0 B11R0.180 C#CCC(C)OCCC(C)(C)C 34a_100000685586_100000755188 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.180 C#CCC(C)OCCC(C)(C)C 7a_100000685586_100000755188 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.180 C#CCC(C)OCCC(C)(C)O 34a_100000685586_100000702414 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.180 C#CCC(C)OCCC(C)(C)O 7a_100000685586_100000702414 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.180 C#CCN(C)CCCC(C)(C)O 2230a_100000225692_100009888830 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.180 C#CCN(C)CCCC(C)(C)O 34a_100000225692_100009888830 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.180 C/C=C/C(C)OCCC(C)(C)C 34a_200102604097_100000755188 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.180 C/C=C/C(C)OCCC(C)(C)O 34a_200102604097_100000702414 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.180 C=CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210193 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.180 C=CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210193 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.180 C=CCC(C)COCC(C)(C)C 34a_100009832082_100011219605 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.180 C=CCC(C)COCC(C)(C)F 34a_100009832082_100011997219 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.180 C=CCC(C)COCC(C)(C)O 34a_100009832082_100000764493 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.180 C=CCC(C)COCC(C)(C)O 7a_100009832082_100000764493 [0,0,0,0,0,0|2,0,0]=2 14 B11R0.180 C=CCC(C)COC[Si](C)(C)C 7a_100009832082_100000233785 [0,0,0,0,0,0|3,1,0]=4 15 B11R0.180 C=CCN(C)CCCC(C)(C)O 2230a_100000225617_100009888830 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.180 C=CCN(C)CCCC(C)(C)O 269982a_100000225617_100009888830 [0,0,0,0,0,0|2,0,0]=2 17 B11R0.180 C=CCN(C)CCC[N+](C)(C)C 2230a_100000225617_100016990835 [0,0,0,0,0,0|4,0,0]=4 18 B11R0.180 C=CCN(C)CCC[N+](C)(C)C 269982a_100000225617_100016990835 [0,0,0,0,0,0|4,0,0]=4 19 B11R0.180 C=CCN(C)CCC[Si](C)(C)C 2230a_100000225617_100011219597 [0,0,0,0,0,0|3,1,0]=4 20 B11R0.180 C=CCN(C)CCC[Si](C)(C)C 269982a_100000225617_100011219597 [0,0,0,0,0,0|3,1,0]=4 21 B11R0.180 C=CCN(C)CCOC(C)(C)C 2230a_100000690421_100000210623 [0,0,0,0,0,0|4,0,0]=4 22 B11R0.180 C=CCN(C)CCOC(C)(C)C 269982a_100000690421_100000210623 [0,0,0,0,0,0|4,0,0]=4 23 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)C 34a_100000731007_100000755188 [0,0,0,0,0,0|3,0,0]=3 24 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)C 7a_100000731007_100000755188 [0,0,0,0,0,0|3,0,0]=3 25 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O 34a_100000731007_100000702414 [0,0,0,0,0,0|2,0,0]=2 26 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O 7a_100000731007_100000702414 [0,0,0,0,0,0|2,0,0]=2 27 B11R0.180 C=CC[C@@H](C)OCC[N+](C)(C)C 34a_100000731007_100000085578 [0,0,0,0,0,0|4,0,0]=4 28 B11R0.180 C=CC[C@@H](C)OCC[N+](C)(C)C 7a_100000731007_100000085578 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.180 C=CC[C@@H](C)OCC[Si](C)(C)C 34a_100000731007_200000733723 [0,0,0,0,0,0|3,1,0]=4 30 B11R0.180 C=CC[C@@H](C)OCC[Si](C)(C)C 7a_100000731007_200000733723 [0,0,0,0,0,0|3,1,0]=4 31 B11R0.180 C=CC[C@@H](N)COCC(C)(C)C 34a_100020615467_100011219605 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.180 C=CC[C@@H](N)COCC(C)(C)F 34a_100020615467_100011997219 [0,0,0,0,0,0|4,0,0]=4 33 B11R0.180 C=CC[C@@H](N)COCC(C)(C)O 34a_100020615467_100000764493 [0,0,0,0,0,0|3,0,0]=3 34 B11R0.180 CC#CC(C)OCCC(C)(C)O 34a_100011216543_100000702414 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.180 CC(C)(O)CNC[C@@H](O)CC#N 2230a_100000751335_100000001066 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.180 CC(C)(O)CSC[C@@H](O)CC#N 62a_100000001066_100000764493 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.180 CC(C)(O)CSC[C@@H](O)CC#N 62a_100000764493_100000001066 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.180 CC(CC#N)NCCC(C)(C)C 2230a_100000738805_100009813641 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.180 CC(CC#N)NCCC(C)(C)F 2230a_100016253952_100009813641 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.180 CC(CC#N)OCCC(C)(C)C 7a_100000765024_100009813641 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.180 CC(CC#N)SCCC(C)(C)C 62a_100000755188_100009813641 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.180 CC(CC#N)SCCC(C)(C)C 62a_100009813641_100000755188 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.180 CC(CC#N)SCCC(C)(C)O 62a_100000702414_100009813641 [0,0,0,0,0,0|2,0,1]=3 44 B11R0.180 CC(CC#N)SCCC(C)(C)O 62a_100009813641_100000702414 [0,0,0,0,0,0|2,0,1]=3 45 B11R0.180 CC(CCBr)OCCC(C)(C)C 34a_100012276601_100000755188 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.180 CC(CCBr)OCCC(C)(C)O 34a_100012276601_100000702414 [0,0,0,0,0,0|2,0,1]=3 47 B11R0.180 CC(CCN)COCC(C)(C)C 34a_106354213184_100011219605 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.180 CC(CCN)COCC(C)(C)F 34a_106354213184_100011997219 [0,0,0,0,0,0|3,0,1]=4 49 B11R0.180 CC(CCN)COCC(C)(C)O 34a_106354213184_100000764493 [0,0,0,0,0,0|2,0,1]=3 50 B11R0.180 CC(CCO)NCCC(C)(C)C 2230a_100000738805_100009893172 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.180 CC(CCO)NCCC(C)(C)F 2230a_100016253952_100009893172 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.180 CC(CCO)OCCC(C)(C)C 7a_100000765024_100009893172 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.180 CC(CCO)SCCC(C)(C)C 62a_100000755188_100009893172 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.180 CC(CCO)SCCC(C)(C)C 62a_100009893172_100000755188 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100000702414_100009893172 [0,0,0,0,0,0|1,0,2]=3 56 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100009893172_100000702414 [0,0,0,0,0,0|1,0,2]=3 57 B11R0.180 CCCC(C)CCOC(C)(C)C 34a_100011217855_100000210625 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.180 CCCC(C)CNCC(C)(C)C 2230a_100000743828_100011216630 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.180 CCCC(C)CNCC(C)(C)C 270004a_100000743828_100000243154 [0,0,0,0,0,0|3,0,1]=4 60 B11R0.180 CCCC(C)CNCC(C)(C)F 2230a_100020643315_100011216630 [0,0,0,0,0,0|3,0,1]=4 61 B11R0.180 CCCC(C)CNCC(C)(C)F 270004a_100020643315_100000243154 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.180 CCCC(C)CNCC(C)(C)O 2230a_100000751335_100011216630 [0,0,0,0,0,0|2,0,1]=3 63 B11R0.180 CCCC(C)CNCC(C)(C)O 270004a_100000751335_100000243154 [0,0,0,0,0,0|2,0,1]=3 64 B11R0.180 CCCC(C)COCC(C)(C)C 34a_100000688023_100011219605 [0,0,0,0,0,0|3,0,1]=4 65 B11R0.180 CCCC(C)COCC(C)(C)F 34a_100000688023_100011997219 [0,0,0,0,0,0|3,0,1]=4 66 B11R0.180 CCCC(C)COCC(C)(C)F 34a_100000716592_100011216630 [0,0,0,0,0,0|3,0,1]=4 67 B11R0.180 CCCC(C)COCC(C)(C)O 34a_100000688023_100000764493 [0,0,0,0,0,0|2,0,1]=3 68 B11R0.180 CCCC(C)COCC(C)(C)O 7a_100000688023_100000764493 [0,0,0,0,0,0|2,0,1]=3 69 B11R0.180 CCCC(C)CSCC(C)(C)C 62a_100011216630_100011219605 [0,0,0,0,0,0|3,0,1]=4 70 B11R0.180 CCCC(C)CSCC(C)(C)C 62a_100011219605_100011216630 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.180 CCCC(C)CSCC(C)(C)F 62a_100011216630_100011997219 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.180 CCCC(C)CSCC(C)(C)F 62a_100011997219_100011216630 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.180 CCCC(C)CSCC(C)(C)O 62a_100000764493_100011216630 [0,0,0,0,0,0|2,0,1]=3 74 B11R0.180 CCCC(C)CSCC(C)(C)O 62a_100011216630_100000764493 [0,0,0,0,0,0|2,0,1]=3 75 B11R0.180 CCCC(C)NCCC(C)(C)C 2230a_100000738805_100000766640 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.180 CCCC(C)NCCC(C)(C)C 2230a_100000741246_100000755188 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.180 CCCC(C)NCCC(C)(C)C 270004a_100000738805_100000211909 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.180 CCCC(C)NCCC(C)(C)F 2230a_100016253952_100000766640 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.180 CCCC(C)NCCC(C)(C)F 270004a_100016253952_100000211909 [0,0,0,0,0,0|3,0,1]=4 80 B11R0.180 CCCC(C)NCCC(C)(C)O 2230a_100000741246_100000702414 [0,0,0,0,0,0|2,0,1]=3 81 B11R0.180 CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000211909 [0,0,0,0,0,0|2,0,1]=3 82 B11R0.180 CCCC(C)OCCC(C)(C)C 34a_100000764384_100000755188 [0,0,0,0,0,0|3,0,1]=4 83 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000764384_100000755188 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.180 CCCC(C)OCCC(C)(C)C 7a_100000765024_100000766640 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.180 CCCC(C)OCCC(C)(C)O 34a_100000764384_100000702414 [0,0,0,0,0,0|2,0,1]=3 86 B11R0.180 CCCC(C)OCCC(C)(C)O 7a_100000764384_100000702414 [0,0,0,0,0,0|2,0,1]=3 87 B11R0.180 CCCC(C)SCCC(C)(C)C 62a_100000755188_100000766640 [0,0,0,0,0,0|3,0,1]=4 88 B11R0.180 CCCC(C)SCCC(C)(C)C 62a_100000766640_100000755188 [0,0,0,0,0,0|3,0,1]=4 89 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000702414_100000766640 [0,0,0,0,0,0|2,0,1]=3 90 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000766640_100000702414 [0,0,0,0,0,0|2,0,1]=3 91 B11R0.180 CCCN(C)CCCC(C)(C)O 2230a_100000747261_100009888830 [0,0,0,0,0,0|2,0,1]=3 92 B11R0.180 CCCN(C)CCCC(C)(C)O 269982a_100000747261_100009888830 [0,0,0,0,0,0|2,0,1]=3 93 B11R0.180 CCC[C@H](N)COCC(C)(C)O 34a_100000732646_100000764493 [0,0,0,0,0,0|3,0,1]=4 94 B11R0.180 CN(CC#N)CCCC(C)(C)O 2230a_100000748184_100009888830 [0,0,0,0,0,0|2,0,1]=3 95 B11R0.180 CN(CC=O)CCOC(C)(C)C 2230a_100000690421_200015260668 [0,0,0,0,0,0|3,0,0]=3 96 B11R0.180 CN(CC=O)CCOC(C)(C)C 269982a_100000690421_200015260668 [0,0,0,0,0,0|3,0,0]=3 97 B11R0.180 CN(CCO)CCCC(C)(C)O 2230a_100000210263_100009888830 [0,0,0,0,0,0|1,0,2]=3 98 B11R0.180 CN(CCO)CCCC(C)(C)O 269982a_100000210263_100009888830 [0,0,0,0,0,0|1,0,2]=3 99 B11R0.180 COCC(C)NCCC(C)(C)C 2230a_100000738805_100000765312 [0,0,0,0,0,0|4,0,0]=4 100 B11R0.180 COCC(C)NCCC(C)(C)C 270004a_100000738805_100000749346 [0,0,0,0,0,0|4,0,0]=4 101 B11R0.180 COCC(C)NCCC(C)(C)F 2230a_100016253952_100000765312 [0,0,0,0,0,0|4,0,0]=4 102 B11R0.180 COCC(C)NCCC(C)(C)F 270004a_100016253952_100000749346 [0,0,0,0,0,0|4,0,0]=4 103 B11R0.180 COCC(C)NCCC(C)(C)O 270004a_100000707701_100000749346 [0,0,0,0,0,0|3,0,0]=3 104 B11R0.180 COCC(C)OCCC(C)(C)C 7a_100000765024_100000765312 [0,0,0,0,0,0|4,0,0]=4 105 B11R0.180 COCC(C)SCCC(C)(C)C 62a_100000755188_100000765312 [0,0,0,0,0,0|4,0,0]=4 106 B11R0.180 COCC(C)SCCC(C)(C)C 62a_100000765312_100000755188 [0,0,0,0,0,0|4,0,0]=4 107 B11R0.180 COCC(C)SCCC(C)(C)O 62a_100000702414_100000765312 [0,0,0,0,0,0|3,0,0]=3 108 B11R0.180 COCC(C)SCCC(C)(C)O 62a_100000765312_100000702414 [0,0,0,0,0,0|3,0,0]=3 109 B11R0.180 COCC(N)COCC(C)(C)O 34a_100000724102_100000764493 [0,0,0,0,0,0|4,0,0]=4 110 B11R0.180 COCC(O)CNCC(C)(C)O 34a_100000756049_100000764493 [0,0,0,0,0,0|4,0,0]=4 111 B11R0.180 COCC(O)CSCC(C)(C)O 62a_100000764493_100011215053 [0,0,0,0,0,0|4,0,0]=4 112 B11R0.180 COCC(O)CSCC(C)(C)O 62a_100011215053_100000764493 [0,0,0,0,0,0|4,0,0]=4 113 B11R0.180 COC[C@@H](C)NCCC(C)(C)C 2230a_100000764878_100000755188 [0,0,0,0,0,0|4,0,0]=4 114 B11R0.180 COC[C@@H](C)NCCC(C)(C)O 2230a_100000764878_100000702414 [0,0,0,0,0,0|3,0,0]=3 115 B11R0.180 COC[C@@H](C)OCCC(C)(C)C 34a_100011934205_100000755188 [0,0,0,0,0,0|4,0,0]=4 116 B11R0.180 COC[C@@H](C)OCCC(C)(C)O 34a_100011934205_100000702414 [0,0,0,0,0,0|3,0,0]=3 117 B11R0.180 CSCC(C)NCCC(C)(C)C 270004a_100000738805_100011216314 [0,0,0,0,0,0|4,0,0]=4 118 B11R0.180 CSCC(C)NCCC(C)(C)F 270004a_100016253952_100011216314 [0,0,0,0,0,0|4,0,0]=4 119 B11R0.180 CSCC(C)NCCC(C)(C)O 270004a_100000707701_100011216314 [0,0,0,0,0,0|3,0,0]=3 120 B11R0.180 C[C@@H](CC#N)NCCC(C)(C)C 2230a_100016994482_100000755188 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.180 C[C@@H](CC#N)NCCC(C)(C)O 2230a_100016994482_100000702414 [0,0,0,0,0,0|2,0,1]=3 122 B11R0.180 C[C@H](CCO)NCCC(C)(C)C 2230a_100000706166_100000755188 [0,0,0,0,0,0|2,0,2]=4 123 B11R0.180 C[C@H](CCO)NCCC(C)(C)C 34a_100000706166_100000755188 [0,0,0,0,0,0|2,0,2]=4 124 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 2230a_100000706166_100000702414 [0,0,0,0,0,0|1,0,2]=3 125 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 34a_100000706166_100000702414 [0,0,0,0,0,0|1,0,2]=3 126 B10R0.3 C#CCC(C)OCCC(C)C 34a_100000685586_100000210312 [1,0,0,0,0,0|2,0,1]=4 127 B10R0.3 C#CCC(C)OCCC(C)C 7a_100000685586_100000210626 [1,0,0,0,0,0|2,0,1]=4 128 B10R0.3 C#CCC(C)OCCC(C)O 34a_100000685586_100012276601 [1,0,0,0,0,0|2,0,1]=4 129 B10R0.3 C#CCC(C)OCCC(C)O 7a_100000685586_100012276601 [1,0,0,0,0,0|2,0,1]=4 130 B10R0.3 C#CCN(C)CCCC(C)C 2230a_100000225692_100011214892 [1,0,0,0,0,0|2,0,1]=4 131 B10R0.3 C#CCN(C)CCCC(C)C 34a_100000225692_100011214892 [1,0,0,0,0,0|2,0,1]=4 132 B10R0.3 C#CCN(C)CCCC(C)O 2230a_100000225692_200000718107 [1,0,0,0,0,0|2,0,1]=4 133 B10R0.3 C#CCN(C)CCCC(C)O 34a_100000225692_200000718107 [1,0,0,0,0,0|2,0,1]=4 134 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [1,0,0,0,0,0|2,0,1]=4 135 B10R0.3 C/C=C/C(C)OCCC(C)O 34a_200102604097_100012276601 [1,0,0,0,0,0|2,0,1]=4 136 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [1,0,0,0,0,0|2,0,1]=4 137 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [1,0,0,0,0,0|2,0,1]=4 138 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [1,0,0,0,0,0|2,0,1]=4 139 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [1,0,0,0,0,0|2,0,0]=3 140 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [1,0,0,0,0,0|2,0,0]=3 141 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [1,0,0,0,0,0|2,0,0]=3 142 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [1,0,0,0,0,0|2,0,0]=3 143 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [1,0,0,0,0,0|2,0,0]=3 144 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [1,0,0,0,0,0|2,0,0]=3 145 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [1,0,0,0,0,0|2,0,0]=3 146 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [1,0,0,0,0,0|2,0,0]=3 147 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [1,0,0,0,0,0|2,0,0]=3 148 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [1,0,0,0,0,0|2,0,0]=3 149 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225617_100000757444 [1,0,0,0,0,0|3,0,0]=4 150 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225831_100000210623 [1,0,0,0,0,0|3,0,0]=4 151 B10R0.3 C=CCN(C)CCOC(C)C 2230a_100000225617_100000211751 [1,0,0,0,0,0|3,0,0]=4 152 B10R0.3 C=CCN(C)CCOC(C)C 269982a_100000225617_100000211751 [1,0,0,0,0,0|3,0,0]=4 153 B10R0.3 C=CCN(C)CCSC(C)C 2230a_100000225617_100000730970 [1,0,0,0,0,0|3,0,0]=4 154 B10R0.3 C=CCN(C)CCSC(C)C 269982a_100000225617_100000730970 [1,0,0,0,0,0|3,0,0]=4 155 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [1,0,0,0,0,0|2,0,0]=3 156 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [1,0,0,0,0,0|2,0,0]=3 157 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [1,0,0,0,0,0|2,0,0]=3 158 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [1,0,0,0,0,0|2,0,0]=3 159 B10R0.3 C=CC[C@@H](C)OCCN(C)C 7a_100000731007_100000755713 [1,0,0,0,0,0|3,0,0]=4 160 B10R0.3 C=CC[C@@H](C)OCOC(C)C 34a_100000731007_100000709892 [1,0,0,0,0,0|3,0,0]=4 161 B10R0.3 C=CC[C@@H](N)COCC(C)C 34a_100020615467_100000210624 [1,0,0,0,0,0|3,0,0]=4 162 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [1,0,0,0,0,0|3,0,0]=4 163 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [1,0,0,0,0,0|3,0,0]=4 164 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [1,0,0,0,0,0|2,0,1]=4 165 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [1,0,0,0,0,0|2,0,1]=4 166 B10R0.3 CC(C)CCCN(C)CC#N 2230a_100000748184_100011214892 [1,0,0,0,0,0|2,0,1]=4 167 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [1,0,0,0,0,0|1,0,2]=4 168 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [1,0,0,0,0,0|1,0,2]=4 169 B10R0.3 CC(C)CCN[C@@H](C)CC#N 2230a_100016994482_100000210312 [1,0,0,0,0,0|2,0,1]=4 170 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [1,0,0,0,0,0|1,0,2]=4 171 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [1,0,0,0,0,0|1,0,2]=4 172 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [1,0,0,0,0,0|1,0,2]=4 173 B10R0.3 CC(C)CCOC(C)CC#N 7a_100000210254_100009813641 [1,0,0,0,0,0|2,0,1]=4 174 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [1,0,0,0,0,0|2,0,1]=4 175 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [1,0,0,0,0,0|1,0,2]=4 176 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [1,0,0,0,0,0|1,0,2]=4 177 B10R0.3 CC(C)CCSC(C)CC#N 62a_100000210312_100009813641 [1,0,0,0,0,0|2,0,1]=4 178 B10R0.3 CC(C)CCSC(C)CC#N 62a_100009813641_100000210312 [1,0,0,0,0,0|2,0,1]=4 179 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [1,0,0,0,0,0|1,0,2]=4 180 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [1,0,0,0,0,0|1,0,2]=4 181 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [1,0,0,0,0,0|2,0,1]=4 182 B10R0.3 CC(CCN)COC[C@@H](C)O 34a_106354213184_100009817552 [1,0,0,0,0,0|2,0,1]=4 183 B10R0.3 CC(O)CCCN(C)CC#N 2230a_100000748184_200000718107 [1,0,0,0,0,0|2,0,1]=4 184 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [1,0,0,0,0,0|1,0,2]=4 185 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [1,0,0,0,0,0|1,0,2]=4 186 B10R0.3 CC(O)CCNC(C)CC#N 