000764129 [0,1,0,1,0,0|1,1,0]=4 8646 B14R1.3685 COCCCNC(=O)NCCC1CC1 512a_100000764129_100150723488 [0,1,0,1,0,0|1,1,0]=4 8647 B14R1.3685 CSCCCNC(=O)CSCC1CC1 11a_100000749238_200011316215 [0,1,0,1,0,0|1,0,0]=3 8648 B14R1.3685 CSCCCNC(=O)CSCC1CC1 1626a_100000749238_200011316215 [0,1,0,1,0,0|1,0,0]=3 8649 B14R1.3685 CSCCCNC(=O)CSCC1CC1 240690a_100000749238_200011316215 [0,1,0,1,0,0|1,0,0]=3 8650 B14R1.3685 CSCCCNC(=O)CSCC1CC1 527a_100000749238_200011316215 [0,1,0,1,0,0|1,0,0]=3 8651 B14R1.3685 CSCCCNC(=O)NCCC1CC1 2708a_100000749238_100000764129 [0,1,0,1,0,0|1,0,0]=3 8652 B14R1.3685 CSCCCNC(=O)NCCC1CC1 2708a_100000764129_100000749238 [0,1,0,1,0,0|1,0,0]=3 8653 B14R1.3685 CSCCCNC(=O)NCCC1CC1 273464a_100000749238_100000764129 [0,1,0,1,0,0|1,0,0]=3 8654 B14R1.3685 CSCCCNC(=O)NCCC1CC1 273464a_100000764129_100000749238 [0,1,0,1,0,0|1,0,0]=3 8655 B14R1.3685 CSCCCNC(=O)NCCC1CC1 512a_100000749238_100000764129 [0,1,0,1,0,0|1,0,0]=3 8656 B14R1.3685 CSCCCNC(=O)NCCC1CC1 512a_100000764129_100000749238 [0,1,0,1,0,0|1,0,0]=3 8657 B14R1.3685 CSCCCNC(=O)NNCC1CC1 273464a_100000749238_100000736359 [0,1,0,1,0,0|2,0,0]=4 8658 B14R1.3685 CSCCCNC(=O)NNCC1CC1 512a_100000736359_100000749238 [0,1,0,1,0,0|2,0,0]=4 8659 B14R1.3685 CSCCCNC(=O)NNCC1CC1 512a_100000749238_100000736359 [0,1,0,1,0,0|2,0,0]=4 8660 B14R1.3685 O=C(CCCCCO)CCCC1CO1 1458a_100102619762_100000733510 [0,1,0,1,0,0|1,1,0]=4 8661 B14R1.3685 O=C(CCCCCO)NCCC1CC1 240690a_100000764129_100102619762 [0,1,0,1,0,0|2,0,0]=4 8662 B14R1.4488 CC(C)CCCC(=O)C1CCCC1C 1458a_100000690547_100011214892 [0,1,0,1,0,0|2,0,0]=4 8663 B14R1.4488 CC(C)CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100011216857 [0,1,0,1,0,0|2,0,0]=4 8664 B14R1.4488 CC(C)CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100011216857 [0,1,0,1,0,0|2,0,0]=4 8665 B14R1.4488 CC(C)CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100011216857 [0,1,0,1,0,0|2,0,0]=4 8666 B14R1.4488 CC(C)CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100011216857 [0,1,0,1,0,0|2,0,0]=4 8667 B14R1.4488 CC(C)CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100011216857 [0,1,0,1,0,0|2,0,0]=4 8668 B14R1.4488 CC(C)CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011214892 [0,1,0,1,0,0|2,0,0]=4 8669 B14R1.4488 CC(O)CCCC(=O)C1CCCC1C 1458a_100000690547_200000718107 [0,1,0,1,0,0|2,0,0]=4 8670 B14R1.4488 CC(O)CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000761597 [0,1,0,1,0,0|2,0,0]=4 8671 B14R1.4488 CC(O)CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000761597 [0,1,0,1,0,0|2,0,0]=4 8672 B14R1.4488 CC(O)CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000718107 [0,1,0,1,0,0|2,0,0]=4 8673 B14R1.10521 CSCCCNC(=O)CC1CC1(F)F 11a_100000749238_100000138109 [0,1,0,1,0,0|2,0,0]=4 8674 B14R1.10521 CSCCCNC(=O)CC1CC1(F)F 1626a_100000749238_100000138109 [0,1,0,1,0,0|2,0,0]=4 8675 B14R1.10521 CSCCCNC(=O)CC1CC1(F)F 240690a_100000749238_100000138109 [0,1,0,1,0,0|2,0,0]=4 8676 B14R1.10521 CSCCCNC(=O)CC1CC1(F)F 527a_100000749238_100000138109 [0,1,0,1,0,0|2,0,0]=4 8677 B14R1.38 CCCCCCC(=O)C1CCCCC1 1458a_100000210647_100000210757 [0,1,0,1,0,0|2,0,0]=4 8678 B14R1.38 CCCCCCC(=O)C1CCCCC1 1458a_100102632555_100000210327 [0,1,0,1,0,0|2,0,0]=4 8679 B14R1.38 CCCCCCC(=O)C1CCCCO1 1458a_100000748299_100000210757 [0,1,0,1,0,0|2,0,0]=4 8680 B14R1.38 CCCCCCC(=O)C1CCCOC1 1458a_100000741522_100000210757 [0,1,0,1,0,0|1,1,0]=4 8681 B14R1.38 CCCCCCC(=O)C1CCCOC1 1458a_100102632555_100000693364 [0,1,0,1,0,0|1,1,0]=4 8682 B14R1.38 CCCCCCC(=O)C1CCOCC1 1458a_100000195482_100000210757 [0,1,0,1,0,0|2,0,0]=4 8683 B14R1.38 CCCCCCC(=O)C1CCOCC1 1458a_100102632555_100011324220 [0,1,0,1,0,0|2,0,0]=4 8684 B14R1.38 CCCCCCC(=O)C1CCSCC1 1458a_100000755232_100000210757 [0,1,0,1,0,0|2,0,0]=4 8685 B14R1.38 CCCCCCC(=O)N1CCCOC1 11a_100000131196_100102632555 [0,1,0,1,0,0|1,1,0]=4 8686 B14R1.38 CCCCCCC(=O)N1CCCOC1 240690a_100000131196_100102632555 [0,1,0,1,0,0|1,1,0]=4 8687 B14R1.38 CCCCCNC(=O)C1CCCCC1 11a_100000209983_100000210647 [0,1,0,1,0,0|2,0,0]=4 8688 B14R1.38 CCCCCNC(=O)C1CCCCC1 1626a_100000209983_100000210647 [0,1,0,1,0,0|2,0,0]=4 8689 B14R1.38 CCCCCNC(=O)C1CCCCC1 240690a_100000209983_100000210647 [0,1,0,1,0,0|2,0,0]=4 8690 B14R1.38 CCCCCNC(=O)C1CCCCC1 527a_100000209983_100000210647 [0,1,0,1,0,0|2,0,0]=4 8691 B14R1.38 CCCCCNC(=O)C1CCCCO1 11a_100000209983_100000748299 [0,1,0,1,0,0|2,0,0]=4 8692 B14R1.38 CCCCCNC(=O)C1CCCCO1 1626a_100000209983_100000748299 [0,1,0,1,0,0|2,0,0]=4 8693 B14R1.38 CCCCCNC(=O)C1CCCCO1 240690a_100000209983_100000748299 [0,1,0,1,0,0|2,0,0]=4 8694 B14R1.38 CCCCCNC(=O)C1CCCCO1 527a_100000209983_100000748299 [0,1,0,1,0,0|2,0,0]=4 8695 B14R1.38 CCCCCNC(=O)C1CCCOC1 11a_100000209983_100000741522 [0,1,0,1,0,0|1,1,0]=4 8696 B14R1.38 CCCCCNC(=O)C1CCCOC1 1626a_100000209983_100000741522 [0,1,0,1,0,0|1,1,0]=4 8697 B14R1.38 CCCCCNC(=O)C1CCCOC1 240690a_100000209983_100000741522 [0,1,0,1,0,0|1,1,0]=4 8698 B14R1.38 CCCCCNC(=O)C1CCCOC1 527a_100000209983_100000741522 [0,1,0,1,0,0|1,1,0]=4 8699 B14R1.38 CCCCCNC(=O)C1CCOCC1 11a_100000209983_100000195482 [0,1,0,1,0,0|2,0,0]=4 8700 B14R1.38 CCCCCNC(=O)C1CCOCC1 1626a_100000209983_100000195482 [0,1,0,1,0,0|2,0,0]=4 8701 B14R1.38 CCCCCNC(=O)C1CCOCC1 240690a_100000209983_100000195482 [0,1,0,1,0,0|2,0,0]=4 8702 B14R1.38 CCCCCNC(=O)C1CCOCC1 527a_100000209983_100000195482 [0,1,0,1,0,0|2,0,0]=4 8703 B14R1.38 CCCCCNC(=O)C1CCSCC1 11a_100000209983_100000755232 [0,1,0,1,0,0|2,0,0]=4 8704 B14R1.38 CCCCCNC(=O)C1CCSCC1 1626a_100000209983_100000755232 [0,1,0,1,0,0|2,0,0]=4 8705 B14R1.38 CCCCCNC(=O)C1CCSCC1 240690a_100000209983_100000755232 [0,1,0,1,0,0|2,0,0]=4 8706 B14R1.38 CCCCCNC(=O)C1CCSCC1 527a_100000209983_100000755232 [0,1,0,1,0,0|2,0,0]=4 8707 B14R1.38 CCCCCNC(=O)N1CCCOC1 2708a_100000209983_100000131196 [0,1,0,1,0,0|1,1,0]=4 8708 B14R1.38 CCCCCNC(=O)N1CCCOC1 273464a_100000209983_100000131196 [0,1,0,1,0,0|1,1,0]=4 8709 B14R1.38 CCCCNCC(=O)C1CCCCC1 2230a_100000102301_100000241979 [0,1,0,1,0,0|2,0,0]=4 8710 B14R1.38 CCCCNCC(=O)C1CCCCC1 7a_106832991798_100000241979 [0,1,0,1,0,0|2,0,0]=4 8711 B14R1.38 CCCCNCC(=O)N1CCCCC1 2230a_100000102301_100000183409 [0,1,0,1,0,0|2,0,0]=4 8712 B14R1.38 CCCCNCC(=O)N1CCCCC1 2230a_100000751303_100000210211 [0,1,0,1,0,0|2,0,0]=4 8713 B14R1.38 CCCCNCC(=O)N1CCCCC1 7a_106832991798_100000183409 [0,1,0,1,0,0|2,0,0]=4 8714 B14R1.38 CCCCOCC(=O)C1CCCCC1 1458a_100000210647_100011995733 [0,1,0,1,0,0|2,0,0]=4 8715 B14R1.38 CCCCOCC(=O)C1CCCCC1 1458a_100000757543_100000210327 [0,1,0,1,0,0|2,0,0]=4 8716 B14R1.38 CCCCOCC(=O)C1CCCCC1 34a_100000210227_100000241979 [0,1,0,1,0,0|2,0,0]=4 8717 B14R1.38 CCCCOCC(=O)C1CCCCC1 7a_100000210227_100000241979 [0,1,0,1,0,0|2,0,0]=4 8718 B14R1.38 CCCCOCC(=O)C1CCCOC1 1458a_100000741522_100011995733 [0,1,0,1,0,0|1,1,0]=4 8719 B14R1.38 CCCCOCC(=O)C1CCCOC1 1458a_100000757543_100000693364 [0,1,0,1,0,0|1,1,0]=4 8720 B14R1.38 CCCCOCC(=O)N1CCCCC1 34a_100000210227_100000183409 [0,1,0,1,0,0|2,0,0]=4 8721 B14R1.38 CCCCOCC(=O)N1CCCCC1 7a_100000210227_100000183409 [0,1,0,1,0,0|2,0,0]=4 8722 B14R1.38 CCCCOCC(=O)N1CCCCC1 7a_100011315646_100000210211 [0,1,0,1,0,0|2,0,0]=4 8723 B14R1.38 CCCCOCC(=O)N1CCCOC1 11a_100000131196_100000757543 [0,1,0,1,0,0|1,1,0]=4 8724 B14R1.38 CCCCOCC(=O)N1CCCOC1 240690a_100000131196_100000757543 [0,1,0,1,0,0|1,1,0]=4 8725 B14R1.38 CCCCSCC(=O)C1CCCCC1 1458a_100000191162_100000210327 [0,1,0,1,0,0|2,0,0]=4 8726 B14R1.38 CCCCSCC(=O)C1CCCCC1 62a_100000210211_100000241979 [0,1,0,1,0,0|2,0,0]=4 8727 B14R1.38 CCCCSCC(=O)C1CCCCC1 62a_100000241979_100000210210 [0,1,0,1,0,0|2,0,0]=4 8728 B14R1.38 CCCCSCC(=O)C1CCCOC1 1458a_100000191162_100000693364 [0,1,0,1,0,0|1,1,0]=4 8729 B14R1.38 CCCCSCC(=O)N1CCCCC1 62a_100000183409_100000210210 [0,1,0,1,0,0|2,0,0]=4 8730 B14R1.38 CCCCSCC(=O)N1CCCCC1 62a_100000210211_100000183409 [0,1,0,1,0,0|2,0,0]=4 8731 B14R1.38 CCCCSCC(=O)N1CCCOC1 11a_100000131196_100000191162 [0,1,0,1,0,0|1,1,0]=4 8732 B14R1.38 CCCCSCC(=O)N1CCCOC1 240690a_100000131196_100000191162 [0,1,0,1,0,0|1,1,0]=4 8733 B14R1.38 CCCOCCC(=O)C1CCCCC1 1458a_100000210647_100011215938 [0,1,0,1,0,0|2,0,0]=4 8734 B14R1.38 CCCOCCC(=O)C1CCCOC1 1458a_100000741522_100011215938 [0,1,0,1,0,0|1,1,0]=4 8735 B14R1.38 CCCOCCC(=O)N1CCCCC1 34a_100000210258_100102558178 [0,1,0,1,0,0|2,0,0]=4 8736 B14R1.38 CCCOCOC(=O)C1CCCCC1 34a_100000210258_100009893799 [0,1,0,1,0,0|2,0,0]=4 8737 B14R1.38 CCCSCCC(=O)N1CCCCC1 62a_100000210303_100102558178 [0,1,0,1,0,0|2,0,0]=4 8738 B14R1.38 CCCSCCC(=O)N1CCCCC1 62a_100102558178_100000210303 [0,1,0,1,0,0|2,0,0]=4 8739 B14R1.38 CCCSCOC(=O)C1CCCCC1 62a_100000210303_100009893799 [0,1,0,1,0,0|2,0,0]=4 8740 B14R1.38 CCCSCOC(=O)C1CCCCC1 62a_100009893799_100000210303 [0,1,0,1,0,0|2,0,0]=4 8741 B14R1.38 CCOCCCC(=O)C1CCCCC1 1458a_100000210647_100012232248 [0,1,0,1,0,0|2,0,0]=4 8742 B14R1.38 CCOCCCC(=O)C1CCCOC1 1458a_100000741522_100012232248 [0,1,0,1,0,0|1,1,0]=4 8743 B14R1.38 COCCCCC(=O)C1CCCCC1 1458a_100000210647_100000755781 [0,1,0,1,0,0|1,1,0]=4 8744 B14R1.38 COCCCCC(=O)C1CCCCO1 1458a_100000748299_100000755781 [0,1,0,1,0,0|1,1,0]=4 8745 B14R1.38 COCCCCC(=O)C1CCCOC1 1458a_100000741522_100000755781 [0,1,0,1,0,0|1,1,0]=4 8746 B14R1.38 COCCCCC(=O)C1CCOCC1 1458a_100000195482_100000755781 [0,1,0,1,0,0|1,1,0]=4 8747 B14R1.38 COCCCCC(=O)C1CCSCC1 1458a_100000755232_100000755781 [0,1,0,1,0,0|1,1,0]=4 8748 B14R1.38 COCCCNC(=O)C1CCCCC1 1626a_100150723488_100000210647 [0,1,0,1,0,0|1,1,0]=4 8749 B14R1.38 COCCCNC(=O)C1CCCCC1 240690a_100150723488_100000210647 [0,1,0,1,0,0|1,1,0]=4 8750 B14R1.38 COCCCNC(=O)C1CCCCC1 527a_100150723488_100000210647 [0,1,0,1,0,0|1,1,0]=4 8751 B14R1.38 COCCCNC(=O)C1CCCCO1 1626a_100150723488_100000748299 [0,1,0,1,0,0|1,1,0]=4 8752 B14R1.38 COCCCNC(=O)C1CCCCO1 240690a_100150723488_100000748299 [0,1,0,1,0,0|1,1,0]=4 8753 B14R1.38 COCCCNC(=O)C1CCCCO1 527a_100150723488_100000748299 [0,1,0,1,0,0|1,1,0]=4 8754 B14R1.38 COCCCNC(=O)C1CCCNC1 34a_200011275819_200000210301 [0,1,0,1,0,0|1,1,0]=4 8755 B14R1.38 COCCCNC(=O)C1CCCOC1 1626a_100150723488_100000741522 [0,1,0,1,0,0|1,1,0]=4 8756 B14R1.38 COCCCNC(=O)C1CCCOC1 240690a_100150723488_100000741522 [0,1,0,1,0,0|1,1,0]=4 8757 B14R1.38 COCCCNC(=O)C1CCCOC1 527a_100150723488_100000741522 [0,1,0,1,0,0|1,1,0]=4 8758 B14R1.38 COCCCNC(=O)C1CCOCC1 1626a_100150723488_100000195482 [0,1,0,1,0,0|1,1,0]=4 8759 B14R1.38 COCCCNC(=O)C1CCOCC1 240690a_100150723488_100000195482 [0,1,0,1,0,0|1,1,0]=4 8760 B14R1.38 COCCCNC(=O)C1CCOCC1 527a_100150723488_100000195482 [0,1,0,1,0,0|1,1,0]=4 8761 B14R1.38 COCCCNC(=O)C1CCSCC1 1626a_100150723488_100000755232 [0,1,0,1,0,0|1,1,0]=4 8762 B14R1.38 COCCCNC(=O)C1CCSCC1 240690a_100150723488_100000755232 [0,1,0,1,0,0|1,1,0]=4 8763 B14R1.38 COCCCNC(=O)C1CCSCC1 527a_100150723488_100000755232 [0,1,0,1,0,0|1,1,0]=4 8764 B14R1.38 COCSCOC(=O)C1CCCCC1 62a_100000766300_100009893799 [0,1,0,1,0,0|1,1,0]=4 8765 B14R1.38 COCSCOC(=O)C1CCCCC1 62a_100009893799_100000766300 [0,1,0,1,0,0|1,1,0]=4 8766 B14R1.38 CSCCCNC(=O)C1=CCCCC1 11a_100000749238_100000765259 [0,1,0,1,0,0|1,0,1]=4 8767 B14R1.38 CSCCCNC(=O)C1=CCCCC1 1626a_100000749238_100000765259 [0,1,0,1,0,0|1,0,1]=4 8768 B14R1.38 CSCCCNC(=O)C1=CCCCC1 240690a_100000749238_100000765259 [0,1,0,1,0,0|1,0,1]=4 8769 B14R1.38 CSCCCNC(=O)C1=CCCCC1 527a_100000749238_100000765259 [0,1,0,1,0,0|1,0,1]=4 8770 B14R1.38 CSCCCNC(=O)C1CCCCC1 11a_100000749238_100000210647 [0,1,0,1,0,0|1,0,0]=3 8771 B14R1.38 CSCCCNC(=O)C1CCCCC1 1626a_100000749238_100000210647 [0,1,0,1,0,0|1,0,0]=3 8772 B14R1.38 CSCCCNC(=O)C1CCCCC1 240690a_100000749238_100000210647 [0,1,0,1,0,0|1,0,0]=3 8773 B14R1.38 CSCCCNC(=O)C1CCCCC1 527a_100000749238_100000210647 [0,1,0,1,0,0|1,0,0]=3 8774 B14R1.38 CSCCCNC(=O)C1CCCCO1 11a_100000749238_100000748299 [0,1,0,1,0,0|1,0,0]=3 8775 B14R1.38 CSCCCNC(=O)C1CCCCO1 1626a_100000749238_100000748299 [0,1,0,1,0,0|1,0,0]=3 8776 B14R1.38 CSCCCNC(=O)C1CCCCO1 240690a_100000749238_100000748299 [0,1,0,1,0,0|1,0,0]=3 8777 B14R1.38 CSCCCNC(=O)C1CCCCO1 527a_100000749238_100000748299 [0,1,0,1,0,0|1,0,0]=3 8778 B14R1.38 CSCCCNC(=O)C1CCCOC1 11a_100000749238_100000741522 [0,1,0,1,0,0|1,0,0]=3 8779 B14R1.38 CSCCCNC(=O)C1CCCOC1 1626a_100000749238_100000741522 [0,1,0,1,0,0|1,0,0]=3 8780 B14R1.38 CSCCCNC(=O)C1CCCOC1 240690a_100000749238_100000741522 [0,1,0,1,0,0|1,0,0]=3 8781 B14R1.38 CSCCCNC(=O)C1CCCOC1 527a_100000749238_100000741522 [0,1,0,1,0,0|1,0,0]=3 8782 B14R1.38 CSCCCNC(=O)C1CCOCC1 11a_100000749238_100000195482 [0,1,0,1,0,0|1,0,0]=3 8783 B14R1.38 CSCCCNC(=O)C1CCOCC1 1626a_100000749238_100000195482 [0,1,0,1,0,0|1,0,0]=3 8784 B14R1.38 CSCCCNC(=O)C1CCOCC1 240690a_100000749238_100000195482 [0,1,0,1,0,0|1,0,0]=3 8785 B14R1.38 CSCCCNC(=O)C1CCOCC1 527a_100000749238_100000195482 [0,1,0,1,0,0|1,0,0]=3 8786 B14R1.38 CSCCCNC(=O)C1CCSCC1 11a_100000749238_100000755232 [0,1,0,1,0,0|1,0,0]=3 8787 B14R1.38 CSCCCNC(=O)C1CCSCC1 1626a_100000749238_100000755232 [0,1,0,1,0,0|1,0,0]=3 8788 B14R1.38 CSCCCNC(=O)C1CCSCC1 240690a_100000749238_100000755232 [0,1,0,1,0,0|1,0,0]=3 8789 B14R1.38 CSCCCNC(=O)C1CCSCC1 527a_100000749238_100000755232 [0,1,0,1,0,0|1,0,0]=3 8790 B14R1.38 CSCCCNC(=O)C1COCCO1 11a_100000749238_100000045528 [0,1,0,1,0,0|2,0,0]=4 8791 B14R1.38 CSCCCNC(=O)C1COCCO1 1626a_100000749238_100000045528 [0,1,0,1,0,0|2,0,0]=4 8792 B14R1.38 CSCCCNC(=O)C1COCCO1 240690a_100000749238_100000045528 [0,1,0,1,0,0|2,0,0]=4 8793 B14R1.38 CSCCCNC(=O)C1COCCO1 527a_100000749238_100000045528 [0,1,0,1,0,0|2,0,0]=4 8794 B14R1.38 CSCCCNC(=O)C1SCCCS1 11a_100000749238_100000028545 [0,1,0,1,0,0|2,0,0]=4 8795 B14R1.38 CSCCCNC(=O)C1SCCCS1 1626a_100000749238_100000028545 [0,1,0,1,0,0|2,0,0]=4 8796 B14R1.38 CSCCCNC(=O)C1SCCCS1 240690a_100000749238_100000028545 [0,1,0,1,0,0|2,0,0]=4 8797 B14R1.38 CSCCCNC(=O)C1SCCCS1 527a_100000749238_100000028545 [0,1,0,1,0,0|2,0,0]=4 8798 B14R1.38 CSCCCNC(=O)N1CCCOC1 2708a_100000749238_100000131196 [0,1,0,1,0,0|2,0,0]=4 8799 B14R1.38 CSCCCNC(=O)N1CCCOC1 273464a_100000749238_100000131196 [0,1,0,1,0,0|2,0,0]=4 8800 B14R1.38 CSCCCNC(=O)N1CCOCC1 2708a_100000749238_100015191051 [0,1,0,1,0,0|2,0,0]=4 8801 B14R1.38 CSCCCNC(=O)N1CCOCC1 273464a_100000749238_100015191051 [0,1,0,1,0,0|2,0,0]=4 8802 B14R1.38 CSCCCNC(=O)N1CCSCC1 2708a_100000749238_100000737611 [0,1,0,1,0,0|2,0,0]=4 8803 B14R1.38 CSCCCNC(=O)N1CCSCC1 273464a_100000749238_100000737611 [0,1,0,1,0,0|2,0,0]=4 8804 B14R1.38 CSCCCNC(=O)[C@H]1CC=CCC1 11a_100000749238_100009820709 [0,1,0,1,0,0|1,0,1]=4 8805 B14R1.38 CSCCCNC(=O)[C@H]1CC=CCC1 1626a_100000749238_100009820709 [0,1,0,1,0,0|1,0,1]=4 8806 B14R1.38 CSCCCNC(=O)[C@H]1CC=CCC1 240690a_100000749238_100009820709 [0,1,0,1,0,0|1,0,1]=4 8807 B14R1.38 CSCCCNC(=O)[C@H]1CC=CCC1 527a_100000749238_100009820709 [0,1,0,1,0,0|1,0,1]=4 8808 B14R1.38 CSCCNCC(=O)C1CCCCC1 2230a_100020590264_100000241979 [0,1,0,1,0,0|2,0,0]=4 8809 B14R1.38 CSCCNCC(=O)C1CCOCC1 2230a_100020590264_100000689883 [0,1,0,1,0,0|2,0,0]=4 8810 B14R1.38 CSCCNCC(=O)N1CCCCC1 2230a_100000751303_100000751147 [0,1,0,1,0,0|2,0,0]=4 8811 B14R1.38 CSCCNCC(=O)N1CCCCC1 2230a_100020590264_100000183409 [0,1,0,1,0,0|2,0,0]=4 8812 B14R1.38 CSCCOCC(=O)C1CCCCC1 34a_100000230434_100000241979 [0,1,0,1,0,0|2,0,0]=4 8813 B14R1.38 CSCCOCC(=O)C1CCCCC1 7a_100000230434_100000241979 [0,1,0,1,0,0|2,0,0]=4 8814 B14R1.38 CSCCOCC(=O)C1CCOCC1 34a_100000230434_100000689883 [0,1,0,1,0,0|2,0,0]=4 8815 B14R1.38 CSCCOCC(=O)C1CCOCC1 7a_100000230434_100000689883 [0,1,0,1,0,0|2,0,0]=4 8816 B14R1.38 CSCCOCC(=O)N1CCCCC1 34a_100000230434_100000183409 [0,1,0,1,0,0|2,0,0]=4 8817 B14R1.38 CSCCOCC(=O)N1CCCCC1 7a_100000230434_100000183409 [0,1,0,1,0,0|2,0,0]=4 8818 B14R1.38 CSCCOCC(=O)N1CCCCC1 7a_100011315646_100000212216 [0,1,0,1,0,0|2,0,0]=4 8819 B14R1.38 CSCCSCC(=O)C1CCCCC1 62a_100000212216_100000241979 [0,1,0,1,0,0|2,0,0]=4 8820 B14R1.38 CSCCSCC(=O)C1CCCCC1 62a_100000241979_100000751147 [0,1,0,1,0,0|2,0,0]=4 8821 B14R1.38 CSCCSCC(=O)C1CCOCC1 62a_100000212216_100000689883 [0,1,0,1,0,0|2,0,0]=4 8822 B14R1.38 CSCCSCC(=O)C1CCOCC1 62a_100000689883_100000751147 [0,1,0,1,0,0|2,0,0]=4 8823 B14R1.38 CSCCSCC(=O)N1CCCCC1 62a_100000183409_100000751147 [0,1,0,1,0,0|2,0,0]=4 8824 B14R1.38 CSCCSCC(=O)N1CCCCC1 62a_100000212216_100000183409 [0,1,0,1,0,0|2,0,0]=4 8825 B14R1.38 CSCSCCC(=O)N1CCCCC1 62a_100011218213_100102558178 [0,1,0,1,0,0|2,0,0]=4 8826 B14R1.38 CSCSCCC(=O)N1CCCCC1 62a_100102558178_100011218213 [0,1,0,1,0,0|2,0,0]=4 8827 B14R1.38 CSCSCOC(=O)C1CCCCC1 62a_100009893799_100011218213 [0,1,0,1,0,0|1,0,0]=3 8828 B14R1.38 CSCSCOC(=O)C1CCCCC1 62a_100011218213_100009893799 [0,1,0,1,0,0|1,0,0]=3 8829 B14R1.38 CSCSCOC(=O)N1CCOCC1 62a_100009898760_100011218213 [0,1,0,1,0,0|2,0,0]=4 8830 B14R1.38 CSCSCOC(=O)N1CCOCC1 62a_100011218213_100009898760 [0,1,0,1,0,0|2,0,0]=4 8831 B14R1.38 O=C(CCCCCF)C1CCCCC1 1458a_100000210647_100000729378 [0,1,0,1,0,0|2,0,0]=4 8832 B14R1.38 O=C(CCCCCF)C1CCCOC1 1458a_100000741522_100000729378 [0,1,0,1,0,0|1,1,0]=4 8833 B14R1.38 O=C(CCCCCO)C1CCCCC1 1458a_100000210647_100000746330 [0,1,0,1,0,0|2,0,0]=4 8834 B14R1.38 O=C(CCCCCO)C1CCCCC1 1458a_100102619762_100000210327 [0,1,0,1,0,0|2,0,0]=4 8835 B14R1.38 O=C(CCCCCO)C1CCCOC1 1458a_100000741522_100000746330 [0,1,0,1,0,0|1,1,0]=4 8836 B14R1.38 O=C(CCCCCO)C1CCCOC1 1458a_100102619762_100000693364 [0,1,0,1,0,0|1,1,0]=4 