2230a_200000755665_100009813641 [1,0,0,0,0,0|2,0,1]=4 187 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [1,0,0,0,0,0|1,0,2]=4 188 B10R0.3 CC(O)CCN[C@@H](C)CC#N 2230a_100016994482_100012276601 [1,0,0,0,0,0|2,0,1]=4 189 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [1,0,0,0,0,0|1,0,2]=4 190 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [1,0,0,0,0,0|1,0,2]=4 191 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [1,0,0,0,0,0|2,0,1]=4 192 B10R0.3 CC(O)CCSC(C)CC#N 62a_100009813641_100012276601 [1,0,0,0,0,0|2,0,1]=4 193 B10R0.3 CC(O)CCSC(C)CC#N 62a_100012276601_100009813641 [1,0,0,0,0,0|2,0,1]=4 194 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [1,0,0,0,0,0|1,0,2]=4 195 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [1,0,0,0,0,0|1,0,2]=4 196 B10R0.3 CC(O)COCC(C)CCN 34a_106354213184_100011218427 [1,0,0,0,0,0|2,0,1]=4 197 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [1,0,0,0,0,0|2,0,1]=4 198 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [1,0,0,0,0,0|2,0,1]=4 199 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [1,0,0,0,0,0|2,0,1]=4 200 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [1,0,0,0,0,0|2,0,1]=4 201 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [1,0,0,0,0,0|2,0,1]=4 202 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [1,0,0,0,0,0|2,0,1]=4 203 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [1,0,0,0,0,0|2,0,1]=4 204 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [1,0,0,0,0,0|2,0,1]=4 205 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [1,0,0,0,0,0|2,0,1]=4 206 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [1,0,0,0,0,0|2,0,1]=4 207 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [1,0,0,0,0,0|2,0,1]=4 208 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [1,0,0,0,0,0|2,0,1]=4 209 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [1,0,0,0,0,0|2,0,1]=4 210 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [1,0,0,0,0,0|2,0,1]=4 211 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [1,0,0,0,0,0|2,0,1]=4 212 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [1,0,0,0,0,0|2,0,1]=4 213 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [1,0,0,0,0,0|2,0,1]=4 214 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [1,0,0,0,0,0|2,0,1]=4 215 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [1,0,0,0,0,0|2,0,1]=4 216 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [1,0,0,0,0,0|2,0,1]=4 217 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [1,0,0,0,0,0|2,0,1]=4 218 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [1,0,0,0,0,0|2,0,1]=4 219 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [1,0,0,0,0,0|2,0,1]=4 220 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [1,0,0,0,0,0|2,0,1]=4 221 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [1,0,0,0,0,0|2,0,1]=4 222 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [1,0,0,0,0,0|2,0,1]=4 223 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [1,0,0,0,0,0|2,0,1]=4 224 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [1,0,0,0,0,0|2,0,1]=4 225 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [1,0,0,0,0,0|2,0,1]=4 226 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [1,0,0,0,0,0|2,0,1]=4 227 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [1,0,0,0,0,0|2,0,1]=4 228 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [1,0,0,0,0,0|2,0,1]=4 229 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [1,0,0,0,0,0|2,0,1]=4 230 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [1,0,0,0,0,0|2,0,1]=4 231 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [1,0,0,0,0,0|2,0,1]=4 232 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [1,0,0,0,0,0|2,0,1]=4 233 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [1,0,0,0,0,0|2,0,1]=4 234 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [1,0,0,0,0,0|2,0,1]=4 235 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [1,0,0,0,0,0|2,0,1]=4 236 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [1,0,0,0,0,0|2,0,1]=4 237 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [1,0,0,0,0,0|2,0,1]=4 238 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [1,0,0,0,0,0|2,0,1]=4 239 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [1,0,0,0,0,0|2,0,1]=4 240 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [1,0,0,0,0,0|2,0,1]=4 241 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [1,0,0,0,0,0|2,0,1]=4 242 B10R0.3 CN(C)CCCN(C)CC=O 269982a_100000225831_200015260668 [1,0,0,0,0,0|2,0,0]=3 243 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [1,0,0,0,0,0|2,0,1]=4 244 B10R0.3 COCC(C)NCCC(C)C 270004a_100000210545_100000749346 [1,0,0,0,0,0|3,0,0]=4 245 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [1,0,0,0,0,0|3,0,0]=4 246 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [1,0,0,0,0,0|3,0,0]=4 247 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [1,0,0,0,0,0|3,0,0]=4 248 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [1,0,0,0,0,0|3,0,0]=4 249 B10R0.3 COCC(C)SCCC(C)C 62a_100000210312_100000765312 [1,0,0,0,0,0|3,0,0]=4 250 B10R0.3 COCC(C)SCCC(C)C 62a_100000765312_100000210312 [1,0,0,0,0,0|3,0,0]=4 251 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [1,0,0,0,0,0|3,0,0]=4 252 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [1,0,0,0,0,0|3,0,0]=4 253 B10R0.3 COC[C@@H](C)NCCC(C)C 2230a_100000764878_100000210312 [1,0,0,0,0,0|3,0,0]=4 254 B10R0.3 COC[C@@H](C)NCCC(C)C 269862a_100000764878_100000185833 [1,0,0,0,0,0|3,0,0]=4 255 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [1,0,0,0,0,0|3,0,0]=4 256 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [1,0,0,0,0,0|3,0,0]=4 257 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [1,0,0,0,0,0|3,0,0]=4 258 B10R0.3 CSCC(C)NCCC(C)C 270004a_100000210545_100011216314 [1,0,0,0,0,0|3,0,0]=4 259 B10R0.3 CSCC(C)NCCC(C)O 270004a_200000755665_100011216314 [1,0,0,0,0,0|3,0,0]=4 260 B10R0.22 C#CCCCNCC(C)(C)O 2230a_100000751335_100000731252 [1,0,0,0,0,0|2,0,1]=4 261 B10R0.22 C#CCCCNCC(C)(C)O 34a_100000718082_100000764493 [1,0,0,0,0,0|2,0,1]=4 262 B10R0.22 C#CCCCOCC(C)(C)O 34a_100000215630_100000764493 [1,0,0,0,0,0|2,0,1]=4 263 B10R0.22 C#CCCCOCC(C)(C)O 7a_100000215630_100000764493 [1,0,0,0,0,0|2,0,1]=4 264 B10R0.22 C#CCCCSCC(C)(C)O 62a_100000764493_100011215417 [1,0,0,0,0,0|2,0,1]=4 265 B10R0.22 C#CCCCSCC(C)(C)O 62a_100011215417_100000764493 [1,0,0,0,0,0|2,0,1]=4 266 B10R0.22 C#CCCNCCC(C)(C)O 34a_100000755551_100000702414 [1,0,0,0,0,0|2,0,1]=4 267 B10R0.22 C#CCCOCCC(C)(C)O 34a_100011215631_100000702414 [1,0,0,0,0,0|2,0,1]=4 268 B10R0.22 C#CCCSCCC(C)(C)O 62a_100000688953_100000702414 [1,0,0,0,0,0|2,0,1]=4 269 B10R0.22 C#CCCSCCC(C)(C)O 62a_100000702414_100000688953 [1,0,0,0,0,0|2,0,1]=4 270 B10R0.22 C#CCNCCCC(C)(C)O 34a_100000212058_100009888830 [1,0,0,0,0,0|2,0,1]=4 271 B10R0.22 C#CCOCCCC(C)(C)O 34a_100000210247_100009888830 [1,0,0,0,0,0|2,0,1]=4 272 B10R0.22 C#CCSCCCC(C)(C)O 62a_100000038162_100009888830 [1,0,0,0,0,0|2,0,1]=4 273 B10R0.22 C/C=C/CCOCC(C)(C)O 34a_100016278192_100000764493 [1,0,0,0,0,0|2,0,1]=4 274 B10R0.22 C/C=C/COCCC(C)(C)O 34a_100016270725_100000702414 [1,0,0,0,0,0|2,0,1]=4 275 B10R0.22 C/C=C/CSCCC(C)(C)O 62a_100000702414_100102629194 [1,0,0,0,0,0|2,0,1]=4 276 B10R0.22 C/C=C/CSCCC(C)(C)O 62a_100102629194_100000702414 [1,0,0,0,0,0|2,0,1]=4 277 B10R0.22 C=CCCCCNC(C)(C)C 2230a_100000715429_100011215482 [1,0,0,0,0,0|3,0,0]=4 278 B10R0.22 C=CCCCCNC(C)(C)C 34a_100000703577_100000210625 [1,0,0,0,0,0|3,0,0]=4 279 B10R0.22 C=CCCCCOC(C)(C)C 34a_100000766645_100000210625 [1,0,0,0,0,0|3,0,0]=4 280 B10R0.22 C=CCCCCOC(C)(C)C 34a_100015890283_100011215482 [1,0,0,0,0,0|3,0,0]=4 281 B10R0.22 C=CCCCCOC(C)(C)C 7a_100015890283_100011215482 [1,0,0,0,0,0|3,0,0]=4 282 B10R0.22 C=CCCCCSC(C)(C)C 62a_100000211941_100011215482 [1,0,0,0,0,0|3,0,0]=4 283 B10R0.22 C=CCCCCSC(C)(C)C 62a_100011215482_100000211941 [1,0,0,0,0,0|3,0,0]=4 284 B10R0.22 C=CCCCNCC(C)(C)C 2230a_100000743828_100011713584 [1,0,0,0,0,0|3,0,0]=4 285 B10R0.22 C=CCCCNCC(C)(C)C 270004a_100000700776_100011204126 [1,0,0,0,0,0|3,0,0]=4 286 B10R0.22 C=CCCCNCC(C)(C)C 34a_100000700776_100011219605 [1,0,0,0,0,0|3,0,0]=4 287 B10R0.22 C=CCCCNCC(C)(C)F 2230a_100020643315_100011713584 [1,0,0,0,0,0|3,0,0]=4 288 B10R0.22 C=CCCCNCC(C)(C)F 34a_100000700776_100011997219 [1,0,0,0,0,0|3,0,0]=4 289 B10R0.22 C=CCCCNCC(C)(C)O 2230a_100000751335_100011713584 [1,0,0,0,0,0|2,0,0]=3 290 B10R0.22 C=CCCCNCC(C)(C)O 34a_100000700776_100000764493 [1,0,0,0,0,0|2,0,0]=3 291 B10R0.22 C=CCCCOCC(C)(C)C 34a_100000758997_100011219605 [1,0,0,0,0,0|3,0,0]=4 292 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000716592_100000757094 [1,0,0,0,0,0|3,0,0]=4 293 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000758997_100011997219 [1,0,0,0,0,0|3,0,0]=4 294 B10R0.22 C=CCCCOCC(C)(C)O 34a_100000758997_100000764493 [1,0,0,0,0,0|2,0,0]=3 295 B10R0.22 C=CCCCOCC(C)(C)O 7a_100000758997_100000764493 [1,0,0,0,0,0|2,0,0]=3 296 B10R0.22 C=CCCCSCC(C)(C)C 62a_100011219605_100000757094 [1,0,0,0,0,0|3,0,0]=4 297 B10R0.22 C=CCCCSCC(C)(C)C 62a_100011713584_100011219605 [1,0,0,0,0,0|3,0,0]=4 298 B10R0.22 C=CCCCSCC(C)(C)F 62a_100011713584_100011997219 [1,0,0,0,0,0|3,0,0]=4 299 B10R0.22 C=CCCCSCC(C)(C)F 62a_100011997219_100000757094 [1,0,0,0,0,0|3,0,0]=4 300 B10R0.22 C=CCCCSCC(C)(C)O 62a_100000764493_100000757094 [1,0,0,0,0,0|2,0,0]=3 301 B10R0.22 C=CCCCSCC(C)(C)O 62a_100011713584_100000764493 [1,0,0,0,0,0|2,0,0]=3 302 B10R0.22 C=CCCNCCC(C)(C)C 2230a_100000738805_100000754431 [1,0,0,0,0,0|3,0,0]=4 303 B10R0.22 C=CCCNCCC(C)(C)C 2230a_100015191253_100000755188 [1,0,0,0,0,0|3,0,0]=4 304 B10R0.22 C=CCCNCCC(C)(C)F 2230a_100016253952_100000754431 [1,0,0,0,0,0|3,0,0]=4 305 B10R0.22 C=CCCNCCC(C)(C)O 2230a_100015191253_100000702414 [1,0,0,0,0,0|2,0,0]=3 306 B10R0.22 C=CCCOCCC(C)(C)C 34a_100011205117_100000755188 [1,0,0,0,0,0|3,0,0]=4 307 B10R0.22 C=CCCOCCC(C)(C)C 7a_100000765024_100000754431 [1,0,0,0,0,0|3,0,0]=4 308 B10R0.22 C=CCCOCCC(C)(C)O 34a_100011205117_100000702414 [1,0,0,0,0,0|2,0,0]=3 309 B10R0.22 C=CCCSCCC(C)(C)C 62a_100000754431_100000755188 [1,0,0,0,0,0|3,0,0]=4 310 B10R0.22 C=CCCSCCC(C)(C)C 62a_100000755188_100000754431 [1,0,0,0,0,0|3,0,0]=4 311 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000702414_100000754431 [1,0,0,0,0,0|2,0,0]=3 312 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000754431_100000702414 [1,0,0,0,0,0|2,0,0]=3 313 B10R0.22 C=CCNCCCC(C)(C)O 2230a_100020586998_100009888830 [1,0,0,0,0,0|2,0,0]=3 314 B10R0.22 C=CCOCCCC(C)(C)O 34a_200000210373_100009888830 [1,0,0,0,0,0|2,0,0]=3 315 B10R0.22 C=CCSCCCC(C)(C)O 62a_100000210623_100009888830 [1,0,0,0,0,0|2,0,0]=3 316 B10R0.22 C=CCSCCCC(C)(C)O 62a_100009888830_100000210623 [1,0,0,0,0,0|2,0,0]=3 317 B10R0.22 C=COCCNCC(C)(C)O 2230a_100000751335_100000039644 [1,0,0,0,0,0|3,0,0]=4 318 B10R0.22 C=COCCOCC(C)(C)O 34a_100000033082_100000764493 [1,0,0,0,0,0|3,0,0]=4 319 B10R0.22 C=COCCSCC(C)(C)O 62a_100000039644_100000764493 [1,0,0,0,0,0|3,0,0]=4 320 B10R0.22 C=COCCSCC(C)(C)O 62a_100000764493_100000039644 [1,0,0,0,0,0|3,0,0]=4 321 B10R0.22 CC(C)(C)CNCCCC=O 2230a_100000743828_200011292268 [1,0,0,0,0,0|2,0,0]=3 322 B10R0.22 CC(C)(C)CSCCCC=O 62a_100011219605_200011292268 [1,0,0,0,0,0|2,0,0]=3 323 B10R0.22 CC(C)(C)CSCCCC=O 62a_200011292268_100011219605 [1,0,0,0,0,0|2,0,0]=3 324 B10R0.22 CC(C)(C)NCCCCC=O 2230a_100000715429_100000139335 [1,0,0,0,0,0|2,0,0]=3 325 B10R0.22 CC(C)(C)OCCCCC=O 7a_100015890283_100000139335 [1,0,0,0,0,0|2,0,0]=3 326 B10R0.22 CC(C)(C)OCCNCC=O 2230a_100000747557_200015260668 [1,0,0,0,0,0|3,0,0]=4 327 B10R0.22 CC(C)(C)OCCOCC=O 34a_100000693234_200009817547 [1,0,0,0,0,0|3,0,0]=4 328 B10R0.22 CC(C)(C)OCCOCC=O 7a_100000693234_200015260668 [1,0,0,0,0,0|3,0,0]=4 329 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000139335_100000211941 [1,0,0,0,0,0|2,0,0]=3 330 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000211941_100000139335 [1,0,0,0,0,0|2,0,0]=3 331 B10R0.22 CC(C)(C)SCCNCC=O 2230a_100000689375_200015260668 [1,0,0,0,0,0|3,0,0]=4 332 B10R0.22 CC(C)(F)CNCCCC=O 2230a_100020643315_200011292268 [1,0,0,0,0,0|2,0,0]=3 333 B10R0.22 CC(C)(F)CSCCCC=O 62a_100011997219_200011292268 [1,0,0,0,0,0|2,0,0]=3 334 B10R0.22 CC(C)(F)CSCCCC=O 62a_200011292268_100011997219 [1,0,0,0,0,0|2,0,0]=3 335 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [1,0,0,0,0,0|2,0,0]=3 336 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [1,0,0,0,0,0|2,0,0]=3 337 B10R0.22 CC(C)(O)CCCNCCF 34a_100000724931_100009888830 [1,0,0,0,0,0|2,0,1]=4 338 B10R0.22 CC(C)(O)CCCNCCO 2230a_100016997473_100009888830 [1,0,0,0,0,0|1,0,2]=4 339 B10R0.22 CC(C)(O)CCCNCCO 34a_100016990907_100009888830 [1,0,0,0,0,0|1,0,2]=4 340 B10R0.22 CC(C)(O)CCCOCCBr 34a_100000211926_100009888830 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [1,0,0,0,0,0|2,0,1]=4 342 B10R0.22 CC(C)(O)CCCSCC#N 62a_100009888830_100011215382 [1,0,0,0,0,0|2,0,1]=4 343 B10R0.22 CC(C)(O)CCCSCC#N 62a_100011215382_100009888830 [1,0,0,0,0,0|2,0,1]=4 344 B10R0.22 CC(C)(O)CCCSCC=O 62a_100009888830_200015260668 [1,0,0,0,0,0|1,0,0]=2 345 B10R0.22 CC(C)(O)CCCSCC=O 62a_200015260668_100009888830 [1,0,0,0,0,0|1,0,0]=2 346 B10R0.22 CC(C)(O)CCCSCCF 62a_100009888830_100011217306 [1,0,0,0,0,0|2,0,1]=4 347 B10R0.22 CC(C)(O)CCCSCCF 62a_100011217306_100009888830 [1,0,0,0,0,0|2,0,1]=4 348 B10R0.22 CC(C)(O)CCCSCCO 62a_100000211926_100009888830 [1,0,0,0,0,0|1,0,2]=4 349 B10R0.22 CC(C)(O)CCCSCCO 62a_100009888830_100000211926 [1,0,0,0,0,0|1,0,2]=4 350 B10R0.22 CC(C)(O)CCNCCCF 2230a_100015189416_100000702414 [1,0,0,0,0,0|2,0,1]=4 351 B10R0.22 CC(C)(O)CCNCCCF 34a_100015189416_100000702414 [1,0,0,0,0,0|2,0,1]=4 352 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [1,0,0,0,0,0|2,0,1]=4 353 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [1,0,0,0,0,0|2,0,1]=4 354 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [1,0,0,0,0,0|2,0,1]=4 355 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [1,0,0,0,0,0|2,0,1]=4 356 B10R0.22 CC(C)(O)CCOCCON 34a_100000700252_100000702414 [1,0,0,0,0,0|3,0,0]=4 357 B10R0.22 CC(C)(O)CCSCCC#N 62a_100000702414_100011215226 [1,0,0,0,0,0|2,0,1]=4 358 B10R0.22 CC(C)(O)CCSCCC#N 62a_100011215226_100000702414 [1,0,0,0,0,0|2,0,1]=4 359 B10R0.22 CC(C)(O)CCSCCCF 62a_100000702414_100011934791 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.22 CC(C)(O)CCSCCCF 62a_100011934791_100000702414 [1,0,0,0,0,0|2,0,1]=4 361 B10R0.22 CC(C)(O)CCSCCCO 62a_100000702414_100011215043 [1,0,0,0,0,0|1,0,2]=4 362 B10R0.22 CC(C)(O)CCSCCCO 62a_100011215043_100000702414 [1,0,0,0,0,0|1,0,2]=4 363 B10R0.22 CC(C)(O)CNCCCC#N 2230a_100000751335_100000687738 [1,0,0,0,0,0|2,0,1]=4 364 B10R0.22 CC(C)(O)CNCCCC=O 2230a_100000751335_200011292268 [1,0,0,0,0,0|1,0,0]=2 365 B10R0.22 CC(C)(O)CNCCCCF 2230a_100000751335_100000729493 [1,0,0,0,0,0|2,0,1]=4 366 B10R0.22 CC(C)(O)CNCCCCO 2230a_100000751335_100000210776 [1,0,0,0,0,0|1,0,2]=4 367 B10R0.22 CC(C)(O)CNCCCCO 34a_100000750430_100000764493 [1,0,0,0,0,0|1,0,2]=4 368 B10R0.22 CC(C)(O)COCCCCBr 34a_100011216708_100000764493 [1,0,0,0,0,0|2,0,1]=4 369 B10R0.22 CC(C)(O)COCCCCCl 34a_100000210776_100000764493 [1,0,0,0,0,0|2,0,1]=4 370 B10R0.22 CC(C)(O)COCCCCCl 7a_100000210776_100000764493 [1,0,0,0,0,0|2,0,1]=4 371 B10R0.22 CC(C)(O)COCCCCF 34a_100011995726_100000764493 [1,0,0,0,0,0|2,0,1]=4 372 B10R0.22 CC(C)(O)COCCCCF 7a_100011995726_100000764493 [1,0,0,0,0,0|2,0,1]=4 373 B10R0.22 CC(C)(O)COCCCCI 34a_200012148704_100000764493 [1,0,0,0,0,0|2,0,1]=4 374 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [1,0,0,0,0,0|2,0,1]=4 375 B10R0.22 CC(C)(O)CSCCCC#N 62a_100000687738_100000764493 [1,0,0,0,0,0|2,0,1]=4 376 B10R0.22 CC(C)(O)CSCCCC#N 62a_100000764493_100000687738 [1,0,0,0,0,0|2,0,1]=4 377 B10R0.22 CC(C)(O)CSCCCC=O 62a_100000764493_200011292268 [1,0,0,0,0,0|1,0,0]=2 378 B10R0.22 CC(C)(O)CSCCCC=O 62a_200011292268_100000764493 [1,0,0,0,0,0|1,0,0]=2 379 B10R0.22 CC(C)(O)CSCCCCF 62a_100000729493_100000764493 [1,0,0,0,0,0|2,0,1]=4 380 B10R0.22 CC(C)(O)CSCCCCF 62a_100000764493_100000729493 [1,0,0,0,0,0|2,0,1]=4 381 B10R0.22 CC(C)(O)CSCCCCO 62a_100000210776_100000764493 [1,0,0,0,0,0|1,0,2]=4 382 B10R0.22 CC(C)(O)CSCCCCO 62a_100000764493_100000210776 [1,0,0,0,0,0|1,0,2]=4 383 B10R0.22 CC=CCSCCC(C)(C)O 62a_100000070051_100000702414 [1,0,0,0,0,0|2,0,1]=4 384 B10R0.22 CC=CCSCCC(C)(C)O 62a_100000702414_100000070051 [1,0,0,0,0,0|2,0,1]=4 385 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [1,0,0,0,0,0|2,0,1]=4 386 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [1,0,0,0,0,0|2,0,1]=4 387 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [1,0,0,0,0,0|2,0,1]=4 388 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [1,0,0,0,0,0|2,0,1]=4 389 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [1,0,0,0,0,0|2,0,1]=4 390 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [1,0,0,0,0,0|2,0,1]=4 391 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [1,0,0,0,0,0|2,0,1]=4 392 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [1,0,0,0,0,0|2,0,1]=4 393 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [1,0,0,0,0,0|2,0,1]=4 394 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [1,0,0,0,0,0|2,0,1]=4 395 