8837 B14R1.38 O=C(CCCCCO)N1CCCOC1 240690a_100000131196_100102619762 [0,1,0,1,0,0|1,1,0]=4 8838 B14R1.38 [13CH3]OCCCNC(=O)C1CCCNC1 34a_200011275819_200025704644 [0,1,0,1,0,0|1,1,0]=4 8839 B14R1.92 CCCCCCC(=O)CC1CCCC1 1458a_100000210891_100000210757 [0,1,0,1,0,0|2,0,0]=4 8840 B14R1.92 CCCCCCC(=O)CC1CCCC1 1458a_100102632555_100000740388 [0,1,0,1,0,0|2,0,0]=4 8841 B14R1.92 CCCCCCC(=O)CC1CCCO1 1458a_100102632555_100000203698 [0,1,0,1,0,0|2,0,0]=4 8842 B14R1.92 CCCCCCC(=O)CC1CCOC1 1458a_100011218419_100000210757 [0,1,0,1,0,0|1,1,0]=4 8843 B14R1.92 CCCCCCC(=O)CC1CCOC1 1458a_100102632555_100000702531 [0,1,0,1,0,0|1,1,0]=4 8844 B14R1.92 CCCCCCC(=O)CN1CCCC1 1458a_100000740243_100000210757 [0,1,0,1,0,0|2,0,0]=4 8845 B14R1.92 CCCCCCC(=O)NC1CCCC1 11a_100000211070_100102632555 [0,1,0,1,0,0|2,0,0]=4 8846 B14R1.92 CCCCCCC(=O)NC1CCCC1 1626a_100000211070_100102632555 [0,1,0,1,0,0|2,0,0]=4 8847 B14R1.92 CCCCCCC(=O)NC1CCCC1 240690a_100000211070_100102632555 [0,1,0,1,0,0|2,0,0]=4 8848 B14R1.92 CCCCCCC(=O)NC1CCCC1 527a_100000211070_100102632555 [0,1,0,1,0,0|2,0,0]=4 8849 B14R1.92 CCCCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100102632555 [0,1,0,1,0,0|1,1,0]=4 8850 B14R1.92 CCCCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100102632555 [0,1,0,1,0,0|1,1,0]=4 8851 B14R1.92 CCCCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100102632555 [0,1,0,1,0,0|1,1,0]=4 8852 B14R1.92 CCCCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100102632555 [0,1,0,1,0,0|1,1,0]=4 8853 B14R1.92 CCCCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100102632555 [0,1,0,1,0,0|1,1,0]=4 8854 B14R1.92 CCCCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100102632555 [0,1,0,1,0,0|1,1,0]=4 8855 B14R1.92 CCCCCCC(C)OC1CCSC1 7a_100011232664_100011215978 [0,1,0,1,0,0|1,0,1]=4 8856 B14R1.92 CCCCCNC(=O)CC1CCCC1 11a_100000209983_100000210891 [0,1,0,1,0,0|2,0,0]=4 8857 B14R1.92 CCCCCNC(=O)CC1CCCC1 1626a_100000209983_100000210891 [0,1,0,1,0,0|2,0,0]=4 8858 B14R1.92 CCCCCNC(=O)CC1CCCC1 240690a_100000209983_100000210891 [0,1,0,1,0,0|2,0,0]=4 8859 B14R1.92 CCCCCNC(=O)CC1CCCC1 527a_100000209983_100000210891 [0,1,0,1,0,0|2,0,0]=4 8860 B14R1.92 CCCCCNC(=O)CC1CCOC1 11a_100000209983_100011218419 [0,1,0,1,0,0|1,1,0]=4 8861 B14R1.92 CCCCCNC(=O)CC1CCOC1 1626a_100000209983_100011218419 [0,1,0,1,0,0|1,1,0]=4 8862 B14R1.92 CCCCCNC(=O)CC1CCOC1 240690a_100000209983_100011218419 [0,1,0,1,0,0|1,1,0]=4 8863 B14R1.92 CCCCCNC(=O)CC1CCOC1 527a_100000209983_100011218419 [0,1,0,1,0,0|1,1,0]=4 8864 B14R1.92 CCCCCNC(=O)CN1CCCC1 2230a_100000188435_100000230301 [0,1,0,1,0,0|2,0,0]=4 8865 B14R1.92 CCCCCNC(=O)CN1CCCC1 240690a_100000209983_100000740243 [0,1,0,1,0,0|2,0,0]=4 8866 B14R1.92 CCCCCNC(=O)CN1CCCC1 269982a_100000188435_100000230301 [0,1,0,1,0,0|2,0,0]=4 8867 B14R1.92 CCCCCNC(=O)CN1CCCC1 527a_100000209983_100000740243 [0,1,0,1,0,0|2,0,0]=4 8868 B14R1.92 CCCCCNC(=O)CN1CCSC1 2230a_100011215254_100000230301 [0,1,0,1,0,0|2,0,0]=4 8869 B14R1.92 CCCCCNC(=O)CN1CCSC1 269982a_100011215254_100000230301 [0,1,0,1,0,0|2,0,0]=4 8870 B14R1.92 CCCCCNC(=O)NC1CCCC1 2708a_100000209983_100000211070 [0,1,0,1,0,0|2,0,0]=4 8871 B14R1.92 CCCCCNC(=O)NC1CCCC1 2708a_100000211070_100000209983 [0,1,0,1,0,0|2,0,0]=4 8872 B14R1.92 CCCCCNC(=O)NC1CCCC1 273464a_100000209983_100000211070 [0,1,0,1,0,0|2,0,0]=4 8873 B14R1.92 CCCCCNC(=O)NC1CCCC1 273464a_100000211070_100000209983 [0,1,0,1,0,0|2,0,0]=4 8874 B14R1.92 CCCCCNC(=O)NC1CCCC1 512a_100000209983_100000211070 [0,1,0,1,0,0|2,0,0]=4 8875 B14R1.92 CCCCCNC(=O)NC1CCCC1 512a_100000211070_100000209983 [0,1,0,1,0,0|2,0,0]=4 8876 B14R1.92 CCCCCNC(=O)N[C@@H]1CCOC1 2708a_100000209983_200015188469 [0,1,0,1,0,0|1,1,0]=4 8877 B14R1.92 CCCCCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100000209983 [0,1,0,1,0,0|1,1,0]=4 8878 B14R1.92 CCCCCNC(=O)N[C@@H]1CCOC1 273464a_100000209983_200015188469 [0,1,0,1,0,0|1,1,0]=4 8879 B14R1.92 CCCCCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100000209983 [0,1,0,1,0,0|1,1,0]=4 8880 B14R1.92 CCCCCNC(=O)N[C@@H]1CCOC1 512a_100000209983_200015188469 [0,1,0,1,0,0|1,1,0]=4 8881 B14R1.92 CCCCCNC(=O)N[C@H]1CCOC1 2708a_100000209983_100015188467 [0,1,0,1,0,0|1,1,0]=4 8882 B14R1.92 CCCCCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100000209983 [0,1,0,1,0,0|1,1,0]=4 8883 B14R1.92 CCCCCNC(=O)N[C@H]1CCOC1 273464a_100000209983_100015188467 [0,1,0,1,0,0|1,1,0]=4 8884 B14R1.92 CCCCCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100000209983 [0,1,0,1,0,0|1,1,0]=4 8885 B14R1.92 CCCCCNC(=O)N[C@H]1CCOC1 512a_100000209983_100015188467 [0,1,0,1,0,0|1,1,0]=4 8886 B14R1.92 CCCCCNC(=O)N[C@H]1CCOC1 512a_100015188467_100000209983 [0,1,0,1,0,0|1,1,0]=4 8887 B14R1.92 CCCCNCC(=O)NC1CCCC1 2230a_100000102301_100000183512 [0,1,0,1,0,0|2,0,0]=4 8888 B14R1.92 CCCCNCC(=O)NC1CCCC1 2230a_100000747513_100000210211 [0,1,0,1,0,0|2,0,0]=4 8889 B14R1.92 CCCCNCC(=O)NC1CCCC1 7a_106832991798_100000183512 [0,1,0,1,0,0|2,0,0]=4 8890 B14R1.92 CCCCOCC(=O)CC1CCCC1 1458a_100000210891_100011995733 [0,1,0,1,0,0|2,0,0]=4 8891 B14R1.92 CCCCOCC(=O)CC1CCCC1 1458a_100000757543_100000740388 [0,1,0,1,0,0|2,0,0]=4 8892 B14R1.92 CCCCOCC(=O)CC1CCOC1 1458a_100000757543_100000702531 [0,1,0,1,0,0|1,1,0]=4 8893 B14R1.92 CCCCOCC(=O)CC1CCOC1 1458a_100011218419_100011995733 [0,1,0,1,0,0|1,1,0]=4 8894 B14R1.92 CCCCOCC(=O)NC1CCCC1 11a_100000211070_100000757543 [0,1,0,1,0,0|2,0,0]=4 8895 B14R1.92 CCCCOCC(=O)NC1CCCC1 1626a_100000211070_100000757543 [0,1,0,1,0,0|2,0,0]=4 8896 B14R1.92 CCCCOCC(=O)NC1CCCC1 240690a_100000211070_100000757543 [0,1,0,1,0,0|2,0,0]=4 8897 B14R1.92 CCCCOCC(=O)NC1CCCC1 34a_100000210227_100000183512 [0,1,0,1,0,0|2,0,0]=4 8898 B14R1.92 CCCCOCC(=O)NC1CCCC1 527a_100000211070_100000757543 [0,1,0,1,0,0|2,0,0]=4 8899 B14R1.92 CCCCOCC(=O)NC1CCCC1 7a_100000210227_100000183512 [0,1,0,1,0,0|2,0,0]=4 8900 B14R1.92 CCCCOCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000757543 [0,1,0,1,0,0|1,1,0]=4 8901 B14R1.92 CCCCOCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000757543 [0,1,0,1,0,0|1,1,0]=4 8902 B14R1.92 CCCCOCC(=O)N[C@H]1CCOC1 11a_100015188467_100000757543 [0,1,0,1,0,0|1,1,0]=4 8903 B14R1.92 CCCCOCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000757543 [0,1,0,1,0,0|1,1,0]=4 8904 B14R1.92 CCCCOCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000757543 [0,1,0,1,0,0|1,1,0]=4 8905 B14R1.92 CCCCOCC(=O)N[C@H]1CCOC1 527a_100015188467_100000757543 [0,1,0,1,0,0|1,1,0]=4 8906 B14R1.92 CCCCSCC(=O)CC1CCCC1 1458a_100000191162_100000740388 [0,1,0,1,0,0|2,0,0]=4 8907 B14R1.92 CCCCSCC(=O)CC1CCOC1 1458a_100000191162_100000702531 [0,1,0,1,0,0|1,1,0]=4 8908 B14R1.92 CCCCSCC(=O)NC1CCCC1 11a_100000211070_100000191162 [0,1,0,1,0,0|2,0,0]=4 8909 B14R1.92 CCCCSCC(=O)NC1CCCC1 1626a_100000211070_100000191162 [0,1,0,1,0,0|2,0,0]=4 8910 B14R1.92 CCCCSCC(=O)NC1CCCC1 240690a_100000211070_100000191162 [0,1,0,1,0,0|2,0,0]=4 8911 B14R1.92 CCCCSCC(=O)NC1CCCC1 527a_100000211070_100000191162 [0,1,0,1,0,0|2,0,0]=4 8912 B14R1.92 CCCCSCC(=O)NC1CCCC1 62a_100000183512_100000210210 [0,1,0,1,0,0|2,0,0]=4 8913 B14R1.92 CCCCSCC(=O)NC1CCCC1 62a_100000210211_100000183512 [0,1,0,1,0,0|2,0,0]=4 8914 B14R1.92 CCCCSCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000191162 [0,1,0,1,0,0|1,1,0]=4 8915 B14R1.92 CCCCSCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000191162 [0,1,0,1,0,0|1,1,0]=4 8916 B14R1.92 CCCCSCC(=O)N[C@H]1CCOC1 11a_100015188467_100000191162 [0,1,0,1,0,0|1,1,0]=4 8917 B14R1.92 CCCCSCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000191162 [0,1,0,1,0,0|1,1,0]=4 8918 B14R1.92 CCCCSCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000191162 [0,1,0,1,0,0|1,1,0]=4 8919 B14R1.92 CCCCSCC(=O)N[C@H]1CCOC1 527a_100015188467_100000191162 [0,1,0,1,0,0|1,1,0]=4 8920 B14R1.92 CCCOCCC(=O)CC1CCCC1 1458a_100000210891_100011215938 [0,1,0,1,0,0|2,0,0]=4 8921 B14R1.92 CCCOCCC(=O)CC1CCOC1 1458a_100011218419_100011215938 [0,1,0,1,0,0|1,1,0]=4 8922 B14R1.92 CCCSCCC(=O)NC1CCCC1 62a_100000210303_100000743710 [0,1,0,1,0,0|2,0,0]=4 8923 B14R1.92 CCCSCCC(=O)NC1CCCC1 62a_100000743710_100000210303 [0,1,0,1,0,0|2,0,0]=4 8924 B14R1.92 CCOCCCC(=O)CC1CCCC1 1458a_100000210891_100012232248 [0,1,0,1,0,0|2,0,0]=4 8925 B14R1.92 CCOCCCC(=O)CC1CCOC1 1458a_100011218419_100012232248 [0,1,0,1,0,0|1,1,0]=4 8926 B14R1.92 CCOCCOC(=O)CN1CCCC1 2230a_100000188435_200000101388 [0,1,0,1,0,0|2,0,0]=4 8927 B14R1.92 CCOCCOC(=O)CN1CCCC1 269982a_100000188435_200000101388 [0,1,0,1,0,0|2,0,0]=4 8928 B14R1.92 COCCCCC(=O)CC1CCCC1 1458a_100000210891_100000755781 [0,1,0,1,0,0|1,1,0]=4 8929 B14R1.92 COCCCCC(=O)CC1CCOC1 1458a_100011218419_100000755781 [0,1,0,1,0,0|1,1,0]=4 8930 B14R1.92 COCCCCC(=O)CN1CCCC1 1458a_100000740243_100000755781 [0,1,0,1,0,0|1,1,0]=4 8931 B14R1.92 COCCCNC(=O)CC1CCCC1 1626a_100150723488_100000210891 [0,1,0,1,0,0|1,1,0]=4 8932 B14R1.92 COCCCNC(=O)CC1CCCC1 240690a_100150723488_100000210891 [0,1,0,1,0,0|1,1,0]=4 8933 B14R1.92 COCCCNC(=O)CC1CCCC1 527a_100150723488_100000210891 [0,1,0,1,0,0|1,1,0]=4 8934 B14R1.92 COCCCNC(=O)CC1CCOC1 1626a_100150723488_100011218419 [0,1,0,1,0,0|1,1,0]=4 8935 B14R1.92 COCCCNC(=O)CC1CCOC1 240690a_100150723488_100011218419 [0,1,0,1,0,0|1,1,0]=4 8936 B14R1.92 COCCCNC(=O)CC1CCOC1 527a_100150723488_100011218419 [0,1,0,1,0,0|1,1,0]=4 8937 B14R1.92 COCCCNC(=O)CN1CCCC1 2230a_100000188435_100000183178 [0,1,0,1,0,0|1,1,0]=4 8938 B14R1.92 COCCCNC(=O)CN1CCCC1 240690a_100150723488_100000740243 [0,1,0,1,0,0|1,1,0]=4 8939 B14R1.92 COCCCNC(=O)CN1CCCC1 269982a_100000188435_100000183178 [0,1,0,1,0,0|1,1,0]=4 8940 B14R1.92 COCCCNC(=O)CN1CCCC1 527a_100150723488_100000740243 [0,1,0,1,0,0|1,1,0]=4 8941 B14R1.92 COCCCNC(=O)NC1CCCC1 2708a_100000211070_100150723488 [0,1,0,1,0,0|1,1,0]=4 8942 B14R1.92 COCCCNC(=O)NC1CCCC1 2708a_100150723488_100000211070 [0,1,0,1,0,0|1,1,0]=4 8943 B14R1.92 COCCCNC(=O)NC1CCCC1 273464a_100000211070_100150723488 [0,1,0,1,0,0|1,1,0]=4 8944 B14R1.92 COCCCNC(=O)NC1CCCC1 273464a_100150723488_100000211070 [0,1,0,1,0,0|1,1,0]=4 8945 B14R1.92 COCCCNC(=O)NC1CCCC1 512a_100000211070_100150723488 [0,1,0,1,0,0|1,1,0]=4 8946 B14R1.92 CSCCCNC(=O)C=C1CCCC1 11a_100000749238_100000743260 [0,1,0,1,0,0|1,0,1]=4 8947 B14R1.92 CSCCCNC(=O)C=C1CCCC1 1626a_100000749238_100000743260 [0,1,0,1,0,0|1,0,1]=4 8948 B14R1.92 CSCCCNC(=O)C=C1CCCC1 240690a_100000749238_100000743260 [0,1,0,1,0,0|1,0,1]=4 8949 B14R1.92 CSCCCNC(=O)C=C1CCCC1 527a_100000749238_100000743260 [0,1,0,1,0,0|1,0,1]=4 8950 B14R1.92 CSCCCNC(=O)CC1=CCCC1 11a_100000749238_100000050221 [0,1,0,1,0,0|1,0,1]=4 8951 B14R1.92 CSCCCNC(=O)CC1=CCCC1 1626a_100000749238_100000050221 [0,1,0,1,0,0|1,0,1]=4 8952 B14R1.92 CSCCCNC(=O)CC1=CCCC1 240690a_100000749238_100000050221 [0,1,0,1,0,0|1,0,1]=4 8953 B14R1.92 CSCCCNC(=O)CC1=CCCC1 527a_100000749238_100000050221 [0,1,0,1,0,0|1,0,1]=4 8954 B14R1.92 CSCCCNC(=O)CC1C=CCC1 11a_100000749238_100000212241 [0,1,0,1,0,0|1,0,1]=4 8955 B14R1.92 CSCCCNC(=O)CC1C=CCC1 1626a_100000749238_100000212241 [0,1,0,1,0,0|1,0,1]=4 8956 B14R1.92 CSCCCNC(=O)CC1C=CCC1 240690a_100000749238_100000212241 [0,1,0,1,0,0|1,0,1]=4 8957 B14R1.92 CSCCCNC(=O)CC1C=CCC1 527a_100000749238_100000212241 [0,1,0,1,0,0|1,0,1]=4 8958 B14R1.92 CSCCCNC(=O)CC1CC=CC1 11a_100000749238_200000137526 [0,1,0,1,0,0|1,0,1]=4 8959 B14R1.92 CSCCCNC(=O)CC1CC=CC1 1626a_100000749238_200000137526 [0,1,0,1,0,0|1,0,1]=4 8960 B14R1.92 CSCCCNC(=O)CC1CC=CC1 240690a_100000749238_200000137526 [0,1,0,1,0,0|1,0,1]=4 8961 B14R1.92 CSCCCNC(=O)CC1CC=CC1 527a_100000749238_200000137526 [0,1,0,1,0,0|1,0,1]=4 8962 B14R1.92 CSCCCNC(=O)CC1CCCC1 11a_100000749238_100000210891 [0,1,0,1,0,0|1,0,0]=3 8963 B14R1.92 CSCCCNC(=O)CC1CCCC1 1626a_100000749238_100000210891 [0,1,0,1,0,0|1,0,0]=3 8964 B14R1.92 CSCCCNC(=O)CC1CCCC1 240690a_100000749238_100000210891 [0,1,0,1,0,0|1,0,0]=3 8965 B14R1.92 CSCCCNC(=O)CC1CCCC1 527a_100000749238_100000210891 [0,1,0,1,0,0|1,0,0]=3 8966 B14R1.92 CSCCCNC(=O)CC1CCOC1 11a_100000749238_100011218419 [0,1,0,1,0,0|1,0,0]=3 8967 B14R1.92 CSCCCNC(=O)CC1CCOC1 1626a_100000749238_100011218419 [0,1,0,1,0,0|1,0,0]=3 8968 B14R1.92 CSCCCNC(=O)CC1CCOC1 240690a_100000749238_100011218419 [0,1,0,1,0,0|1,0,0]=3 8969 B14R1.92 CSCCCNC(=O)CC1CCOC1 527a_100000749238_100011218419 [0,1,0,1,0,0|1,0,0]=3 8970 B14R1.92 CSCCCNC(=O)CN1CCCC1 240690a_100000749238_100000740243 [0,1,0,1,0,0|1,0,0]=3 8971 B14R1.92 CSCCCNC(=O)CN1CCCC1 527a_100000749238_100000740243 [0,1,0,1,0,0|1,0,0]=3 8972 B14R1.92 CSCCCNC(=O)NC1CCCC1 2708a_100000211070_100000749238 [0,1,0,1,0,0|1,0,0]=3 8973 B14R1.92 CSCCCNC(=O)NC1CCCC1 2708a_100000749238_100000211070 [0,1,0,1,0,0|1,0,0]=3 8974 B14R1.92 CSCCCNC(=O)NC1CCCC1 273464a_100000211070_100000749238 [0,1,0,1,0,0|1,0,0]=3 8975 B14R1.92 CSCCCNC(=O)NC1CCCC1 273464a_100000749238_100000211070 [0,1,0,1,0,0|1,0,0]=3 8976 B14R1.92 CSCCCNC(=O)NC1CCCC1 512a_100000211070_100000749238 [0,1,0,1,0,0|1,0,0]=3 8977 B14R1.92 CSCCCNC(=O)NC1CCCC1 512a_100000749238_100000211070 [0,1,0,1,0,0|1,0,0]=3 8978 B14R1.92 CSCCCNC(=O)N[C@@H]1CCOC1 2708a_100000749238_200015188469 [0,1,0,1,0,0|2,0,0]=4 8979 B14R1.92 CSCCCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100000749238 [0,1,0,1,0,0|2,0,0]=4 8980 B14R1.92 CSCCCNC(=O)N[C@@H]1CCOC1 273464a_100000749238_200015188469 [0,1,0,1,0,0|2,0,0]=4 8981 B14R1.92 CSCCCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100000749238 [0,1,0,1,0,0|2,0,0]=4 8982 B14R1.92 CSCCCNC(=O)N[C@@H]1CCOC1 512a_100000749238_200015188469 [0,1,0,1,0,0|2,0,0]=4 8983 B14R1.92 CSCCCNC(=O)N[C@H]1CCOC1 2708a_100000749238_100015188467 [0,1,0,1,0,0|2,0,0]=4 8984 B14R1.92 CSCCCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100000749238 [0,1,0,1,0,0|2,0,0]=4 8985 B14R1.92 CSCCCNC(=O)N[C@H]1CCOC1 273464a_100000749238_100015188467 [0,1,0,1,0,0|2,0,0]=4 8986 B14R1.92 CSCCCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100000749238 [0,1,0,1,0,0|2,0,0]=4 8987 B14R1.92 CSCCCNC(=O)N[C@H]1CCOC1 512a_100000749238_100015188467 [0,1,0,1,0,0|2,0,0]=4 8988 B14R1.92 CSCCCNC(=O)N[C@H]1CCOC1 512a_100015188467_100000749238 [0,1,0,1,0,0|2,0,0]=4 8989 B14R1.92 CSCCNCC(=O)NC1CCCC1 2230a_100000747513_100000751147 [0,1,0,1,0,0|2,0,0]=4 8990 B14R1.92 CSCCNCC(=O)NC1CCCC1 2230a_100020590264_100000183512 [0,1,0,1,0,0|2,0,0]=4 8991 B14R1.92 CSCCOCC(=O)NC1CCCC1 34a_100000230434_100000183512 [0,1,0,1,0,0|2,0,0]=4 8992 B14R1.92 CSCCOCC(=O)NC1CCCC1 7a_100000230434_100000183512 [0,1,0,1,0,0|2,0,0]=4 8993 B14R1.92 CSCCSCC(=O)NC1CCCC1 62a_100000183512_100000751147 [0,1,0,1,0,0|2,0,0]=4 8994 B14R1.92 CSCCSCC(=O)NC1CCCC1 62a_100000212216_100000183512 [0,1,0,1,0,0|2,0,0]=4 8995 B14R1.92 CSCSCCC(=O)NC1CCCC1 62a_100000743710_100011218213 [0,1,0,1,0,0|2,0,0]=4 8996 B14R1.92 CSCSCCC(=O)NC1CCCC1 62a_100011218213_100000743710 [0,1,0,1,0,0|2,0,0]=4 8997 B14R1.92 O=C(CCCCCF)CC1CCCC1 1458a_100000210891_100000729378 [0,1,0,1,0,0|2,0,0]=4 8998 B14R1.92 O=C(CCCCCF)CC1CCOC1 1458a_100011218419_100000729378 [0,1,0,1,0,0|1,1,0]=4 8999 B14R1.92 O=C(CCCCCO)CC1CCCC1 1458a_100000210891_100000746330 [0,1,0,1,0,0|2,0,0]=4 9000 B14R1.92 O=C(CCCCCO)CC1CCCC1 1458a_100102619762_100000740388 [0,1,0,1,0,0|2,0,0]=4 9001 B14R1.92 O=C(CCCCCO)CC1CCOC1 1458a_100011218419_100000746330 [0,1,0,1,0,0|1,1,0]=4 9002 B14R1.92 O=C(CCCCCO)CC1CCOC1 1458a_100102619762_100000702531 [0,1,0,1,0,0|1,1,0]=4 9003 B14R1.92 O=C(CCCCCO)NC1CCCC1 240690a_100000211070_100102619762 [0,1,0,1,0,0|2,0,0]=4 9004 B14R1.92 O=C(CCCCCO)N[C@@H]1CCOC1 240690a_200015188469_100102619762 [0,1,0,1,0,0|1,1,0]=4 9005 B14R1.92 O=C(CCCCCO)N[C@H]1CCOC1 240690a_100015188467_100102619762 [0,1,0,1,0,0|1,1,0]=4 9006 B14R1.3360 CC1CCCC1C(=O)CCCCCF 1458a_100000690547_100000729378 [0,1,0,1,0,0|2,0,0]=4 9007 B14R1.3360 CC1CCCC1C(=O)CCCCCO 1458a_100000690547_100000746330 [0,1,0,1,0,0|2,0,0]=4 9008 B14R1.3360 CCCCCCC(=O)C1CCCC1C 1458a_100000690547_100000210757 [0,1,0,1,0,0|2,0,0]=4 9009 B14R1.3360 CCCCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100102632555 [0,1,0,1,0,0|2,0,0]=4 9010 B14R1.3360 CCCCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100102632555 [0,1,0,1,0,0|2,0,0]=4 9011 B14R1.3360 CCCCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100102632555 [0,1,0,1,0,0|2,0,0]=4 9012 B14R1.3360 CCCCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100102632555 [0,1,0,1,0,0|2,0,0]=4 9013 B14R1.3360 CCCCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100102632555 [0,1,0,1,0,0|2,0,0]=4 9014 B14R1.3360 CCCCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210757 [0,1,0,1,0,0|2,0,0]=4 9015 B14R1.3360 CCCCCNC(=O)C1CCCC1C 11a_100000209983_100000690547 [0,1,0,1,0,0|2,0,0]=4 9016 B14R1.3360 CCCCCNC(=O)C1CCCC1C 1626a_100000209983_100000690547 [0,1,0,1,0,0|2,0,0]=4 9017 B14R1.3360 CCCCCNC(=O)C1CCCC1C 240690a_100000209983_100000690547 [0,1,0,1,0,0|2,0,0]=4 9018 B14R1.3360 CCCCCNC(=O)C1CCCC1C 527a_100000209983_100000690547 [0,1,0,1,0,0|2,0,0]=4 9019 B14R1.3360 CCCCCNC(=O)N1CCC[C@@H]1C 2708a_100000209983_100020605311 [0,1,0,1,0,0|2,0,0]=4 9020 B14R1.3360 CCCCCNC(=O)N1CCC[C@@H]1C 273464a_100000209983_100020605311 [0,1,0,1,0,0|2,0,0]=4 9021 B14R1.3360 CCCCCNC(=O)N1CCC[C@H]1C 2708a_100000209983_100015189458 [0,1,0,1,0,0|2,0,0]=4 9022 B14R1.3360 CCCCCNC(=O)N1CCC[C@H]1C 273464a_100000209983_100015189458 [0,1,0,1,0,0|2,0,0]=4 