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [1,0,0,0,0,0|2,0,1]=4 396 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [1,0,0,0,0,0|2,0,1]=4 397 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [1,0,0,0,0,0|2,0,1]=4 398 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [1,0,0,0,0,0|2,0,1]=4 399 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [1,0,0,0,0,0|2,0,0]=3 400 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [1,0,0,0,0,0|2,0,0]=3 401 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [1,0,0,0,0,0|2,0,0]=3 402 B10R0.22 CNCCCOCC(C)(C)O 34a_100000213112_100000764493 [1,0,0,0,0,0|3,0,0]=4 403 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [1,0,0,0,0,0|2,0,0]=3 404 B10R0.22 COCCCNCC(C)(C)O 2230a_100000751335_100000740836 [1,0,0,0,0,0|3,0,0]=4 405 B10R0.22 COCCCNCC(C)(C)O 34a_100150723488_100000764493 [1,0,0,0,0,0|3,0,0]=4 406 B10R0.22 COCCCOCC(C)(C)O 34a_100000740835_100000764493 [1,0,0,0,0,0|3,0,0]=4 407 B10R0.22 COCCCSCC(C)(C)O 62a_100000709357_100000764493 [1,0,0,0,0,0|3,0,0]=4 408 B10R0.22 COCCCSCC(C)(C)O 62a_100000764493_100000709357 [1,0,0,0,0,0|3,0,0]=4 409 B10R0.22 COCCNCCC(C)(C)O 2230a_100000209980_100000702414 [1,0,0,0,0,0|3,0,0]=4 410 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [1,0,0,0,0,0|3,0,0]=4 411 B10R0.22 COCCSCCC(C)(C)O 62a_100000233755_100000702414 [1,0,0,0,0,0|3,0,0]=4 412 B10R0.22 COCCSCCC(C)(C)O 62a_100000702414_100000233755 [1,0,0,0,0,0|3,0,0]=4 413 B10R0.22 COCSCCCC(C)(C)O 62a_100000766300_100009888830 [1,0,0,0,0,0|3,0,0]=4 414 B10R0.22 COCSCCCC(C)(C)O 62a_100009888830_100000766300 [1,0,0,0,0,0|3,0,0]=4 415 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [1,0,0,0,0,0|2,0,0]=3 416 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [1,0,0,0,0,0|2,0,0]=3 417 B10R0.22 CSCCCOCC(C)(C)O 34a_100000690336_100000764493 [1,0,0,0,0,0|3,0,0]=4 418 B10R0.22 CSCCCOCC(C)(C)O 7a_100000690336_100000764493 [1,0,0,0,0,0|3,0,0]=4 419 B10R0.22 CSCCNCCC(C)(C)O 2230a_100020590264_100000702414 [1,0,0,0,0,0|3,0,0]=4 420 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [1,0,0,0,0,0|3,0,0]=4 421 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [1,0,0,0,0,0|3,0,0]=4 422 B10R0.22 CSCCSCCC(C)(C)O 62a_100000212216_100000702414 [1,0,0,0,0,0|3,0,0]=4 423 B10R0.22 CSCCSCCC(C)(C)O 62a_100000702414_100000751147 [1,0,0,0,0,0|3,0,0]=4 424 B10R0.22 CSCSCCCC(C)(C)O 62a_100009888830_100011218213 [1,0,0,0,0,0|3,0,0]=4 425 B10R0.22 CSCSCCCC(C)(C)O 62a_100011218213_100009888830 [1,0,0,0,0,0|3,0,0]=4 426 B10R0.22 C[N+](C)(C)CCCSCC=O 62a_100016990835_200015260668 [1,0,0,0,0,0|3,0,0]=4 427 B10R0.22 C[N+](C)(C)CCCSCC=O 62a_200015260668_100016990835 [1,0,0,0,0,0|3,0,0]=4 428 B10R0.22 C[N+](C)(C)CSCCCC=O 62a_200000036245_200011292268 [1,0,0,0,0,0|3,0,0]=4 429 B10R0.22 C[N+](C)(C)CSCCCC=O 62a_200011292268_200000036245 [1,0,0,0,0,0|3,0,0]=4 430 B10R0.22 C[Si](C)(C)CCCOCC=O 7a_200011215415_200015260668 [1,0,0,0,0,0|2,1,0]=4 431 B10R0.22 C[Si](C)(C)CCCSCC=O 62a_100011219597_200015260668 [1,0,0,0,0,0|2,1,0]=4 432 B10R0.22 C[Si](C)(C)CCCSCC=O 62a_200015260668_100011219597 [1,0,0,0,0,0|2,1,0]=4 433 B10R0.22 C[Si](C)(C)CSCCCC=O 62a_100000037933_200011292268 [1,0,0,0,0,0|2,1,0]=4 434 B10R0.22 C[Si](C)(C)CSCCCC=O 62a_200011292268_100000037933 [1,0,0,0,0,0|2,1,0]=4 435 B10R0.60 C#CC(C)NCCC(C)(C)O 2230a_100000707721_100000702414 [1,0,0,0,0,0|1,0,2]=4 436 B10R0.60 C#CC(C)NCCC(C)(C)O 34a_100000707721_100000702414 [1,0,0,0,0,0|1,0,2]=4 437 B10R0.60 C#CC(C)SCCC(C)(C)O 62a_200000035995_100000702414 [1,0,0,0,0,0|1,0,2]=4 438 B10R0.60 C#C[C@@H](C)OCCC(C)(C)O 34a_100009815206_100000702414 [1,0,0,0,0,0|1,0,2]=4 439 B10R0.60 C#C[C@@H](C)OCCC(C)(C)O 7a_100009815206_100000702414 [1,0,0,0,0,0|1,0,2]=4 440 B10R0.60 C=CC(C)COCC(C)(C)C 34a_100011215527_100011219605 [1,0,0,0,0,0|2,0,1]=4 441 B10R0.60 C=CC(C)COCC(C)(C)F 34a_100011215527_100011997219 [1,0,0,0,0,0|2,0,1]=4 442 B10R0.60 C=CC(C)COCC(C)(C)O 34a_100011215527_100000764493 [1,0,0,0,0,0|1,0,1]=3 443 B10R0.60 C=CC(C)COCC(C)(C)O 7a_100011215527_100000764493 [1,0,0,0,0,0|1,0,1]=3 444 B10R0.60 C=CC(C)OCCC(C)(C)C 34a_100000695699_100000755188 [1,0,0,0,0,0|2,0,1]=4 445 B10R0.60 C=CC(C)OCCC(C)(C)O 34a_100000695699_100000702414 [1,0,0,0,0,0|1,0,1]=3 446 B10R0.60 C=CC(C)SCCC(C)(C)C 62a_100011215867_100000755188 [1,0,0,0,0,0|2,0,1]=4 447 B10R0.60 C=CC(C)SCCC(C)(C)O 62a_100011215867_100000702414 [1,0,0,0,0,0|1,0,1]=3 448 B10R0.60 C=CC(O)CNCC(C)(C)O 2230a_100000751335_100000730141 [1,0,0,0,0,0|2,0,1]=4 449 B10R0.60 C=CC(O)CSCC(C)(C)O 62a_100000730141_100000764493 [1,0,0,0,0,0|2,0,1]=4 450 B10R0.60 C=CC(O)CSCC(C)(C)O 62a_100000764493_100000730141 [1,0,0,0,0,0|2,0,1]=4 451 B10R0.60 C=C[C@H](N)COCC(C)(C)O 34a_100016989147_100000764493 [1,0,0,0,0,0|2,0,1]=4 452 B10R0.60 CC(C#N)NCCC(C)(C)O 2230a_100000737613_100000702414 [1,0,0,0,0,0|2,0,1]=4 453 B10R0.60 CC(C#N)OCCC(C)(C)O 34a_100011218135_100000702414 [1,0,0,0,0,0|2,0,1]=4 454 B10R0.60 CC(C#N)SCCC(C)(C)O 62a_100000702414_100000703298 [1,0,0,0,0,0|2,0,1]=4 455 B10R0.60 CC(C#N)SCCC(C)(C)O 62a_100000703298_100000702414 [1,0,0,0,0,0|2,0,1]=4 456 B10R0.60 CC(C)(O)CNCC(O)CO 2230a_100000751335_100011219619 [1,0,0,0,0,0|2,0,1]=4 457 B10R0.60 CC(C)(O)CNC[C@@H](F)CO 34a_100015665980_100000764493 [1,0,0,0,0,0|2,0,1]=4 458 B10R0.60 CC(C)(O)CNC[C@@H](O)CF 2230a_100000751335_100015614560 [1,0,0,0,0,0|3,0,0]=4 459 B10R0.60 CC(C)(O)CNC[C@@H](O)CO 2230a_100000751335_100009815848 [1,0,0,0,0,0|2,0,1]=4 460 B10R0.60 CC(C)(O)COCC(Cl)CCl 34a_100000033668_100000764493 [1,0,0,0,0,0|3,0,0]=4 461 B10R0.60 CC(C)(O)COC[C@H](F)CN 34a_100015665980_100000764493 [1,0,0,0,0,0|3,0,0]=4 462 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100000764493_100011219619 [1,0,0,0,0,0|2,0,1]=4 463 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100011219619_100000764493 [1,0,0,0,0,0|2,0,1]=4 464 B10R0.60 CC(C)(O)CSC[C@@H](O)CF 62a_100000764493_100015614560 [1,0,0,0,0,0|3,0,0]=4 465 B10R0.60 CC(C)(O)CSC[C@@H](O)CF 62a_100015614560_100000764493 [1,0,0,0,0,0|3,0,0]=4 466 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100000764493_100009815848 [1,0,0,0,0,0|2,0,1]=4 467 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100009815848_100000764493 [1,0,0,0,0,0|2,0,1]=4 468 B10R0.60 CC(CF)OCCC(C)(C)C 34a_100016041109_100000755188 [1,0,0,0,0,0|3,0,0]=4 469 B10R0.60 CC(CF)OCCC(C)(C)C 7a_100016041109_100000755188 [1,0,0,0,0,0|3,0,0]=4 470 B10R0.60 CC(CF)OCCC(C)(C)O 34a_100016041109_100000702414 [1,0,0,0,0,0|2,0,0]=3 471 B10R0.60 CC(CF)OCCC(C)(C)O 7a_100016041109_100000702414 [1,0,0,0,0,0|2,0,0]=3 472 B10R0.60 CC(CN)COCC(C)(C)C 34a_100000744482_100011219605 [1,0,0,0,0,0|3,0,0]=4 473 B10R0.60 CC(CN)COCC(C)(C)F 34a_100000744482_100011997219 [1,0,0,0,0,0|3,0,0]=4 474 B10R0.60 CC(CN)COCC(C)(C)O 34a_100000744482_100000764493 [1,0,0,0,0,0|2,0,0]=3 475 B10R0.60 CC(CN)OCCC(C)(C)C 34a_100000210904_100000755188 [1,0,0,0,0,0|3,0,0]=4 476 B10R0.60 CC(CN)OCCC(C)(C)O 34a_100000210904_100000702414 [1,0,0,0,0,0|2,0,0]=3 477 B10R0.60 CC(CO)CCNC(C)(C)C 34a_106354213184_100000210625 [1,0,0,0,0,0|2,0,1]=4 478 B10R0.60 CC(CO)CNCC(C)(C)C 34a_100000744482_100011219605 [1,0,0,0,0,0|2,0,1]=4 479 B10R0.60 CC(CO)CNCC(C)(C)F 34a_100000744482_100011997219 [1,0,0,0,0,0|2,0,1]=4 480 B10R0.60 CC(CO)CNCC(C)(C)O 34a_100000744482_100000764493 [1,0,0,0,0,0|1,0,1]=3 481 B10R0.60 CC(CO)NCCC(C)(C)C 2230a_100000738805_100012180447 [1,0,0,0,0,0|2,0,1]=4 482 B10R0.60 CC(CO)NCCC(C)(C)F 2230a_100016253952_100012180447 [1,0,0,0,0,0|2,0,1]=4 483 B10R0.60 CC(CO)OCCC(C)(C)C 7a_100000765024_100012180447 [1,0,0,0,0,0|2,0,1]=4 484 B10R0.60 CC(CO)SCCC(C)(C)C 62a_100012180447_100000755188 [1,0,0,0,0,0|2,0,1]=4 485 B10R0.60 CC(CO)SCCC(C)(C)O 62a_100012180447_100000702414 [1,0,0,0,0,0|1,0,1]=3 486 B10R0.60 CCC(C)CNCC(C)(C)C 2230a_100000743828_100000748023 [1,0,0,0,0,0|2,0,1]=4 487 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100000743828_100000243153 [1,0,0,0,0,0|2,0,1]=4 488 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100020588543_100011204126 [1,0,0,0,0,0|2,0,1]=4 489 B10R0.60 CCC(C)CNCC(C)(C)F 2230a_100020643315_100000748023 [1,0,0,0,0,0|2,0,1]=4 490 B10R0.60 CCC(C)CNCC(C)(C)F 270004a_100020643315_100000243153 [1,0,0,0,0,0|2,0,1]=4 491 B10R0.60 CCC(C)CNCC(C)(C)O 2230a_100000751335_100000748023 [1,0,0,0,0,0|1,0,1]=3 492 B10R0.60 CCC(C)CNCC(C)(C)O 270004a_100000751335_100000243153 [1,0,0,0,0,0|1,0,1]=3 493 B10R0.60 CCC(C)COCC(C)(C)F 34a_100000716592_100000748023 [1,0,0,0,0,0|2,0,1]=4 494 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100000748023_100011219605 [1,0,0,0,0,0|2,0,1]=4 495 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100011219605_100000748023 [1,0,0,0,0,0|2,0,1]=4 496 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100000748023_100011997219 [1,0,0,0,0,0|2,0,1]=4 497 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100011997219_100000748023 [1,0,0,0,0,0|2,0,1]=4 498 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000748023_100000764493 [1,0,0,0,0,0|1,0,1]=3 499 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000764493_100000748023 [1,0,0,0,0,0|1,0,1]=3 500 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000209981_100000755188 [1,0,0,0,0,0|2,0,1]=4 501 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000738805_100000758301 [1,0,0,0,0,0|2,0,1]=4 502 B10R0.60 CCC(C)NCCC(C)(C)F 2230a_100016253952_100000758301 [1,0,0,0,0,0|2,0,1]=4 503 B10R0.60 CCC(C)NCCC(C)(C)O 2230a_100000209981_100000702414 [1,0,0,0,0,0|1,0,1]=3 504 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000210228_100000755188 [1,0,0,0,0,0|2,0,1]=4 505 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000765024_100000758301 [1,0,0,0,0,0|2,0,1]=4 506 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [1,0,0,0,0,0|1,0,1]=3 507 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000755188_100000758301 [1,0,0,0,0,0|2,0,1]=4 508 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000758301_100000755188 [1,0,0,0,0,0|2,0,1]=4 509 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000702414_100000758301 [1,0,0,0,0,0|1,0,1]=3 510 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000758301_100000702414 [1,0,0,0,0,0|1,0,1]=3 511 B10R0.60 CCC(O)CNCC(C)(C)O 2230a_100000751335_100011218378 [1,0,0,0,0,0|2,0,1]=4 512 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100000764493_100011218378 [1,0,0,0,0,0|2,0,1]=4 513 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100011218378_100000764493 [1,0,0,0,0,0|2,0,1]=4 514 B10R0.60 CCN(C)CCCC(C)(C)O 2230a_100000225621_100009888830 [1,0,0,0,0,0|1,0,1]=3 515 B10R0.60 CCN(C)CCCC(C)(C)O 269982a_100000225621_100009888830 [1,0,0,0,0,0|1,0,1]=3 516 B10R0.60 CC[C@H](C)CNCC(C)(C)C 2230a_100000743828_100009816398 [1,0,0,0,0,0|2,0,1]=4 517 B10R0.60 CC[C@H](C)CNCC(C)(C)F 2230a_100020643315_100009816398 [1,0,0,0,0,0|2,0,1]=4 518 B10R0.60 CC[C@H](C)CNCC(C)(C)O 2230a_100000751335_100009816398 [1,0,0,0,0,0|1,0,1]=3 519 B10R0.60 CC[C@H](C)COCC(C)(C)F 34a_100000716592_100009816398 [1,0,0,0,0,0|2,0,1]=4 520 B10R0.60 CC[C@H](C)COCC(C)(C)O 7a_100009816381_100000764493 [1,0,0,0,0,0|1,0,1]=3 521 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100009816398_100011219605 [1,0,0,0,0,0|2,0,1]=4 522 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100011219605_100009816398 [1,0,0,0,0,0|2,0,1]=4 523 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100009816398_100011997219 [1,0,0,0,0,0|2,0,1]=4 524 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100011997219_100009816398 [1,0,0,0,0,0|2,0,1]=4 525 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100000764493_100009816398 [1,0,0,0,0,0|1,0,1]=3 526 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100009816398_100000764493 [1,0,0,0,0,0|1,0,1]=3 527 B10R0.60 COC(C)COCC(C)(C)O 34a_100000690652_100000764493 [1,0,0,0,0,0|2,0,1]=4 528 B10R0.60 COC(C)SCCC(C)(C)O 62a_100000702414_100009879195 [1,0,0,0,0,0|2,0,1]=4 529 B10R0.60 COC(C)SCCC(C)(C)O 62a_100009879195_100000702414 [1,0,0,0,0,0|2,0,1]=4 530 B10R0.60 C[C@@H](CO)CNCC(C)(C)C 2230a_100000743828_100000059175 [1,0,0,0,0,0|2,0,1]=4 531 B10R0.60 C[C@@H](CO)CNCC(C)(C)F 2230a_100020643315_100000059175 [1,0,0,0,0,0|2,0,1]=4 532 B10R0.60 C[C@@H](CO)CNCC(C)(C)O 2230a_100000751335_100000059175 [1,0,0,0,0,0|1,0,1]=3 533 B10R0.60 C[C@@H](CO)COCC(C)(C)F 34a_100000716592_100000059175 [1,0,0,0,0,0|2,0,1]=4 534 B10R0.60 C[C@@H](CO)CSCC(C)(C)C 62a_100000059175_100011219605 [1,0,0,0,0,0|2,0,1]=4 535 B10R0.60 C[C@@H](CO)CSCC(C)(C)C 62a_100011219605_100000059175 [1,0,0,0,0,0|2,0,1]=4 536 B10R0.60 C[C@@H](CO)CSCC(C)(C)F 62a_100000059175_100011997219 [1,0,0,0,0,0|2,0,1]=4 537 B10R0.60 C[C@@H](CO)CSCC(C)(C)F 62a_100011997219_100000059175 [1,0,0,0,0,0|2,0,1]=4 538 B10R0.60 C[C@@H](CO)CSCC(C)(C)O 62a_100000059175_100000764493 [1,0,0,0,0,0|1,0,1]=3 539 B10R0.60 C[C@@H](CO)CSCC(C)(C)O 62a_100000764493_100000059175 [1,0,0,0,0,0|1,0,1]=3 540 B10R0.60 C[C@H](CO)NCCC(C)(C)C 2230a_100000737577_100000755188 [1,0,0,0,0,0|2,0,1]=4 541 B10R0.60 C[C@H](CO)NCCC(C)(C)O 2230a_100000737577_100000702414 [1,0,0,0,0,0|1,0,1]=3 542 B10R0.60 C[C@H](CO)SCCC(C)(C)C 62a_100000755188_100016084084 [1,0,0,0,0,0|2,0,1]=4 543 B10R0.60 C[C@H](CO)SCCC(C)(C)C 62a_100016084084_100000755188 [1,0,0,0,0,0|2,0,1]=4 544 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100000702414_100016084084 [1,0,0,0,0,0|1,0,1]=3 545 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100016084084_100000702414 [1,0,0,0,0,0|1,0,1]=3 546 B12R0.16 CCCC(C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100011216630 [0,1,0,0,0,0|2,0,1]=4 547 B12R0.16 CCCC(C)NC[C@@H](F)C(C)(C)O 270004a_100015379105_100000211909 [0,1,0,0,0,0|2,0,1]=4 548 B12R0.16 COCC(C)NC[C@@H](F)C(C)(C)O 270004a_100015379105_100000749346 [0,1,0,0,0,0|3,0,0]=4 549 B12R0.16 CSCC(C)NC[C@@H](F)C(C)(C)O 270004a_100015379105_100011216314 [0,1,0,0,0,0|3,0,0]=4 550 B12R0.66 C=C(C)CN(C)CCCC(C)(C)O 2230a_100000225649_100009888830 [0,1,0,0,0,0|2,0,0]=3 551 B12R0.66 C=C(C)CN(C)CCCC(C)(C)O 269982a_100000225649_100009888830 [0,1,0,0,0,0|2,0,0]=3 552 B12R0.66 CC(=CC(C)OCCC(C)(C)O)C 34a_100000717055_100000702414 [0,1,0,0,0,0|2,0,1]=4 553 B12R0.66 CC(=O)OC(C)SCCC(C)(C)C 62a_100000755188_100009818208 [0,1,0,0,0,0|3,0,0]=4 554 B12R0.66 CC(=O)OC(C)SCCC(C)(C)C 62a_100009818208_100000755188 [0,1,0,0,0,0|3,0,0]=4 555 B12R0.66 CC(=O)OC(C)SCCC(C)(C)O 62a_100000702414_100009818208 [0,1,0,0,0,0|2,0,0]=3 556 B12R0.66 CC(=O)OC(C)SCCC(C)(C)O 62a_100009818208_100000702414 [0,1,0,0,0,0|2,0,0]=3 557 B12R0.66 CC(C)(C)CNCC(O)CC(=O)O 269956a_100011218706_100011219605 [0,1,0,0,0,0|3,0,0]=4 558 B12R0.66 CC(C)(F)CNCC(O)CC(=O)O 269956a_100011218706_100011997219 [0,1,0,0,0,0|3,0,0]=4 559 B12R0.66 CC(C)(O)CCNC(=O)CC(=O)N 527a_100000707701_100134613110 [0,1,0,0,0,0|2,0,1]=4 560 B12R0.66 CC(C)(O)CNCC(O)CC(=O)O 269956a_100011218706_100000764493 [0,1,0,0,0,0|2,0,0]=3 561 B12R0.66 CC(C)CC(C)NCCC(C)(C)O 2230a_100000692259_100000702414 [0,1,0,0,0,0|2,0,1]=4 562 B12R0.66 CC(C)CC(C)OCCC(C)(C)O 34a_100000211805_100000702414 [0,1,0,0,0,0|2,0,1]=4 563 B12R0.66 CC(C)CC(C)OCCC(C)(C)O 7a_100000211805_100000702414 [0,1,0,0,0,0|2,0,1]=4 564 B12R0.66 CC(C)CC(C)SCCC(C)(C)O 62a_100000702414_100000731052 [0,1,0,0,0,0|2,0,1]=4 565 B12R0.66 CC(C)CC(C)SCCC(C)(C)O 62a_100000731052_100000702414 [0,1,0,0,0,0|2,0,1]=4 566 B12R0.66 CC(C)CN(C)CCCC(C)(C)O 2230a_100000747067_100009888830 [0,1,0,0,0,0|2,0,1]=4 567 B12R0.66 CC(C)CN(C)CCCC(C)(C)O 269982a_100000747067_100009888830 [0,1,0,0,0,0|2,0,1]=4 568 B12R0.66 CC(CN(C)C)SCCC(C)(C)O 62a_100000702414_100020606517 [0,1,0,0,0,0|3,0,0]=4 569 B12R0.66 CC(CN(C)C)SCCC(C)(C)O 62a_100020606517_100000702414 [0,1,0,0,0,0|3,0,0]=4 570 B12R0.66 CC(CNCC(C)(C)O)CN(C)C 2230a_100000751335_100015348159 [0,1,0,0,0,0|3,0,0]=4 571 B12R0.66 CC(CSCC(C)(C)O)CN(C)C 62a_100000764493_100015348159 [0,1,0,0,0,0|3,0,0]=4 572 B12R0.66 CC(CSCC(C)(C)O)CN(C)C 62a_100015348159_100000764493 [0,1,0,0,0,0|3,0,0]=4 573 B12R0.66 CC(O)CN(C)CCCC(C)(C)O 2230a_100000227577_100009888830 [0,1,0,0,0,0|1,0,2]=4 574 B12R0.66 CC(O)CN(C)CCCC(C)(C)O 269982a_100000227577_100009888830 [0,1,0,0,0,0|1,0,2]=4 575 B12R0.66 CN(CCCC(C)(C)O)CC(=O)N 2230a_100000739694_100009888830 [0,1,0,0,0,0|1,0,0]=2 576 B12R0.66 CN(CCCC(C)(C)O)CC(=O)O 269956a_100000746989_100009888830 [0,1,0,0,0,0|1,0,0]=2 577 B12R0.66 CN(CCC[N+](C)(C)C)CC(=O)N 2230a_100000739694_100016990835 [0,1,0,0,0,0|3,0,0]=4 578 B12R0.66 CN(CCC[N+](C)(C)C)CC(=O)O 269956a_100000746989_100016990835 [0,1,0,0,0,0|3,0,0]=4 579 B12R0.66 CN(CCC[Si](C)(C)C)CC(=O)N 2230a_100000739694_100011219597 [0,1,0,0,0,0|2,1,0]=4 580 B12R0.66 CN(CCC[Si](C)(C)C)CC(=O)O 269956a_100000746989_100011219597 [0,1,0,0,0,0|2,1,0]=4 581 B12R0.66 CN(CCOC(C)(C)C)CC(=O)N 2230a_100000690421_100000747473 [0,1,0,0,0,0|3,0,0]=4 582 B12R0.66 CN(CCOC(C)(C)C)CC(=O)N 269982a_100000690421_100000187820 [0,1,0,0,0,0|3,0,0]=4 583 B12R0.66 CN(CCOC(C)(C)C)CC(=O)[O-] 269982a_100000690421_100020667443 [0,1,0,0,0,0|3,0,0]=4 584 B12R0.78 CCCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100011216630 [0,1,0,0,0,0|1,0,2]=4 585 B12R0.78 CCCC(C)CN(C)CC(C)(C)O 2230a_100000755907_100011216630 [0,1,0,0,0,0|2,0,1]=4 586 B12R0.78 CCCC(C)CN(C)CC(C)(C)O 269982a_100000755907_100011216630 [0,1,0,0,0,0|2,0,1]=4 587 B12R0.78 CCCC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000243154 [0,1,0,0,0,0|2,0,1]=4 588 B12R0.90 C/C=C(\C)/C(C)NCCC(C)(C)O 269862a_100000707701_100020675665 [0,1,0,0,0,0|2,0,1]=4 589 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)C 34a_100015455354_100000755188 [0,1,0,0,0,0|3,0,0]=4 590 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)C 7a_100015455354_100000755188 [0,1,0,0,0,0|3,0,0]=4 591 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)O 34a_100015455354_100000702414 [0,1,0,0,0,0|2,0,0]=3 592 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)O 7a_100015455354_100000702414 [0,1,0,0,0,0|2,0,0]=3 593 B12R0.90 CC(CO)N(C)CCCC(C)(C)O 2230a_100000693034_100009888830 [0,1,0,0,0,0|1,0,2]=4 594 B12R0.90 CC(CO)N(C)CCCC(C)(C)O 269982a_100000693034_100009888830 [0,1,0,0,0,0|1,0,2]=4 595 B12R0.90 CCC(C)C(C)NCCC(C)(C)O 269862a_100000707701_100000210599 [0,1,0,0,0,0|2,0,1]=4 596 B12R0.90 CCC(C)C(C)NCCC(C)(C)O 270004a_100000707701_100000210599 [0,1,0,0,0,0|2,0,1]=4 597 B12R0.90 CCC(C)C(C)OCCC(C)(C)O 7a_100011215189_100000702414 [0,1,0,0,0,0|2,0,1]=4 598 B12R0.90 CCC(C)N(C)CCCC(C)(C)O 2230a_100000741768_100009888830 [0,1,0,0,0,0|2,0,1]=4 599 B12R0.90 CCC(C)N(C)CCCC(C)(C)O 269982a_100000741768_100009888830 [0,1,0,0,0,0|2,0,1]=4 600 B12R0.104 C#CCOC(C)COCC(C)(C)O 34a_200000093152_100000764493 [0,1,0,0,0,0|2,0,1]=4 601 B12R0.104 C#CCOC(C)COCC(C)(C)O 7a_200000093152_100000764493 [0,1,0,0,0,0|2,0,1]=4 602 B12R0.104 C=CCCC(C)NCCC(C)(C)C 270004a_100000738805_100000762624 [0,1,0,0,0,0|3,0,0]=4 603 B12R0.104 C=CCCC(C)NCCC(C)(C)F 270004a_100016253952_100000762624 [0,1,0,0,0,0|3,0,0]=4 604 B12R0.104 C=CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000762624 [0,1,0,0,0,0|2,0,0]=3 605 B12R0.104 C=CCCC(C)OCCC(C)(C)C 34a_100000765329_100000755188 [0,1,0,0,0,0|3,0,0]=4 606 B12R0.104 C=CCCC(C)OCCC(C)(C)C 7a_100000765329_100000755188 [0,1,0,0,0,0|3,0,0]=4 607 B12R0.104 C=CCCC(C)OCCC(C)(C)O 34a_100000765329_100000702414 [0,1,0,0,0,0|2,0,0]=3 608 B12R0.104 C=CCCC(C)OCCC(C)(C)O 7a_100000765329_100000702414 [0,1,0,0,0,0|2,0,0]=3 609 B12R0.104 C=CCCN(C)CCCC(C)(C)O 2230a_100020639649_100009888830 [0,1,0,0,0,0|2,0,0]=3 610 B12R0.104 C=CCCN(C)CCCC(C)(C)O 269982a_100020639649_100009888830 [0,1,0,0,0,0|2,0,0]=3 611 B12R0.104 CC(CCCCl)OCCC(C)(C)O 34a_200000718107_100000702414 [0,1,0,0,0,0|2,0,1]=4 612 B12R0.104 CC(CCCCl)OCCC(C)(C)O 7a_200000718107_100000702414 [0,1,0,0,0,0|2,0,1]=4 613 B12R0.104 CCCCC(C)COCC(C)(C)O 34a_100011995851_100000764493 [0,1,0,0,0,0|2,0,1]=4 614 B12R0.104 CCCCC(C)COCC(C)(C)O 7a_100011995851_100000764493 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.104 CCCCC(C)NCCC(C)(C)O 2230a_100000126638_100000702414 [0,1,0,0,0,0|2,0,1]=4 616 B12R0.104 CCCCC(C)NCCC(C)(C)O 270004a_100000707701_100000210087 [0,1,0,0,0,0|2,0,1]=4 617 B12R0.104 CCCCC(C)OCCC(C)(C)O 34a_100000687866_100000702414 [0,1,0,0,0,0|2,0,1]=4 618 B12R0.104 CCCCC(C)OCCC(C)(C)O 7a_100000687866_100000702414 [0,1,0,0,0,0|2,0,1]=4 619 B12R0.104 CCCCC(C)SCCC(C)(C)O 62a_100000702414_200011215066 [0,1,0,0,0,0|2,0,1]=4 620 B12R0.104 CCCCC(C)SCCC(C)(C)O 62a_200011215066_100000702414 [0,1,0,0,0,0|2,0,1]=4 621 B12R0.104 CCCCN(C)CCCC(C)(C)O 2230a_100000207549_100009888830 [0,1,0,0,0,0|2,0,1]=4 622 B12R0.104 CCCCN(C)CCCC(C)(C)O 269982a_100000207549_100009888830 [0,1,0,0,0,0|2,0,1]=4 623 B12R0.104 CCCOC(C)CNCC(C)(C)O 34a_100015185124_100000764493 [0,1,0,0,0,0|2,0,1]=4 624 B12R0.104 CCOCC(C)OCCC(C)(C)O 34a_100000718985_100000702414 [0,1,0,0,0,0|2,0,1]=4 625 B12R0.104 CCOCC(C)OCCC(C)(C)O 7a_100000718985_100000702414 [0,1,0,0,0,0|2,0,1]=4 626 B12R0.104 CCSCC(C)NCCC(C)(C)O 270004a_100000707701_200011216171 [0,1,0,0,0,0|2,0,1]=4 627 B12R0.104 CN(CCC#N)CCCC(C)(C)O 2230a_100000184479_100009888830 [0,1,0,0,0,0|2,0,1]=4 628 B12R0.104 CN(CCCO)CCCC(C)(C)O 2230a_100000213112_100009888830 [0,1,0,0,0,0|1,0,2]=4 629 B12R0.104 CN(CCCO)CCCC(C)(C)O 269982a_100000213112_100009888830 [0,1,0,0,0,0|1,0,2]=4 630 B12R0.104 COCCC(C)NCCC(C)(C)O 270004a_100000707701_100000742357 [0,1,0,0,0,0|1,0,2]=4 631 B12R0.104 COCCN(C)CCCC(C)(C)O 2230a_100000743101_100009888830 [0,1,0,0,0,0|1,0,2]=4 632 B12R0.104 COCCN(C)CCCC(C)(C)O 269982a_100000743101_100009888830 [0,1,0,0,0,0|1,0,2]=4 633 B12R0.104 COCO[C@H](C)COCC(C)(C)O 34a_100016172286_100000764493 [0,1,0,0,0,0|3,0,0]=4 634 B12R0.104 COCO[C@H](C)COCC(C)(C)O 7a_100016172286_100000764493 [0,1,0,0,0,0|3,0,0]=4 635 B12R0.104 CSCCC(C)NCCC(C)(C)O 270004a_100000707701_100011217047 [0,1,0,0,0,0|1,1,1]=4 636 B12R0.104 CSCCN(C)CCCC(C)(C)O 2230a_100000686725_100009888830 [0,1,0,0,0,0|1,1,1]=4 637 B12R0.104 CSCCN(C)CCCC(C)(C)O 269982a_100000686725_100009888830 [0,1,0,0,0,0|1,1,1]=4 638 B12R0.104 C[C@H](CCCO)CNCC(C)(C)O 34a_100160569302_100000764493 [0,1,0,0,0,0|1,0,2]=4 639 B12R0.177 C=CCC(C)(C)OCCC(C)(C)C 7a_100011995686_100000755188 [0,1,0,0,0,0|3,0,0]=4 640 B12R0.177 C=CCC(C)(C)OCCC(C)(C)O 7a_100011995686_100000702414 [0,1,0,0,0,0|2,0,0]=3 641 B12R0.177 C=CC[Si](C)(C)CNCC(C)(C)O 2230a_100000751335_100000046978 [0,1,0,0,0,0|2,1,0]=4 642 B12R0.177 C=CC[Si](C)(C)CSCC(C)(C)O 62a_100000046978_100000764493 [0,1,0,0,0,0|2,1,0]=4 643 B12R0.177 C=CC[Si](C)(C)CSCC(C)(C)O 62a_100000764493_100000046978 [0,1,0,0,0,0|2,1,0]=4 644 B12R0.177 CC(C)(O)CCOC(C)(C)CCBr 7a_100000702414_100000702414 [0,1,0,0,0,0|2,0,1]=4 645 B12R0.177 CCCC(C)(C)COCC(C)(C)O 7a_100011995695_100000764493 [0,1,0,0,0,0|2,0,1]=4 646 B12R0.177 CCCC(C)(C)OCCC(C)(C)O 7a_100000748436_100000702414 [0,1,0,0,0,0|2,0,1]=4 647 B12R0.177 COCC(C)(C)NCCC(C)(C)O 2230a_100000752728_100000702414 [0,1,0,0,0,0|3,0,0]=4 648 B12R0.177 CSCC(C)(C)NCCC(C)(C)O 2230a_100000759623_100000702414 [0,1,0,0,0,0|3,0,0]=4 649 B12R0.177 CSCC(C)(C)NCCC(C)(C)O 7a_100000759623_100000702414 [0,1,0,0,0,0|3,0,0]=4 650 B12R0.178 C=CCC(C)C(=O)CCC(C)(C)C 1458a_100011216819_100000755188 [0,1,0,0,0,0|2,0,1]=4 651 B12R0.178 C=CCC(C)C(=O)NCC(C)(C)O 1626a_100000751335_100011216819 [0,1,0,0,0,0|2,0,1]=4 652 B12R0.178 C=CCC(C)C(=O)NCC(C)(C)O 240690a_100000751335_100011216819 [0,1,0,0,0,0|2,0,1]=4 653 B12R0.178 C=CCC(C)C(=O)NCC(C)(C)O 527a_100000751335_100011216819 [0,1,0,0,0,0|2,0,1]=4 654 B12R0.178 CC(CCO)N(C)CCC(C)(C)O 2230a_100000731037_100000702414 [0,1,0,0,0,0|1,0,2]=4 655 B12R0.178 CCCC(C)C(C)NCC(C)(C)O 270004a_100000751335_100011216282 [0,1,0,0,0,0|2,0,1]=4 656 B12R0.178 CCCC(C)C(C)OCC(C)(C)O 34a_100000708338_100000764493 [0,1,0,0,0,0|2,0,1]=4 657 B12R0.178 CCCC(C)C(C)OCC(C)(C)O 7a_100000708338_100000764493 [0,1,0,0,0,0|2,0,1]=4 658 B12R0.230 C#CCC(CC)OCCC(C)(C)O 34a_200011217983_100000702414 [0,1,0,0,0,0|2,0,1]=4 659 B12R0.230 C#CCC(CC)OCCC(C)(C)O 7a_200011217983_100000702414 [0,1,0,0,0,0|2,0,1]=4 660 B12R0.230 C#CCN(CC)CCCC(C)(C)O 2230a_100000744766_100009888830 [0,1,0,0,0,0|2,0,1]=4 661 B12R0.230 C#CCN(CC)CCCC(C)(C)O 269982a_100000744766_100009888830 [0,1,0,0,0,0|2,0,1]=4 662 B12R0.230 C=CCC(C=C)OCCC(C)(C)O 34a_100000038011_100000702414 [0,1,0,0,0,0|2,0,1]=4 663 B12R0.230 C=CCC(C=C)OCCC(C)(C)O 7a_100000038011_100000702414 [0,1,0,0,0,0|2,0,1]=4 664 B12R0.230 C=CC[C@H](CO)NCCC(C)(C)C 2230a_100020615467_100000755188 [0,1,0,0,0,0|3,0,0]=4 665 B12R0.230 C=CC[C@H](CO)NCCC(C)(C)O 2230a_100020615467_100000702414 [0,1,0,0,0,0|2,0,0]=3 666 B12R0.230 CCC(COC)NCCC(C)(C)O 2230a_100000757820_100000702414 [0,1,0,0,0,0|3,0,0]=4 667 B12R0.230 CCC(COC)NCCC(C)(C)O 270004a_100000707701_100000757811 [0,1,0,0,0,0|3,0,0]=4 668 B12R0.230 CCC(COC)OCCC(C)(C)O 7a_200011214946_100000702414 [0,1,0,0,0,0|3,0,0]=4 669 B12R0.230 CCCC(CC)NCCC(C)(C)O 2230a_100000747048_100000702414 [0,1,0,0,0,0|2,0,1]=4 670 B12R0.230 CCCC(CC)NCCC(C)(C)O 270004a_100000707701_100000687865 [0,1,0,0,0,0|2,0,1]=4 671 B12R0.230 CCCC(CC)OCCC(C)(C)O 34a_100000687864_100000702414 [0,1,0,0,0,0|2,0,1]=4 672 B12R0.230 CCCC(CC)OCCC(C)(C)O 7a_100000687864_100000702414 [0,1,0,0,0,0|2,0,1]=4 673 B12R0.230 CCCC(CC)SCCC(C)(C)O 62a_100000702414_100011219200 [0,1,0,0,0,0|2,0,1]=4 674 B12R0.230 CCCC(CC)SCCC(C)(C)O 62a_100011219200_100000702414 [0,1,0,0,0,0|2,0,1]=4 675 B12R0.230 CCCN(CC)CCCC(C)(C)O 2230a_100000226822_100009888830 [0,1,0,0,0,0|2,0,1]=4 676 B12R0.230 CCCN(CC)CCCC(C)(C)O 269982a_100000226822_100009888830 [0,1,0,0,0,0|2,0,1]=4 677 B12R0.230 CCC[C@@H](CO)NCCC(C)(C)O 2230a_100000732646_100000702414 [0,1,0,0,0,0|2,0,1]=4 678 B12R0.230 CCC[C@@H](CO)NCCC(C)(C)O 34a_100000732646_100000702414 [0,1,0,0,0,0|2,0,1]=4 679 B12R0.230 CCN(CCO)CCCC(C)(C)O 2230a_100000210973_100009888830 [0,1,0,0,0,0|1,0,2]=4 680 B12R0.230 CCN(CCO)CCCC(C)(C)O 269982a_100000210973_100009888830 [0,1,0,0,0,0|1,0,2]=4 681 B12R0.230 CC[C@H](CC#N)NCCC(C)(C)O 2230a_200009818565_100000702414 [0,1,0,0,0,0|2,0,1]=4 682 B12R0.230 COCC(CCl)OCCC(C)(C)O 34a_100011215053_100000702414 [0,1,0,0,0,0|3,0,0]=4 683 B12R0.230 COCC(CN)OCCC(C)(C)O 34a_100000756049_100000702414 [0,1,0,0,0,0|3,0,0]=4 684 B12R0.230 COCC(CO)NCCC(C)(C)O 2230a_100000724102_100000702414 [0,1,0,0,0,0|3,0,0]=4 685 B12R0.230 COCC(CO)NCCC(C)(C)O 34a_100000724102_100000702414 [0,1,0,0,0,0|3,0,0]=4 686 B12R0.573 C=CCC(C)COCC(C)(C)CO 34a_100009832082_100009813988 [0,1,0,0,0,0|2,0,0]=3 687 B12R0.573 C=CCC(C)COCC(C)(C)CO 7a_100009832082_100009813988 [0,1,0,0,0,0|2,0,0]=3 688 B12R0.573 C=CCC(C)COCC(C)(C)OC 34a_100009832082_100000701081 [0,1,0,0,0,0|2,0,0]=3 689 B12R0.573 C=CCN(C)CCCC(C)(C)C#N 2230a_100000225617_100000759902 [0,1,0,0,0,0|3,0,0]=4 690 B12R0.573 C=CCN(C)CCCC(C)(C)C#N 269982a_100000225617_100000759902 [0,1,0,0,0,0|3,0,0]=4 691 B12R0.573 C=CC[C@@H](N)COCC(C)(C)CO 34a_100020615467_100009813988 [0,1,0,0,0,0|3,0,0]=4 692 B12R0.573 C=CC[C@@H](N)COCC(C)(C)OC 34a_100020615467_100000701081 [0,1,0,0,0,0|3,0,0]=4 693 B12R0.573 CC(CCN)COCC(C)(C)CO 34a_106354213184_100009813988 [0,1,0,0,0,0|2,0,1]=4 694 B12R0.573 CCCC(C)CNCC(C)(C)CO 2230a_100020635058_100011216630 [0,1,0,0,0,0|2,0,1]=4 695 B12R0.573 CCCC(C)CNCC(C)(C)CO 270004a_100020635058_100000243154 [0,1,0,0,0,0|2,0,1]=4 696 B12R0.573 CCCC(C)CNCC(C)(C)OC 2230a_100000763424_100011216630 [0,1,0,0,0,0|2,0,1]=4 697 B12R0.573 CCCC(C)CNCC(C)(C)OC 270004a_100000763424_100000243154 [0,1,0,0,0,0|2,0,1]=4 698 B12R0.573 CCCC(C)COCC(C)(C)CO 34a_100000688023_100009813988 [0,1,0,0,0,0|2,0,1]=4 699 B12R0.573 CCCC(C)COCC(C)(C)CO 7a_100000688023_100009813988 [0,1,0,0,0,0|2,0,1]=4 700 B12R0.573 CCCC(C)COCC(C)(C)OC 34a_100000688023_100000701081 [0,1,0,0,0,0|2,0,1]=4 701 B12R0.573 CCCC(C)CSCC(C)(C)CO 62a_100009813988_100011216630 [0,1,0,0,0,0|2,0,1]=4 702 B12R0.573 CCCC(C)CSCC(C)(C)CO 62a_100011216630_100009813988 [0,1,0,0,0,0|2,0,1]=4 703 B12R0.573 CCCC(C)CSCC(C)(C)OC 62a_100000701081_100011216630 [0,1,0,0,0,0|2,0,1]=4 704 B12R0.573 CCCC(C)CSCC(C)(C)OC 62a_100011216630_100000701081 [0,1,0,0,0,0|2,0,1]=4 705 B12R0.573 CCCC(C)OCCC(C)(C)OC 7a_100000699976_100000766640 [0,1,0,0,0,0|2,0,1]=4 706 B12R0.573 COC(C)(C)CCOC(C)CC#N 7a_100000699976_100009813641 [0,1,0,0,0,0|2,0,1]=4 707 B12R0.573 COC(C)(C)CCOC(C)CCO 7a_100000699976_100009893172 [0,1,0,0,0,0|1,0,2]=4 708 B12R0.573 COC(C)(C)COCC(C)CCN 34a_106354213184_100000701081 [0,1,0,0,0,0|2,0,1]=4 709 B12R0.573 COCC(C)OCCC(C)(C)OC 7a_100000699976_100000765312 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.119 C[C@H]1CCCN(C1)CC(C)(C)O 34a_100000717927_100000764493 [0,0,0,1,0,0|2,0,1]=4 711 B12R1.129 CC1CCCC1NCC(C)(C)O 269862a_100000751335_100000752053 [0,0,0,1,0,0|2,0,1]=4 712 B12R1.129 CC1CCCC1OCC(C)(C)O 34a_100011216460_100000764493 [0,0,0,1,0,0|2,0,1]=4 713 B12R1.129 CC1CCCC1OCC(C)(C)O 7a_100011216460_100000764493 [0,0,0,1,0,0|2,0,1]=4 714 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)O 2230a_100015189458_100000702414 [0,0,0,1,0,0|2,0,1]=4 715 B12R1.129 C[C@@H]1CCCN1CCC(C)(C)O 34a_100015189458_100000702414 [0,0,0,1,0,0|2,0,1]=4 716 B12R1.129 C[C@@H]1CNC[C@@H]1OCC(C)(C)O 34a_200015306588_100000764493 [0,0,0,1,0,0|3,0,0]=4 717 B12R1.129 C[C@H]1CCCN1CCC(C)(C)O 2230a_100020605311_100000702414 [0,0,0,1,0,0|2,0,1]=4 718 B12R1.176 COCC1CN(C1)CC(C)(C)O 34a_100016993750_100000764493 [0,0,0,1,0,0|3,0,0]=4 719 B12R1.180 C#CCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000038162 [0,0,0,1,0,0|2,0,1]=4 720 B12R1.180 C#CCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100000184674 [0,0,0,1,0,0|2,0,1]=4 721 B12R1.180 C=CCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000210623 [0,0,0,1,0,0|2,0,0]=3 722 B12R1.180 C=CCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000210623 [0,0,0,1,0,0|2,0,0]=3 723 B12R1.180 C=CCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100015514636 [0,0,0,1,0,0|2,0,0]=3 724 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC#N 2230a_100132313854_100011215382 [0,0,0,1,0,0|2,0,1]=4 725 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC#N 269982a_100132313854_100011214920 [0,0,0,1,0,0|2,0,1]=4 726 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC=O 2230a_100132313854_200015260668 [0,0,0,1,0,0|1,0,0]=2 727 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC=O 269982a_100132313854_200015260668 [0,0,0,1,0,0|1,0,0]=2 728 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC=O 34a_100132313854_200009817547 [0,0,0,1,0,0|1,0,0]=2 729 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCF 2230a_100132313854_100011217306 [0,0,0,1,0,0|2,0,1]=4 730 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCF 269982a_100132313854_100011217306 [0,0,0,1,0,0|2,0,1]=4 731 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCF 34a_100132313854_100011217306 [0,0,0,1,0,0|2,0,1]=4 732 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCO 2230a_100132313854_100000211926 [0,0,0,1,0,0|1,0,2]=4 733 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCO 269982a_100132313854_100000211926 [0,0,0,1,0,0|1,0,2]=4 734 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CCO 34a_100132313854_100000211926 [0,0,0,1,0,0|1,0,2]=4 735 B12R1.180 CCCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000210303 [0,0,0,1,0,0|2,0,1]=4 736 B12R1.180 CCCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000210303 [0,0,0,1,0,0|2,0,1]=4 737 B12R1.180 CCCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100000210303 [0,0,0,1,0,0|2,0,1]=4 738 B12R1.180 COCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000766300 [0,0,0,1,0,0|3,0,0]=4 739 B12R1.180 COCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000766300 [0,0,0,1,0,0|3,0,0]=4 740 B12R1.180 CSCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100011218213 [0,0,0,1,0,0|3,0,0]=4 741 B12R1.180 CSCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100011218213 [0,0,0,1,0,0|3,0,0]=4 742 B12R1.180 CSCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100011218213 [0,0,0,1,0,0|3,0,0]=4 743 B12R1.219 C=C1CC(C1)CNCC(C)(C)C 270004a_100102567296_100011204126 [0,0,0,1,0,0|3,0,0]=4 744 B12R1.219 C=C1CC(C1)CNCC(C)(C)C 34a_100102567296_100011219605 [0,0,0,1,0,0|3,0,0]=4 745 B12R1.219 C=C1CC(C1)CNCC(C)(C)F 34a_100102567296_100011997219 [0,0,0,1,0,0|3,0,0]=4 746 B12R1.219 C=C1CC(C1)CNCC(C)(C)O 34a_100102567296_100000764493 [0,0,0,1,0,0|2,0,0]=3 747 B12R1.219 C=C1CC(C1)COCC(C)(C)C 34a_100011011225_100011219605 [0,0,0,1,0,0|3,0,0]=4 748 B12R1.219 C=C1CC(C1)COCC(C)(C)F 34a_100011011225_100011997219 [0,0,0,1,0,0|3,0,0]=4 749 B12R1.219 C=C1CC(C1)COCC(C)(C)O 34a_100011011225_100000764493 [0,0,0,1,0,0|2,0,0]=3 750 B12R1.219 C=C1CC(C1)NCCC(C)(C)C 2230a_100132301982_100000755188 [0,0,0,1,0,0|3,0,0]=4 751 B12R1.219 C=C1CC(C1)NCCC(C)(C)O 2230a_100132301982_100000702414 [0,0,0,1,0,0|2,0,0]=3 752 B12R1.219 CC(C)(C)CCSC1CC(=O)C1 62a_100009894365_100000755188 [0,0,0,1,0,0|2,0,0]=3 753 B12R1.219 CC(C)(C)CNCC1CC(=O)C1 2230a_100000743828_100009874392 [0,0,0,1,0,0|2,0,0]=3 754 B12R1.219 CC(C)(C)COCC1CC(=O)C1 34a_100000101936_100011219605 [0,0,0,1,0,0|2,0,0]=3 755 B12R1.219 CC(C)(C)CSCC1CC(=O)C1 62a_100009874392_100011219605 [0,0,0,1,0,0|2,0,0]=3 756 B12R1.219 CC(C)(C)CSCC1CC(=O)C1 62a_100011219605_100009874392 [0,0,0,1,0,0|2,0,0]=3 757 B12R1.219 CC(C)(F)CNCC1CC(=O)C1 2230a_100020643315_100009874392 [0,0,0,1,0,0|2,0,0]=3 758 B12R1.219 CC(C)(F)COCC1CC(=O)C1 34a_100000101936_100011997219 [0,0,0,1,0,0|2,0,0]=3 759 B12R1.219 CC(C)(F)CSCC1CC(=O)C1 62a_100009874392_100011997219 [0,0,0,1,0,0|2,0,0]=3 760 B12R1.219 CC(C)(F)CSCC1CC(=O)C1 62a_100011997219_100009874392 [0,0,0,1,0,0|2,0,0]=3 761 B12R1.219 CC(C)(O)CCCN1CC(C1)F 2230a_100000690557_100009888830 [0,0,0,1,0,0|2,0,1]=4 762 B12R1.219 CC(C)(O)CCCN1CC(C1)F 269982a_100000690557_100009888830 [0,0,0,1,0,0|2,0,1]=4 763 B12R1.219 CC(C)(O)CCCN1CC(C1)F 34a_100000690557_100009888830 [0,0,0,1,0,0|2,0,1]=4 764 B12R1.219 CC(C)(O)CCCN1CC(C1)O 269982a_100000749847_100009888830 [0,0,0,1,0,0|1,0,2]=4 765 B12R1.219 CC(C)(O)CCNC1CC(C1)F 2230a_100016993743_100000702414 [0,0,0,1,0,0|2,0,1]=4 766 B12R1.219 CC(C)(O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000702414 [0,0,0,1,0,0|1,0,2]=4 767 B12R1.219 CC(C)(O)CCSC1CC(=O)C1 62a_100009894365_100000702414 [0,0,0,1,0,0|1,0,0]=2 768 B12R1.219 CC(C)(O)CNCC1CC(=O)C1 2230a_100000751335_100009874392 [0,0,0,1,0,0|1,0,0]=2 769 B12R1.219 CC(C)(O)COCC1CC(=O)C1 34a_100000101936_100000764493 [0,0,0,1,0,0|1,0,0]=2 770 B12R1.219 CC(C)(O)COCC1CC(C1)Cl 34a_100009874164_100000764493 [0,0,0,1,0,0|2,0,1]=4 771 B12R1.219 CC(C)(O)CSCC1CC(=O)C1 62a_100000764493_100009874392 [0,0,0,1,0,0|1,0,0]=2 772 B12R1.219 CC(C)(O)CSCC1CC(=O)C1 