9023 B14R1.3360 CCCCCNC(=O)[C@@H]1CCCN1C 11a_100000209983_100009816429 [0,1,0,1,0,0|2,0,0]=4 9024 B14R1.3360 CCCCCNC(=O)[C@@H]1CCCN1C 240690a_100000209983_100009816429 [0,1,0,1,0,0|2,0,0]=4 9025 B14R1.3360 CCCCCNC(=O)[C@@H]1CCCN1C 527a_100000209983_100009816429 [0,1,0,1,0,0|2,0,0]=4 9026 B14R1.3360 CCCCOCC(=O)C1CCCC1C 1458a_100000690547_100011995733 [0,1,0,1,0,0|2,0,0]=4 9027 B14R1.3360 CCCCOCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000757543 [0,1,0,1,0,0|2,0,0]=4 9028 B14R1.3360 CCCCOCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000757543 [0,1,0,1,0,0|2,0,0]=4 9029 B14R1.3360 CCCCOCC(=O)N1CCC[C@H]1C 11a_100015189458_100000757543 [0,1,0,1,0,0|2,0,0]=4 9030 B14R1.3360 CCCCOCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000757543 [0,1,0,1,0,0|2,0,0]=4 9031 B14R1.3360 CCCCOCC(=O)N1CCC[C@H]1C 527a_100015189458_100000757543 [0,1,0,1,0,0|2,0,0]=4 9032 B14R1.3360 CCCCOCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011995733 [0,1,0,1,0,0|2,0,0]=4 9033 B14R1.3360 CCCCSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000191162 [0,1,0,1,0,0|2,0,0]=4 9034 B14R1.3360 CCCCSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000191162 [0,1,0,1,0,0|2,0,0]=4 9035 B14R1.3360 CCCCSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000191162 [0,1,0,1,0,0|2,0,0]=4 9036 B14R1.3360 CCCCSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000191162 [0,1,0,1,0,0|2,0,0]=4 9037 B14R1.3360 CCCCSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000191162 [0,1,0,1,0,0|2,0,0]=4 9038 B14R1.3360 CCCOCCC(=O)C1CCCC1C 1458a_100000690547_100011215938 [0,1,0,1,0,0|2,0,0]=4 9039 B14R1.3360 CCCOCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011215938 [0,1,0,1,0,0|2,0,0]=4 9040 B14R1.3360 CCOCCCC(=O)C1CCCC1C 1458a_100000690547_100012232248 [0,1,0,1,0,0|2,0,0]=4 9041 B14R1.3360 CCOCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100012232248 [0,1,0,1,0,0|2,0,0]=4 9042 B14R1.3360 CN1CCC[C@H]1C(=O)CCCCCF 1458a_100009816429_100000729378 [0,1,0,1,0,0|2,0,0]=4 9043 B14R1.3360 CN1CCC[C@H]1C(=O)CCCCCO 1458a_100009816429_100000746330 [0,1,0,1,0,0|2,0,0]=4 9044 B14R1.3360 COCCCCC(=O)C1CCCC1C 1458a_100000690547_100000755781 [0,1,0,1,0,0|1,1,0]=4 9045 B14R1.3360 COCCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000755781 [0,1,0,1,0,0|1,1,0]=4 9046 B14R1.3360 COCCCNC(=O)C1CCCC1C 1626a_100150723488_100000690547 [0,1,0,1,0,0|1,1,0]=4 9047 B14R1.3360 COCCCNC(=O)C1CCCC1C 240690a_100150723488_100000690547 [0,1,0,1,0,0|1,1,0]=4 9048 B14R1.3360 COCCCNC(=O)C1CCCC1C 527a_100150723488_100000690547 [0,1,0,1,0,0|1,1,0]=4 9049 B14R1.3360 COCCCNC(=O)N1CCC[C@@H]1C 2708a_100150723488_100020605311 [0,1,0,1,0,0|1,1,0]=4 9050 B14R1.3360 COCCCNC(=O)N1CCC[C@@H]1C 273464a_100150723488_100020605311 [0,1,0,1,0,0|1,1,0]=4 9051 B14R1.3360 COCCCNC(=O)N1CCC[C@H]1C 2708a_100150723488_100015189458 [0,1,0,1,0,0|1,1,0]=4 9052 B14R1.3360 COCCCNC(=O)N1CCC[C@H]1C 273464a_100150723488_100015189458 [0,1,0,1,0,0|1,1,0]=4 9053 B14R1.3360 COCCCNC(=O)[C@@H]1CCCN1C 240690a_100150723488_100009816429 [0,1,0,1,0,0|1,1,0]=4 9054 B14R1.3360 COCCCNC(=O)[C@@H]1CCCN1C 527a_100150723488_100009816429 [0,1,0,1,0,0|1,1,0]=4 9055 B14R1.3360 CSCCCNC(=O)C1CCCC1C 11a_100000749238_100000690547 [0,1,0,1,0,0|1,0,0]=3 9056 B14R1.3360 CSCCCNC(=O)C1CCCC1C 1626a_100000749238_100000690547 [0,1,0,1,0,0|1,0,0]=3 9057 B14R1.3360 CSCCCNC(=O)C1CCCC1C 240690a_100000749238_100000690547 [0,1,0,1,0,0|1,0,0]=3 9058 B14R1.3360 CSCCCNC(=O)C1CCCC1C 527a_100000749238_100000690547 [0,1,0,1,0,0|1,0,0]=3 9059 B14R1.3360 CSCCCNC(=O)C1CSCN1C 240690a_100000749238_100020666735 [0,1,0,1,0,0|2,0,0]=4 9060 B14R1.3360 CSCCCNC(=O)N1CCC[C@@H]1C 2708a_100000749238_100020605311 [0,1,0,1,0,0|1,0,0]=3 9061 B14R1.3360 CSCCCNC(=O)N1CCC[C@@H]1C 273464a_100000749238_100020605311 [0,1,0,1,0,0|1,0,0]=3 9062 B14R1.3360 CSCCCNC(=O)N1CCC[C@H]1C 2708a_100000749238_100015189458 [0,1,0,1,0,0|1,0,0]=3 9063 B14R1.3360 CSCCCNC(=O)N1CCC[C@H]1C 273464a_100000749238_100015189458 [0,1,0,1,0,0|1,0,0]=3 9064 B14R1.3360 CSCCCNC(=O)N1CCSC1C 2708a_100000749238_200011216479 [0,1,0,1,0,0|2,0,0]=4 9065 B14R1.3360 CSCCCNC(=O)N1CCSC1C 273464a_100000749238_200011216479 [0,1,0,1,0,0|2,0,0]=4 9066 B14R1.3360 CSCCCNC(=O)[C@@H]1CCCN1C 11a_100000749238_100009816429 [0,1,0,1,0,0|1,0,0]=3 9067 B14R1.3360 CSCCCNC(=O)[C@@H]1CCCN1C 240690a_100000749238_100009816429 [0,1,0,1,0,0|1,0,0]=3 9068 B14R1.3360 CSCCCNC(=O)[C@@H]1CCCN1C 527a_100000749238_100009816429 [0,1,0,1,0,0|1,0,0]=3 9069 B14R1.3360 C[C@@H]1CCCN1C(=O)CCCCCO 240690a_100015189458_100102619762 [0,1,0,1,0,0|2,0,0]=4 9070 B14R1.3360 C[C@H]1CCCN1C(=O)CCCCCO 240690a_100020605311_100102619762 [0,1,0,1,0,0|2,0,0]=4 9071 B14R1.3684 CCCCCCC(=O)NCC1CCC1 11a_100000738700_100102632555 [0,1,0,1,0,0|2,0,0]=4 9072 B14R1.3684 CCCCCCC(=O)NCC1CCC1 1626a_100000738700_100102632555 [0,1,0,1,0,0|2,0,0]=4 9073 B14R1.3684 CCCCCCC(=O)NCC1CCC1 240690a_100000738700_100102632555 [0,1,0,1,0,0|2,0,0]=4 9074 B14R1.3684 CCCCCCC(=O)NCC1CCC1 527a_100000738700_100102632555 [0,1,0,1,0,0|2,0,0]=4 9075 B14R1.3684 CCCCCCC(=O)NCC1COC1 11a_100015281925_100102632555 [0,1,0,1,0,0|1,1,0]=4 9076 B14R1.3684 CCCCCCC(=O)NCC1COC1 1626a_100015281925_100102632555 [0,1,0,1,0,0|1,1,0]=4 9077 B14R1.3684 CCCCCCC(=O)NCC1COC1 240690a_100015281925_100102632555 [0,1,0,1,0,0|1,1,0]=4 9078 B14R1.3684 CCCCCCC(=O)NCC1COC1 527a_100015281925_100102632555 [0,1,0,1,0,0|1,1,0]=4 9079 B14R1.3684 CCCCCNC(=O)CNC1CCC1 2230a_100000749019_100000230301 [0,1,0,1,0,0|2,0,0]=4 9080 B14R1.3684 CCCCCNC(=O)CNC1CCC1 34a_100000749019_100000230301 [0,1,0,1,0,0|2,0,0]=4 9081 B14R1.3684 CCCCCNC(=O)COC1CCC1 34a_100000748187_100000230301 [0,1,0,1,0,0|2,0,0]=4 9082 B14R1.3684 CCCCCNC(=O)COC1CSC1 7a_100000072292_100000230301 [0,1,0,1,0,0|2,0,0]=4 9083 B14R1.3684 CCCCCNC(=O)CSC1CCC1 62a_100000230301_100000749161 [0,1,0,1,0,0|2,0,0]=4 9084 B14R1.3684 CCCCCNC(=O)NCC1CCC1 2708a_100000209983_100000738700 [0,1,0,1,0,0|2,0,0]=4 9085 B14R1.3684 CCCCCNC(=O)NCC1CCC1 2708a_100000738700_100000209983 [0,1,0,1,0,0|2,0,0]=4 9086 B14R1.3684 CCCCCNC(=O)NCC1CCC1 273464a_100000209983_100000738700 [0,1,0,1,0,0|2,0,0]=4 9087 B14R1.3684 CCCCCNC(=O)NCC1CCC1 273464a_100000738700_100000209983 [0,1,0,1,0,0|2,0,0]=4 9088 B14R1.3684 CCCCCNC(=O)NCC1CCC1 512a_100000209983_100000738700 [0,1,0,1,0,0|2,0,0]=4 9089 B14R1.3684 CCCCCNC(=O)NCC1CCC1 512a_100000738700_100000209983 [0,1,0,1,0,0|2,0,0]=4 9090 B14R1.3684 CCCCCNC(=O)NCC1COC1 2708a_100000209983_100015281925 [0,1,0,1,0,0|1,1,0]=4 9091 B14R1.3684 CCCCCNC(=O)NCC1COC1 2708a_100015281925_100000209983 [0,1,0,1,0,0|1,1,0]=4 9092 B14R1.3684 CCCCCNC(=O)NCC1COC1 273464a_100000209983_100015281925 [0,1,0,1,0,0|1,1,0]=4 9093 B14R1.3684 CCCCCNC(=O)NCC1COC1 273464a_100015281925_100000209983 [0,1,0,1,0,0|1,1,0]=4 9094 B14R1.3684 CCCCCNC(=O)NCC1COC1 512a_100000209983_100015281925 [0,1,0,1,0,0|1,1,0]=4 9095 B14R1.3684 CCCCCNC(=O)NCC1COC1 512a_100015281925_100000209983 [0,1,0,1,0,0|1,1,0]=4 9096 B14R1.3684 CCCCOCC(=O)NCC1CCC1 11a_100000738700_100000757543 [0,1,0,1,0,0|2,0,0]=4 9097 B14R1.3684 CCCCOCC(=O)NCC1CCC1 1626a_100000738700_100000757543 [0,1,0,1,0,0|2,0,0]=4 9098 B14R1.3684 CCCCOCC(=O)NCC1CCC1 240690a_100000738700_100000757543 [0,1,0,1,0,0|2,0,0]=4 9099 B14R1.3684 CCCCOCC(=O)NCC1CCC1 527a_100000738700_100000757543 [0,1,0,1,0,0|2,0,0]=4 9100 B14R1.3684 CCCCOCC(=O)NCC1COC1 11a_100015281925_100000757543 [0,1,0,1,0,0|1,1,0]=4 9101 B14R1.3684 CCCCOCC(=O)NCC1COC1 1626a_100015281925_100000757543 [0,1,0,1,0,0|1,1,0]=4 9102 B14R1.3684 CCCCOCC(=O)NCC1COC1 240690a_100015281925_100000757543 [0,1,0,1,0,0|1,1,0]=4 9103 B14R1.3684 CCCCOCC(=O)NCC1COC1 527a_100015281925_100000757543 [0,1,0,1,0,0|1,1,0]=4 9104 B14R1.3684 CCCCSCC(=O)NCC1CCC1 11a_100000738700_100000191162 [0,1,0,1,0,0|2,0,0]=4 9105 B14R1.3684 CCCCSCC(=O)NCC1CCC1 1626a_100000738700_100000191162 [0,1,0,1,0,0|2,0,0]=4 9106 B14R1.3684 CCCCSCC(=O)NCC1CCC1 240690a_100000738700_100000191162 [0,1,0,1,0,0|2,0,0]=4 9107 B14R1.3684 CCCCSCC(=O)NCC1CCC1 527a_100000738700_100000191162 [0,1,0,1,0,0|2,0,0]=4 9108 B14R1.3684 CCCCSCC(=O)NCC1COC1 11a_100015281925_100000191162 [0,1,0,1,0,0|1,1,0]=4 9109 B14R1.3684 CCCCSCC(=O)NCC1COC1 1626a_100015281925_100000191162 [0,1,0,1,0,0|1,1,0]=4 9110 B14R1.3684 CCCCSCC(=O)NCC1COC1 240690a_100015281925_100000191162 [0,1,0,1,0,0|1,1,0]=4 9111 B14R1.3684 CCCCSCC(=O)NCC1COC1 527a_100015281925_100000191162 [0,1,0,1,0,0|1,1,0]=4 9112 B14R1.3684 CCOCCOC(=O)CNC1CCC1 2230a_100000749019_200000101388 [0,1,0,1,0,0|2,0,0]=4 9113 B14R1.3684 CCOCCOC(=O)CNC1CCC1 34a_100000749019_200000101388 [0,1,0,1,0,0|2,0,0]=4 9114 B14R1.3684 CCOCCOC(=O)COC1CCC1 34a_100000748187_200000101388 [0,1,0,1,0,0|2,0,0]=4 9115 B14R1.3684 CCOCCOC(=O)CSC1CCC1 62a_200000101388_100000749161 [0,1,0,1,0,0|2,0,0]=4 9116 B14R1.3684 COCCCNC(=O)CNC1CCC1 2230a_100000749019_100000183178 [0,1,0,1,0,0|1,1,0]=4 9117 B14R1.3684 COCCCNC(=O)CNC1CCC1 34a_100000749019_100000183178 [0,1,0,1,0,0|1,1,0]=4 9118 B14R1.3684 COCCCNC(=O)COC1CCC1 34a_100000748187_100000183178 [0,1,0,1,0,0|1,1,0]=4 9119 B14R1.3684 COCCCNC(=O)CSC1CCC1 62a_100000183178_100000749161 [0,1,0,1,0,0|1,1,0]=4 9120 B14R1.3684 COCCCNC(=O)NCC1CCC1 2708a_100000738700_100150723488 [0,1,0,1,0,0|1,1,0]=4 9121 B14R1.3684 COCCCNC(=O)NCC1CCC1 2708a_100150723488_100000738700 [0,1,0,1,0,0|1,1,0]=4 9122 B14R1.3684 COCCCNC(=O)NCC1CCC1 273464a_100000738700_100150723488 [0,1,0,1,0,0|1,1,0]=4 9123 B14R1.3684 COCCCNC(=O)NCC1CCC1 273464a_100150723488_100000738700 [0,1,0,1,0,0|1,1,0]=4 9124 B14R1.3684 COCCCNC(=O)NCC1CCC1 512a_100000738700_100150723488 [0,1,0,1,0,0|1,1,0]=4 9125 B14R1.3684 CSCCCNC(=O)NCC1CCC1 2708a_100000738700_100000749238 [0,1,0,1,0,0|1,0,0]=3 9126 B14R1.3684 CSCCCNC(=O)NCC1CCC1 2708a_100000749238_100000738700 [0,1,0,1,0,0|1,0,0]=3 9127 B14R1.3684 CSCCCNC(=O)NCC1CCC1 273464a_100000738700_100000749238 [0,1,0,1,0,0|1,0,0]=3 9128 B14R1.3684 CSCCCNC(=O)NCC1CCC1 273464a_100000749238_100000738700 [0,1,0,1,0,0|1,0,0]=3 9129 B14R1.3684 CSCCCNC(=O)NCC1CCC1 512a_100000738700_100000749238 [0,1,0,1,0,0|1,0,0]=3 9130 B14R1.3684 CSCCCNC(=O)NCC1CCC1 512a_100000749238_100000738700 [0,1,0,1,0,0|1,0,0]=3 9131 B14R1.3684 CSCCCNC(=O)NCC1COC1 2708a_100000749238_100015281925 [0,1,0,1,0,0|2,0,0]=4 9132 B14R1.3684 CSCCCNC(=O)NCC1COC1 2708a_100015281925_100000749238 [0,1,0,1,0,0|2,0,0]=4 9133 B14R1.3684 CSCCCNC(=O)NCC1COC1 273464a_100000749238_100015281925 [0,1,0,1,0,0|2,0,0]=4 9134 B14R1.3684 CSCCCNC(=O)NCC1COC1 273464a_100015281925_100000749238 [0,1,0,1,0,0|2,0,0]=4 9135 B14R1.3684 CSCCCNC(=O)NCC1COC1 512a_100000749238_100015281925 [0,1,0,1,0,0|2,0,0]=4 9136 B14R1.3684 CSCCCNC(=O)NCC1COC1 512a_100015281925_100000749238 [0,1,0,1,0,0|2,0,0]=4 9137 B14R1.3684 CSCCCNC(=O)NC[C@@H]1CCO1 2708a_100000749238_100020831831 [0,1,0,1,0,0|2,0,0]=4 9138 B14R1.3684 CSCCCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100000749238 [0,1,0,1,0,0|2,0,0]=4 9139 B14R1.3684 CSCCCNC(=O)NC[C@@H]1CCO1 273464a_100000749238_100020831831 [0,1,0,1,0,0|2,0,0]=4 9140 B14R1.3684 CSCCCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100000749238 [0,1,0,1,0,0|2,0,0]=4 9141 B14R1.3684 CSCCCNC(=O)NC[C@@H]1CCO1 512a_100000749238_100020831831 [0,1,0,1,0,0|2,0,0]=4 9142 B14R1.3684 CSCCCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100000749238 [0,1,0,1,0,0|2,0,0]=4 9143 B14R1.3684 CSCCCNC(=O)NNC1CCC1 273464a_100000749238_100000736358 [0,1,0,1,0,0|2,0,0]=4 9144 B14R1.3684 CSCCCNC(=O)NNC1CCC1 512a_100000736358_100000749238 [0,1,0,1,0,0|2,0,0]=4 9145 B14R1.3684 CSCCCNC(=O)NNC1CCC1 512a_100000749238_100000736358 [0,1,0,1,0,0|2,0,0]=4 9146 B14R1.3684 O=C(CCCCCO)NCC1CCC1 240690a_100000738700_100102619762 [0,1,0,1,0,0|2,0,0]=4 9147 B14R1.3684 O=C(CCCCCO)NCC1COC1 240690a_100015281925_100102619762 [0,1,0,1,0,0|1,1,0]=4 9148 B14R1.3686 CCCCCNC(=O)CN1CCC1C 269982a_100000755817_100000230301 [0,1,0,1,0,0|2,0,0]=4 9149 B14R1.3686 CCCCCNC(=O)CN1CCC1C 34a_100000755817_100000230301 [0,1,0,1,0,0|2,0,0]=4 9150 B14R1.3686 CCOCCOC(=O)CN1CCC1C 269982a_100000755817_200000101388 [0,1,0,1,0,0|2,0,0]=4 9151 B14R1.3686 CCOCCOC(=O)CN1CCC1C 34a_100000755817_200000101388 [0,1,0,1,0,0|2,0,0]=4 9152 B14R1.3686 COCCCNC(=O)CN1CCC1C 269982a_100000755817_100000183178 [0,1,0,1,0,0|1,1,0]=4 9153 B14R1.3686 COCCCNC(=O)CN1CCC1C 34a_100000755817_100000183178 [0,1,0,1,0,0|1,1,0]=4 9154 B14R1.20 CCCCCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210326 [0,1,0,1,0,0|2,0,0]=4 9155 B14R1.20 CCCCCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210326 [0,1,0,1,0,0|2,0,0]=4 9156 B14R1.20 CCCCCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210326 [0,1,0,1,0,0|2,0,0]=4 9157 B14R1.20 CCCCCC(=O)N1CCCC(C1)F 11a_100000697950_100000212188 [0,1,0,1,0,0|2,0,0]=4 9158 B14R1.20 CCCCCC(=O)N1CCCC(C1)F 1626a_100000697950_100000212188 [0,1,0,1,0,0|2,0,0]=4 9159 B14R1.20 CCCCCC(=O)N1CCCC(C1)F 240690a_100000697950_100000212188 [0,1,0,1,0,0|2,0,0]=4 9160 B14R1.20 CCCCCC(=O)N1CCCC(C1)F 527a_100000697950_100000212188 [0,1,0,1,0,0|2,0,0]=4 9161 B14R1.20 CCCCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000212188 [0,1,0,1,0,0|2,0,0]=4 9162 B14R1.20 CCCCCC(=O)N1CCCC(C1)O 527a_100000211013_100000212188 [0,1,0,1,0,0|2,0,0]=4 9163 B14R1.20 CCCCCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000212188 [0,1,0,1,0,0|2,0,0]=4 9164 B14R1.20 CCCCCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000212188 [0,1,0,1,0,0|2,0,0]=4 9165 B14R1.20 CCCCCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000212188 [0,1,0,1,0,0|2,0,0]=4 9166 B14R1.157 CCCCCC(=O)CC1CCN(C1)C 1458a_100000212188_200000690779 [0,1,0,1,0,0|2,0,0]=4 9167 B14R1.157 CCCCCC(=O)NC1CCN(C1)C 1626a_100000744687_100000212188 [0,1,0,1,0,0|2,0,0]=4 9168 B14R1.157 CCCCCC(=O)NC1CCN(C1)C 240690a_100000744687_100000212188 [0,1,0,1,0,0|2,0,0]=4 9169 B14R1.157 CCCCCC(=O)NC1CCN(C1)C 527a_100000744687_100000212188 [0,1,0,1,0,0|2,0,0]=4 9170 B14R1.157 CCCCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000212188 [0,1,0,1,0,0|2,0,0]=4 9171 B14R1.157 CCCCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000212188 [0,1,0,1,0,0|2,0,0]=4 9172 B14R1.418 CC(=O)CCCCC(=O)C1CCCC1 1458a_100000210718_100000735457 [0,1,0,1,0,0|2,0,0]=4 9173 B14R1.418 CC(C)CCCCC(=O)C1CCCC1 1458a_100000210718_100011216152 [0,1,0,1,0,0|2,0,0]=4 9174 B14R1.418 CC(C)CCCCC(=O)C1CCCC1 1458a_100011933920_100000179811 [0,1,0,1,0,0|2,0,0]=4 9175 B14R1.418 CC(C)CCCNC(=O)C1CCCC1 11a_200000737386_100000210718 [0,1,0,1,0,0|2,0,0]=4 9176 B14R1.418 CC(C)CCCNC(=O)C1CCCC1 1626a_200000737386_100000210718 [0,1,0,1,0,0|2,0,0]=4 9177 B14R1.418 CC(C)CCCNC(=O)C1CCCC1 240690a_200000737386_100000210718 [0,1,0,1,0,0|2,0,0]=4 9178 B14R1.418 CC(C)CCCNC(=O)C1CCCC1 527a_200000737386_100000210718 [0,1,0,1,0,0|2,0,0]=4 9179 B14R1.418 CN(C)CCCNC(=O)C1CCCC1 240690a_102531767803_100000210718 [0,1,0,1,0,0|2,0,0]=4 9180 B14R1.418 CN(C)CCCNC(=O)C1CCCC1 527a_102531767803_100000210718 [0,1,0,1,0,0|2,0,0]=4 9181 B14R1.418 CS(=O)CCCNC(=O)C1CCCC1 11a_200000753449_100000210718 [0,1,0,1,0,0|1,0,1]=4 9182 B14R1.418 CS(=O)CCCNC(=O)C1CCCC1 240690a_200000753449_100000210718 [0,1,0,1,0,0|1,0,1]=4 9183 B14R1.418 CS(=O)CCCNC(=O)C1CCCC1 527a_200000753449_100000210718 [0,1,0,1,0,0|1,0,1]=4 9184 B14R1.1037 CCCCCC(=O)CNCCC1CC1 34a_100000764129_200012276598 [0,1,0,1,0,0|2,0,0]=4 9185 B14R1.1037 CCCCCC(=O)COCCC1CC1 34a_100000754188_200012276598 [0,1,0,1,0,0|1,0,0]=3 9186 B14R1.1037 CCCCCC(=O)COCCC1CC1 7a_100000754188_200012276598 [0,1,0,1,0,0|1,0,0]=3 9187 B14R1.1037 CCCCCC(=O)COCC[C@@H]1CO1 34a_100009820653_200012276598 [0,1,0,1,0,0|0,1,0]=3 9188 B14R1.1037 CCCCCC(=O)CSCCC1CC1 62a_100000764125_200012276598 [0,1,0,1,0,0|1,1,0]=4 9189 B14R1.1037 CCCCCC(=O)CSCCC1CC1 62a_200012276598_100000764125 [0,1,0,1,0,0|1,1,0]=4 9190 B14R1.1037 CCCCCC(=O)CSCCC1CO1 62a_100000732470_200012276598 [0,1,0,1,0,0|0,2,0]=4 9191 B14R1.1037 CCCCCC(=O)CSCCC1CO1 62a_200012276598_100000732470 [0,1,0,1,0,0|0,2,0]=4 9192 B14R1.1037 CCCCNC(=O)COCCC1CC1 34a_100000754188_100000182744 [0,1,0,1,0,0|2,0,0]=4 9193 B14R1.1037 CCCCNC(=O)COCCC1CC1 7a_100000754188_100000182744 [0,1,0,1,0,0|2,0,0]=4 9194 B14R1.1037 CCCCNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000182744 [0,1,0,1,0,0|1,1,0]=4 9195 B14R1.1037 CCCCOC(=O)COCCC1CC1 34a_100000754188_100000211628 [0,1,0,1,0,0|2,0,0]=4 9196 B14R1.1037 CCCCOC(=O)COCCC1CC1 7a_100000754188_100000211628 [0,1,0,1,0,0|2,0,0]=4 9197 B14R1.1037 CCCCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000211628 [0,1,0,1,0,0|1,1,0]=4 9198 B14R1.1039 C=C1CC(C1)CNC(=O)CCCCC 11a_100102567296_100000212188 [0,1,0,1,0,0|2,0,0]=4 9199 B14R1.1039 C=C1CC(C1)CNC(=O)CCCCC 1626a_100102567296_100000212188 [0,1,0,1,0,0|2,0,0]=4 9200 B14R1.1039 C=C1CC(C1)CNC(=O)CCCCC 240690a_100102567296_100000212188 [0,1,0,1,0,0|2,0,0]=4 9201 B14R1.1039 C=C1CC(C1)CNC(=O)CCCCC 527a_100102567296_100000212188 [0,1,0,1,0,0|2,0,0]=4 9202 B14R1.1039 CCCCCC(=O)NCC1CC(C1)O 11a_100016992100_100000212188 [0,1,0,1,0,0|2,0,0]=4 9203 B14R1.1039 CCCCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000212188 [0,1,0,1,0,0|2,0,0]=4 9204 B14R1.1039 CCCCCC(=O)NCC1CN(C1)C 240690a_100000723568_100000212188 [0,1,0,1,0,0|2,0,0]=4 9205 B14R1.1046 CCCCCC(=O)N1CCCC1(C)C 11a_100000761399_100000212188 [0,1,0,1,0,0|2,0,0]=4 