62a_100009874392_100000764493 [0,0,0,1,0,0|1,0,0]=2 773 B12R1.219 CC1CN(C1)CCCC(C)(C)O 2230a_100000702820_100009888830 [0,0,0,1,0,0|2,0,1]=4 774 B12R1.219 CC1CN(C1)CCCC(C)(C)O 269982a_100000702820_100009888830 [0,0,0,1,0,0|2,0,1]=4 775 B12R1.219 CC1CN(C1)CCCC(C)(C)O 34a_100000702820_100009888830 [0,0,0,1,0,0|2,0,1]=4 776 B12R1.219 C[N+](C)(C)CCSC1CC(=O)C1 62a_100009894365_100000085578 [0,0,0,1,0,0|3,0,0]=4 777 B12R1.219 C[N+](C)(C)CSCC1CC(=O)C1 62a_100009874392_200000036245 [0,0,0,1,0,0|3,0,0]=4 778 B12R1.219 C[N+](C)(C)CSCC1CC(=O)C1 62a_200000036245_100009874392 [0,0,0,1,0,0|3,0,0]=4 779 B12R1.219 C[Si](C)(C)CCSC1CC(=O)C1 62a_100009894365_200000733723 [0,0,0,1,0,0|2,1,0]=4 780 B12R1.219 C[Si](C)(C)CSCC1CC(=O)C1 62a_100000037933_100009874392 [0,0,0,1,0,0|2,1,0]=4 781 B12R1.219 C[Si](C)(C)CSCC1CC(=O)C1 62a_100009874392_100000037933 [0,0,0,1,0,0|2,1,0]=4 782 B12R1.862 CC1CC(C(=O)O1)NC(C)(C)C 2230a_100000715429_200000216747 [0,0,0,1,0,0|3,0,0]=4 783 B12R1.862 CC1CC(C(=O)O1)OC(C)(C)C 34a_100015890283_200000216747 [0,0,0,1,0,0|3,0,0]=4 784 B12R1.862 CC1CC(C(=O)O1)OC(C)(C)C 7a_100015890283_200000216747 [0,0,0,1,0,0|3,0,0]=4 785 B12R1.862 CC1CC(C(=O)O1)SC(C)(C)C 62a_100000211941_200000216747 [0,0,0,1,0,0|3,0,0]=4 786 B12R1.862 CC1CC(C(=O)O1)SC(C)(C)C 62a_200000216747_100000211941 [0,0,0,1,0,0|3,0,0]=4 787 B12R1.890 CC(C)(C)CCNC1CC=CC1 2230a_100015188752_100000755188 [0,0,0,1,0,0|3,0,0]=4 788 B12R1.890 CC(C)(C)COCC1CC=CC1 34a_100000688395_100011219605 [0,0,0,1,0,0|3,0,0]=4 789 B12R1.890 CC(C)(F)COCC1CC=CC1 34a_100000688395_100011997219 [0,0,0,1,0,0|3,0,0]=4 790 B12R1.890 CC(C)(O)CCCN1CC=CC1 269982a_100015195280_100009888830 [0,0,0,1,0,0|2,0,0]=3 791 B12R1.890 CC(C)(O)CCCN1CCCC1 2230a_100000188435_100009888830 [0,0,0,1,0,0|2,0,1]=4 792 B12R1.890 CC(C)(O)CCCN1CCCC1 269982a_100000188435_100009888830 [0,0,0,1,0,0|2,0,1]=4 793 B12R1.890 CC(C)(O)CCCN1CCSC1 2230a_100011215254_100009888830 [0,0,0,1,0,0|1,1,1]=4 794 B12R1.890 CC(C)(O)CCCN1CCSC1 269982a_100011215254_100009888830 [0,0,0,1,0,0|1,1,1]=4 795 B12R1.890 CC(C)(O)CCNC1CC=CC1 2230a_100015188752_100000702414 [0,0,0,1,0,0|2,0,0]=3 796 B12R1.890 CC(C)(O)CCNC1CCCC1 2230a_100000211070_100000702414 [0,0,0,1,0,0|2,0,1]=4 797 B12R1.890 CC(C)(O)CCNC1CCCC1 270004a_100000707701_100000210133 [0,0,0,1,0,0|2,0,1]=4 798 B12R1.890 CC(C)(O)CCNC1CCCC1 34a_100000211070_100000702414 [0,0,0,1,0,0|2,0,1]=4 799 B12R1.890 CC(C)(O)CCNC1CCOC1 270004a_100000707701_100000752484 [0,0,0,1,0,0|1,0,2]=4 800 B12R1.890 CC(C)(O)CCNC1CCSC1 270004a_100000707701_100000212027 [0,0,0,1,0,0|1,1,1]=4 801 B12R1.890 CC(C)(O)CCN[C@@H]1CCOC1 2230a_200015188469_100000702414 [0,0,0,1,0,0|1,0,2]=4 802 B12R1.890 CC(C)(O)CCN[C@H]1CCOC1 2230a_100015188467_100000702414 [0,0,0,1,0,0|1,0,2]=4 803 B12R1.890 CC(C)(O)CCN[C@H]1CCOC1 34a_100015188467_100000702414 [0,0,0,1,0,0|1,0,2]=4 804 B12R1.890 CC(C)(O)CCOC1CCCC1 34a_100000210269_100000702414 [0,0,0,1,0,0|2,0,1]=4 805 B12R1.890 CC(C)(O)CCOC1CCCC1 7a_100000210269_100000702414 [0,0,0,1,0,0|2,0,1]=4 806 B12R1.890 CC(C)(O)CCOC1CCSC1 7a_100011232664_100000702414 [0,0,0,1,0,0|1,1,1]=4 807 B12R1.890 CC(C)(O)CCO[C@H]1CCOC1 34a_100000717292_100000702414 [0,0,0,1,0,0|1,0,2]=4 808 B12R1.890 CC(C)(O)CCSC1CCCC1 62a_100000702414_100000179811 [0,0,0,1,0,0|2,0,1]=4 809 B12R1.890 CC(C)(O)CCSC1CCCC1 62a_100011217020_100000702414 [0,0,0,1,0,0|2,0,1]=4 810 B12R1.890 CC(C)(O)CCSC1CCOC1 62a_100000702414_100000690089 [0,0,0,1,0,0|1,0,2]=4 811 B12R1.890 CC(C)(O)CNCC1CCCC1 2230a_100000751335_100000740388 [0,0,0,1,0,0|2,0,1]=4 812 B12R1.890 CC(C)(O)CNCC1CCCC1 269862a_100000751335_100000746403 [0,0,0,1,0,0|2,0,1]=4 813 B12R1.890 CC(C)(O)CNCC1CCCC1 34a_100000737975_100000764493 [0,0,0,1,0,0|2,0,1]=4 814 B12R1.890 CC(C)(O)CNCC1CCOC1 2230a_100000751335_100000702531 [0,0,0,1,0,0|1,0,2]=4 815 B12R1.890 CC(C)(O)CNCC1CCOC1 34a_100000737293_100000764493 [0,0,0,1,0,0|1,0,2]=4 816 B12R1.890 CC(C)(O)COCC1CC=CC1 34a_100000688395_100000764493 [0,0,0,1,0,0|2,0,0]=3 817 B12R1.890 CC(C)(O)COCC1CCCC1 34a_100000742336_100000764493 [0,0,0,1,0,0|2,0,1]=4 818 B12R1.890 CC(C)(O)COCC1CCCC1 7a_100000742336_100000764493 [0,0,0,1,0,0|2,0,1]=4 819 B12R1.890 CC(C)(O)COCC1CCNC1 34a_100000748654_100000764493 [0,0,0,1,0,0|2,0,1]=4 820 B12R1.890 CC(C)(O)COCC1CCOC1 34a_100000740260_100000764493 [0,0,0,1,0,0|1,0,2]=4 821 B12R1.890 CC(C)(O)CSCC1CCCC1 62a_100000740388_100000764493 [0,0,0,1,0,0|2,0,1]=4 822 B12R1.890 CC(C)(O)CSCC1CCCC1 62a_100000764493_100000740388 [0,0,0,1,0,0|2,0,1]=4 823 B12R1.890 CC(C)(O)CSCC1CCOC1 62a_100000702531_100000764493 [0,0,0,1,0,0|1,0,2]=4 824 B12R1.890 CC(C)(O)CSCC1CCOC1 62a_100000764493_100000702531 [0,0,0,1,0,0|1,0,2]=4 825 B12R1.1029 CC(C)(O)CCNC1(CCC1)C 2230a_100000692455_100000702414 [0,0,0,1,0,0|2,0,1]=4 826 B12R1.1029 CC(C)(O)CCNC1(CCC1)C 34a_100000692455_100000702414 [0,0,0,1,0,0|2,0,1]=4 827 B12R1.1029 CC(C)(O)CCNC1(COC1)C 2230a_100000732644_100000702414 [0,0,0,1,0,0|3,0,0]=4 828 B12R1.1029 CC(C)(O)CCOC1(CCC1)C 34a_100000759064_100000702414 [0,0,0,1,0,0|2,0,1]=4 829 B12R1.1029 CC(C)(O)CCOC1(CCC1)C 7a_100000759064_100000702414 [0,0,0,1,0,0|2,0,1]=4 830 B12R1.1029 CC(C)(O)CCOC1(CSC1)C 7a_100016018533_100000702414 [0,0,0,1,0,0|3,0,0]=4 831 B12R1.1029 CC(C)(O)CNCC1(CCC1)C 2230a_100000751335_100000726658 [0,0,0,1,0,0|2,0,1]=4 832 B12R1.1029 CC(C)(O)CNCC1(COC1)C 2230a_100000751335_100000066812 [0,0,0,1,0,0|3,0,0]=4 833 B12R1.1029 CC(C)(O)CNCC1(COC1)C 269862a_100000751335_100000050806 [0,0,0,1,0,0|3,0,0]=4 834 B12R1.1029 CC(C)(O)COCC1(CSC1)C 34a_100000732658_100000764493 [0,0,0,1,0,0|3,0,0]=4 835 B12R1.1029 CC(C)(O)COCC1(CSC1)C 7a_100000732658_100000764493 [0,0,0,1,0,0|3,0,0]=4 836 B12R1.1029 CC(C)(O)CSCC1(CCC1)C 62a_100000726658_100000764493 [0,0,0,1,0,0|2,0,1]=4 837 B12R1.1029 CC(C)(O)CSCC1(CCC1)C 62a_100000764493_100000726658 [0,0,0,1,0,0|2,0,1]=4 838 B12R1.1029 CC(C)(O)CSCC1(COC1)C 62a_100000764493_100009817586 [0,0,0,1,0,0|3,0,0]=4 839 B12R1.1029 CC(C)(O)CSCC1(COC1)C 62a_100009817586_100000764493 [0,0,0,1,0,0|3,0,0]=4 840 B12R1.1142 C#CCN1CCCC(CC1)(C)O 2230a_100000723723_100000038162 [0,0,0,1,0,0|2,0,1]=4 841 B12R1.1142 C#CCN1CCCC(CC1)(C)O 34a_100000723723_100000184674 [0,0,0,1,0,0|2,0,1]=4 842 B12R1.1142 C=CCN1CCCC(CC1)(C)O 2230a_100000723723_100000210623 [0,0,0,1,0,0|2,0,0]=3 843 B12R1.1142 C=CCN1CCCC(CC1)(C)O 269982a_100000723723_100000210623 [0,0,0,1,0,0|2,0,0]=3 844 B12R1.1142 C=CCN1CCCC(CC1)(C)O 34a_100000723723_100015514636 [0,0,0,1,0,0|2,0,0]=3 845 B12R1.1142 CC1(CCCN(CC1)CC#N)O 2230a_100000723723_100011215382 [0,0,0,1,0,0|2,0,1]=4 846 B12R1.1142 CC1(CCCN(CC1)CC#N)O 269982a_100000723723_100011214920 [0,0,0,1,0,0|2,0,1]=4 847 B12R1.1142 CC1(CCCN(CC1)CC=O)O 2230a_100000723723_200015260668 [0,0,0,1,0,0|1,0,0]=2 848 B12R1.1142 CC1(CCCN(CC1)CC=O)O 269982a_100000723723_200015260668 [0,0,0,1,0,0|1,0,0]=2 849 B12R1.1142 CC1(CCCN(CC1)CC=O)O 34a_100000723723_200009817547 [0,0,0,1,0,0|1,0,0]=2 850 B12R1.1142 CC1(CCCN(CC1)CCF)O 2230a_100000723723_100011217306 [0,0,0,1,0,0|2,0,1]=4 851 B12R1.1142 CC1(CCCN(CC1)CCF)O 269982a_100000723723_100011217306 [0,0,0,1,0,0|2,0,1]=4 852 B12R1.1142 CC1(CCCN(CC1)CCF)O 34a_100000723723_100011217306 [0,0,0,1,0,0|2,0,1]=4 853 B12R1.1142 CC1(CCCN(CC1)CCO)O 2230a_100000723723_100000211926 [0,0,0,1,0,0|1,0,2]=4 854 B12R1.1142 CC1(CCCN(CC1)CCO)O 269982a_100000723723_100000211926 [0,0,0,1,0,0|1,0,2]=4 855 B12R1.1142 CC1(CCCN(CC1)CCO)O 34a_100000723723_100000211926 [0,0,0,1,0,0|1,0,2]=4 856 B12R1.1142 CCCN1CCCC(CC1)(C)O 2230a_100000723723_100000210303 [0,0,0,1,0,0|2,0,1]=4 857 B12R1.1142 CCCN1CCCC(CC1)(C)O 269982a_100000723723_100000210303 [0,0,0,1,0,0|2,0,1]=4 858 B12R1.1142 CCCN1CCCC(CC1)(C)O 34a_100000723723_100000210303 [0,0,0,1,0,0|2,0,1]=4 859 B12R1.1142 COCN1CCCC(CC1)(C)O 2230a_100000723723_100000766300 [0,0,0,1,0,0|3,0,0]=4 860 B12R1.1142 COCN1CCCC(CC1)(C)O 269982a_100000723723_100000766300 [0,0,0,1,0,0|3,0,0]=4 861 B12R1.1142 CSCN1CCCC(CC1)(C)O 2230a_100000723723_100011218213 [0,0,0,1,0,0|3,0,0]=4 862 B12R1.1142 CSCN1CCCC(CC1)(C)O 269982a_100000723723_100011218213 [0,0,0,1,0,0|3,0,0]=4 863 B12R1.1142 CSCN1CCCC(CC1)(C)O 34a_100000723723_100011218213 [0,0,0,1,0,0|3,0,0]=4 864 B12R1.1142 O=CCN1CCCC(CC1)(F)F 2230a_100020621504_200015260668 [0,0,0,1,0,0|3,0,0]=4 865 B12R1.1142 O=CCN1CCCC(CC1)(F)F 269982a_100020621504_200015260668 [0,0,0,1,0,0|3,0,0]=4 866 B12R1.1142 O=CCN1CCCC(CC1)(F)F 34a_100020621504_200009817547 [0,0,0,1,0,0|3,0,0]=4 867 B12R1.1527 C=CCC(C)COCC1(CO1)C 34a_100009832082_100000760498 [0,0,0,1,0,0|2,0,0]=3 868 B12R1.1527 C=CC[C@@H](N)COCC1(CO1)C 34a_100020615467_100000760498 [0,0,0,1,0,0|3,0,0]=4 869 B12R1.1527 CC(CCN)COCC1(CO1)C 34a_106354213184_100000760498 [0,0,0,1,0,0|2,0,1]=4 870 B12R1.1527 CCCC(C)CNCC1(CC1)O 2230a_100011936951_100011216630 [0,0,0,1,0,0|2,0,1]=4 871 B12R1.1527 CCCC(C)CNCC1(CC1)O 270004a_100011936951_100000243154 [0,0,0,1,0,0|2,0,1]=4 872 B12R1.1527 CCCC(C)COCC1(CO1)C 34a_100000688023_100000760498 [0,0,0,1,0,0|2,0,1]=4 873 B12R1.1527 CCCC(C)CSCC1(CO1)C 62a_100000760498_100011216630 [0,0,0,1,0,0|2,0,1]=4 874 B12R1.1527 CCCC(C)CSCC1(CO1)C 62a_100011216630_100000760498 [0,0,0,1,0,0|2,0,1]=4 875 B12R1.1572 CC(CC#N)OCC1OC1(C)C 7a_200010283642_100009813641 [0,0,0,1,0,0|2,0,1]=4 876 B12R1.1572 CC(CCO)OCC1OC1(C)C 34a_200010283642_100009893172 [0,0,0,1,0,0|1,0,2]=4 877 B12R1.1572 CC(CCO)OCC1OC1(C)C 7a_200010283642_100009893172 [0,0,0,1,0,0|1,0,2]=4 878 B12R1.1572 CCCC(C)OCC1OC1(C)C 34a_200010283642_100000766640 [0,0,0,1,0,0|2,0,1]=4 879 B12R1.1572 CCCC(C)OCC1OC1(C)C 7a_200010283642_100000766640 [0,0,0,1,0,0|2,0,1]=4 880 B12R1.1572 COCC(C)OCC1OC1(C)C 34a_200010283642_100000765312 [0,0,0,1,0,0|3,0,0]=4 881 B12R1.1572 COCC(C)OCC1OC1(C)C 7a_200010283642_100000765312 [0,0,0,1,0,0|3,0,0]=4 882 B12R1.1580 C=CCN(C)C1CCC(C1)(C)C 270004a_100000225617_100000759959 [0,0,0,1,0,0|3,0,0]=4 883 B12R1.1580 CC(CC#N)N1CCC(C1)(C)O 2230a_100000718628_100009813641 [0,0,0,1,0,0|2,0,1]=4 884 B12R1.1580 CC(CC#N)N1CCC(C1)(C)O 269982a_100000718628_100009813641 [0,0,0,1,0,0|2,0,1]=4 885 B12R1.1580 CC(CCO)N1CCC(C1)(C)O 2230a_100000718628_100009893172 [0,0,0,1,0,0|1,0,2]=4 886 B12R1.1580 CC(CCO)N1CCC(C1)(C)O 269982a_100000718628_100009893172 [0,0,0,1,0,0|1,0,2]=4 887 B12R1.1580 CCCC(C)N1CCC(C1)(C)O 2230a_100000718628_100000766640 [0,0,0,1,0,0|2,0,1]=4 888 B12R1.1580 CCCC(C)N1CCC(C1)(C)O 269982a_100000718628_100000766640 [0,0,0,1,0,0|2,0,1]=4 889 B12R1.1580 CCCC(C)N1CCC(C1)(C)O 270004a_100000718628_100000211909 [0,0,0,1,0,0|2,0,1]=4 890 B12R1.1580 COCC(C)N1CCC(C1)(C)O 2230a_100000718628_100000765312 [0,0,0,1,0,0|3,0,0]=4 891 B12R1.1580 COCC(C)N1CCC(C1)(C)O 269982a_100000718628_100000765312 [0,0,0,1,0,0|3,0,0]=4 892 B12R1.1580 COCC(C)N1CCC(C1)(C)O 270004a_100000718628_100000749346 [0,0,0,1,0,0|3,0,0]=4 893 B12R1.1580 CSCC(C)N1CCC(C1)(C)O 270004a_100000718628_100011216314 [0,0,0,1,0,0|3,0,0]=4 894 B12R1.1620 CC(CC#N)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100009813641 [0,0,0,1,0,0|2,0,1]=4 895 B12R1.1620 CC(CCO)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100009893172 [0,0,0,1,0,0|1,0,2]=4 896 B12R1.1620 CCCC(C)CN1CC(C1)(C)O 2230a_100000718560_100011216630 [0,0,0,1,0,0|2,0,1]=4 897 B12R1.1620 CCCC(C)CN1CC(C1)(C)O 269982a_100000718560_100011216630 [0,0,0,1,0,0|2,0,1]=4 898 B12R1.1620 CCCC(C)CN1CC(C1)(C)O 270004a_100000718560_100000243154 [0,0,0,1,0,0|2,0,1]=4 899 B12R1.1620 CCCC(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000766640 [0,0,0,1,0,0|2,0,1]=4 900 B12R1.1620 CCCC(C)N[C@H]1C[C@@](C1)(C)O 270004a_100121572536_100000211909 [0,0,0,1,0,0|2,0,1]=4 901 B12R1.1620 COCC(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000765312 [0,0,0,1,0,0|3,0,0]=4 902 B12R1.1620 COCC(C)N[C@H]1C[C@@](C1)(C)O 270004a_100121572536_100000749346 [0,0,0,1,0,0|3,0,0]=4 903 B12R1.1620 CSCC(C)N[C@H]1C[C@@](C1)(C)O 270004a_100121572536_100011216314 [0,0,0,1,0,0|3,0,0]=4 904 B12R1.3183 CC(NCCC(C)(C)O)C1CC1 2230a_100000700016_100000702414 [0,0,0,1,0,0|2,0,1]=4 905 B12R1.3183 CC(NCCC(C)(C)O)C1CC1 269862a_100000707701_100000210639 [0,0,0,1,0,0|2,0,1]=4 906 B12R1.3183 CC(NCCC(C)(C)O)C1CC1 34a_100000700016_100000702414 [0,0,0,1,0,0|2,0,1]=4 907 B12R1.3183 CC(NCCC(C)(C)O)C1CO1 270004a_100000707701_100000031964 [0,0,0,1,0,0|1,0,2]=4 908 B12R1.3183 CC(OCCC(C)(C)O)C1CC1 34a_100000744524_100000702414 [0,0,0,1,0,0|2,0,1]=4 909 B12R1.3183 CC(OCCC(C)(C)O)C1CC1 7a_100000744524_100000702414 [0,0,0,1,0,0|2,0,1]=4 910 B12R1.3183 CN(CCCC(C)(C)O)C1CC1 2230a_100000226674_100009888830 [0,0,0,1,0,0|2,0,1]=4 911 B12R1.3183 CN(CCCC(C)(C)O)C1CC1 269982a_100000226674_100009888830 [0,0,0,1,0,0|2,0,1]=4 912 B10R0.109 C#CCC(C)OCC(C)(C)O 34a_100000685586_100000764493 [0,0,0,0,1,0|2,0,1]=4 913 B10R0.109 C#CCC(C)OCC(C)(C)O 7a_100000685586_100000764493 [0,0,0,0,1,0|2,0,1]=4 914 B10R0.109 C#CCN(C)CCC(C)(C)O 2230a_100000225692_100000702414 [0,0,0,0,1,0|2,0,1]=4 915 B10R0.109 C#CCN(C)CCC(C)(C)O 34a_100000225692_100000702414 [0,0,0,0,1,0|2,0,1]=4 916 B10R0.109 C/C=C/C(C)OCC(C)(C)O 34a_200102604097_100000764493 [0,0,0,0,1,0|2,0,1]=4 917 B10R0.109 C=CCC(C)COC(C)(C)C 34a_100009832082_100000210625 [0,0,0,0,1,0|3,0,0]=4 918 B10R0.109 C=CCN(C)CCC(C)(C)C 2230a_100000225617_100000755188 [0,0,0,0,1,0|3,0,0]=4 919 B10R0.109 C=CCN(C)CCC(C)(C)C 269982a_100000225617_100000755188 [0,0,0,0,1,0|3,0,0]=4 920 B10R0.109 C=CCN(C)CCC(C)(C)O 2230a_100000225617_100000702414 [0,0,0,0,1,0|2,0,0]=3 921 B10R0.109 C=CC[C@@H](C)OCC(C)(C)C 34a_100000731007_100011219605 [0,0,0,0,1,0|3,0,0]=4 922 B10R0.109 C=CC[C@@H](C)OCC(C)(C)F 34a_100000731007_100011997219 [0,0,0,0,1,0|3,0,0]=4 923 B10R0.109 C=CC[C@@H](C)OCC(C)(C)O 34a_100000731007_100000764493 [0,0,0,0,1,0|2,0,0]=3 924 B10R0.109 C=CC[C@@H](C)OCC(C)(C)O 7a_100000731007_100000764493 [0,0,0,0,1,0|2,0,0]=3 925 B10R0.109 CC(CC#N)NCC(C)(C)O 2230a_100000751335_100009813641 [0,0,0,0,1,0|2,0,1]=4 926 B10R0.109 CC(CC#N)SCC(C)(C)O 62a_100000764493_100009813641 [0,0,0,0,1,0|2,0,1]=4 927 B10R0.109 CC(CC#N)SCC(C)(C)O 62a_100009813641_100000764493 [0,0,0,0,1,0|2,0,1]=4 928 B10R0.109 CC(CCBr)OCC(C)(C)O 34a_100012276601_100000764493 [0,0,0,0,1,0|2,0,1]=4 929 B10R0.109 CC(CCO)NCC(C)(C)O 2230a_100000751335_100009893172 [0,0,0,0,1,0|1,0,2]=4 930 B10R0.109 CC(CCO)SCC(C)(C)O 62a_100000764493_100009893172 [0,0,0,0,1,0|1,0,2]=4 931 B10R0.109 CC(CCO)SCC(C)(C)O 62a_100009893172_100000764493 [0,0,0,0,1,0|1,0,2]=4 932 B10R0.109 CCCC(C)NCC(C)(C)O 2230a_100000751335_100000766640 [0,0,0,0,1,0|2,0,1]=4 933 B10R0.109 CCCC(C)NCC(C)(C)O 270004a_100000751335_100000211909 [0,0,0,0,1,0|2,0,1]=4 934 B10R0.109 CCCC(C)OCC(C)(C)O 34a_100000764384_100000764493 [0,0,0,0,1,0|2,0,1]=4 935 B10R0.109 CCCC(C)OCC(C)(C)O 7a_100000764384_100000764493 [0,0,0,0,1,0|2,0,1]=4 936 B10R0.109 CCCC(C)SCC(C)(C)O 62a_100000764493_100000766640 [0,0,0,0,1,0|2,0,1]=4 937 B10R0.109 CCCC(C)SCC(C)(C)O 62a_100000766640_100000764493 [0,0,0,0,1,0|2,0,1]=4 938 B10R0.109 CCCN(C)CCC(C)(C)O 2230a_100000747261_100000702414 [0,0,0,0,1,0|2,0,1]=4 939 B10R0.109 CN(CC#N)CCC(C)(C)O 2230a_100000748184_100000702414 [0,0,0,0,1,0|2,0,1]=4 940 B10R0.109 CN(CCO)CCC(C)(C)O 2230a_100000210263_100000702414 [0,0,0,0,1,0|1,0,2]=4 941 B10R0.109 COCC(C)NCC(C)(C)O 2230a_100000751335_100000765312 [0,0,0,0,1,0|3,0,0]=4 942 B10R0.109 COCC(C)NCC(C)(C)O 270004a_100000751335_100000749346 [0,0,0,0,1,0|3,0,0]=4 943 B10R0.109 COCC(C)SCC(C)(C)O 62a_100000764493_100000765312 [0,0,0,0,1,0|3,0,0]=4 944 B10R0.109 COCC(C)SCC(C)(C)O 62a_100000765312_100000764493 [0,0,0,0,1,0|3,0,0]=4 945 B10R0.109 COC[C@@H](C)OCC(C)(C)O 34a_100011934205_100000764493 [0,0,0,0,1,0|3,0,0]=4 946 B10R0.109 CSCC(C)NCC(C)(C)O 270004a_100000751335_100011216314 [0,0,0,0,1,0|3,0,0]=4 947 B10R0.109 C[C@H](CCO)NCC(C)(C)O 34a_100000706166_100000764493 [0,0,0,0,1,0|1,0,2]=4 948 B12R0.72 C#CCC(C)OCCCC(C)(C)O 34a_100000685586_100009888830 [0,0,0,0,0,1|1,0,1]=3 949 B12R0.72 C#CCC(C)OCCCC(C)(C)O 7a_100000685586_100009888830 [0,0,0,0,0,1|1,0,1]=3 950 B12R0.72 C/C=C/C(C)OCCCC(C)(C)O 34a_200102604097_100009888830 [0,0,0,0,0,1|1,0,1]=3 951 B12R0.72 C=CCC(C)COCCC(C)(C)C 34a_100009832082_100000755188 [0,0,0,0,0,1|2,0,0]=3 952 B12R0.72 C=CCC(C)COCCC(C)(C)C 7a_100009832082_100000755188 [0,0,0,0,0,1|2,0,0]=3 953 B12R0.72 C=CCC(C)COCCC(C)(C)O 34a_100009832082_100000702414 [0,0,0,0,0,1|1,0,0]=2 954 B12R0.72 C=CCC(C)COCCC(C)(C)O 7a_100009832082_100000702414 [0,0,0,0,0,1|1,0,0]=2 955 B12R0.72 C=CCC(C)COCC[N+](C)(C)C 34a_100009832082_100000085578 [0,0,0,0,0,1|3,0,0]=4 956 B12R0.72 C=CCC(C)COCC[N+](C)(C)C 7a_100009832082_100000085578 [0,0,0,0,0,1|3,0,0]=4 957 B12R0.72 C=CCC(C)COCC[Si](C)(C)C 34a_100009832082_200000733723 [0,0,0,0,0,1|2,1,0]=4 958 B12R0.72 C=CCC(C)COCC[Si](C)(C)C 7a_100009832082_200000733723 [0,0,0,0,0,1|2,1,0]=4 959 B12R0.72 C=CC[C@@H](C)OCCCC(C)(C)O 34a_100000731007_100009888830 [0,0,0,0,0,1|1,0,0]=2 960 B12R0.72 C=CC[C@@H](C)OCCCC(C)(C)O 7a_100000731007_100009888830 [0,0,0,0,0,1|1,0,0]=2 961 B12R0.72 C=CC[C@@H](C)OCCC[N+](C)(C)C 34a_100000731007_100016990835 [0,0,0,0,0,1|3,0,0]=4 962 B12R0.72 C=CC[C@@H](C)OCCC[N+](C)(C)C 7a_100000731007_100016990835 [0,0,0,0,0,1|3,0,0]=4 963 B12R0.72 C=CC[C@@H](C)OCCC[Si](C)(C)C 34a_100000731007_100011219597 [0,0,0,0,0,1|2,1,0]=4 964 B12R0.72 C=CC[C@@H](C)OCCC[Si](C)(C)C 7a_100000731007_100011219597 [0,0,0,0,0,1|2,1,0]=4 965 