9206 B14R1.1046 CCCCCC(=O)N1CCCC1(C)C 1626a_100000761399_100000212188 [0,1,0,1,0,0|2,0,0]=4 9207 B14R1.1046 CCCCCC(=O)N1CCCC1(C)C 240690a_100000761399_100000212188 [0,1,0,1,0,0|2,0,0]=4 9208 B14R1.1046 CCCCCC(=O)N1CCCC1(C)C 527a_100000761399_100000212188 [0,1,0,1,0,0|2,0,0]=4 9209 B14R1.1046 CCCCCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210326 [0,1,0,1,0,0|2,0,0]=4 9210 B14R1.2043 CCC1CC1C(=O)CCCCC(=O)C 1458a_200011661523_100000735457 [0,1,0,1,0,0|2,0,0]=4 9211 B14R1.2043 CCC1CC1C(=O)CCCCC(C)C 1458a_200011661523_100011216152 [0,1,0,1,0,0|2,0,0]=4 9212 B14R1.2043 CCC1CC1C(=O)NCCCC(C)C 11a_200000737386_200011661523 [0,1,0,1,0,0|2,0,0]=4 9213 B14R1.2043 CCC1CC1C(=O)NCCCC(C)C 1626a_200000737386_200011661523 [0,1,0,1,0,0|2,0,0]=4 9214 B14R1.2043 CCC1CC1C(=O)NCCCC(C)C 240690a_200000737386_200011661523 [0,1,0,1,0,0|2,0,0]=4 9215 B14R1.2043 CCC1CC1C(=O)NCCCC(C)C 527a_200000737386_200011661523 [0,1,0,1,0,0|2,0,0]=4 9216 B14R1.2043 CCC1CC1C(=O)NCCCN(C)C 240690a_102531767803_200011661523 [0,1,0,1,0,0|2,0,0]=4 9217 B14R1.2043 CCC1CC1C(=O)NCCCN(C)C 527a_102531767803_200011661523 [0,1,0,1,0,0|2,0,0]=4 9218 B14R1.2043 CCC1CC1C(=O)NCCCS(=O)C 11a_200000753449_200011661523 [0,1,0,1,0,0|1,0,1]=4 9219 B14R1.2043 CCC1CC1C(=O)NCCCS(=O)C 240690a_200000753449_200011661523 [0,1,0,1,0,0|1,0,1]=4 9220 B14R1.2043 CCC1CC1C(=O)NCCCS(=O)C 527a_200000753449_200011661523 [0,1,0,1,0,0|1,0,1]=4 9221 B14R1.3606 CCCCCC(=O)COCC1CC1C 34a_100000744939_200012276598 [0,1,0,1,0,0|1,0,0]=3 9222 B14R1.3606 CCCCCC(=O)COCC1CC1C 7a_100000744939_200012276598 [0,1,0,1,0,0|1,0,0]=3 9223 B14R1.3606 CCCCNC(=O)COCC1CC1C 34a_100000744939_100000182744 [0,1,0,1,0,0|2,0,0]=4 9224 B14R1.3606 CCCCNC(=O)COCC1CC1C 7a_100000744939_100000182744 [0,1,0,1,0,0|2,0,0]=4 9225 B14R1.3606 CCCCOC(=O)COCC1CC1C 34a_100000744939_100000211628 [0,1,0,1,0,0|2,0,0]=4 9226 B14R1.3606 CCCCOC(=O)COCC1CC1C 7a_100000744939_100000211628 [0,1,0,1,0,0|2,0,0]=4 9227 B14R1.6366 CC(=O)CCCCC(=O)CC1CCC1 1458a_100000763092_100000735457 [0,1,0,1,0,0|2,0,0]=4 9228 B14R1.6366 CC(C)CCCCC(=O)CC1CCC1 1458a_100000763092_100011216152 [0,1,0,1,0,0|2,0,0]=4 9229 B14R1.6366 CC(C)CCCCC(=O)CC1CCC1 1458a_100011933920_100000763275 [0,1,0,1,0,0|2,0,0]=4 9230 B14R1.6366 CC(C)CCCNC(=O)CC1CCC1 11a_200000737386_100000763092 [0,1,0,1,0,0|2,0,0]=4 9231 B14R1.6366 CC(C)CCCNC(=O)CC1CCC1 1626a_200000737386_100000763092 [0,1,0,1,0,0|2,0,0]=4 9232 B14R1.6366 CC(C)CCCNC(=O)CC1CCC1 240690a_200000737386_100000763092 [0,1,0,1,0,0|2,0,0]=4 9233 B14R1.6366 CC(C)CCCNC(=O)CC1CCC1 527a_200000737386_100000763092 [0,1,0,1,0,0|2,0,0]=4 9234 B14R1.6366 CN(C)CCCNC(=O)CC1CCC1 240690a_102531767803_100000763092 [0,1,0,1,0,0|2,0,0]=4 9235 B14R1.6366 CN(C)CCCNC(=O)CC1CCC1 527a_102531767803_100000763092 [0,1,0,1,0,0|2,0,0]=4 9236 B14R1.6366 CS(=O)CCCNC(=O)CC1CCC1 11a_200000753449_100000763092 [0,1,0,1,0,0|1,0,1]=4 9237 B14R1.6366 CS(=O)CCCNC(=O)CC1CCC1 240690a_200000753449_100000763092 [0,1,0,1,0,0|1,0,1]=4 9238 B14R1.6366 CS(=O)CCCNC(=O)CC1CCC1 527a_200000753449_100000763092 [0,1,0,1,0,0|1,0,1]=4 9239 B14R1.6367 CC(=O)CCCCC(=O)CCC1CC1 1458a_100000756386_100000735457 [0,1,0,1,0,0|2,0,0]=4 9240 B14R1.6367 CC(C)CCCCC(=O)CCC1CC1 1458a_100000756386_100011216152 [0,1,0,1,0,0|2,0,0]=4 9241 B14R1.6367 CC(C)CCCCC(=O)CCC1CC1 1458a_100011933920_100000694398 [0,1,0,1,0,0|2,0,0]=4 9242 B14R1.6367 CC(C)CCCNC(=O)CCC1CC1 11a_200000737386_100000756386 [0,1,0,1,0,0|2,0,0]=4 9243 B14R1.6367 CC(C)CCCNC(=O)CCC1CC1 1626a_200000737386_100000756386 [0,1,0,1,0,0|2,0,0]=4 9244 B14R1.6367 CC(C)CCCNC(=O)CCC1CC1 240690a_200000737386_100000756386 [0,1,0,1,0,0|2,0,0]=4 9245 B14R1.6367 CC(C)CCCNC(=O)CCC1CC1 527a_200000737386_100000756386 [0,1,0,1,0,0|2,0,0]=4 9246 B14R1.6367 CN(C)CCCNC(=O)CCC1CC1 240690a_102531767803_100000756386 [0,1,0,1,0,0|2,0,0]=4 9247 B14R1.6367 CN(C)CCCNC(=O)CCC1CC1 527a_102531767803_100000756386 [0,1,0,1,0,0|2,0,0]=4 9248 B14R1.6367 CS(=O)CCCNC(=O)CCC1CC1 11a_200000753449_100000756386 [0,1,0,1,0,0|1,0,1]=4 9249 B14R1.6367 CS(=O)CCCNC(=O)CCC1CC1 240690a_200000753449_100000756386 [0,1,0,1,0,0|1,0,1]=4 9250 B14R1.6367 CS(=O)CCCNC(=O)CCC1CC1 527a_200000753449_100000756386 [0,1,0,1,0,0|1,0,1]=4 9251 B14R1.86 CCCCCC(=NNC1CCSC1)C 4a_200000731317_100000211708 [0,1,0,1,0,0|2,0,0]=4 9252 B14R1.86 CCCCCC(=O)CCC1CCCC1 1458a_100000211120_100000210326 [0,1,0,1,0,0|2,0,0]=4 9253 B14R1.86 CCCCCC(=O)CCC1CCCC1 1458a_100000212188_100000760354 [0,1,0,1,0,0|2,0,0]=4 9254 B14R1.86 CCCCCC(=O)CCC1CCCO1 1458a_100011247709_100000210326 [0,1,0,1,0,0|2,0,0]=4 9255 B14R1.86 CCCCCC(=O)CCN1CCCC1 1458a_100000212188_100000004467 [0,1,0,1,0,0|2,0,0]=4 9256 B14R1.86 CCCCCC(=O)CCN1CCCC1 1458a_100000738983_100000210326 [0,1,0,1,0,0|2,0,0]=4 9257 B14R1.86 CCCCCC(=O)CNC1CCCC1 2230a_100000211070_200012276598 [0,1,0,1,0,0|2,0,0]=4 9258 B14R1.86 CCCCCC(=O)CNC1CCCC1 34a_100000211070_200012276598 [0,1,0,1,0,0|2,0,0]=4 9259 B14R1.86 CCCCCC(=O)CN[C@@H]1CCOC1 2230a_200015188469_200012276598 [0,1,0,1,0,0|1,1,0]=4 9260 B14R1.86 CCCCCC(=O)CN[C@H]1CCOC1 2230a_100015188467_200012276598 [0,1,0,1,0,0|1,1,0]=4 9261 B14R1.86 CCCCCC(=O)CN[C@H]1CCOC1 34a_100015188467_200012276598 [0,1,0,1,0,0|1,1,0]=4 9262 B14R1.86 CCCCCC(=O)COC1CCCC1 1458a_100000741352_100000210326 [0,1,0,1,0,0|1,0,0]=3 9263 B14R1.86 CCCCCC(=O)COC1CCCC1 34a_100000210269_200012276598 [0,1,0,1,0,0|1,0,0]=3 9264 B14R1.86 CCCCCC(=O)COC1CCCC1 7a_100000210269_200012276598 [0,1,0,1,0,0|1,0,0]=3 9265 B14R1.86 CCCCCC(=O)COC1CCCO1 34a_100000085407_200012276598 [0,1,0,1,0,0|2,0,0]=4 9266 B14R1.86 CCCCCC(=O)COC1CCSC1 7a_100011232664_200012276598 [0,1,0,1,0,0|0,0,0]=2 9267 B14R1.86 CCCCCC(=O)CO[C@H]1CCOC1 34a_100000717292_200012276598 [0,1,0,1,0,0|0,1,0]=3 9268 B14R1.86 CCCCCC(=O)CSC1CCCC1 62a_100011217020_200012276598 [0,1,0,1,0,0|1,1,0]=4 9269 B14R1.86 CCCCCC(=O)CSC1CCCC1 62a_200012276598_100000179811 [0,1,0,1,0,0|1,1,0]=4 9270 B14R1.86 CCCCCC(=O)CSC1CCOC1 62a_200012276598_100000690089 [0,1,0,1,0,0|0,2,0]=4 9271 B14R1.86 CCCCCC(=O)NCC1CCCC1 11a_100000737975_100000212188 [0,1,0,1,0,0|2,0,0]=4 9272 B14R1.86 CCCCCC(=O)NCC1CCCC1 1626a_100000737975_100000212188 [0,1,0,1,0,0|2,0,0]=4 9273 B14R1.86 CCCCCC(=O)NCC1CCCC1 240690a_100000737975_100000212188 [0,1,0,1,0,0|2,0,0]=4 9274 B14R1.86 CCCCCC(=O)NCC1CCCC1 527a_100000737975_100000212188 [0,1,0,1,0,0|2,0,0]=4 9275 B14R1.86 CCCCCC(=O)NCC1CCOC1 11a_100000737293_100000212188 [0,1,0,1,0,0|1,1,0]=4 9276 B14R1.86 CCCCCC(=O)NCC1CCOC1 1626a_100000737293_100000212188 [0,1,0,1,0,0|1,1,0]=4 9277 B14R1.86 CCCCCC(=O)NCC1CCOC1 240690a_100000737293_100000212188 [0,1,0,1,0,0|1,1,0]=4 9278 B14R1.86 CCCCCC(=O)NCC1CCOC1 527a_100000737293_100000212188 [0,1,0,1,0,0|1,1,0]=4 9279 B14R1.86 CCCCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000212188 [0,1,0,1,0,0|2,0,0]=4 9280 B14R1.86 CCCCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000212188 [0,1,0,1,0,0|2,0,0]=4 9281 B14R1.86 CCCCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000212188 [0,1,0,1,0,0|2,0,0]=4 9282 B14R1.86 CCCCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000212188 [0,1,0,1,0,0|2,0,0]=4 9283 B14R1.86 CCCCCC(=O)NN=C1CCSC1 4a_100000189784_100000212027 [0,1,0,1,0,0|1,0,1]=4 9284 B14R1.86 CCCCCC(=O)NNC1CCCC1 22a_100000737850_100000212188 [0,1,0,1,0,0|2,0,0]=4 9285 B14R1.86 CCCCCC(=O)NNC1CCOC1 22a_100000690549_100000212188 [0,1,0,1,0,0|1,1,0]=4 9286 B14R1.86 CCCCCC(=O)NNC1CCSC1 22a_200000731317_100000212188 [0,1,0,1,0,0|1,0,0]=3 9287 B14R1.86 CCCCNC(=O)COC1CCCC1 11a_100000102301_100000741352 [0,1,0,1,0,0|2,0,0]=4 9288 B14R1.86 CCCCNC(=O)COC1CCCC1 1626a_100000102301_100000741352 [0,1,0,1,0,0|2,0,0]=4 9289 B14R1.86 CCCCNC(=O)COC1CCCC1 240690a_100000102301_100000741352 [0,1,0,1,0,0|2,0,0]=4 9290 B14R1.86 CCCCNC(=O)COC1CCCC1 34a_100000210269_100000182744 [0,1,0,1,0,0|2,0,0]=4 9291 B14R1.86 CCCCNC(=O)COC1CCCC1 527a_100000102301_100000741352 [0,1,0,1,0,0|2,0,0]=4 9292 B14R1.86 CCCCNC(=O)COC1CCCC1 7a_100000210269_100000182744 [0,1,0,1,0,0|2,0,0]=4 9293 B14R1.86 CCCCNC(=O)COC1CCSC1 7a_100011232664_100000182744 [0,1,0,1,0,0|1,0,0]=3 9294 B14R1.86 CCCCNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000182744 [0,1,0,1,0,0|1,1,0]=4 9295 B14R1.86 CCCCNC(=O)NNC1CCSC1 273464a_100000102301_200000731317 [0,1,0,1,0,0|2,0,0]=4 9296 B14R1.86 CCCCNC(=O)NNC1CCSC1 512a_100000102301_200000731317 [0,1,0,1,0,0|2,0,0]=4 9297 B14R1.86 CCCCNC(=O)NNC1CCSC1 512a_200000731317_100000102301 [0,1,0,1,0,0|2,0,0]=4 9298 B14R1.86 CCCCOC(=O)COC1CCCC1 34a_100000210269_100000211628 [0,1,0,1,0,0|2,0,0]=4 9299 B14R1.86 CCCCOC(=O)COC1CCCC1 7a_100000210269_100000211628 [0,1,0,1,0,0|2,0,0]=4 9300 B14R1.86 CCCCOC(=O)COC1CCSC1 7a_100011232664_100000211628 [0,1,0,1,0,0|1,0,0]=3 9301 B14R1.86 CCCCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000211628 [0,1,0,1,0,0|1,1,0]=4 9302 B14R1.86 CCCOCC(=O)NNC1CCSC1 22a_200000731317_100000745993 [0,1,0,1,0,0|2,0,0]=4 9303 B14R1.86 CCCSCC(=O)NNC1CCSC1 22a_200000731317_100000217233 [0,1,0,1,0,0|2,0,0]=4 9304 B14R1.86 CCOCCC(=O)COC1CCCC1 1458a_100000741352_100011215890 [0,1,0,1,0,0|2,0,0]=4 9305 B14R1.86 CCOCCC(=O)NNC1CCSC1 22a_200000731317_100000749530 [0,1,0,1,0,0|2,0,0]=4 9306 B14R1.86 CCSCCC(=O)COC1CCCC1 1458a_100000741352_100000757381 [0,1,0,1,0,0|2,0,0]=4 9307 B14R1.86 CCSCCC(=O)NNC1CCSC1 22a_200000731317_100000230768 [0,1,0,1,0,0|2,0,0]=4 9308 B14R1.86 COCCCC(=O)COC1CCCC1 1458a_100000741352_100000740836 [0,1,0,1,0,0|2,0,0]=4 9309 B14R1.86 COCCCC(=O)NNC1CCSC1 22a_200000731317_100000741012 [0,1,0,1,0,0|2,0,0]=4 9310 B14R1.86 COCCNC(=O)COC1CCSC1 7a_100011232664_100000183275 [0,1,0,1,0,0|2,0,0]=4 9311 B14R1.86 COCCOC(=O)COC1CCSC1 7a_100011232664_200000040189 [0,1,0,1,0,0|2,0,0]=4 9312 B14R1.86 CSCCCC(=O)NNC1CCSC1 22a_200000731317_100000173376 [0,1,0,1,0,0|2,0,0]=4 9313 B14R1.86 O=C(CCCCF)COC1CCCC1 1458a_100000741352_100000729493 [0,1,0,1,0,0|2,0,0]=4 9314 B14R1.86 O=C(CCCCO)COC1CCCC1 1458a_100000741352_100000210776 [0,1,0,1,0,0|2,0,0]=4 9315 B14R1.100 COCC(O)CNC(=O)C1CCCC1 240690a_100000756049_100000210718 [0,1,0,1,0,0|1,1,0]=4 9316 B14R1.100 COCC(O)CNC(=O)C1CCCC1 527a_100000756049_100000210718 [0,1,0,1,0,0|1,1,0]=4 9317 B14R1.1041 CCCCCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000210326 [0,1,0,1,0,0|2,0,0]=4 9318 B14R1.1047 CCCCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_200012276598 [0,1,0,1,0,0|2,0,0]=4 9319 B14R1.1047 CCCCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_200012276598 [0,1,0,1,0,0|2,0,0]=4 9320 B14R1.1047 CCCCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_200012276598 [0,1,0,1,0,0|2,0,0]=4 9321 B14R1.1047 CCCCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_200012276598 [0,1,0,1,0,0|2,0,0]=4 9322 B14R1.1047 CCCCCC(=O)CN1CCC[C@H]1C 34a_100015189458_200012276598 [0,1,0,1,0,0|2,0,0]=4 9323 B14R1.1047 CCCCCC(=O)CN1CCSC1C 2230a_200011216479_200012276598 [0,1,0,1,0,0|2,0,0]=4 9324 B14R1.1047 CCCCCC(=O)CN1CCSC1C 269982a_200011216479_200012276598 [0,1,0,1,0,0|2,0,0]=4 9325 B14R1.1047 CCCCCC(=O)CN1CCSC1C 34a_200011216479_200012276598 [0,1,0,1,0,0|2,0,0]=4 9326 B14R1.1047 CCCCCC(=O)NC1CCSC1=O 11a_100000184058_100000212188 [0,1,0,1,0,0|1,0,1]=4 9327 B14R1.1047 CCCCCC(=O)NC1CCSC1=O 1626a_100000184058_100000212188 [0,1,0,1,0,0|1,0,1]=4 9328 B14R1.1047 CCCCCC(=O)NC1CCSC1=O 240690a_100000184058_100000212188 [0,1,0,1,0,0|1,0,1]=4 9329 B14R1.1047 CCCCCC(=O)NC1CCSC1=O 527a_100000184058_100000212188 [0,1,0,1,0,0|1,0,1]=4 9330 B14R1.1047 CCCCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000212188 [0,1,0,1,0,0|2,0,0]=4 9331 B14R1.1047 CCCCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000212188 [0,1,0,1,0,0|2,0,0]=4 9332 B14R1.1047 CCCCCC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100000212188 [0,1,0,1,0,0|1,1,0]=4 9333 B14R1.1047 CCCCCC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100000212188 [0,1,0,1,0,0|1,1,0]=4 9334 B14R1.1047 CCCCCC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100000212188 [0,1,0,1,0,0|1,1,0]=4 9335 B14R1.1423 CCCCCC(=O)NCC(O)C1CC1 11a_100000751198_100000212188 [0,1,0,1,0,0|2,0,0]=4 9336 B14R1.1423 CCCCCC(=O)NCC(O)C1CC1 240690a_100000751198_100000212188 [0,1,0,1,0,0|2,0,0]=4 9337 B14R1.1423 CCCCCC(=O)NCC(O)C1CC1 527a_100000751198_100000212188 [0,1,0,1,0,0|2,0,0]=4 9338 B14R1.3006 CCCCCC(=O)C1CC(C1)COC 1458a_100000138301_100000210326 [0,1,0,1,0,0|1,1,0]=4 9339 B14R1.3006 CCCCCC(=O)N1CC(C1)COC 11a_100016993750_100000212188 [0,1,0,1,0,0|1,1,0]=4 9340 B14R1.3006 CCCCCC(=O)N1CC(C1)COC 240690a_100016993750_100000212188 [0,1,0,1,0,0|1,1,0]=4 9341 B14R1.3006 CCCCCC(=O)N1CC(C1)COC 527a_100016993750_100000212188 [0,1,0,1,0,0|1,1,0]=4 9342 B14R1.3013 CCCCCC(=O)COC1(CSC1)C 7a_100016018533_200012276598 [0,1,0,1,0,0|2,0,0]=4 9343 B14R1.3013 CCCCCC(=O)NCC1(CCC1)C 11a_100000706607_100000212188 [0,1,0,1,0,0|2,0,0]=4 9344 B14R1.3013 CCCCCC(=O)NCC1(CCC1)C 1626a_100000706607_100000212188 [0,1,0,1,0,0|2,0,0]=4 9345 B14R1.3013 CCCCCC(=O)NCC1(CCC1)C 240690a_100000706607_100000212188 [0,1,0,1,0,0|2,0,0]=4 9346 B14R1.3013 CCCCCC(=O)NCC1(CCC1)C 527a_100000706607_100000212188 [0,1,0,1,0,0|2,0,0]=4 9347 B14R1.3013 CCCCCC(=O)NCC1(CCC1)O 11a_100000752638_100000212188 [0,1,0,1,0,0|2,0,0]=4 9348 B14R1.3013 CCCCCC(=O)NCC1(CCC1)O 1626a_100000752638_100000212188 [0,1,0,1,0,0|2,0,0]=4 9349 B14R1.3013 CCCCCC(=O)NCC1(CCC1)O 240690a_100000752638_100000212188 [0,1,0,1,0,0|2,0,0]=4 9350 B14R1.3013 CCCCCC(=O)NCC1(CCC1)O 527a_100000752638_100000212188 [0,1,0,1,0,0|2,0,0]=4 9351 B14R1.3013 CCCCCC(=O)NCC1(COC1)C 1626a_100020631278_100000212188 [0,1,0,1,0,0|1,1,0]=4 9352 B14R1.3013 CCCCCC(=O)NCC1(COC1)C 527a_100020631278_100000212188 [0,1,0,1,0,0|1,1,0]=4 9353 B14R1.3013 CCCCCC(=O)NCC1(COC1)O 11a_100010264505_100000212188 [0,1,0,1,0,0|1,1,0]=4 9354 B14R1.3013 CCCCCC(=O)NCC1(COC1)O 240690a_100010264505_100000212188 [0,1,0,1,0,0|1,1,0]=4 9355 B14R1.3013 CCCCCC(=O)NCC1(COC1)O 527a_100010264505_100000212188 [0,1,0,1,0,0|1,1,0]=4 9356 B14R1.3013 CCCCCC(C)OCC1(CSC1)C 34a_100000732658_200011218191 [0,1,0,1,0,0|1,0,1]=4 9357 B14R1.3013 CCCCCC(C)OCC1(CSC1)C 7a_100000732658_200011218191 [0,1,0,1,0,0|1,0,1]=4 9358 B14R1.3707 CCC1CC1C(=O)NCC(O)COC 240690a_100000756049_200011661523 [0,1,0,1,0,0|1,1,0]=4 9359 B14R1.3707 CCC1CC1C(=O)NCC(O)COC 527a_100000756049_200011661523 [0,1,0,1,0,0|1,1,0]=4 9360 B14R1.3709 COCC(O)CNC(=O)CC1CCC1 240690a_100000756049_100000763092 [0,1,0,1,0,0|1,1,0]=4 9361 B14R1.3709 COCC(O)CNC(=O)CC1CCC1 527a_100000756049_100000763092 [0,1,0,1,0,0|1,1,0]=4 9362 B14R1.3710 COCC(O)CNC(=O)CCC1CC1 240690a_100000756049_100000756386 [0,1,0,1,0,0|1,1,0]=4 9363 B14R1.3710 COCC(O)CNC(=O)CCC1CC1 527a_100000756049_100000756386 [0,1,0,1,0,0|1,1,0]=4 9364 B14R1.19 CCCCCC(=O)C1CCC(CC1)C 1458a_100000212188_200011216234 [0,1,0,1,0,0|2,0,0]=4 9365 B14R1.19 CCCCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210326 [0,1,0,1,0,0|2,0,0]=4 9366 B14R1.19 CCCCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000212188 [0,1,0,1,0,0|2,0,0]=4 9367 B14R1.19 CCCCCC(=O)N1CCC(CC1)C 527a_100000188429_100000212188 [0,1,0,1,0,0|2,0,0]=4 9368 B14R1.19 CCCCCC(=O)N1CCC(CC1)F 11a_100015193889_100000212188 [0,1,0,1,0,0|2,0,0]=4 9369 B14R1.19 CCCCCC(=O)N1CCC(CC1)F 1626a_100015193889_100000212188 [0,1,0,1,0,0|2,0,0]=4 9370 B14R1.19 CCCCCC(=O)N1CCC(CC1)F 240690a_100015193889_100000212188 [0,1,0,1,0,0|2,0,0]=4 9371 B14R1.19 CCCCCC(=O)N1CCC(CC1)F 527a_100015193889_100000212188 [0,1,0,1,0,0|2,0,0]=4 9372 B14R1.19 CCCCCC(=O)N1CCC(CC1)O 240690a_100025773856_100000212188 [0,1,0,1,0,0|2,0,0]=4 9373 B14R1.19 CCCCCC(=O)N1CCC(CC1)O 527a_100025773856_100000212188 [0,1,0,1,0,0|2,0,0]=4 9374 B14R1.19 CCCCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210326 [0,1,0,1,0,0|2,0,0]=4 9375 B14R1.729 CCC(C)CCNC(=O)C1CCCC1 11a_100020591266_100000210718 [0,1,0,1,0,0|2,0,0]=4 9376 B14R1.729 CCC(C)CCNC(=O)C1CCCC1 1626a_100020591266_100000210718 [0,1,0,1,0,0|2,0,0]=4 9377 B14R1.729 CCC(C)CCNC(=O)C1CCCC1 240690a_100020591266_100000210718 [0,1,0,1,0,0|2,0,0]=4 9378 B14R1.729 CCC(C)CCNC(=O)C1CCCC1 527a_100020591266_100000210718 [0,1,0,1,0,0|2,0,0]=4 9379 B14R1.1040 CCCCCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000212188 [0,1,0,1,0,0|1,1,0]=4 9380 B14R1.1040 CCCCCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000212188 [0,1,0,1,0,0|1,1,0]=4 9381 B14R1.1040 CCCCCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000212188 [0,1,0,1,0,0|1,1,0]=4 9382 B14R1.1040 CCCCCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000212188 [0,1,0,1,0,0|1,1,0]=4 9383 B14R1.1044 CCCCCC(=O)CNCC1CCC1 2230a_100000738700_200012276598 [0,1,0,1,0,0|2,0,0]=4 9384 B14R1.1044 CCCCCC(=O)CNCC1CCC1 34a_100000738700_200012276598 [0,1,0,1,0,0|2,0,0]=4 9385 B14R1.1044 CCCCCC(=O)CNCC1COC1 2230a_100015281925_200012276598 [0,1,0,1,0,0|1,1,0]=4 9386 B14R1.1044 CCCCCC(=O)CNCC1COC1 34a_100015281925_200012276598 [0,1,0,1,0,0|1,1,0]=4 9387 B14R1.1044 CCCCCC(=O)COCC1CCC1 34a_100000760304_200012276598 [0,1,0,1,0,0|1,0,0]=3 9388 B14R1.1044 CCCCCC(=O)COCC1CCO1 34a_100000039022_200012276598 [0,1,0,1,0,0|2,0,0]=4 9389 B14R1.1044 CCCCCC(=O)COCC1CNC1 34a_100016987283_200012276598 [0,1,0,1,0,0|1,0,0]=3 9390 B14R1.1044 CCCCCC(=O)COCC1COC1 34a_100000060846_200012276598 [0,1,0,1,0,0|0,1,0]=3 9391 B14R1.1044 CCCCCC(=O)CSCC1CCC1 