B12R0.72 C=CC[C@@H](N)COCCC(C)(C)C 34a_100020615467_100000755188 [0,0,0,0,0,1|3,0,0]=4 966 B12R0.72 C=CC[C@@H](N)COCCC(C)(C)O 34a_100020615467_100000702414 [0,0,0,0,0,1|2,0,0]=3 967 B12R0.72 CC#CC(C)OCCCC(C)(C)O 34a_100011216543_100009888830 [0,0,0,0,0,1|1,0,2]=4 968 B12R0.72 CC(C)(O)CCSC[C@@H](O)CC#N 62a_100000001066_100000702414 [0,0,0,0,0,1|2,0,1]=4 969 B12R0.72 CC(C)(O)CCSC[C@@H](O)CC#N 62a_100000702414_100000001066 [0,0,0,0,0,1|2,0,1]=4 970 B12R0.72 CC(CC#N)SCCCC(C)(C)O 62a_100009813641_100009888830 [0,0,0,0,0,1|1,0,1]=3 971 B12R0.72 CC(CC#N)SCCCC(C)(C)O 62a_100009888830_100009813641 [0,0,0,0,0,1|1,0,1]=3 972 B12R0.72 CC(CCBr)OCCCC(C)(C)O 34a_100012276601_100009888830 [0,0,0,0,0,1|1,0,1]=3 973 B12R0.72 CC(CCN)COCCC(C)(C)C 34a_106354213184_100000755188 [0,0,0,0,0,1|2,0,1]=4 974 B12R0.72 CC(CCN)COCCC(C)(C)O 34a_106354213184_100000702414 [0,0,0,0,0,1|1,0,1]=3 975 B12R0.72 CC(CCO)SCCCC(C)(C)O 62a_100009888830_100009893172 [0,0,0,0,0,1|0,0,2]=3 976 B12R0.72 CC(CCO)SCCCC(C)(C)O 62a_100009893172_100009888830 [0,0,0,0,0,1|0,0,2]=3 977 B12R0.72 CCCC(C)CCCOC(C)(C)C 34a_100011713154_100000210625 [0,0,0,0,0,1|2,0,1]=4 978 B12R0.72 CCCC(C)CCOCC(C)(C)C 34a_100011217855_100011219605 [0,0,0,0,0,1|2,0,1]=4 979 B12R0.72 CCCC(C)CCOCC(C)(C)F 34a_100011217855_100011997219 [0,0,0,0,0,1|2,0,1]=4 980 B12R0.72 CCCC(C)CCOCC(C)(C)O 34a_100011217855_100000764493 [0,0,0,0,0,1|1,0,1]=3 981 B12R0.72 CCCC(C)CCOCC(C)(C)O 7a_100011217855_100000764493 [0,0,0,0,0,1|1,0,1]=3 982 B12R0.72 CCCC(C)CNCCC(C)(C)C 2230a_100000738805_100011216630 [0,0,0,0,0,1|2,0,1]=4 983 B12R0.72 CCCC(C)CNCCC(C)(C)C 270004a_100000738805_100000243154 [0,0,0,0,0,1|2,0,1]=4 984 B12R0.72 CCCC(C)CNCCC(C)(C)F 2230a_100016253952_100011216630 [0,0,0,0,0,1|2,0,1]=4 985 B12R0.72 CCCC(C)CNCCC(C)(C)F 270004a_100016253952_100000243154 [0,0,0,0,0,1|2,0,1]=4 986 B12R0.72 CCCC(C)CNCCC(C)(C)O 270004a_100000707701_100000243154 [0,0,0,0,0,1|1,0,1]=3 987 B12R0.72 CCCC(C)COCCC(C)(C)C 34a_100000688023_100000755188 [0,0,0,0,0,1|2,0,1]=4 988 B12R0.72 CCCC(C)COCCC(C)(C)C 7a_100000688023_100000755188 [0,0,0,0,0,1|2,0,1]=4 989 B12R0.72 CCCC(C)COCCC(C)(C)C 7a_100000765024_100011216630 [0,0,0,0,0,1|2,0,1]=4 990 B12R0.72 CCCC(C)COCCC(C)(C)O 34a_100000688023_100000702414 [0,0,0,0,0,1|1,0,1]=3 991 B12R0.72 CCCC(C)COCCC(C)(C)O 7a_100000688023_100000702414 [0,0,0,0,0,1|1,0,1]=3 992 B12R0.72 CCCC(C)CSCCC(C)(C)C 62a_100000755188_100011216630 [0,0,0,0,0,1|2,0,1]=4 993 B12R0.72 CCCC(C)CSCCC(C)(C)C 62a_100011216630_100000755188 [0,0,0,0,0,1|2,0,1]=4 994 B12R0.72 CCCC(C)CSCCC(C)(C)O 62a_100000702414_100011216630 [0,0,0,0,0,1|1,0,1]=3 995 B12R0.72 CCCC(C)CSCCC(C)(C)O 62a_100011216630_100000702414 [0,0,0,0,0,1|1,0,1]=3 996 B12R0.72 CCCC(C)NCCCC(C)(C)O 2230a_100000741246_100009888830 [0,0,0,0,0,1|1,0,1]=3 997 B12R0.72 CCCC(C)OCCCC(C)(C)O 34a_100000764384_100009888830 [0,0,0,0,0,1|1,0,1]=3 998 B12R0.72 CCCC(C)OCCCC(C)(C)O 7a_100000764384_100009888830 [0,0,0,0,0,1|1,0,1]=3 999 B12R0.72 CCCC(C)SCCCC(C)(C)O 62a_100000766640_100009888830 [0,0,0,0,0,1|1,0,1]=3 1000 B12R0.72 CCCC(C)SCCCC(C)(C)O 62a_100009888830_100000766640 [0,0,0,0,0,1|1,0,1]=3 1001 B12R0.72 CCC[C@H](N)CCOCC(C)(C)O 34a_100015193777_100000764493 [0,0,0,0,0,1|2,0,1]=4 1002 B12R0.72 CCC[C@H](N)COCCC(C)(C)O 34a_100000732646_100000702414 [0,0,0,0,0,1|2,0,1]=4 1003 B12R0.72 COCC(C)SCCCC(C)(C)O 62a_100000765312_100009888830 [0,0,0,0,0,1|2,0,0]=3 1004 B12R0.72 COCC(C)SCCCC(C)(C)O 62a_100009888830_100000765312 [0,0,0,0,0,1|2,0,0]=3 1005 B12R0.72 COCC(N)COCCC(C)(C)O 34a_100000724102_100000702414 [0,0,0,0,0,1|3,0,0]=4 1006 B12R0.72 COCC(O)CNCCC(C)(C)O 2230a_100000756049_100000702414 [0,0,0,0,0,1|3,0,0]=4 1007 B12R0.72 COCC(O)CNCCC(C)(C)O 34a_100000756049_100000702414 [0,0,0,0,0,1|3,0,0]=4 1008 B12R0.72 COCC(O)CSCCC(C)(C)O 62a_100000702414_100011215053 [0,0,0,0,0,1|3,0,0]=4 1009 B12R0.72 COCC(O)CSCCC(C)(C)O 62a_100011215053_100000702414 [0,0,0,0,0,1|3,0,0]=4 1010 B12R0.72 COC[C@@H](C)NCCCC(C)(C)O 2230a_100000764878_100009888830 [0,0,0,0,0,1|2,0,0]=3 1011 B12R0.72 COC[C@@H](C)OCCCC(C)(C)O 34a_100011934205_100009888830 [0,0,0,0,0,1|2,0,0]=3 1012 B12R0.72 C[C@@H](CC#N)NCCCC(C)(C)O 2230a_100016994482_100009888830 [0,0,0,0,0,1|1,0,1]=3 1013 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 2230a_100000706166_100009888830 [0,0,0,0,0,1|0,0,2]=3 1014 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 34a_100000706166_100009888830 [0,0,0,0,0,1|0,0,2]=3 1015 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [2,0,0,0,0,0|1,0,1]=4 1016 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [2,0,0,0,0,0|1,0,1]=4 1017 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [2,0,0,0,0,0|1,0,1]=4 1018 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [2,0,0,0,0,0|1,0,1]=4 1019 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [2,0,0,0,0,0|1,0,1]=4 1020 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [2,0,0,0,0,0|1,0,1]=4 1021 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [2,0,0,0,0,0|1,0,1]=4 1022 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [2,0,0,0,0,0|1,0,1]=4 1023 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [2,0,0,0,0,0|1,0,1]=4 1024 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [2,0,0,0,0,0|1,0,1]=4 1025 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [2,0,0,0,0,0|1,0,1]=4 1026 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [2,0,0,0,0,0|1,0,1]=4 1027 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [2,0,0,0,0,0|1,0,1]=4 1028 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [2,0,0,0,0,0|2,0,0]=4 1029 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [2,0,0,0,0,0|1,0,1]=4 1030 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [2,0,0,0,0,0|1,0,1]=4 1031 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [2,0,0,0,0,0|2,0,0]=4 1032 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [2,0,0,0,0,0|2,0,0]=4 1033 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [2,0,0,0,0,0|2,0,0]=4 1034 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [2,0,0,0,0,0|1,0,1]=4 1035 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [2,0,0,0,0,0|1,0,1]=4 1036 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [2,0,0,0,0,0|1,0,1]=4 1037 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [2,0,0,0,0,0|1,0,1]=4 1038 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [2,0,0,0,0,0|1,0,1]=4 1039 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [2,0,0,0,0,0|1,0,1]=4 1040 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [2,0,0,0,0,0|1,0,1]=4 1041 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [2,0,0,0,0,0|1,0,1]=4 1042 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [2,0,0,0,0,0|2,0,0]=4 1043 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [2,0,0,0,0,0|1,0,1]=4 1044 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [2,0,0,0,0,0|1,0,1]=4 1045 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [2,0,0,0,0,0|1,0,1]=4 1046 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [2,0,0,0,0,0|2,0,0]=4 1047 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [2,0,0,0,0,0|1,0,1]=4 1048 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [2,0,0,0,0,0|1,0,1]=4 1049 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [2,0,0,0,0,0|1,0,1]=4 1050 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [2,0,0,0,0,0|1,0,1]=4 1051 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [2,0,0,0,0,0|1,0,1]=4 1052 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [2,0,0,0,0,0|2,0,0]=4 1053 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [2,0,0,0,0,0|2,0,0]=4 1054 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [2,0,0,0,0,0|2,0,0]=4 1055 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [2,0,0,0,0,0|1,0,1]=4 1056 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [2,0,0,0,0,0|1,0,1]=4 1057 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [2,0,0,0,0,0|1,0,1]=4 1058 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [2,0,0,0,0,0|1,0,1]=4 1059 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [2,0,0,0,0,0|1,0,1]=4 1060 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [2,0,0,0,0,0|1,0,1]=4 1061 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [2,0,0,0,0,0|2,0,0]=4 1062 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [2,0,0,0,0,0|1,0,1]=4 1063 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [2,0,0,0,0,0|1,0,1]=4 1064 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [2,0,0,0,0,0|1,0,1]=4 1065 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [2,0,0,0,0,0|1,0,1]=4 1066 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [2,0,0,0,0,0|1,0,1]=4 1067 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [2,0,0,0,0,0|1,0,1]=4 1068 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [2,0,0,0,0,0|1,0,1]=4 1069 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [2,0,0,0,0,0|1,0,1]=4 1070 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [2,0,0,0,0,0|1,0,1]=4 1071 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [2,0,0,0,0,0|1,0,1]=4 1072 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [2,0,0,0,0,0|1,0,1]=4 1073 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [2,0,0,0,0,0|1,0,1]=4 1074 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [2,0,0,0,0,0|1,0,1]=4 1075 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [2,0,0,0,0,0|1,0,1]=4 1076 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [2,0,0,0,0,0|1,0,1]=4 1077 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [2,0,0,0,0,0|1,0,1]=4 1078 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [2,0,0,0,0,0|1,0,1]=4 1079 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [2,0,0,0,0,0|1,0,1]=4 1080 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [2,0,0,0,0,0|1,0,1]=4 1081 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [2,0,0,0,0,0|1,0,1]=4 1082 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [2,0,0,0,0,0|1,0,1]=4 1083 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [2,0,0,0,0,0|1,0,1]=4 1084 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [2,0,0,0,0,0|1,0,1]=4 1085 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [2,0,0,0,0,0|1,0,1]=4 1086 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [2,0,0,0,0,0|1,0,1]=4 1087 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [2,0,0,0,0,0|1,0,1]=4 1088 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [2,0,0,0,0,0|1,0,1]=4 1089 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [2,0,0,0,0,0|1,0,1]=4 1090 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [2,0,0,0,0,0|1,0,1]=4 1091 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [2,0,0,0,0,0|1,0,1]=4 1092 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [2,0,0,0,0,0|1,0,1]=4 1093 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [2,0,0,0,0,0|1,0,1]=4 1094 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [2,0,0,0,0,0|1,0,1]=4 1095 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [2,0,0,0,0,0|1,0,1]=4 1096 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [2,0,0,0,0,0|1,0,1]=4 1097 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [2,0,0,0,0,0|1,0,1]=4 1098 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [2,0,0,0,0,0|1,0,1]=4 1099 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [2,0,0,0,0,0|1,0,1]=4 1100 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [2,0,0,0,0,0|1,0,1]=4 1101 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [2,0,0,0,0,0|1,0,1]=4 1102 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [2,0,0,0,0,0|1,0,1]=4 1103 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [2,0,0,0,0,0|1,0,1]=4 1104 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [2,0,0,0,0,0|1,0,1]=4 1105 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [2,0,0,0,0,0|1,0,1]=4 1106 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [2,0,0,0,0,0|1,0,1]=4 1107 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [2,0,0,0,0,0|1,0,1]=4 1108 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [2,0,0,0,0,0|1,0,1]=4 1109 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [2,0,0,0,0,0|1,0,1]=4 1110 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [2,0,0,0,0,0|1,0,1]=4 1111 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [2,0,0,0,0,0|1,0,1]=4 1112 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [2,0,0,0,0,0|1,0,1]=4 1113 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [2,0,0,0,0,0|1,0,1]=4 1114 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [2,0,0,0,0,0|1,0,1]=4 1115 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [2,0,0,0,0,0|1,0,1]=4 1116 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [2,0,0,0,0,0|1,0,1]=4 1117 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [2,0,0,0,0,0|1,0,1]=4 1118 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [2,0,0,0,0,0|1,0,1]=4 1119 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [2,0,0,0,0,0|2,0,0]=4 1120 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [2,0,0,0,0,0|2,0,0]=4 1121 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [2,0,0,0,0,0|2,0,0]=4 1122 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [2,0,0,0,0,0|2,0,0]=4 1123 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [2,0,0,0,0,0|2,0,0]=4 1124 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [2,0,0,0,0,0|2,0,0]=4 1125 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [2,0,0,0,0,0|2,0,0]=4 1126 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [2,0,0,0,0,0|2,0,0]=4 1127 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [2,0,0,0,0,0|2,0,0]=4 1128 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [2,0,0,0,0,0|2,0,0]=4 1129 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [2,0,0,0,0,0|2,0,0]=4 1130 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [2,0,0,0,0,0|2,0,0]=4 1131 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [2,0,0,0,0,0|2,0,0]=4 1132 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [2,0,0,0,0,0|2,0,0]=4 1133 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [2,0,0,0,0,0|2,0,0]=4 1134 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [2,0,0,0,0,0|2,0,0]=4 1135 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [2,0,0,0,0,0|2,0,0]=4 1136 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [2,0,0,0,0,0|2,0,0]=4 1137 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [2,0,0,0,0,0|2,0,0]=4 1138 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [2,0,0,0,0,0|2,0,0]=4 1139 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [2,0,0,0,0,0|2,0,0]=4 1140 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [2,0,0,0,0,0|2,0,0]=4 1141 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [2,0,0,0,0,0|2,0,0]=4 1142 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [2,0,0,0,0,0|2,0,0]=4 1143 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [2,0,0,0,0,0|2,0,0]=4 1144 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [2,0,0,0,0,0|2,0,0]=4 1145 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [2,0,0,0,0,0|2,0,0]=4 1146 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [2,0,0,0,0,0|2,0,0]=4 1147 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [2,0,0,0,0,0|2,0,0]=4 1148 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [2,0,0,0,0,0|2,0,0]=4 1149 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [2,0,0,0,0,0|2,0,0]=4 1150 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [2,0,0,0,0,0|2,0,0]=4 1151 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [2,0,0,0,0,0|2,0,0]=4 1152 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [2,0,0,0,0,0|2,0,0]=4 1153 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [2,0,0,0,0,0|2,0,0]=4 1154 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [2,0,0,0,0,0|2,0,0]=4 1155 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [2,0,0,0,0,0|2,0,0]=4 1156 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [2,0,0,0,0,0|2,0,0]=4 1157 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [2,0,0,0,0,0|2,0,0]=4 1158 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [2,0,0,0,0,0|2,0,0]=4 1159 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [2,0,0,0,0,0|2,0,0]=4 1160 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [2,0,0,0,0,0|2,0,0]=4 1161 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [2,0,0,0,0,0|2,0,0]=4 1162 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [2,0,0,0,0,0|2,0,0]=4 1163 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [2,0,0,0,0,0|2,0,0]=4 1164 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [2,0,0,0,0,0|2,0,0]=4 1165 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [2,0,0,0,0,0|2,0,0]=4 1166 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [2,0,0,0,0,0|2,0,0]=4 1167 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [2,0,0,0,0,0|2,0,0]=4 1168 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [2,0,0,0,0,0|2,0,0]=4 1169 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [2,0,0,0,0,0|2,0,0]=4 1170 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [2,0,0,0,0,0|2,0,0]=4 1171 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [2,0,0,0,0,0|2,0,0]=4 1172 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [2,0,0,0,0,0|2,0,0]=4 1173 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [2,0,0,0,0,0|2,0,0]=4 1174 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [2,0,0,0,0,0|2,0,0]=4 1175 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [2,0,0,0,0,0|2,0,0]=4 1176 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [2,0,0,0,0,0|2,0,0]=4 1177 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [2,0,0,0,0,0|2,0,0]=4 1178 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [2,0,0,0,0,0|2,0,0]=4 1179 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [2,0,0,0,0,0|2,0,0]=4 1180 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [2,0,0,0,0,0|2,0,0]=4 1181 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [2,0,0,0,0,0|2,0,0]=4 1182 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [2,0,0,0,0,0|2,0,0]=4 1183 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [2,0,0,0,0,0|2,0,0]=4 1184 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [2,0,0,0,0,0|1,0,0]=3 1185 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [2,0,0,0,0,0|1,0,0]=3 1186 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [2,0,0,0,0,0|1,0,0]=3 1187 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [2,0,0,0,0,0|1,0,0]=3 1188 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [2,0,0,0,0,0|1,0,0]=3 1189 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [2,0,0,0,0,0|1,0,0]=3 1190 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [2,0,0,0,0,0|1,0,0]=3 1191 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [2,0,0,0,0,0|1,0,0]=3 1192 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [2,0,0,0,0,0|1,0,0]=3 1193 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [2,0,0,0,0,0|1,0,0]=3 1194 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [2,0,0,0,0,0|2,0,0]=4 1195 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [2,0,0,0,0,0|2,0,0]=4 1196 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [2,0,0,0,0,0|2,0,0]=4 1197 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [2,0,0,0,0,0|2,0,0]=4 1198 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [2,0,0,0,0,0|2,0,0]=4 1199 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [2,0,0,0,0,0|2,0,0]=4 1200 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [2,0,0,0,0,0|2,0,0]=4 1201 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [2,0,0,0,0,0|1,0,0]=3 1202 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [2,0,0,0,0,0|1,0,0]=3 1203 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [2,0,0,0,0,0|2,0,0]=4 1204 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [2,0,0,0,0,0|2,0,0]=4 1205 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [2,0,0,0,0,0|2,0,0]=4 1206 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [2,0,0,0,0,0|2,0,0]=4 1207 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [2,0,0,0,0,0|2,0,0]=4 1208 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [2,0,0,0,0,0|2,0,0]=4 1209 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [2,0,0,0,0,0|1,0,0]=3 1210 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [2,0,0,0,0,0|1,0,0]=3 1211 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [2,0,0,0,0,0|1,0,0]=3 1212 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [2,0,0,0,0,0|1,0,0]=3 1213 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [2,0,0,0,0,0|1,0,0]=3 1214 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [2,0,0,0,0,0|1,0,0]=3 1215 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [2,0,0,0,0,0|1,0,0]=3 1216 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [2,0,0,0,0,0|2,0,0]=4 1217 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [2,0,0,0,0,0|2,0,0]=4 1218 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [2,0,0,0,0,0|2,0,0]=4 1219 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [2,0,0,0,0,0|2,0,0]=4 1220 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [2,0,0,0,0,0|2,0,0]=4 1221 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [2,0,0,0,0,0|2,0,0]=4 1222 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [2,0,0,0,0,0|2,0,0]=4 1223 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [2,0,0,0,0,0|2,0,0]=4 1224 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [2,0,0,0,0,0|2,0,0]=4 1225 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [2,0,0,0,0,0|2,0,0]=4 1226 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [2,0,0,0,0,0|2,0,0]=4 1227 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [2,0,0,0,0,0|1,0,0]=3 1228 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [2,0,0,0,0,0|1,0,0]=3 1229 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [2,0,0,0,0,0|2,0,0]=4 1230 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [2,0,0,0,0,0|2,0,0]=4 1231 B9R0.5 C=CCC(C)COCCO 34a_100009832082_100000211926 [2,0,0,0,0,0|2,0,0]=4 1232 B9R0.5 C=CCC(C)COCCO 7a_100009832082_100000211926 [2,0,0,0,0,0|2,0,0]=4 1233 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [2,0,0,0,0,0|2,0,0]=4 1234 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [2,0,0,0,0,0|2,0,0]=4 1235 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [2,0,0,0,0,0|2,0,0]=4 1236 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [2,0,0,0,0,0|2,0,0]=4 1237 B9R0.5 C=CCN(C)CCCCO 2230a_100000225617_100000210776 [2,0,0,0,0,0|2,0,0]=4 1238 B9R0.5 C=CCN(C)CCCCO 2230a_100000717598_100000210623 [2,0,0,0,0,0|2,0,0]=4 1239 B9R0.5 C=CCN(C)CCCCO 269982a_100000225617_100000210776 [2,0,0,0,0,0|2,0,0]=4 1240 B9R0.5 C=CCN(C)CCCCO 269982a_100000717598_100000210623 [2,0,0,0,0,0|2,0,0]=4 1241 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [2,0,0,0,0,0|2,0,0]=4 1242 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [2,0,0,0,0,0|2,0,0]=4 1243 B9R0.5 C=CC[C@@H](C)OCCCO 34a_100000731007_100000230001 [2,0,0,0,0,0|2,0,0]=4 1244 B9R0.5 C=CC[C@@H](C)OCCCO 7a_100000731007_100011215043 [2,0,0,0,0,0|2,0,0]=4 1245 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [2,0,0,0,0,0|1,0,0]=3 1246 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [2,0,0,0,0,0|1,0,0]=3 1247 B9R0.5 CN(CC=O)CCCCO 2230a_100000717598_200015260668 [2,0,0,0,0,0|1,0,0]=3 1248 B9R0.5 CN(CC=O)CCCCO 269982a_100000717598_200015260668 [2,0,0,0,0,0|1,0,0]=3 1249 B9R0.5 COCCCN(C)CC=O 2230a_100000224831_200015260668 [2,0,0,0,0,0|2,0,0]=4 1250 B9R0.5 COCCCN(C)CC=O 269982a_100000224831_200015260668 [2,0,0,0,0,0|2,0,0]=4 1251 B9R0.38 C=CCCNCC(C)(C)O 2230a_100000751335_100000754431 [2,0,0,0,0,0|1,0,1]=4 1252 B9R0.38 C=CCCOCC(C)(C)O 34a_100011205117_100000764493 [2,0,0,0,0,0|1,0,1]=4 1253 B9R0.38 C=CCCSCC(C)(C)O 62a_100000754431_100000764493 [2,0,0,0,0,0|1,0,1]=4 1254 B9R0.38 C=CCCSCC(C)(C)O 62a_100000764493_100000754431 [2,0,0,0,0,0|1,0,1]=4 1255 B9R0.38 C=CCNCCC(C)(C)O 2230a_100020586998_100000702414 [2,0,0,0,0,0|1,0,1]=4 1256 B9R0.38 C=CCOCCC(C)(C)O 34a_200000210373_100000702414 [2,0,0,0,0,0|1,0,1]=4 1257 B9R0.38 C=CCSCCC(C)(C)O 62a_100000210623_100000702414 [2,0,0,0,0,0|1,0,1]=4 1258 B9R0.38 C=CCSCCC(C)(C)O 62a_100000702414_100000210623 [2,0,0,0,0,0|1,0,1]=4 1259 B9R0.38 CC(C)(C)CCNCC=O 2230a_100000738805_200015260668 [2,0,0,0,0,0|2,0,0]=4 1260 B9R0.38 CC(C)(C)CCOCC=O 7a_100000765024_200015260668 [2,0,0,0,0,0|2,0,0]=4 1261 B9R0.38 CC(C)(C)CCSCC=O 62a_100000755188_200015260668 [2,0,0,0,0,0|2,0,0]=4 1262 B9R0.38 CC(C)(C)CCSCC=O 62a_200015260668_100000755188 [2,0,0,0,0,0|2,0,0]=4 1263 B9R0.38 CC(C)(C)NCCCC=O 2230a_100000715429_200011292268 [2,0,0,0,0,0|2,0,0]=4 1264 B9R0.38 CC(C)(C)OCCCC=O 7a_100015890283_200011292268 [2,0,0,0,0,0|2,0,0]=4 1265 B9R0.38 CC(C)(C)SCCCC=O 62a_100000211941_200011292268 [2,0,0,0,0,0|2,0,0]=4 1266 B9R0.38 CC(C)(C)SCCCC=O 62a_200011292268_100000211941 [2,0,0,0,0,0|2,0,0]=4 1267 B9R0.38 CC(C)(F)CCNCC=O 2230a_100016253952_200015260668 [2,0,0,0,0,0|2,0,0]=4 1268 B9R0.38 CC(C)(O)CCCSCF 62a_100009888830_100015361967 [2,0,0,0,0,0|2,0,0]=4 1269 B9R0.38 CC(C)(O)CCCSCF 62a_100015361967_100009888830 [2,0,0,0,0,0|2,0,0]=4 1270 B9R0.38 CC(C)(O)CCNCCF 34a_100000724931_100000702414 [2,0,0,0,0,0|2,0,0]=4 1271 B9R0.38 CC(C)(O)CCNCCO 2230a_100016997473_100000702414 [2,0,0,0,0,0|1,0,1]=4 1272 B9R0.38 CC(C)(O)CCNCCO 34a_100016990907_100000702414 [2,0,0,0,0,0|1,0,1]=4 1273 B9R0.38 CC(C)(O)CCOCCBr 34a_100000211926_100000702414 [2,0,0,0,0,0|2,0,0]=4 1274 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [2,0,0,0,0,0|2,0,0]=4 1275 B9R0.38 CC(C)(O)CCSCC=O 62a_100000702414_200015260668 [2,0,0,0,0,0|1,0,0]=3 1276 B9R0.38 CC(C)(O)CCSCC=O 62a_200015260668_100000702414 [2,0,0,0,0,0|1,0,0]=3 1277 B9R0.38 CC(C)(O)CCSCCF 62a_100000702414_100011217306 [2,0,0,0,0,0|2,0,0]=4 1278 B9R0.38 CC(C)(O)CCSCCF 62a_100011217306_100000702414 [2,0,0,0,0,0|2,0,0]=4 1279 B9R0.38 CC(C)(O)CCSCCO 62a_100000211926_100000702414 [2,0,0,0,0,0|1,0,1]=4 1280 B9R0.38 CC(C)(O)CCSCCO 62a_100000702414_100000211926 [2,0,0,0,0,0|1,0,1]=4 1281 B9R0.38 CC(C)(O)CNCCCF 2230a_100000751335_100011934791 [2,0,0,0,0,0|2,0,0]=4 1282 B9R0.38 CC(C)(O)CNCCCF 34a_100015189416_100000764493 [2,0,0,0,0,0|2,0,0]=4 1283 B9R0.38 CC(C)(O)CNCCCO 2230a_100000751335_100000230001 [2,0,0,0,0,0|1,0,1]=4 1284 B9R0.38 CC(C)(O)COCCCBr 34a_100011217188_100000764493 [2,0,0,0,0,0|2,0,0]=4 1285 B9R0.38 CC(C)(O)COCCCCl 34a_100000230001_100000764493 [2,0,0,0,0,0|2,0,0]=4 1286 B9R0.38 CC(C)(O)COCCCF 34a_100000759539_100000764493 [2,0,0,0,0,0|2,0,0]=4 1287 B9R0.38 CC(C)(O)COCCCN 34a_100000182051_100000764493 [2,0,0,0,0,0|2,0,0]=4 1288 B9R0.38 CC(C)(O)CSCCCF 62a_100000764493_100011934791 [2,0,0,0,0,0|2,0,0]=4 1289 B9R0.38 CC(C)(O)CSCCCF 62a_100011934791_100000764493 [2,0,0,0,0,0|2,0,0]=4 1290 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [2,0,0,0,0,0|1,0,1]=4 1291 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [2,0,0,0,0,0|1,0,1]=4 1292 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [2,0,0,0,0,0|1,0,1]=4 1293 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [2,0,0,0,0,0|1,0,1]=4 1294 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [2,0,0,0,0,0|1,0,1]=4 1295 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [2,0,0,0,0,0|1,0,1]=4 1296 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [2,0,0,0,0,0|1,0,1]=4 1297 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [2,0,0,0,0,0|1,0,1]=4 1298 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [2,0,0,0,0,0|1,0,1]=4 1299 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [2,0,0,0,0,0|1,0,1]=4 1300 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [2,0,0,0,0,0|1,0,1]=4 1301 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [2,0,0,0,0,0|1,0,1]=4 1302 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [2,0,0,0,0,0|1,0,1]=4 1303 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [2,0,0,0,0,0|1,0,1]=4 1304 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [2,0,0,0,0,0|1,0,1]=4 1305 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [2,0,0,0,0,0|1,0,1]=4 1306 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [2,0,0,0,0,0|1,0,1]=4 1307 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [2,0,0,0,0,0|1,0,1]=4 1308 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [2,0,0,0,0,0|1,0,1]=4 1309 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [2,0,0,0,0,0|1,0,1]=4 1310 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [2,0,0,0,0,0|1,0,1]=4 1311 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [2,0,0,0,0,0|1,0,1]=4 1312 B9R0.56 CC(Br)COCC(C)(C)O 34a_100012180447_100000764493 [2,0,0,0,0,0|2,0,0]=4 1313 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [2,0,0,0,0,0|2,0,0]=4 1314 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [2,0,0,0,0,0|2,0,0]=4 1315 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [2,0,0,0,0,0|2,0,0]=4 1316 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [2,0,0,0,0,0|2,0,0]=4 1317 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [2,0,0,0,0,0|2,0,0]=4 1318 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [2,0,0,0,0,0|2,0,0]=4 1319 B9R0.56 CC(C)CNCC(C)(C)C 2230a_100000743828_100000210760 [2,0,0,0,0,0|2,0,0]=4 1320 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000210953_100011204126 [2,0,0,0,0,0|2,0,0]=4 1321 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000743828_100000210432 [2,0,0,0,0,0|2,0,0]=4 1322 B9R0.56 CC(C)CNCC(C)(C)C 34a_100000210953_100011219605 [2,0,0,0,0,0|2,0,0]=4 1323 B9R0.56 CC(C)CNCC(C)(C)F 2230a_100020643315_100000210760 [2,0,0,0,0,0|2,0,0]=4 1324 B9R0.56 CC(C)CNCC(C)(C)F 270004a_100020643315_100000210432 [2,0,0,0,0,0|2,0,0]=4 1325 B9R0.56 CC(C)CNCC(C)(C)F 34a_100000210953_100011997219 [2,0,0,0,0,0|2,0,0]=4 1326 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [2,0,0,0,0,0|1,0,0]=3 1327 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [2,0,0,0,0,0|1,0,0]=3 1328 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [2,0,0,0,0,0|1,0,0]=3 1329 B9R0.56 CC(C)COCC(C)(C)C 34a_100000210257_100011219605 [2,0,0,0,0,0|2,0,0]=4 1330 B9R0.56 CC(C)COCC(C)(C)F 34a_100000210257_100011997219 [2,0,0,0,0,0|2,0,0]=4 1331 B9R0.56 CC(C)COCC(C)(C)F 34a_100000716592_100000210624 [2,0,0,0,0,0|2,0,0]=4 1332 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [2,0,0,0,0,0|1,0,0]=3 1333 B9R0.56 CC(C)CSCC(C)(C)C 62a_100000210624_100011219605 [2,0,0,0,0,0|2,0,0]=4 1334 B9R0.56 CC(C)CSCC(C)(C)C 62a_100011219605_100000210760 [2,0,0,0,0,0|2,0,0]=4 1335 B9R0.56 CC(C)CSCC(C)(C)F 62a_100000210624_100011997219 [2,0,0,0,0,0|2,0,0]=4 1336 B9R0.56 CC(C)CSCC(C)(C)F 62a_100011997219_100000210760 [2,0,0,0,0,0|2,0,0]=4 1337 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [2,0,0,0,0,0|1,0,0]=3 1338 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [2,0,0,0,0,0|1,0,0]=3 1339 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [2,0,0,0,0,0|2,0,0]=4 1340 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [2,0,0,0,0,0|2,0,0]=4 1341 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [2,0,0,0,0,0|2,0,0]=4 1342 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [2,0,0,0,0,0|2,0,0]=4 1343 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [2,0,0,0,0,0|1,0,0]=3 1344 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [2,0,0,0,0,0|1,0,0]=3 1345 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [2,0,0,0,0,0|2,0,0]=4 1346 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [2,0,0,0,0,0|2,0,0]=4 1347 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [2,0,0,0,0,0|1,0,0]=3 1348 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [2,0,0,0,0,0|2,0,0]=4 1349 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [2,0,0,0,0,0|2,0,0]=4 1350 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [2,0,0,0,0,0|1,0,0]=3 1351 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [2,0,0,0,0,0|1,0,0]=3 1352 B9R0.56 CC(F)COCC(C)(C)O 34a_100015925927_100000764493 [2,0,0,0,0,0|2,0,0]=4 1353 B9R0.56 CC(O)CNCC(C)(C)O 2230a_100000751335_100011218427 [2,0,0,0,0,0|1,0,1]=4 1354 B9R0.56 CC(O)CNCC(C)(C)O 34a_100000210904_100000764493 [2,0,0,0,0,0|1,0,1]=4 1355 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [2,0,0,0,0,0|1,0,1]=4 1356 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [2,0,0,0,0,0|1,0,1]=4 1357 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [2,0,0,0,0,0|1,0,0]=3 1358 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [2,0,0,0,0,0|1,0,0]=3 1359 B9R0.56 C[C@@H](Cl)COCC(C)(C)O 34a_100016084084_100000764493 [2,0,0,0,0,0|2,0,0]=4 1360 B9R0.56 C[C@@H](N)COCC(C)(C)O 34a_100000737577_100000764493 [2,0,0,0,0,0|2,0,0]=4 1361 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2230a_100000751335_100009817552 [2,0,0,0,0,0|1,0,1]=4 1362 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [2,0,0,0,0,0|1,0,1]=4 1363 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [2,0,0,0,0,0|1,0,1]=4 1364 B11R0.1 C=CC[C@@H](C)OC(C)CC(C)C 34a_100000731007_100000731052 [1,1,0,0,0,0|2,0,0]=4 1365 B11R0.1 C=CC[C@@H](C)OC(C)CC(C)C 7a_100000731007_100000731052 [1,1,0,0,0,0|2,0,0]=4 1366 B11R0.6 C=C(C)CN(C)CCCC(C)C 2230a_100000225649_100011214892 [1,1,0,0,0,0|2,0,0]=4 1367 B11R0.6 C=C(C)CN(C)CCCC(C)C 269982a_100000225649_100011214892 [1,1,0,0,0,0|2,0,0]=4 1368 B11R0.6 C=C(C)CN(C)CCCC(C)O 2230a_100000225649_200000718107 [1,1,0,0,0,0|2,0,0]=4 1369 B11R0.6 C=C(C)CN(C)CCCC(C)O 269982a_100000225649_200000718107 [1,1,0,0,0,0|2,0,0]=4 1370 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [1,1,0,0,0,0|0,0,2]=4 1371 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [1,1,0,0,0,0|0,0,2]=4 1372 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [1,1,0,0,0,0|1,0,0]=3 1373 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [1,1,0,0,0,0|1,0,0]=3 1374 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [1,1,0,0,0,0|1,0,0]=3 1375 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [1,1,0,0,0,0|1,0,0]=3 1376 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100000210312_100009818208 [1,1,0,0,0,0|2,0,0]=4 1377 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100009818208_100000210312 [1,1,0,0,0,0|2,0,0]=4 1378 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100009818208_100012276601 [1,1,0,0,0,0|2,0,0]=4 1379 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100012276601_100009818208 [1,1,0,0,0,0|2,0,0]=4 1380 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [1,1,0,0,0,0|1,0,1]=4 1381 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [1,1,0,0,0,0|1,0,1]=4 1382 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [1,1,0,0,0,0|1,0,1]=4 