62a_100000763275_200012276598 [0,1,0,1,0,0|1,1,0]=4 9392 B14R1.1044 CCCCCC(=O)CSCC1CCC1 62a_200012276598_100000763275 [0,1,0,1,0,0|1,1,0]=4 9393 B14R1.1044 CCCCCC(=O)CSCC1COC1 62a_100010264016_200012276598 [0,1,0,1,0,0|0,2,0]=4 9394 B14R1.1044 CCCCCC(=O)CSCC1COC1 62a_200012276598_100010264016 [0,1,0,1,0,0|0,2,0]=4 9395 B14R1.1044 CCCCCC(=O)NCCN1CCC1 240690a_100000691440_100000212188 [0,1,0,1,0,0|2,0,0]=4 9396 B14R1.1044 CCCCCC(=O)NNCC1CCC1 22a_200020586977_100000212188 [0,1,0,1,0,0|2,0,0]=4 9397 B14R1.1044 CCCCNC(=O)COCC1CCC1 34a_100000760304_100000182744 [0,1,0,1,0,0|2,0,0]=4 9398 B14R1.1044 CCCCNC(=O)COCC1CNC1 34a_100016987283_100000182744 [0,1,0,1,0,0|2,0,0]=4 9399 B14R1.1044 CCCCNC(=O)COCC1COC1 34a_100000060846_100000182744 [0,1,0,1,0,0|1,1,0]=4 9400 B14R1.1044 CCCCOC(=O)COCC1CCC1 34a_100000760304_100000211628 [0,1,0,1,0,0|2,0,0]=4 9401 B14R1.1044 CCCCOC(=O)COCC1CNC1 34a_100016987283_100000211628 [0,1,0,1,0,0|2,0,0]=4 9402 B14R1.1044 CCCCOC(=O)COCC1COC1 34a_100000060846_100000211628 [0,1,0,1,0,0|1,1,0]=4 9403 B14R1.2044 CCC(C)CCNC(=O)C1CC1CC 11a_100020591266_200011661523 [0,1,0,1,0,0|2,0,0]=4 9404 B14R1.2044 CCC(C)CCNC(=O)C1CC1CC 1626a_100020591266_200011661523 [0,1,0,1,0,0|2,0,0]=4 9405 B14R1.2044 CCC(C)CCNC(=O)C1CC1CC 240690a_100020591266_200011661523 [0,1,0,1,0,0|2,0,0]=4 9406 B14R1.2044 CCC(C)CCNC(=O)C1CC1CC 527a_100020591266_200011661523 [0,1,0,1,0,0|2,0,0]=4 9407 B14R1.3067 CCCCCC(=O)CN1CC(C1)SC 269982a_100016990038_200012276598 [0,1,0,1,0,0|2,0,0]=4 9408 B14R1.3067 CCCCCC(=O)N[C@H]1C[C@@H](C1)OC 11a_100121570643_100000212188 [0,1,0,1,0,0|1,1,0]=4 9409 B14R1.3067 CCCCCC(=O)N[C@H]1C[C@@H](C1)OC 1626a_100121570643_100000212188 [0,1,0,1,0,0|1,1,0]=4 9410 B14R1.3067 CCCCCC(=O)N[C@H]1C[C@@H](C1)OC 240690a_100121570643_100000212188 [0,1,0,1,0,0|1,1,0]=4 9411 B14R1.3067 CCCCCC(=O)N[C@H]1C[C@@H](C1)OC 527a_100121570643_100000212188 [0,1,0,1,0,0|1,1,0]=4 9412 B14R1.7737 CCC(C)CCNC(=O)CC1CCC1 11a_100020591266_100000763092 [0,1,0,1,0,0|2,0,0]=4 9413 B14R1.7737 CCC(C)CCNC(=O)CC1CCC1 1626a_100020591266_100000763092 [0,1,0,1,0,0|2,0,0]=4 9414 B14R1.7737 CCC(C)CCNC(=O)CC1CCC1 240690a_100020591266_100000763092 [0,1,0,1,0,0|2,0,0]=4 9415 B14R1.7737 CCC(C)CCNC(=O)CC1CCC1 527a_100020591266_100000763092 [0,1,0,1,0,0|2,0,0]=4 9416 B14R1.7738 CCC(C)CCNC(=O)CCC1CC1 11a_100020591266_100000756386 [0,1,0,1,0,0|2,0,0]=4 9417 B14R1.7738 CCC(C)CCNC(=O)CCC1CC1 1626a_100020591266_100000756386 [0,1,0,1,0,0|2,0,0]=4 9418 B14R1.7738 CCC(C)CCNC(=O)CCC1CC1 240690a_100020591266_100000756386 [0,1,0,1,0,0|2,0,0]=4 9419 B14R1.7738 CCC(C)CCNC(=O)CCC1CC1 527a_100020591266_100000756386 [0,1,0,1,0,0|2,0,0]=4 9420 B14R1.137 CCCCC(C)NC(=O)C1CCCC1 11a_100000126638_100000210718 [0,1,0,1,0,0|2,0,0]=4 9421 B14R1.137 CCCCC(C)NC(=O)C1CCCC1 1626a_100000126638_100000210718 [0,1,0,1,0,0|2,0,0]=4 9422 B14R1.137 CCCCC(C)NC(=O)C1CCCC1 240690a_100000126638_100000210718 [0,1,0,1,0,0|2,0,0]=4 9423 B14R1.137 CCCCC(C)NC(=O)C1CCCC1 527a_100000126638_100000210718 [0,1,0,1,0,0|2,0,0]=4 9424 B14R1.158 CCCCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210326 [0,1,0,1,0,0|2,0,0]=4 9425 B14R1.158 CCCCCC(=O)CC1CCCCC1 1458a_100000211666_100000210326 [0,1,0,1,0,0|2,0,0]=4 9426 B14R1.158 CCCCCC(=O)CC1CCCCC1 1458a_100000212188_100000211423 [0,1,0,1,0,0|2,0,0]=4 9427 B14R1.158 CCCCCC(=O)CC1CCCCO1 1458a_100000212188_100000211543 [0,1,0,1,0,0|2,0,0]=4 9428 B14R1.158 CCCCCC(=O)CC1CCCCO1 1458a_100000238585_100000210326 [0,1,0,1,0,0|2,0,0]=4 9429 B14R1.158 CCCCCC(=O)CC1CCCOC1 1458a_100000212188_100000741521 [0,1,0,1,0,0|1,1,0]=4 9430 B14R1.158 CCCCCC(=O)CC1CCCOC1 1458a_100000741523_100000210326 [0,1,0,1,0,0|1,1,0]=4 9431 B14R1.158 CCCCCC(=O)CC1CCOCC1 1458a_100000212188_100000754603 [0,1,0,1,0,0|1,1,0]=4 9432 B14R1.158 CCCCCC(=O)CC1CCOCC1 1458a_100000757261_100000210326 [0,1,0,1,0,0|1,1,0]=4 9433 B14R1.158 CCCCCC(=O)CN1CCCCC1 1458a_100000740322_100000210326 [0,1,0,1,0,0|2,0,0]=4 9434 B14R1.158 CCCCCC(=O)CN1CCCOC1 2230a_100000131196_200012276598 [0,1,0,1,0,0|1,1,0]=4 9435 B14R1.158 CCCCCC(=O)CN1CCCOC1 269982a_100000131196_200012276598 [0,1,0,1,0,0|1,1,0]=4 9436 B14R1.158 CCCCCC(=O)CN1CCCOC1 34a_100000131196_200012276598 [0,1,0,1,0,0|1,1,0]=4 9437 B14R1.158 CCCCCC(=O)CN1CCSCC1 2230a_100000737611_200012276598 [0,1,0,1,0,0|2,0,0]=4 9438 B14R1.158 CCCCCC(=O)CN1CCSCC1 269982a_100000737611_200012276598 [0,1,0,1,0,0|2,0,0]=4 9439 B14R1.158 CCCCCC(=O)NC1CCCCC1 11a_100000182618_100000212188 [0,1,0,1,0,0|2,0,0]=4 9440 B14R1.158 CCCCCC(=O)NC1CCCCC1 1626a_100000182618_100000212188 [0,1,0,1,0,0|2,0,0]=4 9441 B14R1.158 CCCCCC(=O)NC1CCCCC1 240690a_100000182618_100000212188 [0,1,0,1,0,0|2,0,0]=4 9442 B14R1.158 CCCCCC(=O)NC1CCCCC1 527a_100000182618_100000212188 [0,1,0,1,0,0|2,0,0]=4 9443 B14R1.158 CCCCCC(=O)NC1CCCOC1 11a_100000719290_100000212188 [0,1,0,1,0,0|1,1,0]=4 9444 B14R1.158 CCCCCC(=O)NC1CCCOC1 1626a_100000719290_100000212188 [0,1,0,1,0,0|1,1,0]=4 9445 B14R1.158 CCCCCC(=O)NC1CCCOC1 240690a_100000719290_100000212188 [0,1,0,1,0,0|1,1,0]=4 9446 B14R1.158 CCCCCC(=O)NC1CCCOC1 527a_100000719290_100000212188 [0,1,0,1,0,0|1,1,0]=4 9447 B14R1.158 CCCCCC(=O)NC1CCOCC1 11a_100000741149_100000212188 [0,1,0,1,0,0|1,1,0]=4 9448 B14R1.158 CCCCCC(=O)NC1CCOCC1 1626a_100000741149_100000212188 [0,1,0,1,0,0|1,1,0]=4 9449 B14R1.158 CCCCCC(=O)NC1CCOCC1 240690a_100000741149_100000212188 [0,1,0,1,0,0|1,1,0]=4 9450 B14R1.158 CCCCCC(=O)NC1CCOCC1 527a_100000741149_100000212188 [0,1,0,1,0,0|1,1,0]=4 9451 B14R1.158 CCCCCC(=O)NC1CCSCC1 11a_100000748639_100000212188 [0,1,0,1,0,0|1,0,0]=3 9452 B14R1.158 CCCCCC(=O)NC1CCSCC1 1626a_100000748639_100000212188 [0,1,0,1,0,0|1,0,0]=3 9453 B14R1.158 CCCCCC(=O)NC1CCSCC1 240690a_100000748639_100000212188 [0,1,0,1,0,0|1,0,0]=3 9454 B14R1.158 CCCCCC(=O)NC1CCSCC1 527a_100000748639_100000212188 [0,1,0,1,0,0|1,0,0]=3 9455 B14R1.158 CCCCCC(C)OC1CCCSC1 7a_100015962668_200011218191 [0,1,0,1,0,0|1,0,1]=4 9456 B14R1.158 CCCCCC(C)OC1CCSCC1 34a_100000731022_200011218191 [0,1,0,1,0,0|1,0,1]=4 9457 B14R1.158 CCCCCC(C)OC1CCSCC1 34a_100011215632_100000069128 [0,1,0,1,0,0|1,0,1]=4 9458 B14R1.158 CCCCCC(C)OC1CCSCC1 7a_100000731022_200011218191 [0,1,0,1,0,0|1,0,1]=4 9459 B14R1.158 CCCCCC(C)OC1CCSCC1 7a_100011215632_100011500858 [0,1,0,1,0,0|1,0,1]=4 9460 B14R1.158 CCCCNC(=O)NC1CCSCC1 2708a_100000102301_100000748639 [0,1,0,1,0,0|2,0,0]=4 9461 B14R1.158 CCCCNC(=O)NC1CCSCC1 2708a_100000748639_100000102301 [0,1,0,1,0,0|2,0,0]=4 9462 B14R1.158 CCCCNC(=O)NC1CCSCC1 273464a_100000102301_100000748639 [0,1,0,1,0,0|2,0,0]=4 9463 B14R1.158 CCCCNC(=O)NC1CCSCC1 273464a_100000748639_100000102301 [0,1,0,1,0,0|2,0,0]=4 9464 B14R1.158 CCCCNC(=O)NC1CCSCC1 512a_100000102301_100000748639 [0,1,0,1,0,0|2,0,0]=4 9465 B14R1.158 CCCCNC(=O)NC1CCSCC1 512a_100000748639_100000102301 [0,1,0,1,0,0|2,0,0]=4 9466 B14R1.158 CCCOCC(=O)NC1CCSCC1 11a_100000748639_100000745993 [0,1,0,1,0,0|2,0,0]=4 9467 B14R1.158 CCCOCC(=O)NC1CCSCC1 1626a_100000748639_100000745993 [0,1,0,1,0,0|2,0,0]=4 9468 B14R1.158 CCCOCC(=O)NC1CCSCC1 240690a_100000748639_100000745993 [0,1,0,1,0,0|2,0,0]=4 9469 B14R1.158 CCCOCC(=O)NC1CCSCC1 527a_100000748639_100000745993 [0,1,0,1,0,0|2,0,0]=4 9470 B14R1.158 CCCOCC(=O)OC1CCCCC1 34a_100000210258_100000041653 [0,1,0,1,0,0|2,0,0]=4 9471 B14R1.158 CCCSCC(=O)NC1CCSCC1 11a_100000748639_100000217233 [0,1,0,1,0,0|2,0,0]=4 9472 B14R1.158 CCCSCC(=O)NC1CCSCC1 1626a_100000748639_100000217233 [0,1,0,1,0,0|2,0,0]=4 9473 B14R1.158 CCCSCC(=O)NC1CCSCC1 240690a_100000748639_100000217233 [0,1,0,1,0,0|2,0,0]=4 9474 B14R1.158 CCCSCC(=O)NC1CCSCC1 527a_100000748639_100000217233 [0,1,0,1,0,0|2,0,0]=4 9475 B14R1.158 CCCSCC(=O)OC1CCCCC1 62a_100000041653_100000210303 [0,1,0,1,0,0|2,0,0]=4 9476 B14R1.158 CCCSCC(=O)OC1CCCCC1 62a_100000210303_100000041653 [0,1,0,1,0,0|2,0,0]=4 9477 B14R1.158 CCOCCC(=O)NC1CCSCC1 11a_100000748639_100000749530 [0,1,0,1,0,0|2,0,0]=4 9478 B14R1.158 CCOCCC(=O)NC1CCSCC1 1626a_100000748639_100000749530 [0,1,0,1,0,0|2,0,0]=4 9479 B14R1.158 CCOCCC(=O)NC1CCSCC1 240690a_100000748639_100000749530 [0,1,0,1,0,0|2,0,0]=4 9480 B14R1.158 CCOCCC(=O)NC1CCSCC1 527a_100000748639_100000749530 [0,1,0,1,0,0|2,0,0]=4 9481 B14R1.158 CCSCCC(=O)NC1CCSCC1 11a_100000748639_100000230768 [0,1,0,1,0,0|2,0,0]=4 9482 B14R1.158 CCSCCC(=O)NC1CCSCC1 1626a_100000748639_100000230768 [0,1,0,1,0,0|2,0,0]=4 9483 B14R1.158 CCSCCC(=O)NC1CCSCC1 240690a_100000748639_100000230768 [0,1,0,1,0,0|2,0,0]=4 9484 B14R1.158 CCSCCC(=O)NC1CCSCC1 527a_100000748639_100000230768 [0,1,0,1,0,0|2,0,0]=4 9485 B14R1.158 COCCCC(=O)NC1CCSCC1 11a_100000748639_100000741012 [0,1,0,1,0,0|2,0,0]=4 9486 B14R1.158 COCCCC(=O)NC1CCSCC1 1626a_100000748639_100000741012 [0,1,0,1,0,0|2,0,0]=4 9487 B14R1.158 COCCCC(=O)NC1CCSCC1 240690a_100000748639_100000741012 [0,1,0,1,0,0|2,0,0]=4 9488 B14R1.158 COCCCC(=O)NC1CCSCC1 527a_100000748639_100000741012 [0,1,0,1,0,0|2,0,0]=4 9489 B14R1.158 CSCCCC(=O)NC1CCSCC1 11a_100000748639_100000173376 [0,1,0,1,0,0|2,0,0]=4 9490 B14R1.158 CSCCCC(=O)NC1CCSCC1 1626a_100000748639_100000173376 [0,1,0,1,0,0|2,0,0]=4 9491 B14R1.158 CSCCCC(=O)NC1CCSCC1 240690a_100000748639_100000173376 [0,1,0,1,0,0|2,0,0]=4 9492 B14R1.158 CSCCCC(=O)NC1CCSCC1 527a_100000748639_100000173376 [0,1,0,1,0,0|2,0,0]=4 9493 B14R1.158 O=C(CCCCO)NC1CCSCC1 1626a_100000748639_100000695505 [0,1,0,1,0,0|2,0,0]=4 9494 B14R1.887 CCCCCc1noc(n1)CCSC 270196a_200011207956_100000174002 [0,1,0,1,0,0|1,0,1]=4 9495 B14R1.938 CSCCC(=O)C1CCCCCC1=O 1458a_100000174002_100000243696 [0,1,0,1,0,0|1,0,1]=4 9496 B14R1.938 CSCCN(C)C1CCCCCC1=O 269982a_100000686725_100000243696 [0,1,0,1,0,0|2,0,0]=4 9497 B14R1.1035 CCCCCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210326 [0,1,0,1,0,0|2,0,0]=4 9498 B14R1.1035 CCCCCC(=O)C1CCCCC1C 1458a_100011215568_100000210326 [0,1,0,1,0,0|2,0,0]=4 9499 B14R1.1035 CCCCCC(=O)C1CCCCC1O 1458a_100011803323_100000210326 [0,1,0,1,0,0|2,0,0]=4 9500 B14R1.1035 CCCCCC(=O)N1CCCCC1C 11a_100000211376_100000212188 [0,1,0,1,0,0|2,0,0]=4 9501 B14R1.1035 CCCCCC(=O)N1CCCCC1C 1626a_100000211376_100000212188 [0,1,0,1,0,0|2,0,0]=4 9502 B14R1.1035 CCCCCC(=O)N1CCCCC1C 240690a_100000211376_100000212188 [0,1,0,1,0,0|2,0,0]=4 9503 B14R1.1035 CCCCCC(=O)N1CCCCC1C 527a_100000211376_100000212188 [0,1,0,1,0,0|2,0,0]=4 9504 B14R1.1035 CCCCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000212188 [0,1,0,1,0,0|2,0,0]=4 9505 B14R1.1035 CCCCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000212188 [0,1,0,1,0,0|2,0,0]=4 9506 B14R1.1035 CCCCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000212188 [0,1,0,1,0,0|2,0,0]=4 9507 B14R1.1035 CCCCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210326 [0,1,0,1,0,0|2,0,0]=4 9508 B14R1.3032 CCCCCC(=O)N1C(CCC1C)C 11a_100000687148_100000212188 [0,1,0,1,0,0|2,0,0]=4 9509 B14R1.3032 CCCCCC(=O)N1C(CCC1C)C 240690a_100000687148_100000212188 [0,1,0,1,0,0|2,0,0]=4 9510 B14R1.3032 CCCCCC(=O)N1C(CCC1C)C 527a_100000687148_100000212188 [0,1,0,1,0,0|2,0,0]=4 9511 B14R1.3064 CCCCCC(=O)NC1(CCOC1)C 11a_100000693475_100000212188 [0,1,0,1,0,0|1,1,0]=4 9512 B14R1.3064 CCCCCC(=O)NC1(CCOC1)C 1626a_100000693475_100000212188 [0,1,0,1,0,0|1,1,0]=4 9513 B14R1.3064 CCCCCC(=O)NC1(CCOC1)C 240690a_100000693475_100000212188 [0,1,0,1,0,0|1,1,0]=4 9514 B14R1.3064 CCCCCC(=O)NC1(CCOC1)C 527a_100000693475_100000212188 [0,1,0,1,0,0|1,1,0]=4 9515 B14R1.3444 CCCCCC(=O)NC(C)C1CCC1 11a_100016994624_100000212188 [0,1,0,1,0,0|2,0,0]=4 9516 B14R1.3444 CCCCCC(=O)NC(C)C1CCC1 1626a_100016994624_100000212188 [0,1,0,1,0,0|2,0,0]=4 9517 B14R1.3444 CCCCCC(=O)NC(C)C1CCC1 240690a_100016994624_100000212188 [0,1,0,1,0,0|2,0,0]=4 9518 B14R1.3444 CCCCCC(=O)NC(C)C1CCC1 527a_100016994624_100000212188 [0,1,0,1,0,0|2,0,0]=4 9519 B14R1.4286 CCCCC(C)NC(=O)C1CC1CC 11a_100000126638_200011661523 [0,1,0,1,0,0|2,0,0]=4 9520 B14R1.4286 CCCCC(C)NC(=O)C1CC1CC 1626a_100000126638_200011661523 [0,1,0,1,0,0|2,0,0]=4 9521 B14R1.4286 CCCCC(C)NC(=O)C1CC1CC 240690a_100000126638_200011661523 [0,1,0,1,0,0|2,0,0]=4 9522 B14R1.4286 CCCCC(C)NC(=O)C1CC1CC 527a_100000126638_200011661523 [0,1,0,1,0,0|2,0,0]=4 9523 B14R1.4288 CCCCC(C)NC(=O)CC1CCC1 11a_100000126638_100000763092 [0,1,0,1,0,0|2,0,0]=4 9524 B14R1.4288 CCCCC(C)NC(=O)CC1CCC1 1626a_100000126638_100000763092 [0,1,0,1,0,0|2,0,0]=4 9525 B14R1.4288 CCCCC(C)NC(=O)CC1CCC1 240690a_100000126638_100000763092 [0,1,0,1,0,0|2,0,0]=4 9526 B14R1.4288 CCCCC(C)NC(=O)CC1CCC1 527a_100000126638_100000763092 [0,1,0,1,0,0|2,0,0]=4 9527 B14R1.4289 CCCCC(C)NC(=O)CCC1CC1 11a_100000126638_100000756386 [0,1,0,1,0,0|2,0,0]=4 9528 B14R1.4289 CCCCC(C)NC(=O)CCC1CC1 1626a_100000126638_100000756386 [0,1,0,1,0,0|2,0,0]=4 9529 B14R1.4289 CCCCC(C)NC(=O)CCC1CC1 240690a_100000126638_100000756386 [0,1,0,1,0,0|2,0,0]=4 9530 B14R1.4289 CCCCC(C)NC(=O)CCC1CC1 527a_100000126638_100000756386 [0,1,0,1,0,0|2,0,0]=4 9531 B14R1.138 C#CCCCOC1CCCCCC1=O 7a_100000215630_100000243696 [0,1,0,1,0,0|1,0,1]=4 9532 B14R1.138 C=CCCCOC1CCCCCC1=O 7a_100000758997_100000243696 [0,1,0,1,0,0|1,0,1]=4 9533 B14R1.138 CCCCCOC1CCCCCC1=O 7a_100000210253_100000243696 [0,1,0,1,0,0|1,0,0]=3 9534 B14R1.138 CCCCCOC1CCCCNC1=O 7a_100000210253_100000735217 [0,1,0,1,0,0|2,0,0]=4 9535 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000210326_100000243696 [0,1,0,1,0,0|1,1,0]=4 9536 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000243696_100000210326 [0,1,0,1,0,0|1,1,0]=4 9537 B14R1.138 CCNCCCN1CCCCCC1=O 2230a_100000195386_100000210202 [0,1,0,1,0,0|2,0,0]=4 9538 B14R1.138 CCNCCCN1CCCCCC1=O 34a_100000195386_100000210202 [0,1,0,1,0,0|2,0,0]=4 9539 B14R1.138 CCOCCOC1CCCCCC1=O 7a_100000210136_100000243696 [0,1,0,1,0,0|2,0,0]=4 9540 B14R1.138 CCSCCOC1CCCCCC1=O 7a_100000212035_100000243696 [0,1,0,1,0,0|2,0,0]=4 9541 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000243696_100000757381 [0,1,0,1,0,0|2,0,0]=4 9542 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000757381_100000243696 [0,1,0,1,0,0|2,0,0]=4 9543 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000243696_100000709357 [0,1,0,1,0,0|0,2,0]=4 9544 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000709357_100000243696 [0,1,0,1,0,0|0,2,0]=4 9545 B14R1.138 CSCCCNC1CCCCNC1=O 2230a_100000749238_100000735217 [0,1,0,1,0,0|2,0,0]=4 9546 B14R1.138 CSCCCOC1CCCCCC1=O 7a_100000690336_100000243696 [0,1,0,1,0,0|0,0,0]=2 9547 B14R1.138 CSCCCOC1CCCCNC1=O 7a_100000690336_100000735217 [0,1,0,1,0,0|1,0,0]=3 9548 B14R1.138 O=C1CCCCCC1OCCCCCl 7a_100000210776_100000243696 [0,1,0,1,0,0|2,0,0]=4 9549 B14R1.138 O=C1CCCCCC1OCCCCF 7a_100011995726_100000243696 [0,1,0,1,0,0|2,0,0]=4 9550 B14R1.138 O=C1CCCCCN1CCCNCF 34a_100000195386_100015361967 [0,1,0,1,0,0|2,0,0]=4 9551 B14R1.29 CCCC(C)CC(=O)C1CCCCC1 1458a_100000210647_100011216630 [0,1,0,1,0,0|2,0,0]=4 9552 B14R1.29 CCCC(C)CC(=O)C1CCCCC1 1458a_100000748435_100000210327 [0,1,0,1,0,0|2,0,0]=4 9553 B14R1.29 CCCC(C)CC(=O)C1CCCOC1 1458a_100000741522_100011216630 [0,1,0,1,0,0|1,1,0]=4 9554 B14R1.29 CCCC(C)CC(=O)C1CCCOC1 1458a_100000748435_100000693364 [0,1,0,1,0,0|1,1,0]=4 9555 B14R1.29 CCCC(C)CC(=O)N1CCCOC1 11a_100000131196_100000748435 [0,1,0,1,0,0|1,1,0]=4 9556 B14R1.29 CCCC(C)CC(=O)N1CCCOC1 240690a_100000131196_100000748435 [0,1,0,1,0,0|1,1,0]=4 9557 B14R1.621 CCCC(C)CC(=O)CC1CCCC1 1458a_100000210891_100011216630 [0,1,0,1,0,0|2,0,0]=4 9558 B14R1.621 CCCC(C)CC(=O)CC1CCCC1 1458a_100000748435_100000740388 [0,1,0,1,0,0|2,0,0]=4 9559 B14R1.621 CCCC(C)CC(=O)CC1CCOC1 1458a_100000748435_100000702531 [0,1,0,1,0,0|1,1,0]=4 9560 B14R1.621 CCCC(C)CC(=O)CC1CCOC1 1458a_100011218419_100011216630 [0,1,0,1,0,0|1,1,0]=4 9561 B14R1.621 CCCC(C)CC(=O)NC1CCCC1 11a_100000211070_100000748435 [0,1,0,1,0,0|2,0,0]=4 9562 B14R1.621 CCCC(C)CC(=O)NC1CCCC1 1626a_100000211070_100000748435 [0,1,0,1,0,0|2,0,0]=4 9563 B14R1.621 CCCC(C)CC(=O)NC1CCCC1 240690a_100000211070_100000748435 [0,1,0,1,0,0|2,0,0]=4 9564 B14R1.621 CCCC(C)CC(=O)NC1CCCC1 527a_100000211070_100000748435 [0,1,0,1,0,0|2,0,0]=4 9565 B14R1.621 CCCC(C)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000748435 [0,1,0,1,0,0|1,1,0]=4 9566 B14R1.621 CCCC(C)CC(=O)N[C@@H]1CCOC1 527a_200015188469_100000748435 [0,1,0,1,0,0|1,1,0]=4 9567 B14R1.621 CCCC(C)CC(=O)N[C@H]1CCOC1 11a_100015188467_100000748435 [0,1,0,1,0,0|1,1,0]=4 9568 B14R1.621 CCCC(C)CC(=O)N[C@H]1CCOC1 1626a_100015188467_100000748435 [0,1,0,1,0,0|1,1,0]=4 9569 B14R1.621 CCCC(C)CC(=O)N[C@H]1CCOC1 240690a_100015188467_100000748435 [0,1,0,1,0,0|1,1,0]=4 9570 B14R1.621 CCCC(C)CC(=O)N[C@H]1CCOC1 527a_100015188467_100000748435 [0,1,0,1,0,0|1,1,0]=4 9571 B14R1.3242 CCCC(C)CC(=O)C1CCCC1C 1458a_100000690547_100011216630 [0,1,0,1,0,0|2,0,0]=4 9572 B14R1.3242 CCCC(C)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000748435 [0,1,0,1,0,0|2,0,0]=4 9573 B14R1.3242 CCCC(C)CC(=O)N1CCC[C@@H]1C 527a_100020605311_100000748435 [0,1,0,1,0,0|2,0,0]=4 9574 B14R1.3242 CCCC(C)CC(=O)N1CCC[C@H]1C 11a_100015189458_100000748435 [0,1,0,1,0,0|2,0,0]=4 9575 B14R1.3242 CCCC(C)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000748435 [0,1,0,1,0,0|2,0,0]=4 9576 B14R1.3242 CCCC(C)CC(=O)N1CCC[C@H]1C 527a_100015189458_100000748435 [0,1,0,1,0,0|2,0,0]=4 9577 B14R1.3242 CCCC(C)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011216630 [0,1,0,1,0,0|2,0,0]=4 9578 B14R1.6567 CSCCCNC(=O)NC(C)C1CC1 2708a_100000700016_100000749238 [0,1,0,1,0,0|2,0,0]=4 9579 B14R1.6567 CSCCCNC(=O)NC(C)C1CC1 2708a_100000749238_100000700016 [0,1,0,1,0,0|2,0,0]=4 9580 B14R1.6567 CSCCCNC(=O)NC(C)C1CC1 273464a_100000700016_100000749238 [0,1,0,1,0,0|2,0,0]=4 9581 B14R1.6567 CSCCCNC(=O)NC(C)C1CC1 273464a_100000749238_100000700016 [0,1,0,1,0,0|2,0,0]=4 9582 B14R1.6567 CSCCCNC(=O)NC(C)C1CC1 512a_100000700016_100000749238 [0,1,0,1,0,0|2,0,0]=4 9583 B14R1.6567 CSCCCNC(=O)NC(C)C1CC1 512a_100000749238_100000700016 [0,1,0,1,0,0|2,0,0]=4 9584 B14R1.7237 CCCC(C)CC(=O)NCC1CCC1 11a_100000738700_100000748435 [0,1,0,1,0,0|2,0,0]=4 9585 B14R1.7237 CCCC(C)CC(=O)NCC1CCC1 1626a_100000738700_100000748435 [0,1,0,1,0,0|2,0,0]=4 9586 B14R1.7237 CCCC(C)CC(=O)NCC1CCC1 240690a_100000738700_100000748435 [0,1,0,1,0,0|2,0,0]=4 9587 B14R1.7237 CCCC(C)CC(=O)NCC1CCC1 527a_100000738700_100000748435 [0,1,0,1,0,0|2,0,0]=4 9588 B14R1.7237 CCCC(C)CC(=O)NCC1COC1 11a_100015281925_100000748435 [0,1,0,1,0,0|1,1,0]=4 9589 B14R1.7237 CCCC(C)CC(=O)NCC1COC1 1626a_100015281925_100000748435 [0,1,0,1,0,0|1,1,0]=4 9590 B14R1.7237 CCCC(C)CC(=O)NCC1COC1 240690a_100015281925_100000748435 [0,1,0,1,0,0|1,1,0]=4 9591 B14R1.7237 CCCC(C)CC(=O)NCC1COC1 527a_100015281925_100000748435 [0,1,0,1,0,0|1,1,0]=4 9592 B14R1.7238 CCCC(C)CC(=O)CCCC1CO1 1458a_100000748435_100000733510 [0,1,0,1,0,0|1,1,0]=4 9593 B14R1.7238 CCCC(C)CC(=O)NCCC1CC1 1626a_100000764129_100000748435 [0,1,0,1,0,0|2,0,0]=4 9594 B14R1.7238 CCCC(C)CC(=O)NCCC1CC1 240690a_100000764129_100000748435 [0,1,0,1,0,0|2,0,0]=4 9595 B14R1.7238 CCCC(C)CC(=O)NCCC1CC1 527a_100000764129_100000748435 [0,1,0,1,0,0|2,0,0]=4 9596 B14R1.10522 CCCCCCC(=O)CC1(CCC1)C 1458a_100102632555_100000726658 [0,1,0,1,0,0|2,0,0]=4 9597 B14R1.10522 CSCCCNC(=O)NC1(CCC1)C 2708a_100000749238_100000692455 [0,1,0,1,0,0|2,0,0]=4 9598 B14R1.10522 CSCCCNC(=O)NC1(CCC1)C 273464a_100000692455_100000749238 [0,1,0,1,0,0|2,0,0]=4 9599 B14R1.10522 CSCCCNC(=O)NC1(CCC1)C 273464a_100000749238_100000692455 [0,1,0,1,0,0|2,0,0]=4 9600 B14R1.10522 CSCCCNC(=O)NC1(CCC1)C 512a_100000692455_100000749238 [0,1,0,1,0,0|2,0,0]=4 9601 B14R1.10522 CSCCCNC(=O)NC1(CCC1)C 512a_100000749238_100000692455 [0,1,0,1,0,0|2,0,0]=4 9602 B14R1.169 CCCCCC#CC(=O)C1CCCC1 1458a_100011215388_100000179811 [0,1,0,1,0,0|2,0,0]=4 9603 B14R1.169 CCCCCC=CC(=O)C1CCCC1 1458a_100016263427_100000179811 [0,1,0,1,0,0|2,0,0]=4 9604 B14R1.169 CCCCCCCC(=O)C1CCCC1 1458a_100000210718_100000210614 [0,1,0,1,0,0|2,0,0]=4 9605 B14R1.169 CCCCCCCC(=O)C1CCCC1 1458a_100000211969_100000179811 [0,1,0,1,0,0|2,0,0]=4 9606 B14R1.169 CCCCCCNC(=O)C1CCCC1 11a_100000210581_100000210718 [0,1,0,1,0,0|2,0,0]=4 9607 B14R1.169 CCCCCCNC(=O)C1CCCC1 1626a_100000210581_100000210718 [0,1,0,1,0,0|2,0,0]=4 9608 B14R1.169 CCCCCCNC(=O)C1CCCC1 240690a_100000210581_100000210718 [0,1,0,1,0,0|2,0,0]=4 9609 B14R1.169 CCCCCCNC(=O)C1CCCC1 527a_100000210581_100000210718 [0,1,0,1,0,0|2,0,0]=4 9610 B14R1.169 CCCCCNNC(=O)C1CCCC1 22a_100000694160_100000210718 [0,1,0,1,0,0|2,0,0]=4 9611 B14R1.169 CCCCCOCC(=O)N1CCCC1 34a_100000210253_100000183516 [0,1,0,1,0,0|2,0,0]=4 9612 B14R1.169 CCCCCOCC(=O)N1CCCC1 7a_100000210253_100000183516 [0,1,0,1,0,0|2,0,0]=4 9613 B14R1.169 CCCCCOCC(=O)N1CCCC1 7a_200000752455_100000210326 [0,1,0,1,0,0|2,0,0]=4 9614 B14R1.169 CCCCOCCC(=O)C1CCCC1 1458a_100000210718_100000743108 [0,1,0,1,0,0|2,0,0]=4 9615 B14R1.169 CCCOCCNC(=O)C1CCCC1 1626a_100161115042_100000210718 [0,1,0,1,0,0|2,0,0]=4 9616 B14R1.169 CCCOCCNC(=O)C1CCCC1 240690a_100161115042_100000210718 [0,1,0,1,0,0|2,0,0]=4 9617 B14R1.169 CCCOCCNC(=O)C1CCCC1 527a_100161115042_100000210718 [0,1,0,1,0,0|2,0,0]=4 9618 B14R1.169 CCCSCCNC(=O)C1CCCC1 11a_100020603323_100000210718 [0,1,0,1,0,0|2,0,0]=4 9619 B14R1.169 CCCSCCNC(=O)C1CCCC1 240690a_100020603323_100000210718 [0,1,0,1,0,0|2,0,0]=4 9620 B14R1.169 CCCSCCNC(=O)C1CCCC1 527a_100020603323_100000210718 [0,1,0,1,0,0|2,0,0]=4 9621 B14R1.169 CCOCCCNC(=O)C1CCCC1 11a_100000210961_100000210718 [0,1,0,1,0,0|1,1,0]=4 9622 B14R1.169 CCOCCCNC(=O)C1CCCC1 1626a_100000210961_100000210718 [0,1,0,1,0,0|1,1,0]=4 9623 B14R1.169 CCOCCCNC(=O)C1CCCC1 240690a_100000210961_100000210718 [0,1,0,1,0,0|1,1,0]=4 9624 B14R1.169 CCOCCCNC(=O)C1CCCC1 527a_100000210961_100000210718 [0,1,0,1,0,0|1,1,0]=4 9625 B14R1.169 CNCCCOCC(=O)N1CCCC1 34a_100000213112_100000183516 [0,1,0,1,0,0|2,0,0]=4 9626 B14R1.169 COCCCCCC(=O)C1CCCC1 1458a_100011935119_100000179811 [0,1,0,1,0,0|1,1,0]=4 9627 B14R1.169 COCCCNNC(=O)C1CCCC1 22a_100025702787_100000210718 [0,1,0,1,0,0|1,1,0]=4 9628 B14R1.169 COCCCOCC(=O)N1CCCC1 34a_100000740835_100000183516 [0,1,0,1,0,0|1,1,0]=4 9629 B14R1.169 COCCCOCC(=O)N1CCCC1 7a_200000752455_100000740836 [0,1,0,1,0,0|1,1,0]=4 9630 B14R1.169 COCCOCCC(=O)C1CCCC1 1458a_100000210718_100000695917 [0,1,0,1,0,0|1,1,0]=4 9631 B14R1.169 COCCOCCC(=O)C1CCCC1 1458a_100000745395_100000179811 [0,1,0,1,0,0|1,1,0]=4 9632 B14R1.169 CSCCC=NNC(=O)C1CCCC1 4a_100000189808_100000210997 [0,1,0,1,0,0|1,0,1]=4 9633 B14R1.169 CSCCCNCC(=O)N1CCCC1 2230a_100000749238_100000183516 [0,1,0,1,0,0|2,0,0]=4 9634 B14R1.169 CSCCCOCC(=O)N1CCCC1 34a_100000690336_100000183516 [0,1,0,1,0,0|1,0,0]=3 9635 B14R1.169 CSCCCOCC(=O)N1CCCC1 7a_100000690336_100000183516 [0,1,0,1,0,0|1,0,0]=3 9636 B14R1.169 CSCCNCCC(=O)N1CCCC1 2230a_100020590264_100011194422 [0,1,0,1,0,0|2,0,0]=4 9637 B14R1.169 CSCCOCCC(=O)N1CCCC1 34a_100000230434_100011194422 [0,1,0,1,0,0|2,0,0]=4 9638 B14R1.169 CSCCOCCC(=O)N1CCCC1 7a_100000230434_100011194422 [0,1,0,1,0,0|2,0,0]=4 9639 B14R1.169 CSCCSCCC(=O)N1CCCC1 62a_100000212216_100011194422 [0,1,0,1,0,0|2,0,0]=4 9640 B14R1.169 CSCCSCCC(=O)N1CCCC1 62a_100011194422_100000751147 [0,1,0,1,0,0|2,0,0]=4 9641 B14R1.169 O=C(CCCCCCF)C1CCCC1 1458a_100000210718_100015922095 [0,1,0,1,0,0|2,0,0]=4 9642 B14R1.169 O=C(CCCCCCO)C1CCCC1 1458a_100000210718_100000766143 [0,1,0,1,0,0|2,0,0]=4 9643 B14R1.169 O=C(CCCCCCO)C1CCCC1 1458a_100011996774_100000179811 [0,1,0,1,0,0|2,0,0]=4 9644 B14R1.169 O=C(NCCCCCO)C1CCCC1 240690a_100000762737_100000210718 [0,1,0,1,0,0|2,0,0]=4 9645 B14R1.1043 CCCCCC(=O)N1CCC1COC 11a_100015195929_100000212188 [0,1,0,1,0,0|1,1,0]=4 9646 B14R1.1043 CCCCCC(=O)N1CCC1COC 1626a_100015195929_100000212188 [0,1,0,1,0,0|1,1,0]=4 9647 B14R1.1043 CCCCCC(=O)N1CCC1COC 240690a_100015195929_100000212188 [0,1,0,1,0,0|1,1,0]=4 9648 B14R1.1043 CCCCCC(=O)N1CCC1COC 527a_100015195929_100000212188 [0,1,0,1,0,0|1,1,0]=4 9649 B14R1.1045 CCCCCC(=O)C1CCCN1CC 1458a_106256033941_100000210326 [0,1,0,1,0,0|2,0,0]=4 9650 B14R1.1045 CCCCCC(=O)N1CCCC1CC 11a_100000754278_100000212188 [0,1,0,1,0,0|2,0,0]=4 9651 B14R1.1045 CCCCCC(=O)N1CCCC1CC 1626a_100000754278_100000212188 [0,1,0,1,0,0|2,0,0]=4 9652 B14R1.1045 CCCCCC(=O)N1CCCC1CC 240690a_100000754278_100000212188 [0,1,0,1,0,0|2,0,0]=4 9653 B14R1.1045 CCCCCC(=O)N1CCCC1CC 527a_100000754278_100000212188 [0,1,0,1,0,0|2,0,0]=4 9654 B14R1.1045 CCCCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000212188 [0,1,0,1,0,0|2,0,0]=4 9655 B14R1.1045 CCCCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000212188 [0,1,0,1,0,0|2,0,0]=4 9656 B14R1.2352 CCSCCCOC1CCCCCC1 34a_100011216438_100011217769 [0,1,0,1,0,0|1,0,1]=4 9657 B14R1.2352 CSCCCCOC1CCCCCC1 34a_100011217163_100011217769 [0,1,0,1,0,0|1,0,1]=4 9658 B14R1.2352 CSCCCOCC1CCCCCC1 34a_100000690336_200000696569 [0,1,0,1,0,0|1,0,1]=4 9659 B14R1.2352 CSCCCOCC1CCCCCC1 7a_100000690336_200000696569 [0,1,0,1,0,0|1,0,1]=4 9660 B14R1.3001 CCCCCC(=O)C1CCCCCC1 1458a_100000212188_100011217769 [0,1,0,1,0,0|2,0,0]=4 9661 B14R1.3001 CCCCCC(=O)C1CCCCCC1 1458a_100000749507_100000210326 [0,1,0,1,0,0|2,0,0]=4 9662 B14R1.3001 CCCCCC(=O)N1CCCCCC1 11a_100000185865_100000212188 [0,1,0,1,0,0|2,0,0]=4 9663 B14R1.3001 CCCCCC(=O)N1CCCCCC1 1626a_100000185865_100000212188 [0,1,0,1,0,0|2,0,0]=4 9664 B14R1.3001 CCCCCC(=O)N1CCCCCC1 240690a_100000185865_100000212188 [0,1,0,1,0,0|2,0,0]=4 9665 B14R1.3001 CCCCCC(=O)N1CCCCCC1 527a_100000185865_100000212188 [0,1,0,1,0,0|2,0,0]=4 9666 B14R1.3001 CCCCCC(=O)N1CCCOCC1 11a_100000685342_100000212188 [0,1,0,1,0,0|1,1,0]=4 9667 B14R1.3001 CCCCCC(=O)N1CCCOCC1 1626a_100000685342_100000212188 [0,1,0,1,0,0|1,1,0]=4 9668 B14R1.3001 CCCCCC(=O)N1CCCOCC1 240690a_100000685342_100000212188 [0,1,0,1,0,0|1,1,0]=4 9669 B14R1.3001 CCCCCC(=O)N1CCCOCC1 527a_100000685342_100000212188 [0,1,0,1,0,0|1,1,0]=4 9670 B14R1.4515 CCC1CC1C(=O)CCCCCCF 1458a_200011661523_100015922095 [0,1,0,1,0,0|2,0,0]=4 9671 B14R1.4515 CCC1CC1C(=O)CCCCCCO 1458a_200011661523_100000766143 [0,1,0,1,0,0|2,0,0]=4 9672 B14R1.4515 CCC1CC1C(=O)CCOCCOC 1458a_200011661523_100000695917 [0,1,0,1,0,0|1,1,0]=4 9673 B14R1.4515 CCC1CC1C(=O)NCCCCCO 240690a_100000762737_200011661523 [0,1,0,1,0,0|2,0,0]=4 9674 B14R1.4515 CCC1CC1C(=O)NNCCCOC 22a_100025702787_200011661523 [0,1,0,1,0,0|1,1,0]=4 9675 B14R1.4515 CCCCCCCC(=O)C1CC1CC 1458a_200011661523_100000210614 [0,1,0,1,0,0|2,0,0]=4 9676 B14R1.4515 CCCCCCNC(=O)C1CC1CC 11a_100000210581_200011661523 [0,1,0,1,0,0|2,0,0]=4 9677 B14R1.4515 CCCCCCNC(=O)C1CC1CC 1626a_100000210581_200011661523 [0,1,0,1,0,0|2,0,0]=4 9678 B14R1.4515 CCCCCCNC(=O)C1CC1CC 240690a_100000210581_200011661523 [0,1,0,1,0,0|2,0,0]=4 9679 B14R1.4515 CCCCCCNC(=O)C1CC1CC 527a_100000210581_200011661523 [0,1,0,1,0,0|2,0,0]=4 9680 B14R1.4515 CCCCCNNC(=O)C1CC1CC 22a_100000694160_200011661523 [0,1,0,1,0,0|2,0,0]=4 9681 B14R1.4515 CCCCOCCC(=O)C1CC1CC 1458a_200011661523_100000743108 [0,1,0,1,0,0|2,0,0]=4 9682 B14R1.4515 CCCOCCNC(=O)C1CC1CC 1626a_100161115042_200011661523 [0,1,0,1,0,0|2,0,0]=4 9683 B14R1.4515 CCCOCCNC(=O)C1CC1CC 240690a_100161115042_200011661523 [0,1,0,1,0,0|2,0,0]=4 9684 B14R1.4515 CCCOCCNC(=O)C1CC1CC 527a_100161115042_200011661523 [0,1,0,1,0,0|2,0,0]=4 9685 B14R1.4515 CCCSCCNC(=O)C1CC1CC 11a_100020603323_200011661523 [0,1,0,1,0,0|2,0,0]=4 9686 B14R1.4515 CCCSCCNC(=O)C1CC1CC 240690a_100020603323_200011661523 [0,1,0,1,0,0|2,0,0]=4 9687 B14R1.4515 CCCSCCNC(=O)C1CC1CC 527a_100020603323_200011661523 [0,1,0,1,0,0|2,0,0]=4 9688 B14R1.4515 CCOCCCNC(=O)C1CC1CC 11a_100000210961_200011661523 [0,1,0,1,0,0|1,1,0]=4 9689 B14R1.4515 CCOCCCNC(=O)C1CC1CC 1626a_100000210961_200011661523 [0,1,0,1,0,0|1,1,0]=4 9690 B14R1.4515 CCOCCCNC(=O)C1CC1CC 240690a_100000210961_200011661523 [0,1,0,1,0,0|1,1,0]=4 9691 B14R1.4515 CCOCCCNC(=O)C1CC1CC 527a_100000210961_200011661523 [0,1,0,1,0,0|1,1,0]=4 9692 B14R1.4517 CCCCCC#CC(=O)CC1CCC1 1458a_100011215388_100000763275 [0,1,0,1,0,0|2,0,0]=4 9693 B14R1.4517 CCCCCC=CC(=O)CC1CCC1 1458a_100016263427_100000763275 [0,1,0,1,0,0|2,0,0]=4 9694 B14R1.4517 CCCCCCCC(=O)CC1CCC1 1458a_100000211969_100000763275 [0,1,0,1,0,0|2,0,0]=4 9695 B14R1.4517 CCCCCCCC(=O)CC1CCC1 1458a_100000763092_100000210614 [0,1,0,1,0,0|2,0,0]=4 9696 B14R1.4517 CCCCCCNC(=O)CC1CCC1 11a_100000210581_100000763092 [0,1,0,1,0,0|2,0,0]=4 9697 B14R1.4517 CCCCCCNC(=O)CC1CCC1 1626a_100000210581_100000763092 [0,1,0,1,0,0|2,0,0]=4 9698 B14R1.4517 CCCCCCNC(=O)CC1CCC1 240690a_100000210581_100000763092 [0,1,0,1,0,0|2,0,0]=4 9699 B14R1.4517 CCCCCCNC(=O)CC1CCC1 527a_100000210581_100000763092 [0,1,0,1,0,0|2,0,0]=4 9700 B14R1.4517 CCCCCNNC(=O)CC1CCC1 22a_100000694160_100000763092 [0,1,0,1,0,0|2,0,0]=4 9701 B14R1.4517 CCCCOCCC(=O)CC1CCC1 1458a_100000763092_100000743108 [0,1,0,1,0,0|2,0,0]=4 9702 B14R1.4517 CCCOCCNC(=O)CC1CCC1 1626a_100161115042_100000763092 [0,1,0,1,0,0|2,0,0]=4 9703 B14R1.4517 CCCOCCNC(=O)CC1CCC1 240690a_100161115042_100000763092 [0,1,0,1,0,0|2,0,0]=4 9704 B14R1.4517 CCCOCCNC(=O)CC1CCC1 527a_100161115042_100000763092 [0,1,0,1,0,0|2,0,0]=4 9705 B14R1.4517 CCCSCCNC(=O)CC1CCC1 11a_100020603323_100000763092 [0,1,0,1,0,0|2,0,0]=4 9706 B14R1.4517 CCCSCCNC(=O)CC1CCC1 240690a_100020603323_100000763092 [0,1,0,1,0,0|2,0,0]=4 9707 B14R1.4517 CCCSCCNC(=O)CC1CCC1 527a_100020603323_100000763092 [0,1,0,1,0,0|2,0,0]=4 9708 B14R1.4517 CCOCCCNC(=O)CC1CCC1 11a_100000210961_100000763092 [0,1,0,1,0,0|1,1,0]=4 9709 B14R1.4517 CCOCCCNC(=O)CC1CCC1 1626a_100000210961_100000763092 [0,1,0,1,0,0|1,1,0]=4 9710 B14R1.4517 CCOCCCNC(=O)CC1CCC1 240690a_100000210961_100000763092 [0,1,0,1,0,0|1,1,0]=4 9711 B14R1.4517 CCOCCCNC(=O)CC1CCC1 527a_100000210961_100000763092 [0,1,0,1,0,0|1,1,0]=4 9712 B14R1.4517 COCCCCCC(=O)CC1CCC1 1458a_100011935119_100000763275 [0,1,0,1,0,0|1,1,0]=4 9713 B14R1.4517 COCCCNNC(=O)CC1CCC1 22a_100025702787_100000763092 [0,1,0,1,0,0|1,1,0]=4 9714 B14R1.4517 COCCOCCC(=O)CC1CCC1 1458a_100000745395_100000763275 [0,1,0,1,0,0|1,1,0]=4 9715 B14R1.4517 COCCOCCC(=O)CC1CCC1 1458a_100000763092_100000695917 [0,1,0,1,0,0|1,1,0]=4 9716 B14R1.4517 O=C(CC1CCC1)NCCCCCO 240690a_100000762737_100000763092 [0,1,0,1,0,0|2,0,0]=4 9717 B14R1.4517 O=C(CCCCCCF)CC1CCC1 1458a_100000763092_100015922095 [0,1,0,1,0,0|2,0,0]=4 9718 B14R1.4517 O=C(CCCCCCO)CC1CCC1 1458a_100000763092_100000766143 [0,1,0,1,0,0|2,0,0]=4 9719 B14R1.4517 O=C(CCCCCCO)CC1CCC1 1458a_100011996774_100000763275 [0,1,0,1,0,0|2,0,0]=4 9720 B14R1.4518 CCCCCC#CC(=O)CCC1CC1 1458a_100011215388_100000694398 [0,1,0,1,0,0|2,0,0]=4 9721 B14R1.4518 CCCCCC=CC(=O)CCC1CC1 1458a_100016263427_100000694398 [0,1,0,1,0,0|2,0,0]=4 9722 B14R1.4518 CCCCCCCC(=O)CCC1CC1 1458a_100000211969_100000694398 [0,1,0,1,0,0|2,0,0]=4 9723 B14R1.4518 CCCCCCCC(=O)CCC1CC1 1458a_100000756386_100000210614 [0,1,0,1,0,0|2,0,0]=4 9724 B14R1.4518 CCCCCCNC(=O)CCC1CC1 11a_100000210581_100000756386 [0,1,0,1,0,0|2,0,0]=4 9725 B14R1.4518 CCCCCCNC(=O)CCC1CC1 1626a_100000210581_100000756386 [0,1,0,1,0,0|2,0,0]=4 9726 B14R1.4518 CCCCCCNC(=O)CCC1CC1 240690a_100000210581_100000756386 [0,1,0,1,0,0|2,0,0]=4 9727 B14R1.4518 CCCCCCNC(=O)CCC1CC1 527a_100000210581_100000756386 [0,1,0,1,0,0|2,0,0]=4 9728 B14R1.4518 CCCCCNNC(=O)CCC1CC1 22a_100000694160_100000756386 [0,1,0,1,0,0|2,0,0]=4 9729 B14R1.4518 CCCCOCCC(=O)CCC1CC1 1458a_100000756386_100000743108 [0,1,0,1,0,0|2,0,0]=4 9730 B14R1.4518 CCCOCCNC(=O)CCC1CC1 1626a_100161115042_100000756386 [0,1,0,1,0,0|2,0,0]=4 9731 B14R1.4518 CCCOCCNC(=O)CCC1CC1 240690a_100161115042_100000756386 [0,1,0,1,0,0|2,0,0]=4 9732 B14R1.4518 CCCOCCNC(=O)CCC1CC1 527a_100161115042_100000756386 [0,1,0,1,0,0|2,0,0]=4 9733 B14R1.4518 CCCSCCNC(=O)CCC1CC1 11a_100020603323_100000756386 [0,1,0,1,0,0|2,0,0]=4 9734 B14R1.4518 CCCSCCNC(=O)CCC1CC1 240690a_100020603323_100000756386 [0,1,0,1,0,0|2,0,0]=4 9735 B14R1.4518 CCCSCCNC(=O)CCC1CC1 527a_100020603323_100000756386 [0,1,0,1,0,0|2,0,0]=4 9736 B14R1.4518 CCOCCCNC(=O)CCC1CC1 11a_100000210961_100000756386 [0,1,0,1,0,0|1,1,0]=4 9737 B14R1.4518 CCOCCCNC(=O)CCC1CC1 1626a_100000210961_100000756386 [0,1,0,1,0,0|1,1,0]=4 9738 B14R1.4518 CCOCCCNC(=O)CCC1CC1 240690a_100000210961_100000756386 [0,1,0,1,0,0|1,1,0]=4 9739 B14R1.4518 CCOCCCNC(=O)CCC1CC1 527a_100000210961_100000756386 [0,1,0,1,0,0|1,1,0]=4 9740 B14R1.4518 COCCCCCC(=O)CCC1CC1 1458a_100011935119_100000694398 [0,1,0,1,0,0|1,1,0]=4 9741 B14R1.4518 COCCCNNC(=O)CCC1CC1 22a_100025702787_100000756386 [0,1,0,1,0,0|1,1,0]=4 9742 B14R1.4518 COCCOCCC(=O)CCC1CC1 1458a_100000745395_100000694398 [0,1,0,1,0,0|1,1,0]=4 9743 B14R1.4518 COCCOCCC(=O)CCC1CC1 1458a_100000756386_100000695917 [0,1,0,1,0,0|1,1,0]=4 9744 B14R1.4518 O=C(CCC1CC1)NCCCCCO 240690a_100000762737_100000756386 [0,1,0,1,0,0|2,0,0]=4 9745 B14R1.4518 O=C(CCCCCCF)CCC1CC1 1458a_100000756386_100015922095 [0,1,0,1,0,0|2,0,0]=4 9746 B14R1.4518 O=C(CCCCCCO)CCC1CC1 1458a_100000756386_100000766143 [0,1,0,1,0,0|2,0,0]=4 9747 B14R1.4518 O=C(CCCCCCO)CCC1CC1 1458a_100011996774_100000694398 [0,1,0,1,0,0|2,0,0]=4 9748 B14R1.20339 CSCCCOC1C(=O)CCCC1=O 7a_100000690336_100009814513 [0,1,0,1,0,0|1,0,1]=4 9749 B14R1.107 CCCCCC(=O)N(C)C1CCCC1 11a_100000207505_100000212188 [0,1,0,1,0,0|2,0,0]=4 9750 B14R1.107 CCCCCC(=O)N(C)C1CCCC1 1626a_100000207505_100000212188 [0,1,0,1,0,0|2,0,0]=4 9751 B14R1.107 CCCCCC(=O)N(C)C1CCCC1 240690a_100000207505_100000212188 [0,1,0,1,0,0|2,0,0]=4 9752 B14R1.107 CCCCCC(=O)N(C)C1CCCC1 527a_100000207505_100000212188 [0,1,0,1,0,0|2,0,0]=4 9753 B14R1.107 CCCCCC(=O)N(C)C1CCOC1 11a_100016988252_100000212188 [0,1,0,1,0,0|1,1,0]=4 9754 B14R1.107 CCCCCC(=O)N(C)C1CCOC1 1626a_100016988252_100000212188 [0,1,0,1,0,0|1,1,0]=4 9755 B14R1.107 CCCCCC(=O)N(C)C1CCOC1 240690a_100016988252_100000212188 [0,1,0,1,0,0|1,1,0]=4 9756 B14R1.107 CCCCCC(=O)N(C)C1CCOC1 527a_100016988252_100000212188 [0,1,0,1,0,0|1,1,0]=4 9757 B14R1.107 CCCCCC(C)C(=O)C1CCCC1 1458a_100000210718_200011218191 [0,1,0,1,0,0|2,0,0]=4 9758 B14R1.107 CCCCCC(C)C(=O)C1CCCC1 1458a_100011215998_100000179811 [0,1,0,1,0,0|2,0,0]=4 9759 B14R1.107 CCCCCN(C)C(=O)C1CCCC1 11a_100000223495_100000210718 [0,1,0,1,0,0|2,0,0]=4 9760 B14R1.107 CCCCCN(C)C(=O)C1CCCC1 1626a_100000223495_100000210718 [0,1,0,1,0,0|2,0,0]=4 9761 B14R1.107 CCCCCN(C)C(=O)C1CCCC1 240690a_100000223495_100000210718 [0,1,0,1,0,0|2,0,0]=4 9762 B14R1.107 CCCCCN(C)C(=O)C1CCCC1 527a_100000223495_100000210718 [0,1,0,1,0,0|2,0,0]=4 9763 B14R1.107 COCCCN(C)C(=O)C1CCCC1 11a_100000224831_100000210718 [0,1,0,1,0,0|1,1,0]=4 9764 B14R1.107 COCCCN(C)C(=O)C1CCCC1 1626a_100000224831_100000210718 [0,1,0,1,0,0|1,1,0]=4 9765 B14R1.107 COCCCN(C)C(=O)C1CCCC1 240690a_100000224831_100000210718 [0,1,0,1,0,0|1,1,0]=4 9766 B14R1.107 COCCCN(C)C(=O)C1CCCC1 527a_100000224831_100000210718 [0,1,0,1,0,0|1,1,0]=4 9767 B14R1.3039 CCCCCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210326 [0,1,0,1,0,0|2,0,0]=4 9768 B14R1.3039 CCCCCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210326 [0,1,0,1,0,0|2,0,0]=4 9769 B14R1.3039 CCCCCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210326 [0,1,0,1,0,0|2,0,0]=4 9770 B14R1.3725 CCC1CC1C(=O)N(C)CCCOC 11a_100000224831_200011661523 [0,1,0,1,0,0|1,1,0]=4 9771 B14R1.3725 CCC1CC1C(=O)N(C)CCCOC 1626a_100000224831_200011661523 [0,1,0,1,0,0|1,1,0]=4 9772 B14R1.3725 CCC1CC1C(=O)N(C)CCCOC 240690a_100000224831_200011661523 [0,1,0,1,0,0|1,1,0]=4 9773 B14R1.3725 CCC1CC1C(=O)N(C)CCCOC 527a_100000224831_200011661523 [0,1,0,1,0,0|1,1,0]=4 9774 B14R1.3725 CCCCCC(C)C(=O)C1CC1CC 1458a_200011661523_200011218191 [0,1,0,1,0,0|2,0,0]=4 9775 B14R1.3725 CCCCCN(C)C(=O)C1CC1CC 11a_100000223495_200011661523 [0,1,0,1,0,0|2,0,0]=4 9776 B14R1.3725 CCCCCN(C)C(=O)C1CC1CC 1626a_100000223495_200011661523 [0,1,0,1,0,0|2,0,0]=4 9777 B14R1.3725 CCCCCN(C)C(=O)C1CC1CC 240690a_100000223495_200011661523 [0,1,0,1,0,0|2,0,0]=4 9778 B14R1.3725 CCCCCN(C)C(=O)C1CC1CC 527a_100000223495_200011661523 [0,1,0,1,0,0|2,0,0]=4 9779 B14R1.3727 CCCCCC(=O)N(C)CC1CCC1 11a_200000750244_100000212188 [0,1,0,1,0,0|2,0,0]=4 9780 B14R1.3727 CCCCCC(=O)N(C)CC1CCC1 1626a_200000750244_100000212188 [0,1,0,1,0,0|2,0,0]=4 9781 B14R1.3727 CCCCCC(=O)N(C)CC1CCC1 240690a_200000750244_100000212188 [0,1,0,1,0,0|2,0,0]=4 9782 B14R1.3727 CCCCCC(=O)N(C)CC1CCC1 527a_200000750244_100000212188 [0,1,0,1,0,0|2,0,0]=4 9783 B14R1.3727 CCCCCC(C)C(=O)CC1CCC1 1458a_100000763092_200011218191 [0,1,0,1,0,0|2,0,0]=4 9784 B14R1.3727 CCCCCC(C)C(=O)CC1CCC1 1458a_100011215998_100000763275 [0,1,0,1,0,0|2,0,0]=4 9785 B14R1.3727 CCCCCN(C)C(=O)CC1CCC1 11a_100000223495_100000763092 [0,1,0,1,0,0|2,0,0]=4 9786 B14R1.3727 CCCCCN(C)C(=O)CC1CCC1 1626a_100000223495_100000763092 [0,1,0,1,0,0|2,0,0]=4 9787 B14R1.3727 CCCCCN(C)C(=O)CC1CCC1 240690a_100000223495_100000763092 [0,1,0,1,0,0|2,0,0]=4 9788 B14R1.3727 CCCCCN(C)C(=O)CC1CCC1 527a_100000223495_100000763092 [0,1,0,1,0,0|2,0,0]=4 9789 B14R1.3727 COCCCN(C)C(=O)CC1CCC1 11a_100000224831_100000763092 [0,1,0,1,0,0|1,1,0]=4 9790 B14R1.3727 COCCCN(C)C(=O)CC1CCC1 1626a_100000224831_100000763092 [0,1,0,1,0,0|1,1,0]=4 9791 B14R1.3727 COCCCN(C)C(=O)CC1CCC1 240690a_100000224831_100000763092 [0,1,0,1,0,0|1,1,0]=4 9792 B14R1.3727 COCCCN(C)C(=O)CC1CCC1 527a_100000224831_100000763092 [0,1,0,1,0,0|1,1,0]=4 9793 B14R1.3728 CCCCCC(C)C(=O)CCC1CC1 1458a_100000756386_200011218191 [0,1,0,1,0,0|2,0,0]=4 9794 B14R1.3728 CCCCCC(C)C(=O)CCC1CC1 1458a_100011215998_100000694398 [0,1,0,1,0,0|2,0,0]=4 9795 B14R1.3728 CCCCCN(C)C(=O)CCC1CC1 11a_100000223495_100000756386 [0,1,0,1,0,0|2,0,0]=4 9796 B14R1.3728 CCCCCN(C)C(=O)CCC1CC1 1626a_100000223495_100000756386 [0,1,0,1,0,0|2,0,0]=4 9797 B14R1.3728 CCCCCN(C)C(=O)CCC1CC1 240690a_100000223495_100000756386 [0,1,0,1,0,0|2,0,0]=4 9798 B14R1.3728 CCCCCN(C)C(=O)CCC1CC1 527a_100000223495_100000756386 [0,1,0,1,0,0|2,0,0]=4 9799 B14R1.3728 COCCCN(C)C(=O)CCC1CC1 11a_100000224831_100000756386 [0,1,0,1,0,0|1,1,0]=4 9800 B14R1.3728 COCCCN(C)C(=O)CCC1CC1 1626a_100000224831_100000756386 [0,1,0,1,0,0|1,1,0]=4 9801 B14R1.3728 COCCCN(C)C(=O)CCC1CC1 240690a_100000224831_100000756386 [0,1,0,1,0,0|1,1,0]=4 9802 B14R1.3728 COCCCN(C)C(=O)CCC1CC1 527a_100000224831_100000756386 [0,1,0,1,0,0|1,1,0]=4 9803 B14R1.442 CSCCCNS(=O)(=O)C1CCCC1 270084a_100000749238_100000748936 [0,1,0,1,0,0|2,0,0]=4 9804 B14R1.442 CSCCCNS(=O)(=O)C1CCCC1 274078a_100000749238_100000748936 [0,1,0,1,0,0|2,0,0]=4 9805 B14R1.163 CCC(C)CCC(=O)C1CCCCC1 1458a_100000701222_100000210327 [0,1,0,1,0,0|2,0,0]=4 9806 B14R1.163 CCC(C)CCC(=O)C1CCCOC1 1458a_100000701222_100000693364 [0,1,0,1,0,0|1,1,0]=4 9807 B14R1.163 CCC(C)CCC(=O)N1CCCOC1 11a_100000131196_100000701222 [0,1,0,1,0,0|1,1,0]=4 9808 B14R1.163 CCC(C)CCC(=O)N1CCCOC1 240690a_100000131196_100000701222 [0,1,0,1,0,0|1,1,0]=4 9809 B14R1.163 CCC(O)CCC(=O)N1CCCOC1 240690a_100000131196_203496584001 [0,1,0,1,0,0|1,1,0]=4 9810 B14R1.731 CCC(C)CCC(=O)CC1CCCC1 1458a_100000701222_100000740388 [0,1,0,1,0,0|2,0,0]=4 9811 B14R1.731 CCC(C)CCC(=O)CC1CCOC1 1458a_100000701222_100000702531 [0,1,0,1,0,0|1,1,0]=4 9812 B14R1.731 CCC(C)CCC(=O)NC1CCCC1 11a_100000211070_100000701222 [0,1,0,1,0,0|2,0,0]=4 9813 B14R1.731 CCC(C)CCC(=O)NC1CCCC1 1626a_100000211070_100000701222 [0,1,0,1,0,0|2,0,0]=4 9814 B14R1.731 CCC(C)CCC(=O)NC1CCCC1 240690a_100000211070_100000701222 [0,1,0,1,0,0|2,0,0]=4 9815 B14R1.731 CCC(C)CCC(=O)NC1CCCC1 527a_100000211070_100000701222 [0,1,0,1,0,0|2,0,0]=4 9816 B14R1.731 CCC(C)CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000701222 [0,1,0,1,0,0|1,1,0]=4 9817 B14R1.731 CCC(C)CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000701222 [0,1,0,1,0,0|1,1,0]=4 9818 B14R1.731 CCC(C)CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000701222 [0,1,0,1,0,0|1,1,0]=4 9819 B14R1.731 CCC(C)CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000701222 [0,1,0,1,0,0|1,1,0]=4 9820 B14R1.731 CCC(C)CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000701222 [0,1,0,1,0,0|1,1,0]=4 9821 B14R1.731 CCC(C)CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000701222 [0,1,0,1,0,0|1,1,0]=4 9822 B14R1.731 CCC(O)CCC(=O)NC1CCCC1 1626a_100000211070_203496584001 [0,1,0,1,0,0|2,0,0]=4 9823 B14R1.731 CCC(O)CCC(=O)NC1CCCC1 240690a_100000211070_203496584001 [0,1,0,1,0,0|2,0,0]=4 9824 B14R1.731 CCC(O)CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_203496584001 [0,1,0,1,0,0|1,1,0]=4 9825 B14R1.731 CCC(O)CCC(=O)N[C@H]1CCOC1 1626a_100015188467_203496584001 [0,1,0,1,0,0|1,1,0]=4 9826 B14R1.731 CCC(O)CCC(=O)N[C@H]1CCOC1 240690a_100015188467_203496584001 [0,1,0,1,0,0|1,1,0]=4 9827 B14R1.4461 CCC(C)CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000701222 [0,1,0,1,0,0|2,0,0]=4 9828 B14R1.4461 CCC(C)CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000701222 [0,1,0,1,0,0|2,0,0]=4 9829 B14R1.4461 CCC(C)CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000701222 [0,1,0,1,0,0|2,0,0]=4 9830 B14R1.4461 CCC(C)CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000701222 [0,1,0,1,0,0|2,0,0]=4 9831 B14R1.4461 CCC(C)CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000701222 [0,1,0,1,0,0|2,0,0]=4 9832 B14R1.4461 CCC(O)CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_203496584001 [0,1,0,1,0,0|2,0,0]=4 9833 B14R1.4461 CCC(O)CCC(=O)N1CCC[C@H]1C 240690a_100015189458_203496584001 [0,1,0,1,0,0|2,0,0]=4 9834 B14R1.6688 CSCCCNC(=O)NCC1(CC1)C 2708a_100000749238_100000766693 [0,1,0,1,0,0|2,0,0]=4 9835 B14R1.6688 CSCCCNC(=O)NCC1(CC1)C 2708a_100000766693_100000749238 [0,1,0,1,0,0|2,0,0]=4 9836 B14R1.6688 CSCCCNC(=O)NCC1(CC1)C 273464a_100000749238_100000766693 [0,1,0,1,0,0|2,0,0]=4 9837 B14R1.6688 CSCCCNC(=O)NCC1(CC1)C 273464a_100000766693_100000749238 [0,1,0,1,0,0|2,0,0]=4 9838 B14R1.6688 CSCCCNC(=O)NCC1(CC1)C 512a_100000749238_100000766693 [0,1,0,1,0,0|2,0,0]=4 9839 B14R1.6688 CSCCCNC(=O)NCC1(CC1)C 512a_100000766693_100000749238 [0,1,0,1,0,0|2,0,0]=4 9840 B14R1.6688 CSCCCNC(=O)NCC1(CC1)O 2708a_100000749238_100011936951 [0,1,0,1,0,0|2,0,0]=4 9841 B14R1.6688 CSCCCNC(=O)NCC1(CC1)O 2708a_100011936951_100000749238 [0,1,0,1,0,0|2,0,0]=4 9842 B14R1.6688 CSCCCNC(=O)NCC1(CC1)O 273464a_100000749238_100011936951 [0,1,0,1,0,0|2,0,0]=4 9843 B14R1.6688 CSCCCNC(=O)NCC1(CC1)O 512a_100000749238_100011936951 [0,1,0,1,0,0|2,0,0]=4 9844 B14R1.6688 CSCCCNC(=O)NCC1(CC1)O 512a_100011936951_100000749238 [0,1,0,1,0,0|2,0,0]=4 9845 B14R1.7758 CCC(C)CCC(=O)NCC1CCC1 11a_100000738700_100000701222 [0,1,0,1,0,0|2,0,0]=4 9846 B14R1.7758 CCC(C)CCC(=O)NCC1CCC1 1626a_100000738700_100000701222 [0,1,0,1,0,0|2,0,0]=4 9847 B14R1.7758 CCC(C)CCC(=O)NCC1CCC1 240690a_100000738700_100000701222 [0,1,0,1,0,0|2,0,0]=4 9848 B14R1.7758 CCC(C)CCC(=O)NCC1CCC1 527a_100000738700_100000701222 [0,1,0,1,0,0|2,0,0]=4 9849 B14R1.7758 CCC(C)CCC(=O)NCC1COC1 11a_100015281925_100000701222 [0,1,0,1,0,0|1,1,0]=4 9850 B14R1.7758 CCC(C)CCC(=O)NCC1COC1 1626a_100015281925_100000701222 [0,1,0,1,0,0|1,1,0]=4 9851 B14R1.7758 CCC(C)CCC(=O)NCC1COC1 240690a_100015281925_100000701222 [0,1,0,1,0,0|1,1,0]=4 9852 B14R1.7758 CCC(C)CCC(=O)NCC1COC1 527a_100015281925_100000701222 [0,1,0,1,0,0|1,1,0]=4 9853 B14R1.7758 CCC(O)CCC(=O)NCC1CCC1 1626a_100000738700_203496584001 [0,1,0,1,0,0|2,0,0]=4 9854 B14R1.7758 CCC(O)CCC(=O)NCC1CCC1 240690a_100000738700_203496584001 [0,1,0,1,0,0|2,0,0]=4 9855 B14R1.7758 CCC(O)CCC(=O)NCC1COC1 1626a_100015281925_203496584001 [0,1,0,1,0,0|1,1,0]=4 9856 B14R1.7758 CCC(O)CCC(=O)NCC1COC1 240690a_100015281925_203496584001 [0,1,0,1,0,0|1,1,0]=4 9857 B14R1.7759 CCC(C)CCC(=O)CCCC1CO1 1458a_100000701222_100000733510 [0,1,0,1,0,0|1,1,0]=4 9858 B14R1.7759 CCC(C)CCC(=O)NCCC1CC1 1626a_100000764129_100000701222 [0,1,0,1,0,0|2,0,0]=4 9859 B14R1.7759 CCC(C)CCC(=O)NCCC1CC1 240690a_100000764129_100000701222 [0,1,0,1,0,0|2,0,0]=4 9860 B14R1.7759 CCC(C)CCC(=O)NCCC1CC1 527a_100000764129_100000701222 [0,1,0,1,0,0|2,0,0]=4 9861 B14R1.7759 CCC(O)CCC(=O)NCCC1CC1 1626a_100000764129_203496584001 [0,1,0,1,0,0|2,0,0]=4 9862 B14R1.7759 CCC(O)CCC(=O)NCCC1CC1 240690a_100000764129_203496584001 [0,1,0,1,0,0|2,0,0]=4 9863 B14R1.10503 CSCCCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100000749238_206633788156 [0,1,0,1,0,0|2,0,0]=4 9864 B14R1.10503 CSCCCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100000749238_206633788156 [0,1,0,1,0,0|2,0,0]=4 9865 B14R1.10505 CCC1CN(C1)C(=O)NCCCSC 2708a_100000749238_100015205115 [0,1,0,1,0,0|2,0,0]=4 9866 B14R1.10505 CCC1CN(C1)C(=O)NCCCSC 273464a_100000749238_100015205115 [0,1,0,1,0,0|2,0,0]=4 9867 B14R1.10505 COC1CC(C1)C(=O)NCCCSC 11a_100000749238_100011999411 [0,1,0,1,0,0|2,0,0]=4 9868 B14R1.10505 COC1CC(C1)C(=O)NCCCSC 1626a_100000749238_100011999411 [0,1,0,1,0,0|2,0,0]=4 9869 B14R1.10505 COC1CC(C1)C(=O)NCCCSC 240690a_100000749238_100011999411 [0,1,0,1,0,0|2,0,0]=4 9870 B14R1.10505 COC1CC(C1)C(=O)NCCCSC 527a_100000749238_100011999411 [0,1,0,1,0,0|2,0,0]=4 9871 B14R1.10505 CSCCCNC(=O)C1CC(C1)CO 1626a_100000749238_206645079618 [0,1,0,1,0,0|2,0,0]=4 9872 B14R1.166 CCCCC(C)C(=O)C1CCCCC1 1458a_100000210647_200011215066 [0,1,0,1,0,0|2,0,0]=4 9873 B14R1.166 CCCCC(C)C(=O)C1CCCCC1 1458a_100000725509_100000210327 [0,1,0,1,0,0|2,0,0]=4 9874 B14R1.166 CCCCC(C)C(=O)C1CCCOC1 1458a_100000725509_100000693364 [0,1,0,1,0,0|1,1,0]=4 9875 B14R1.166 CCCCC(C)C(=O)C1CCCOC1 1458a_100000741522_200011215066 [0,1,0,1,0,0|1,1,0]=4 9876 B14R1.166 CCCCC(C)C(=O)N1CCCOC1 11a_100000131196_100000725509 [0,1,0,1,0,0|1,1,0]=4 9877 B14R1.166 CCCCC(C)C(=O)N1CCCOC1 240690a_100000131196_100000725509 [0,1,0,1,0,0|1,1,0]=4 9878 B14R1.166 CCCCC(O)C(=O)C1CCCCC1 1458a_100000720857_100000210327 [0,1,0,1,0,0|2,0,0]=4 9879 B14R1.166 CCCCC(O)C(=O)C1CCCOC1 1458a_100000720857_100000693364 [0,1,0,1,0,0|1,1,0]=4 9880 B14R1.166 CCCCC(O)C(=O)N1CCCOC1 240690a_100000131196_100000720857 [0,1,0,1,0,0|1,1,0]=4 9881 B14R1.454 CCCCC(C)C(=O)CC1CCCC1 1458a_100000210891_200011215066 [0,1,0,1,0,0|2,0,0]=4 9882 B14R1.454 CCCCC(C)C(=O)CC1CCCC1 1458a_100000725509_100000740388 [0,1,0,1,0,0|2,0,0]=4 9883 B14R1.454 CCCCC(C)C(=O)CC1CCOC1 1458a_100000725509_100000702531 [0,1,0,1,0,0|1,1,0]=4 9884 B14R1.454 CCCCC(C)C(=O)CC1CCOC1 1458a_100011218419_200011215066 [0,1,0,1,0,0|1,1,0]=4 9885 B14R1.454 CCCCC(C)C(=O)NC1CCCC1 11a_100000211070_100000725509 [0,1,0,1,0,0|2,0,0]=4 9886 B14R1.454 CCCCC(C)C(=O)NC1CCCC1 1626a_100000211070_100000725509 [0,1,0,1,0,0|2,0,0]=4 9887 B14R1.454 CCCCC(C)C(=O)NC1CCCC1 240690a_100000211070_100000725509 [0,1,0,1,0,0|2,0,0]=4 9888 B14R1.454 CCCCC(C)C(=O)NC1CCCC1 527a_100000211070_100000725509 [0,1,0,1,0,0|2,0,0]=4 9889 B14R1.454 CCCCC(C)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000725509 [0,1,0,1,0,0|1,1,0]=4 9890 B14R1.454 CCCCC(C)C(=O)N[C@@H]1CCOC1 527a_200015188469_100000725509 [0,1,0,1,0,0|1,1,0]=4 9891 B14R1.454 CCCCC(C)C(=O)N[C@H]1CCOC1 11a_100015188467_100000725509 [0,1,0,1,0,0|1,1,0]=4 9892 B14R1.454 CCCCC(C)C(=O)N[C@H]1CCOC1 1626a_100015188467_100000725509 [0,1,0,1,0,0|1,1,0]=4 9893 B14R1.454 CCCCC(C)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000725509 [0,1,0,1,0,0|1,1,0]=4 9894 B14R1.454 CCCCC(C)C(=O)N[C@H]1CCOC1 527a_100015188467_100000725509 [0,1,0,1,0,0|1,1,0]=4 9895 B14R1.454 CCCCC(O)C(=O)CC1CCCC1 1458a_100000720857_100000740388 [0,1,0,1,0,0|2,0,0]=4 9896 B14R1.454 CCCCC(O)C(=O)CC1CCOC1 1458a_100000720857_100000702531 [0,1,0,1,0,0|1,1,0]=4 9897 B14R1.454 CCCCC(O)C(=O)NC1CCCC1 240690a_100000211070_100000720857 [0,1,0,1,0,0|2,0,0]=4 9898 B14R1.454 CCCCC(O)C(=O)NC1CCCC1 527a_100000211070_100000720857 [0,1,0,1,0,0|2,0,0]=4 9899 B14R1.454 CCCCC(O)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000720857 [0,1,0,1,0,0|1,1,0]=4 9900 B14R1.454 CCCCC(O)C(=O)N[C@@H]1CCOC1 527a_200015188469_100000720857 [0,1,0,1,0,0|1,1,0]=4 9901 B14R1.454 CCCCC(O)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000720857 [0,1,0,1,0,0|1,1,0]=4 9902 B14R1.454 CCCCC(O)C(=O)N[C@H]1CCOC1 527a_100015188467_100000720857 [0,1,0,1,0,0|1,1,0]=4 9903 B14R1.4475 CCCCC(C)C(=O)C1CCCC1C 1458a_100000690547_200011215066 [0,1,0,1,0,0|2,0,0]=4 9904 B14R1.4475 CCCCC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000725509 [0,1,0,1,0,0|2,0,0]=4 9905 B14R1.4475 CCCCC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000725509 [0,1,0,1,0,0|2,0,0]=4 9906 B14R1.4475 CCCCC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100000725509 [0,1,0,1,0,0|2,0,0]=4 9907 B14R1.4475 CCCCC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000725509 [0,1,0,1,0,0|2,0,0]=4 9908 B14R1.4475 CCCCC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100000725509 [0,1,0,1,0,0|2,0,0]=4 9909 B14R1.4475 CCCCC(C)C(=O)[C@@H]1CCCN1C 1458a_100009816429_200011215066 [0,1,0,1,0,0|2,0,0]=4 9910 B14R1.4475 CCCCC(O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000720857 [0,1,0,1,0,0|2,0,0]=4 9911 B14R1.4475 CCCCC(O)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000720857 [0,1,0,1,0,0|2,0,0]=4 9912 B14R1.4475 CCCCC(O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000720857 [0,1,0,1,0,0|2,0,0]=4 9913 B14R1.4475 CCCCC(O)C(=O)N1CCC[C@H]1C 527a_100015189458_100000720857 [0,1,0,1,0,0|2,0,0]=4 9914 B14R1.6564 CCCCC(C)C(=O)NCC1CCC1 11a_100000738700_100000725509 [0,1,0,1,0,0|2,0,0]=4 9915 B14R1.6564 CCCCC(C)C(=O)NCC1CCC1 1626a_100000738700_100000725509 [0,1,0,1,0,0|2,0,0]=4 9916 B14R1.6564 CCCCC(C)C(=O)NCC1CCC1 240690a_100000738700_100000725509 [0,1,0,1,0,0|2,0,0]=4 9917 B14R1.6564 CCCCC(C)C(=O)NCC1CCC1 527a_100000738700_100000725509 [0,1,0,1,0,0|2,0,0]=4 9918 B14R1.6564 CCCCC(C)C(=O)NCC1COC1 11a_100015281925_100000725509 [0,1,0,1,0,0|1,1,0]=4 9919 B14R1.6564 CCCCC(C)C(=O)NCC1COC1 1626a_100015281925_100000725509 [0,1,0,1,0,0|1,1,0]=4 9920 B14R1.6564 CCCCC(C)C(=O)NCC1COC1 240690a_100015281925_100000725509 [0,1,0,1,0,0|1,1,0]=4 9921 B14R1.6564 CCCCC(C)C(=O)NCC1COC1 527a_100015281925_100000725509 [0,1,0,1,0,0|1,1,0]=4 9922 B14R1.6564 CCCCC(O)C(=O)NCC1CCC1 240690a_100000738700_100000720857 [0,1,0,1,0,0|2,0,0]=4 9923 B14R1.6564 CCCCC(O)C(=O)NCC1CCC1 527a_100000738700_100000720857 [0,1,0,1,0,0|2,0,0]=4 9924 B14R1.6564 CCCCC(O)C(=O)NCC1COC1 240690a_100015281925_100000720857 [0,1,0,1,0,0|1,1,0]=4 9925 B14R1.6564 CCCCC(O)C(=O)NCC1COC1 527a_100015281925_100000720857 [0,1,0,1,0,0|1,1,0]=4 9926 B14R1.6565 CCCCC(C)C(=O)CCCC1CO1 1458a_100000725509_100000733510 [0,1,0,1,0,0|1,1,0]=4 9927 B14R1.6565 CCCCC(C)C(=O)NCCC1CC1 1626a_100000764129_100000725509 [0,1,0,1,0,0|2,0,0]=4 9928 B14R1.6565 CCCCC(C)C(=O)NCCC1CC1 240690a_100000764129_100000725509 [0,1,0,1,0,0|2,0,0]=4 9929 B14R1.6565 CCCCC(C)C(=O)NCCC1CC1 527a_100000764129_100000725509 [0,1,0,1,0,0|2,0,0]=4 9930 B14R1.6565 CCCCC(O)C(=O)CCCC1CO1 1458a_100000720857_100000733510 [0,1,0,1,0,0|1,1,0]=4 9931 B14R1.6565 CCCCC(O)C(=O)NCCC1CC1 240690a_100000764129_100000720857 [0,1,0,1,0,0|2,0,0]=4 9932 B14R1.6565 CCCCC(O)C(=O)NCCC1CC1 527a_100000764129_100000720857 [0,1,0,1,0,0|2,0,0]=4 9933 B14R1.6796 CSCCCNC(=O)N(C)C1CCC1 2708a_100000749238_100000758072 [0,1,0,1,0,0|2,0,0]=4 9934 B14R1.6796 CSCCCNC(=O)N(C)C1CCC1 273464a_100000749238_100000758072 [0,1,0,1,0,0|2,0,0]=4 9935 B14R1.6798 CSCCCNC(=O)N(C)CC1CC1 2708a_100000749238_100000741881 [0,1,0,1,0,0|2,0,0]=4 9936 B14R1.6798 CSCCCNC(=O)N(C)CC1CC1 273464a_100000749238_100000741881 [0,1,0,1,0,0|2,0,0]=4 9937 B14R1.10502 CCCCCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210757 [0,1,0,1,0,0|2,0,0]=4 9938 B14R1.10502 CCCCCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210757 [0,1,0,1,0,0|2,0,0]=4 9939 B14R1.10502 CCCCCNC(=O)C1(CCCC1)C 11a_100000209983_100000239728 [0,1,0,1,0,0|2,0,0]=4 9940 B14R1.10502 CCCCCNC(=O)C1(CCCC1)C 1626a_100000209983_100000239728 [0,1,0,1,0,0|2,0,0]=4 9941 B14R1.10502 CCCCCNC(=O)C1(CCCC1)C 240690a_100000209983_100000239728 [0,1,0,1,0,0|2,0,0]=4 9942 B14R1.10502 CCCCCNC(=O)C1(CCCC1)C 527a_100000209983_100000239728 [0,1,0,1,0,0|2,0,0]=4 9943 B14R1.10502 CCCCCNC(=O)C1(CCCC1)O 240690a_100000209983_100000242637 [0,1,0,1,0,0|2,0,0]=4 9944 B14R1.10502 CCCCCNC(=O)C1(CCCC1)O 527a_100000209983_100000242637 [0,1,0,1,0,0|2,0,0]=4 9945 B14R1.10502 COCCCCC(=O)C1(CCCC1)C 1458a_100000239728_100000755781 [0,1,0,1,0,0|1,1,0]=4 9946 B14R1.10502 COCCCCC(=O)C1(CCCC1)O 1458a_100000242637_100000755781 [0,1,0,1,0,0|1,1,0]=4 9947 B14R1.10502 COCCCNC(=O)C1(CCCC1)C 1626a_100150723488_100000239728 [0,1,0,1,0,0|1,1,0]=4 9948 B14R1.10502 COCCCNC(=O)C1(CCCC1)C 240690a_100150723488_100000239728 [0,1,0,1,0,0|1,1,0]=4 9949 B14R1.10502 COCCCNC(=O)C1(CCCC1)C 527a_100150723488_100000239728 [0,1,0,1,0,0|1,1,0]=4 9950 B14R1.10502 COCCCNC(=O)C1(CCCC1)O 240690a_100150723488_100000242637 [0,1,0,1,0,0|1,1,0]=4 9951 B14R1.10502 COCCCNC(=O)C1(CCCC1)O 527a_100150723488_100000242637 [0,1,0,1,0,0|1,1,0]=4 9952 B14R1.10502 CSCCCNC(=O)C1(CCCC1)C 11a_100000749238_100000239728 [0,1,0,1,0,0|1,0,0]=3 9953 B14R1.10502 CSCCCNC(=O)C1(CCCC1)C 1626a_100000749238_100000239728 [0,1,0,1,0,0|1,0,0]=3 9954 B14R1.10502 CSCCCNC(=O)C1(CCCC1)C 240690a_100000749238_100000239728 [0,1,0,1,0,0|1,0,0]=3 9955 B14R1.10502 CSCCCNC(=O)C1(CCCC1)C 527a_100000749238_100000239728 [0,1,0,1,0,0|1,0,0]=3 9956 B14R1.10502 CSCCCNC(=O)C1(CCCC1)O 240690a_100000749238_100000242637 [0,1,0,1,0,0|1,0,0]=3 9957 B14R1.10502 CSCCCNC(=O)C1(CCCC1)O 527a_100000749238_100000242637 [0,1,0,1,0,0|1,0,0]=3 9958 B14R1.10502 CSCCCNC(=O)C1(CCCO1)C 11a_100000749238_100000684770 [0,1,0,1,0,0|2,0,0]=4 9959 B14R1.10502 CSCCCNC(=O)C1(CCCO1)C 1626a_100000749238_100000684770 [0,1,0,1,0,0|2,0,0]=4 9960 B14R1.10502 CSCCCNC(=O)C1(CCCO1)C 240690a_100000749238_100000684770 [0,1,0,1,0,0|2,0,0]=4 9961 B14R1.10502 CSCCCNC(=O)C1(CCCO1)C 527a_100000749238_100000684770 [0,1,0,1,0,0|2,0,0]=4 9962 B14R2.9707 CSCCCOC1CC2CCC1C2 34a_100000690336_100000727232 [0,0,0,2,0,0|1,0,1]=4 9963 B14R2.114 O=C(C1CCCC1)C2CCCOC2 1458a_100000210718_100000693364 [0,0,0,2,0,0|1,1,0]=4 9964 B14R2.114 O=C(C1CCCC1)C2CCCOC2 1458a_100000741522_100000179811 [0,0,0,2,0,0|1,1,0]=4 9965 B14R2.114 O=C(C1CCCC1)N2CCCOC2 11a_100000131196_100000210718 [0,0,0,2,0,0|1,1,0]=4 9966 B14R2.114 O=C(C1CCCC1)N2CCCOC2 240690a_100000131196_100000210718 [0,0,0,2,0,0|1,1,0]=4 9967 B14R2.114 O=C(C1CCCCC1)C2CCCC2 1458a_100000210647_100000179811 [0,0,0,2,0,0|2,0,0]=4 9968 B14R2.114 O=C(C1CCCCC1)C2CCCC2 1458a_100000210718_100000210327 [0,0,0,2,0,0|2,0,0]=4 9969 B14R2.792 O=C(CCC1CC1)C2CCCCC2 1458a_100000210647_100000694398 [0,0,0,2,0,0|2,0,0]=4 9970 B14R2.792 O=C(CCC1CC1)C2CCCCC2 1458a_100000756386_100000210327 [0,0,0,2,0,0|2,0,0]=4 9971 B14R2.792 O=C(CCC1CC1)C2CCCOC2 1458a_100000741522_100000694398 [0,0,0,2,0,0|1,1,0]=4 9972 B14R2.792 O=C(CCC1CC1)C2CCCOC2 1458a_100000756386_100000693364 [0,0,0,2,0,0|1,1,0]=4 9973 B14R2.792 O=C(CCC1CC1)N2CCCOC2 11a_100000131196_100000756386 [0,0,0,2,0,0|1,1,0]=4 9974 B14R2.792 O=C(CCC1CC1)N2CCCOC2 240690a_100000131196_100000756386 [0,0,0,2,0,0|1,1,0]=4 9975 B14R2.794 O=C(CC1CCC1)C2CCCCC2 1458a_100000210647_100000763275 [0,0,0,2,0,0|2,0,0]=4 9976 B14R2.794 O=C(CC1CCC1)C2CCCCC2 1458a_100000763092_100000210327 [0,0,0,2,0,0|2,0,0]=4 9977 B14R2.794 O=C(CC1CCC1)C2CCCOC2 1458a_100000741522_100000763275 [0,0,0,2,0,0|1,1,0]=4 9978 B14R2.794 O=C(CC1CCC1)C2CCCOC2 1458a_100000763092_100000693364 [0,0,0,2,0,0|1,1,0]=4 9979 B14R2.794 O=C(CC1CCC1)N2CCCOC2 11a_100000131196_100000763092 [0,0,0,2,0,0|1,1,0]=4 9980 B14R2.794 O=C(CC1CCC1)N2CCCOC2 240690a_100000131196_100000763092 [0,0,0,2,0,0|1,1,0]=4 9981 B14R2.1161 CCC1CC1C(=O)C2CCCCC2 1458a_200011661523_100000210327 [0,0,0,2,0,0|2,0,0]=4 9982 B14R2.1161 CCC1CC1C(=O)C2CCCOC2 1458a_200011661523_100000693364 [0,0,0,2,0,0|1,1,0]=4 9983 B14R2.1161 CCC1CC1C(=O)N2CCCOC2 11a_100000131196_200011661523 [0,0,0,2,0,0|1,1,0]=4 9984 B14R2.1161 CCC1CC1C(=O)N2CCCOC2 240690a_100000131196_200011661523 [0,0,0,2,0,0|1,1,0]=4 9985 B14R2.2877 CCCCCC(=O)C1C2C1COC2 1458a_100000138910_100000210326 [0,0,0,2,0,0|1,1,0]=4 9986 B14R2.2886 CCCCCC(=O)N1CC2CC2C1 11a_100000741873_100000212188 [0,0,0,2,0,0|2,0,0]=4 9987 B14R2.2886 CCCCCC(=O)N1CC2CC2C1 1626a_100000741873_100000212188 [0,0,0,2,0,0|2,0,0]=4 9988 B14R2.2886 CCCCCC(=O)N1CC2CC2C1 240690a_100000741873_100000212188 [0,0,0,2,0,0|2,0,0]=4 9989 B14R2.2886 CCCCCC(=O)N1CC2CC2C1 527a_100000741873_100000212188 [0,0,0,2,0,0|2,0,0]=4 9990 B14R2.48 O=C1CCCCCC1N2CCSC2 269982a_100011215254_100000243696 [0,0,0,2,0,0|2,0,0]=4 9991 B14R2.5536 O=C1CCCCCC1SCC2CS2 62a_100000031435_100000243696 [0,0,0,2,0,0|2,0,0]=4 9992 B14R2.5536 O=C1CCCCCC1SCC2CS2 62a_100000243696_100000031435 [0,0,0,2,0,0|2,0,0]=4 9993 B14R2.8160 O=C1CCCCCC1OC2CSC2 7a_100000072292_100000243696 [0,0,0,2,0,0|2,0,0]=4 9994 B14R2.308 CC1CCCC1C(=O)C2CCCC2 1458a_100000690547_100000179811 [0,0,0,2,0,0|2,0,0]=4 9995 B14R2.308 CN1CCC[C@H]1C(=O)C2CCCC2 1458a_100009816429_100000179811 [0,0,0,2,0,0|2,0,0]=4 9996 B14R2.308 C[C@@H]1CCCN1C(=O)C2CCCC2 11a_100015189458_100000210718 [0,0,0,2,0,0|2,0,0]=4 9997 B14R2.308 C[C@@H]1CCCN1C(=O)C2CCCC2 240690a_100015189458_100000210718 [0,0,0,2,0,0|2,0,0]=4 9998 B14R2.308 C[C@@H]1CCCN1C(=O)C2CCCC2 527a_100015189458_100000210718 [0,0,0,2,0,0|2,0,0]=4 9999 B14R2.308 C[C@H]1CCCN1C(=O)C2CCCC2 240690a_100020605311_100000210718 [0,0,0,2,0,0|2,0,0]=4 10000 B14R2.308 C[C@H]1CCCN1C(=O)C2CCCC2 527a_100020605311_100000210718 [0,0,0,2,0,0|2,0,0]=4 10001 B14R2.793 O=C(CC1CCCC1)C2CCCC2 1458a_100000210718_100000740388 [0,0,0,2,0,0|2,0,0]=4 10002 B14R2.793 O=C(CC1CCCC1)C2CCCC2 1458a_100000210891_100000179811 [0,0,0,2,0,0|2,0,0]=4 10003 B14R2.793 O=C(CC1CCOC1)C2CCCC2 1458a_100000210718_100000702531 [0,0,0,2,0,0|1,1,0]=4 10004 B14R2.793 O=C(CC1CCOC1)C2CCCC2 1458a_100011218419_100000179811 [0,0,0,2,0,0|1,1,0]=4 10005 B14R2.793 O=C(NC1CCCC1)C2CCCC2 11a_100000211070_100000210718 [0,0,0,2,0,0|2,0,0]=4 10006 B14R2.793 O=C(NC1CCCC1)C2CCCC2 1626a_100000211070_100000210718 [0,0,0,2,0,0|2,0,0]=4 10007 B14R2.793 O=C(NC1CCCC1)C2CCCC2 240690a_100000211070_100000210718 [0,0,0,2,0,0|2,0,0]=4 10008 B14R2.793 O=C(NC1CCCC1)C2CCCC2 527a_100000211070_100000210718 [0,0,0,2,0,0|2,0,0]=4 10009 B14R2.793 O=C(N[C@@H]1CCOC1)C2CCCC2 240690a_200015188469_100000210718 [0,0,0,2,0,0|1,1,0]=4 10010 B14R2.793 O=C(N[C@@H]1CCOC1)C2CCCC2 527a_200015188469_100000210718 [0,0,0,2,0,0|1,1,0]=4 10011 B14R2.793 O=C(N[C@H]1CCOC1)C2CCCC2 11a_100015188467_100000210718 [0,0,0,2,0,0|1,1,0]=4 10012 B14R2.793 O=C(N[C@H]1CCOC1)C2CCCC2 1626a_100015188467_100000210718 [0,0,0,2,0,0|1,1,0]=4 10013 B14R2.793 O=C(N[C@H]1CCOC1)C2CCCC2 240690a_100015188467_100000210718 [0,0,0,2,0,0|1,1,0]=4 10014 B14R2.793 O=C(N[C@H]1CCOC1)C2CCCC2 527a_100015188467_100000210718 [0,0,0,2,0,0|1,1,0]=4 10015 B14R2.4253 O=C(CCCC1CO1)C2CCCC2 1458a_100000210718_100000733510 [0,0,0,2,0,0|1,1,0]=4 10016 B14R2.4253 O=C(NCCC1CC1)C2CCCC2 1626a_100000764129_100000210718 [0,0,0,2,0,0|2,0,0]=4 10017 B14R2.4253 O=C(NCCC1CC1)C2CCCC2 240690a_100000764129_100000210718 [0,0,0,2,0,0|2,0,0]=4 10018 B14R2.4253 O=C(NCCC1CC1)C2CCCC2 527a_100000764129_100000210718 [0,0,0,2,0,0|2,0,0]=4 10019 B14R2.4254 O=C(NCC1CCC1)C2CCCC2 11a_100000738700_100000210718 [0,0,0,2,0,0|2,0,0]=4 10020 B14R2.4254 O=C(NCC1CCC1)C2CCCC2 1626a_100000738700_100000210718 [0,0,0,2,0,0|2,0,0]=4 10021 B14R2.4254 O=C(NCC1CCC1)C2CCCC2 240690a_100000738700_100000210718 [0,0,0,2,0,0|2,0,0]=4 10022 B14R2.4254 O=C(NCC1CCC1)C2CCCC2 527a_100000738700_100000210718 [0,0,0,2,0,0|2,0,0]=4 10023 B14R2.4254 O=C(NCC1COC1)C2CCCC2 11a_100015281925_100000210718 [0,0,0,2,0,0|1,1,0]=4 10024 B14R2.4254 O=C(NCC1COC1)C2CCCC2 1626a_100015281925_100000210718 [0,0,0,2,0,0|1,1,0]=4 10025 B14R2.4254 O=C(NCC1COC1)C2CCCC2 240690a_100015281925_100000210718 [0,0,0,2,0,0|1,1,0]=4 10026 B14R2.4254 O=C(NCC1COC1)C2CCCC2 527a_100015281925_100000210718 [0,0,0,2,0,0|1,1,0]=4 10027 B14R2.9631 CSCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_100000212216_200015607011 [0,0,0,2,0,0|2,0,0]=4 10028 B14R2.9631 CSCCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_100000751147 [0,0,0,2,0,0|2,0,0]=4 10029 B14R2.1046 CCC1CC1C(=O)CC2CCCC2 1458a_200011661523_100000740388 [0,0,0,2,0,0|2,0,0]=4 10030 B14R2.1046 CCC1CC1C(=O)CC2CCOC2 1458a_200011661523_100000702531 [0,0,0,2,0,0|1,1,0]=4 10031 B14R2.1046 CCC1CC1C(=O)NC2CCCC2 11a_100000211070_200011661523 [0,0,0,2,0,0|2,0,0]=4 10032 B14R2.1046 CCC1CC1C(=O)NC2CCCC2 1626a_100000211070_200011661523 [0,0,0,2,0,0|2,0,0]=4 10033 B14R2.1046 CCC1CC1C(=O)NC2CCCC2 240690a_100000211070_200011661523 [0,0,0,2,0,0|2,0,0]=4 10034 B14R2.1046 CCC1CC1C(=O)NC2CCCC2 527a_100000211070_200011661523 [0,0,0,2,0,0|2,0,0]=4 10035 B14R2.1046 CCC1CC1C(=O)N[C@@H]2CCOC2 240690a_200015188469_200011661523 [0,0,0,2,0,0|1,1,0]=4 10036 B14R2.1046 CCC1CC1C(=O)N[C@@H]2CCOC2 527a_200015188469_200011661523 [0,0,0,2,0,0|1,1,0]=4 10037 B14R2.1046 CCC1CC1C(=O)N[C@H]2CCOC2 11a_100015188467_200011661523 [0,0,0,2,0,0|1,1,0]=4 10038 B14R2.1046 CCC1CC1C(=O)N[C@H]2CCOC2 1626a_100015188467_200011661523 [0,0,0,2,0,0|1,1,0]=4 10039 B14R2.1046 CCC1CC1C(=O)N[C@H]2CCOC2 240690a_100015188467_200011661523 [0,0,0,2,0,0|1,1,0]=4 10040 B14R2.1046 CCC1CC1C(=O)N[C@H]2CCOC2 527a_100015188467_200011661523 [0,0,0,2,0,0|1,1,0]=4 10041 B14R2.9599 O=C(CCC1CC1)CC2CCCC2 1458a_100000210891_100000694398 [0,0,0,2,0,0|2,0,0]=4 10042 B14R2.9599 O=C(CCC1CC1)CC2CCCC2 1458a_100000756386_100000740388 [0,0,0,2,0,0|2,0,0]=4 10043 B14R2.9599 O=C(CCC1CC1)CC2CCOC2 1458a_100000756386_100000702531 [0,0,0,2,0,0|1,1,0]=4 10044 B14R2.9599 O=C(CCC1CC1)CC2CCOC2 1458a_100011218419_100000694398 [0,0,0,2,0,0|1,1,0]=4 10045 B14R2.9599 O=C(CCC1CC1)NC2CCCC2 11a_100000211070_100000756386 [0,0,0,2,0,0|2,0,0]=4 10046 B14R2.9599 O=C(CCC1CC1)NC2CCCC2 1626a_100000211070_100000756386 [0,0,0,2,0,0|2,0,0]=4 10047 B14R2.9599 O=C(CCC1CC1)NC2CCCC2 240690a_100000211070_100000756386 [0,0,0,2,0,0|2,0,0]=4 10048 B14R2.9599 O=C(CCC1CC1)NC2CCCC2 527a_100000211070_100000756386 [0,0,0,2,0,0|2,0,0]=4 10049 B14R2.9599 O=C(CCC1CC1)N[C@@H]2CCOC2 240690a_200015188469_100000756386 [0,0,0,2,0,0|1,1,0]=4 10050 B14R2.9599 O=C(CCC1CC1)N[C@@H]2CCOC2 527a_200015188469_100000756386 [0,0,0,2,0,0|1,1,0]=4 10051 B14R2.9599 O=C(CCC1CC1)N[C@H]2CCOC2 11a_100015188467_100000756386 [0,0,0,2,0,0|1,1,0]=4 10052 B14R2.9599 O=C(CCC1CC1)N[C@H]2CCOC2 1626a_100015188467_100000756386 [0,0,0,2,0,0|1,1,0]=4 10053 B14R2.9599 O=C(CCC1CC1)N[C@H]2CCOC2 240690a_100015188467_100000756386 [0,0,0,2,0,0|1,1,0]=4 10054 B14R2.9599 O=C(CCC1CC1)N[C@H]2CCOC2 527a_100015188467_100000756386 [0,0,0,2,0,0|1,1,0]=4 10055 B14R2.31918 O=C(CC1CCC1)CC2CCOC2 1458a_100000763092_100000702531 [0,0,0,2,0,0|1,1,0]=4 10056 B14R2.31918 O=C(CC1CCC1)CC2CCOC2 1458a_100011218419_100000763275 [0,0,0,2,0,0|1,1,0]=4 10057 B14R2.31918 O=C(CC1CCC1)NC2CCCC2 11a_100000211070_100000763092 [0,0,0,2,0,0|2,0,0]=4 10058 B14R2.31918 O=C(CC1CCC1)NC2CCCC2 1626a_100000211070_100000763092 [0,0,0,2,0,0|2,0,0]=4 10059 B14R2.31918 O=C(CC1CCC1)NC2CCCC2 240690a_100000211070_100000763092 [0,0,0,2,0,0|2,0,0]=4 10060 B14R2.31918 O=C(CC1CCC1)NC2CCCC2 527a_100000211070_100000763092 [0,0,0,2,0,0|2,0,0]=4 10061 B14R2.31918 O=C(CC1CCC1)N[C@@H]2CCOC2 240690a_200015188469_100000763092 [0,0,0,2,0,0|1,1,0]=4 10062 B14R2.31918 O=C(CC1CCC1)N[C@@H]2CCOC2 527a_200015188469_100000763092 [0,0,0,2,0,0|1,1,0]=4 10063 B14R2.31918 O=C(CC1CCC1)N[C@H]2CCOC2 11a_100015188467_100000763092 [0,0,0,2,0,0|1,1,0]=4 10064 B14R2.31918 O=C(CC1CCC1)N[C@H]2CCOC2 1626a_100015188467_100000763092 [0,0,0,2,0,0|1,1,0]=4 10065 B14R2.31918 O=C(CC1CCC1)N[C@H]2CCOC2 240690a_100015188467_100000763092 [0,0,0,2,0,0|1,1,0]=4 10066 B14R2.31918 O=C(CC1CCC1)N[C@H]2CCOC2 527a_100015188467_100000763092 [0,0,0,2,0,0|1,1,0]=4 10067 B14R2.31918 O=C(CC1CCCC1)CC2CCC2 1458a_100000210891_100000763275 [0,0,0,2,0,0|2,0,0]=4 10068 B14R2.31918 O=C(CC1CCCC1)CC2CCC2 1458a_100000763092_100000740388 [0,0,0,2,0,0|2,0,0]=4 10069 B14R2.32277 CSCC1COC2(O1)CCCCC2 62a_100011219579_200000210301 [0,0,0,2,0,0|0,0,2]=4 10070 B14R2.32277 CSCC1COC2(O1)CCCCC2 62a_200000210301_100011219579 [0,0,0,2,0,0|0,0,2]=4 10071 B14R2.32277 [13CH3]SCC1COC2(O1)CCCCC2 62a_100011219579_200025704644 [0,0,0,2,0,0|0,0,2]=4 10072 B14R2.32277 [13CH3]SCC1COC2(O1)CCCCC2 62a_200025704644_100011219579 [0,0,0,2,0,0|0,0,2]=4 10073 B14R2.1997 CCC1CC1C(=O)N2CCC[C@@H]2C 240690a_100020605311_200011661523 [0,0,0,2,0,0|2,0,0]=4 10074 B14R2.1997 CCC1CC1C(=O)N2CCC[C@@H]2C 527a_100020605311_200011661523 [0,0,0,2,0,0|2,0,0]=4 10075 B14R2.1997 CCC1CC1C(=O)N2CCC[C@H]2C 11a_100015189458_200011661523 [0,0,0,2,0,0|2,0,0]=4 10076 B14R2.1997 CCC1CC1C(=O)N2CCC[C@H]2C 240690a_100015189458_200011661523 [0,0,0,2,0,0|2,0,0]=4 10077 B14R2.1997 CCC1CC1C(=O)N2CCC[C@H]2C 527a_100015189458_200011661523 [0,0,0,2,0,0|2,0,0]=4 10078 B14R2.5218 CC1CCCC1C(=O)CCC2CC2 1458a_100000690547_100000694398 [0,0,0,2,0,0|2,0,0]=4 10079 B14R2.5218 CN1CCC[C@H]1C(=O)CCC2CC2 1458a_100009816429_100000694398 [0,0,0,2,0,0|2,0,0]=4 10080 B14R2.5218 C[C@@H]1CCCN1C(=O)CCC2CC2 11a_100015189458_100000756386 [0,0,0,2,0,0|2,0,0]=4 10081 B14R2.5218 C[C@@H]1CCCN1C(=O)CCC2CC2 240690a_100015189458_100000756386 [0,0,0,2,0,0|2,0,0]=4 10082 B14R2.5218 C[C@@H]1CCCN1C(=O)CCC2CC2 527a_100015189458_100000756386 [0,0,0,2,0,0|2,0,0]=4 10083 B14R2.5218 C[C@H]1CCCN1C(=O)CCC2CC2 240690a_100020605311_100000756386 [0,0,0,2,0,0|2,0,0]=4 10084 B14R2.5218 C[C@H]1CCCN1C(=O)CCC2CC2 527a_100020605311_100000756386 [0,0,0,2,0,0|2,0,0]=4 10085 B14R2.21853 CC1CCCC1C(=O)CC2CCC2 1458a_100000690547_100000763275 [0,0,0,2,0,0|2,0,0]=4 10086 B14R2.21853 CN1CCC[C@H]1C(=O)CC2CCC2 1458a_100009816429_100000763275 [0,0,0,2,0,0|2,0,0]=4 10087 B14R2.21853 C[C@@H]1CCCN1C(=O)CC2CCC2 11a_100015189458_100000763092 [0,0,0,2,0,0|2,0,0]=4 10088 B14R2.21853 C[C@@H]1CCCN1C(=O)CC2CCC2 240690a_100015189458_100000763092 [0,0,0,2,0,0|2,0,0]=4 10089 B14R2.21853 C[C@@H]1CCCN1C(=O)CC2CCC2 527a_100015189458_100000763092 [0,0,0,2,0,0|2,0,0]=4 10090 B14R2.21853 C[C@H]1CCCN1C(=O)CC2CCC2 240690a_100020605311_100000763092 [0,0,0,2,0,0|2,0,0]=4 10091 B14R2.21853 C[C@H]1CCCN1C(=O)CC2CCC2 527a_100020605311_100000763092 [0,0,0,2,0,0|2,0,0]=4 10092 B14R2.13154 CCCCCC(=O)C1CC12CCC2 1458a_100000687150_100000210326 [0,0,0,2,0,0|2,0,0]=4 10093 B14R2.31855 O=C(CCC1CC1)NCC2CCC2 11a_100000738700_100000756386 [0,0,0,2,0,0|2,0,0]=4 10094 B14R2.31855 O=C(CCC1CC1)NCC2CCC2 1626a_100000738700_100000756386 [0,0,0,2,0,0|2,0,0]=4 10095 B14R2.31855 O=C(CCC1CC1)NCC2CCC2 240690a_100000738700_100000756386 [0,0,0,2,0,0|2,0,0]=4 10096 B14R2.31855 O=C(CCC1CC1)NCC2CCC2 527a_100000738700_100000756386 [0,0,0,2,0,0|2,0,0]=4 10097 B14R2.31855 O=C(CCC1CC1)NCC2COC2 11a_100015281925_100000756386 [0,0,0,2,0,0|1,1,0]=4 10098 B14R2.31855 O=C(CCC1CC1)NCC2COC2 1626a_100015281925_100000756386 [0,0,0,2,0,0|1,1,0]=4 10099 B14R2.31855 O=C(CCC1CC1)NCC2COC2 240690a_100015281925_100000756386 [0,0,0,2,0,0|1,1,0]=4 10100 B14R2.31855 O=C(CCC1CC1)NCC2COC2 527a_100015281925_100000756386 [0,0,0,2,0,0|1,1,0]=4 10101 B14R2.38958 CCC1CC1C(=O)NCC2CCC2 11a_100000738700_200011661523 [0,0,0,2,0,0|2,0,0]=4 10102 B14R2.38958 CCC1CC1C(=O)NCC2CCC2 1626a_100000738700_200011661523 [0,0,0,2,0,0|2,0,0]=4 10103 B14R2.38958 CCC1CC1C(=O)NCC2CCC2 240690a_100000738700_200011661523 [0,0,0,2,0,0|2,0,0]=4 10104 B14R2.38958 CCC1CC1C(=O)NCC2CCC2 527a_100000738700_200011661523 [0,0,0,2,0,0|2,0,0]=4 10105 B14R2.38958 CCC1CC1C(=O)NCC2COC2 11a_100015281925_200011661523 [0,0,0,2,0,0|1,1,0]=4 10106 B14R2.38958 CCC1CC1C(=O)NCC2COC2 1626a_100015281925_200011661523 [0,0,0,2,0,0|1,1,0]=4 10107 B14R2.38958 CCC1CC1C(=O)NCC2COC2 240690a_100015281925_200011661523 [0,0,0,2,0,0|1,1,0]=4 10108 B14R2.38958 CCC1CC1C(=O)NCC2COC2 527a_100015281925_200011661523 [0,0,0,2,0,0|1,1,0]=4 10109 B14R2.62969 O=C(CC1CCC1)NCC2CCC2 11a_100000738700_100000763092 [0,0,0,2,0,0|2,0,0]=4 10110 B14R2.62969 O=C(CC1CCC1)NCC2CCC2 1626a_100000738700_100000763092 [0,0,0,2,0,0|2,0,0]=4 10111 B14R2.62969 O=C(CC1CCC1)NCC2CCC2 240690a_100000738700_100000763092 [0,0,0,2,0,0|2,0,0]=4 10112 B14R2.62969 O=C(CC1CCC1)NCC2CCC2 527a_100000738700_100000763092 [0,0,0,2,0,0|2,0,0]=4 10113 B14R2.62969 O=C(CC1CCC1)NCC2COC2 11a_100015281925_100000763092 [0,0,0,2,0,0|1,1,0]=4 10114 B14R2.62969 O=C(CC1CCC1)NCC2COC2 1626a_100015281925_100000763092 [0,0,0,2,0,0|1,1,0]=4 10115 B14R2.62969 O=C(CC1CCC1)NCC2COC2 240690a_100015281925_100000763092 [0,0,0,2,0,0|1,1,0]=4 10116 B14R2.62969 O=C(CC1CCC1)NCC2COC2 527a_100015281925_100000763092 [0,0,0,2,0,0|1,1,0]=4 10117 B14R2.2010 CCC1CC1C(=O)CCCC2CO2 1458a_200011661523_100000733510 [0,0,0,2,0,0|1,1,0]=4 10118 B14R2.2010 CCC1CC1C(=O)NCCC2CC2 1626a_100000764129_200011661523 [0,0,0,2,0,0|2,0,0]=4 10119 B14R2.2010 CCC1CC1C(=O)NCCC2CC2 240690a_100000764129_200011661523 [0,0,0,2,0,0|2,0,0]=4 10120 B14R2.2010 CCC1CC1C(=O)NCCC2CC2 527a_100000764129_200011661523 [0,0,0,2,0,0|2,0,0]=4 10121 B14R2.31865 O=C(CCC1CC1)NCCC2CC2 1626a_100000764129_100000756386 [0,0,0,2,0,0|2,0,0]=4 10122 B14R2.31865 O=C(CCC1CC1)NCCC2CC2 240690a_100000764129_100000756386 [0,0,0,2,0,0|2,0,0]=4 10123 B14R2.31865 O=C(CCC1CC1)NCCC2CC2 527a_100000764129_100000756386 [0,0,0,2,0,0|2,0,0]=4 10124 B14R2.31865 O=C(CCCC1CO1)CCC2CC2 1458a_100000756386_100000733510 [0,0,0,2,0,0|1,1,0]=4 10125 B14R2.62975 O=C(CC1CCC1)NCCC2CC2 1626a_100000764129_100000763092 [0,0,0,2,0,0|2,0,0]=4 10126 B14R2.62975 O=C(CC1CCC1)NCCC2CC2 240690a_100000764129_100000763092 [0,0,0,2,0,0|2,0,0]=4 10127 B14R2.62975 O=C(CC1CCC1)NCCC2CC2 527a_100000764129_100000763092 [0,0,0,2,0,0|2,0,0]=4 10128 B14R2.62975 O=C(CCCC1CO1)CC2CCC2 1458a_100000763092_100000733510 [0,0,0,2,0,0|1,1,0]=4