1383 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [1,1,0,0,0,0|1,0,0]=3 1384 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [1,1,0,0,0,0|1,0,0]=3 1385 B11R0.6 CC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000210760 [1,1,0,0,0,0|2,0,0]=4 1386 B11R0.6 CC(C)OCCN(C)CC(=O)N 2230a_100000739694_100000211751 [1,1,0,0,0,0|2,0,0]=4 1387 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [1,1,0,0,0,0|2,0,0]=4 1388 B11R0.6 CC(C)SCCN(C)CC(=O)N 2230a_100000739694_100000730970 [1,1,0,0,0,0|2,0,0]=4 1389 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [1,1,0,0,0,0|2,0,0]=4 1390 B11R0.6 CC(O)CCCC(=O)CC(=O)N 1458a_100134613110_200000718107 [1,1,0,0,0,0|1,0,1]=4 1391 B11R0.6 CC(O)CCCN(C)CC(=O)N 2230a_100000739694_200000718107 [1,1,0,0,0,0|1,0,0]=3 1392 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [1,1,0,0,0,0|1,0,0]=3 1393 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [1,1,0,0,0,0|2,0,0]=4 1394 B11R0.6 CN(C)CCCN(C)CC(=O)N 269982a_100000225831_100000187820 [1,1,0,0,0,0|2,0,0]=4 1395 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [1,1,0,0,0,0|2,0,0]=4 1396 B11R0.6 CN(C)CCCN(C)CC(=O)[O-] 269982a_100000225831_100020667443 [1,1,0,0,0,0|2,0,0]=4 1397 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [1,1,0,0,0,0|2,0,0]=4 1398 B11R0.45 C=CC[C@H](CO)NCCC(C)C 2230a_100020615467_100000210312 [1,1,0,0,0,0|2,0,0]=4 1399 B11R0.45 C=CC[C@H](CO)NCCC(C)C 269862a_100020615467_100000185833 [1,1,0,0,0,0|2,0,0]=4 1400 B11R0.45 C=CC[C@H](CO)NCCC(C)O 2230a_100020615467_100012276601 [1,1,0,0,0,0|2,0,0]=4 1401 B11R0.45 CCN(CC=O)CCCN(C)C 269982a_100000225837_200015260668 [1,1,0,0,0,0|2,0,0]=4 1402 B11R0.59 C=CCC(C)C(=O)CCC(C)C 1458a_100011216819_100000210312 [1,1,0,0,0,0|1,0,1]=4 1403 B11R0.59 C=CCC(C)C(=O)CCC(C)O 1458a_100011216819_100012276601 [1,1,0,0,0,0|1,0,1]=4 1404 B11R0.59 C=CCN(C)C(C)CCC(C)C 2230a_100000225617_100011261404 [1,1,0,0,0,0|2,0,0]=4 1405 B11R0.59 C=CCN(C)C(C)CCC(C)C 269982a_100000225617_100011261404 [1,1,0,0,0,0|2,0,0]=4 1406 B11R0.59 C=CCN(C)C(C)CCC(C)C 270004a_100000225617_100000210476 [1,1,0,0,0,0|2,0,0]=4 1407 B11R0.104 C=CCC(C)(C)OCCC(C)C 7a_100011995686_100000210626 [1,1,0,0,0,0|2,0,0]=4 1408 B11R0.104 C=CCC(C)(C)OCCC(C)O 7a_100011995686_100012276601 [1,1,0,0,0,0|2,0,0]=4 1409 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(C)C 34a_100015455354_100000210312 [1,1,0,0,0,0|2,0,0]=4 1410 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(C)C 7a_100015455354_100000210626 [1,1,0,0,0,0|2,0,0]=4 1411 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(C)O 34a_100015455354_100012276601 [1,1,0,0,0,0|2,0,0]=4 1412 B11R0.145 C=C[C@@H](C)[C@@H](C)OCCC(C)O 7a_100015455354_100012276601 [1,1,0,0,0,0|2,0,0]=4 1413 B11R0.147 C#CCNC(C)CCCC(C)C 2230a_100000210607_100000038162 [1,1,0,0,0,0|1,0,1]=4 1414 B11R0.147 C#CCOC(C)CCCC(C)C 34a_200011218570_100000184674 [1,1,0,0,0,0|1,0,1]=4 1415 B11R0.147 C#CCOC(C)CCCC(C)C 7a_200011218570_100000038162 [1,1,0,0,0,0|1,0,1]=4 1416 B11R0.147 C=CCCC(C)NCCC(C)C 270004a_100000210545_100000762624 [1,1,0,0,0,0|2,0,0]=4 1417 B11R0.147 C=CCCC(C)NCCC(C)O 270004a_200000755665_100000762624 [1,1,0,0,0,0|2,0,0]=4 1418 B11R0.147 C=CCCC(C)OCCC(C)C 34a_100000765329_100000210312 [1,1,0,0,0,0|2,0,0]=4 1419 B11R0.147 C=CCCC(C)OCCC(C)C 7a_100000765329_100000210626 [1,1,0,0,0,0|2,0,0]=4 1420 B11R0.147 C=CCCC(C)OCCC(C)O 34a_100000765329_100012276601 [1,1,0,0,0,0|2,0,0]=4 1421 B11R0.147 C=CCCC(C)OCCC(C)O 7a_100000765329_100012276601 [1,1,0,0,0,0|2,0,0]=4 1422 B11R0.147 C=CCCN(C)CCCC(C)C 2230a_100020639649_100011214892 [1,1,0,0,0,0|2,0,0]=4 1423 B11R0.147 C=CCCN(C)CCCC(C)C 269982a_100020639649_100011214892 [1,1,0,0,0,0|2,0,0]=4 1424 B11R0.147 C=CCCN(C)CCCC(C)O 2230a_100020639649_200000718107 [1,1,0,0,0,0|2,0,0]=4 1425 B11R0.147 C=CCCN(C)CCCC(C)O 269982a_100020639649_200000718107 [1,1,0,0,0,0|2,0,0]=4 1426 B11R0.147 C=CCNC(C)CCCC(C)C 2230a_100000210607_100000210623 [1,1,0,0,0,0|1,0,0]=3 1427 B11R0.147 C=CCNC(C)CCCC(C)C 270004a_100020586998_100000753411 [1,1,0,0,0,0|1,0,0]=3 1428 B11R0.147 C=CCNC(C)CCOC(C)C 270004a_100020586998_200011219172 [1,1,0,0,0,0|2,0,0]=4 1429 B11R0.147 C=CCOC(C)CCCC(C)C 34a_200011218570_100015514636 [1,1,0,0,0,0|1,0,0]=3 1430 B11R0.147 C=CCOC(C)CCCC(C)C 7a_200011218570_100015514636 [1,1,0,0,0,0|1,0,0]=3 1431 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [1,1,0,0,0,0|0,0,2]=4 1432 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [1,1,0,0,0,0|0,0,2]=4 1433 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [1,1,0,0,0,0|1,0,1]=4 1434 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [1,1,0,0,0,0|0,0,2]=4 1435 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [1,1,0,0,0,0|0,0,2]=4 1436 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [1,1,0,0,0,0|0,1,1]=4 1437 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [1,1,0,0,0,0|0,1,1]=4 1438 B11R0.147 CC(C)CCCC(C)NCC#N 2230a_100000210607_100011215382 [1,1,0,0,0,0|1,0,1]=4 1439 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [1,1,0,0,0,0|0,0,0]=2 1440 B11R0.147 CC(C)CCCC(C)NCCF 2230a_100000210607_100011217306 [1,1,0,0,0,0|1,0,1]=4 1441 B11R0.147 CC(C)CCCC(C)NCCO 2230a_100000210607_100000211926 [1,1,0,0,0,0|0,0,2]=4 1442 B11R0.147 CC(C)CCCC(C)NCCO 270004a_100000210304_100000753411 [1,1,0,0,0,0|0,0,2]=4 1443 B11R0.147 CC(C)CCCC(C)OCC#N 7a_200011218570_100011215382 [1,1,0,0,0,0|1,0,1]=4 1444 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [1,1,0,0,0,0|0,0,0]=2 1445 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [1,1,0,0,0,0|0,0,0]=2 1446 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [1,1,0,0,0,0|1,0,1]=4 1447 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [1,1,0,0,0,0|1,0,1]=4 1448 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [1,1,0,0,0,0|0,0,2]=4 1449 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [1,1,0,0,0,0|0,0,2]=4 1450 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [1,1,0,0,0,0|1,0,1]=4 1451 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [1,1,0,0,0,0|1,0,1]=4 1452 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [1,1,0,0,0,0|1,0,1]=4 1453 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [1,1,0,0,0,0|1,0,1]=4 1454 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [1,1,0,0,0,0|1,0,1]=4 1455 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [1,1,0,0,0,0|1,0,1]=4 1456 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [1,1,0,0,0,0|1,0,1]=4 1457 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [1,1,0,0,0,0|1,0,1]=4 1458 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [1,1,0,0,0,0|0,0,2]=4 1459 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [1,1,0,0,0,0|0,0,2]=4 1460 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [1,1,0,0,0,0|0,0,2]=4 1461 B11R0.147 COCNC(C)CCCC(C)C 2230a_100000210607_100000766300 [1,1,0,0,0,0|2,0,0]=4 1462 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [1,1,0,0,0,0|0,1,1]=4 1463 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [1,1,0,0,0,0|0,1,1]=4 1464 B11R0.147 CSCNC(C)CCCC(C)C 2230a_100000210607_100011218213 [1,1,0,0,0,0|2,0,0]=4 1465 B11R0.147 CSCOC(C)CCCC(C)C 34a_200011218570_100011218213 [1,1,0,0,0,0|2,0,0]=4 1466 B11R0.174 C=CCC(C)COCC(C)CC 34a_100009832082_100000748023 [1,1,0,0,0,0|2,0,0]=4 1467 B11R0.174 C=CCC(C)COCC(C)CC 7a_100009832082_100000748023 [1,1,0,0,0,0|2,0,0]=4 1468 B11R0.174 C=CCC(C)COCC(O)CC 34a_100009832082_100011218378 [1,1,0,0,0,0|2,0,0]=4 1469 B11R0.174 C=CCC(C)COCC(O)CC 7a_100009832082_100011218378 [1,1,0,0,0,0|2,0,0]=4 1470 B11R0.174 C=CCC(C)COCC(O)CO 34a_100009832082_100011219619 [1,1,0,0,0,0|2,0,0]=4 1471 B11R0.174 C=CCC(C)COCC(O)CO 7a_100009832082_100011219619 [1,1,0,0,0,0|2,0,0]=4 1472 B11R0.174 C=CCC(C)COC[C@@H](C)CC 34a_100009832082_100009816398 [1,1,0,0,0,0|2,0,0]=4 1473 B11R0.174 C=CCC(C)COC[C@@H](C)CC 7a_100009832082_100009816398 [1,1,0,0,0,0|2,0,0]=4 1474 B11R0.174 C=CCC(C)COC[C@@H](C)CO 34a_100009832082_100000059175 [1,1,0,0,0,0|2,0,0]=4 1475 B11R0.174 C=CCC(C)COC[C@@H](C)CO 7a_100009832082_100000059175 [1,1,0,0,0,0|2,0,0]=4 1476 B11R0.174 C=CCC(C)COC[C@@H](O)CF 34a_100009832082_100015614560 [1,1,0,0,0,0|2,0,0]=4 1477 B11R0.174 C=CCC(C)COC[C@@H](O)CF 7a_100009832082_100015614560 [1,1,0,0,0,0|2,0,0]=4 1478 B11R0.174 C=CCC(C)COC[C@@H](O)CO 34a_100009832082_100009815848 [1,1,0,0,0,0|2,0,0]=4 1479 B11R0.174 C=CCC(C)COC[C@@H](O)CO 7a_100009832082_100009815848 [1,1,0,0,0,0|2,0,0]=4 1480 B11R0.31 C=C(Br)CCOCCC(C)(C)O 34a_100009813270_100000702414 [1,1,0,0,0,0|2,0,0]=4 1481 B11R0.31 C=C(C)CCOCCC(C)(C)O 34a_100000764851_100000702414 [1,1,0,0,0,0|2,0,0]=4 1482 B11R0.31 C=C(C)CCSCCC(C)(C)O 62a_100000702414_100000730704 [1,1,0,0,0,0|2,0,0]=4 1483 B11R0.31 C=C(C)CCSCCC(C)(C)O 62a_100000730704_100000702414 [1,1,0,0,0,0|2,0,0]=4 1484 B11R0.31 C=C(C)COCCCC(C)(C)O 34a_100000210245_100009888830 [1,1,0,0,0,0|2,0,0]=4 1485 B11R0.31 C=C(C)CSCCCC(C)(C)O 62a_100000748629_100009888830 [1,1,0,0,0,0|2,0,0]=4 1486 B11R0.31 C=C(C)CSCCCC(C)(C)O 62a_100009888830_100000211660 [1,1,0,0,0,0|2,0,0]=4 1487 B11R0.31 C=C(F)COCCCC(C)(C)O 34a_200010262243_100009888830 [1,1,0,0,0,0|2,0,0]=4 1488 B11R0.31 C=C(F)CSCCCC(C)(C)O 62a_100000042424_100009888830 [1,1,0,0,0,0|2,0,0]=4 1489 B11R0.31 C=C(F)CSCCCC(C)(C)O 62a_100009888830_100000042424 [1,1,0,0,0,0|2,0,0]=4 1490 B11R0.31 CC(=O)CCCCCC(C)(C)C 1458a_100012017116_200000210301 [1,1,0,0,0,0|1,0,0]=3 1491 B11R0.31 CC(=O)CCCCC[N+](C)(C)C 1458a_100000070787_100009813293 [1,1,0,0,0,0|2,0,0]=4 1492 B11R0.31 CC(=O)CCCCOC(C)(C)C 34a_100015890283_100009817362 [1,1,0,0,0,0|2,0,0]=4 1493 B11R0.31 CC(=O)CCCCOC(C)(C)C 7a_100015890283_100000735457 [1,1,0,0,0,0|2,0,0]=4 1494 B11R0.31 CC(=O)CCCCSC(C)(C)C 62a_100000211941_100000735457 [1,1,0,0,0,0|2,0,0]=4 1495 B11R0.31 CC(=O)CCCCSC(C)(C)C 62a_100000735457_100000211941 [1,1,0,0,0,0|2,0,0]=4 1496 B11R0.31 CC(=O)CCCOCC(C)(C)C 34a_100000759063_100011219605 [1,1,0,0,0,0|2,0,0]=4 1497 B11R0.31 CC(=O)CCCOCC(C)(C)F 34a_100000716592_100000685027 [1,1,0,0,0,0|2,0,0]=4 1498 B11R0.31 CC(=O)CCCOCC(C)(C)F 34a_100000759063_100011997219 [1,1,0,0,0,0|2,0,0]=4 1499 B11R0.31 CC(=O)CCCOCC(C)(C)O 34a_100000759063_100000764493 [1,1,0,0,0,0|1,0,0]=3 1500 B11R0.31 CC(=O)CCCOCC(C)(C)O 7a_100000759063_100000764493 [1,1,0,0,0,0|1,0,0]=3 1501 B11R0.31 CC(=O)CCCSCC(C)(C)C 62a_100011215641_100011219605 [1,1,0,0,0,0|2,0,0]=4 1502 B11R0.31 CC(=O)CCCSCC(C)(C)C 62a_100011219605_100011215641 [1,1,0,0,0,0|2,0,0]=4 1503 B11R0.31 CC(=O)CCCSCC(C)(C)F 62a_100011215641_100011997219 [1,1,0,0,0,0|2,0,0]=4 1504 B11R0.31 CC(=O)CCCSCC(C)(C)F 62a_100011997219_100011215641 [1,1,0,0,0,0|2,0,0]=4 1505 B11R0.31 CC(=O)CCCSCC(C)(C)O 62a_100000764493_100011215641 [1,1,0,0,0,0|1,0,0]=3 1506 B11R0.31 CC(=O)CCCSCC(C)(C)O 62a_100011215641_100000764493 [1,1,0,0,0,0|1,0,0]=3 1507 B11R0.31 CC(=O)CCOCCC(C)(C)C 34a_100000759926_100000755188 [1,1,0,0,0,0|2,0,0]=4 1508 B11R0.31 CC(=O)CCOCCC(C)(C)C 7a_100000759926_100000755188 [1,1,0,0,0,0|2,0,0]=4 1509 B11R0.31 CC(=O)CCOCCC(C)(C)C 7a_100000765024_100000053229 [1,1,0,0,0,0|2,0,0]=4 1510 B11R0.31 CC(=O)CCOCCC(C)(C)O 34a_100000759926_100000702414 [1,1,0,0,0,0|1,0,0]=3 1511 B11R0.31 CC(=O)CCOCCC(C)(C)O 7a_100000759926_100000702414 [1,1,0,0,0,0|1,0,0]=3 1512 B11R0.31 CC(=O)CCSCCC(C)(C)C 62a_100000053229_100000755188 [1,1,0,0,0,0|2,0,0]=4 1513 B11R0.31 CC(=O)CCSCCC(C)(C)C 62a_100000755188_100000053229 [1,1,0,0,0,0|2,0,0]=4 1514 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000053229_100000702414 [1,1,0,0,0,0|1,0,0]=3 1515 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000702414_100000053229 [1,1,0,0,0,0|1,0,0]=3 1516 B11R0.31 CC(=O)COCCCC(C)(C)O 34a_100000211253_100009888830 [1,1,0,0,0,0|1,0,0]=3 1517 B11R0.31 CC(=O)NCCNCC(C)(C)O 2230a_100000751335_100000189650 [1,1,0,0,0,0|2,0,0]=4 1518 B11R0.31 CC(=O)NCCOCC(C)(C)O 34a_100000158858_100000764493 [1,1,0,0,0,0|2,0,0]=4 1519 B11R0.31 CC(=O)NCCSCC(C)(C)O 62a_100000189650_100000764493 [1,1,0,0,0,0|2,0,0]=4 1520 B11R0.31 CC(=O)NCCSCC(C)(C)O 62a_100000764493_100000189650 [1,1,0,0,0,0|2,0,0]=4 1521 B11R0.31 CC(=O)OCCSCC(C)(C)O 62a_100000764493_100009814007 [1,1,0,0,0,0|2,0,0]=4 1522 B11R0.31 CC(=O)OCCSCC(C)(C)O 62a_100009814007_100000764493 [1,1,0,0,0,0|2,0,0]=4 1523 B11R0.31 CC(=O)OCSCCC(C)(C)O 62a_100000076356_100000702414 [1,1,0,0,0,0|2,0,0]=4 1524 B11R0.31 CC(=O)OCSCCC(C)(C)O 62a_100000702414_100000076356 [1,1,0,0,0,0|2,0,0]=4 1525 B11R0.31 CC(C)(C)CCCCCC(=O)[13CH3] 1458a_100012017116_200025704644 [1,1,0,0,0,0|1,0,0]=3 1526 B11R0.31 CC(C)(C)CCNCCC(=O)N 2230a_100000738805_100000744528 [1,1,0,0,0,0|2,0,0]=4 1527 B11R0.31 CC(C)(C)CCOCCC(=O)N 34a_100000757172_100000755188 [1,1,0,0,0,0|2,0,0]=4 1528 B11R0.31 CC(C)(C)CCOCCC(=O)N 7a_100000757172_100000755188 [1,1,0,0,0,0|2,0,0]=4 1529 B11R0.31 CC(C)(C)CCOCCC(=O)N 7a_100000765024_100000744528 [1,1,0,0,0,0|2,0,0]=4 1530 B11R0.31 CC(C)(C)CCSCCC(=O)N 62a_100000744528_100000755188 [1,1,0,0,0,0|2,0,0]=4 1531 B11R0.31 CC(C)(C)CCSCCC(=O)N 62a_100000755188_100000744528 [1,1,0,0,0,0|2,0,0]=4 1532 B11R0.31 CC(C)(C)CNCCCC(=O)N 34a_100000739312_100011219605 [1,1,0,0,0,0|2,0,0]=4 1533 B11R0.31 CC(C)(C)CSCCCC(=O)N 62a_100011219605_100102525003 [1,1,0,0,0,0|2,0,0]=4 1534 B11R0.31 CC(C)(C)CSCCCC(=O)N 62a_100102525003_100011219605 [1,1,0,0,0,0|2,0,0]=4 1535 B11R0.31 CC(C)(C)NCCCCC(=O)N 34a_100000696515_100000210625 [1,1,0,0,0,0|2,0,0]=4 1536 B11R0.31 CC(C)(C)OCCCCC(=O)N 34a_100012022536_100000210625 [1,1,0,0,0,0|2,0,0]=4 1537 B11R0.31 CC(C)(F)CCNCCC(=O)N 2230a_100016253952_100000744528 [1,1,0,0,0,0|2,0,0]=4 1538 B11R0.31 CC(C)(F)CNCCCC(=O)N 34a_100000739312_100011997219 [1,1,0,0,0,0|2,0,0]=4 1539 B11R0.31 CC(C)(F)COCCCC(=O)N 34a_100000716592_100102525003 [1,1,0,0,0,0|2,0,0]=4 1540 B11R0.31 CC(C)(F)CSCCCC(=O)N 62a_100011997219_100102525003 [1,1,0,0,0,0|2,0,0]=4 1541 B11R0.31 CC(C)(F)CSCCCC(=O)N 62a_100102525003_100011997219 [1,1,0,0,0,0|2,0,0]=4 1542 B11R0.31 CC(C)(O)CCCNCC(=O)N 2230a_100000711301_100009888830 [1,1,0,0,0,0|1,0,0]=3 1543 B11R0.31 CC(C)(O)CCCNCC(=O)O 269956a_100016091260_100009888830 [1,1,0,0,0,0|1,0,0]=3 1544 B11R0.31 CC(C)(O)CCCSCC(=O)N 62a_100000747473_100009888830 [1,1,0,0,0,0|1,0,0]=3 1545 B11R0.31 CC(C)(O)CCCSCC(=O)N 62a_100009888830_100000747473 [1,1,0,0,0,0|1,0,0]=3 1546 B11R0.31 CC(C)(O)CCCSCC(=O)[O-] 62a_100009888830_100020667443 [1,1,0,0,0,0|1,0,0]=3 1547 B11R0.31 CC(C)(O)CCCSCC(=O)[O-] 62a_100020667443_100009888830 [1,1,0,0,0,0|1,0,0]=3 1548 B11R0.31 CC(C)(O)CCCSC[N+](=O)[O-] 62a_100009888830_100000761209 [1,1,0,0,0,0|2,0,0]=4 1549 B11R0.31 CC(C)(O)CCNOCC(=O)O 269956a_100000106656_100000702414 [1,1,0,0,0,0|2,0,0]=4 1550 B11R0.31 CC(C)(O)CCOCCC(=O)N 34a_100000757172_100000702414 [1,1,0,0,0,0|1,0,0]=3 1551 B11R0.31 CC(C)(O)CCOCCC(=O)N 7a_100000757172_100000702414 [1,1,0,0,0,0|1,0,0]=3 1552 B11R0.31 CC(C)(O)CCSCCC(=O)N 62a_100000702414_100000744528 [1,1,0,0,0,0|1,0,0]=3 1553 B11R0.31 CC(C)(O)CCSCCC(=O)N 62a_100000744528_100000702414 [1,1,0,0,0,0|1,0,0]=3 1554 B11R0.31 CC(C)(O)CNCCCC(=O)N 34a_100000739312_100000764493 [1,1,0,0,0,0|1,0,0]=3 1555 B11R0.31 CC(C)(O)CNCCNC(=O)N 2230a_100000751335_200000034859 [1,1,0,0,0,0|2,0,0]=4 1556 B11R0.31 CC(C)(O)CNCCNC(=O)N 34a_100020590234_100000764493 [1,1,0,0,0,0|2,0,0]=4 1557 B11R0.31 CC(C)(O)COCCC[N+](=O)[O-] 34a_200000037920_100000764493 [1,1,0,0,0,0|2,0,0]=4 1558 B11R0.31 CC(C)(O)COCCNC(=O)N 34a_100000181757_100000764493 [1,1,0,0,0,0|2,0,0]=4 1559 B11R0.31 CC(C)(O)COCCOC(=O)N 7a_100000766696_100000764493 [1,1,0,0,0,0|2,0,0]=4 1560 B11R0.31 CC(C)(O)CSCCCC(=O)N 62a_100000764493_100102525003 [1,1,0,0,0,0|1,0,0]=3 1561 B11R0.31 CC(C)(O)CSCCCC(=O)N 62a_100102525003_100000764493 [1,1,0,0,0,0|1,0,0]=3 1562 B11R0.31 CC(C)(O)CSCCNC(=O)N 62a_100000764493_200000034859 [1,1,0,0,0,0|2,0,0]=4 1563 B11R0.31 CC(C)(O)CSCCNC(=O)N 62a_200000034859_100000764493 [1,1,0,0,0,0|2,0,0]=4 1564 B11R0.31 CC(C)(O)CSCCOC(=O)N 62a_100000764493_200011214921 [1,1,0,0,0,0|2,0,0]=4 1565 B11R0.31 CC(C)(O)CSCCOC(=O)N 62a_200011214921_100000764493 [1,1,0,0,0,0|2,0,0]=4 1566 B11R0.31 CN(C)CCCCCC(C)(C)O 2230a_100102631434_100010402123 [1,1,0,0,0,0|2,0,0]=4 1567 B11R0.31 CN(C)CCCCCC(C)(C)O 269982a_100102631434_100010402123 [1,1,0,0,0,0|2,0,0]=4 1568 B11R0.49 C#CC(C)(C)OCCCCC=O 7a_100000189450_100000139335 [1,1,0,0,0,0|2,0,0]=4 1569 B11R0.49 C#CC(C)(C)SCCCCC=O 62a_100000038118_100000139335 [1,1,0,0,0,0|2,0,0]=4 1570 B11R0.49 C#CC(C)(C)SCCCCC=O 62a_100000139335_100000038118 [1,1,0,0,0,0|2,0,0]=4 1571 B11R0.49 C=CC(C)(C)OCCCCC=O 7a_100011215311_100000139335 [1,1,0,0,0,0|2,0,0]=4 1572 B11R0.49 C=CCCCCNC(C)(C)CO 2230a_100000210608_100011215482 [1,1,0,0,0,0|2,0,0]=4 1573 B11R0.49 C=CCCCNCC(C)(C)CO 2230a_100020635058_100011713584 [1,1,0,0,0,0|2,0,0]=4 1574 B11R0.49 C=CCCCNCC(C)(C)CO 34a_100000700776_100009813988 [1,1,0,0,0,0|2,0,0]=4 1575 B11R0.49 C=CCCCNCC(C)(C)OC 2230a_100000763424_100011713584 [1,1,0,0,0,0|2,0,0]=4 1576 B11R0.49 C=CCCCNCC(C)(C)OC 34a_100000700776_100000701081 [1,1,0,0,0,0|2,0,0]=4 1577 B11R0.49 C=CCCCOCC(C)(C)CO 34a_100000758997_100009813988 [1,1,0,0,0,0|2,0,0]=4 1578 B11R0.49 C=CCCCOCC(C)(C)CO 7a_100000758997_100009813988 [1,1,0,0,0,0|2,0,0]=4 1579 B11R0.49 C=CCCCOCC(C)(C)OC 34a_100000758997_100000701081 [1,1,0,0,0,0|2,0,0]=4 1580 B11R0.49 C=CCCCSCC(C)(C)CO 62a_100009813988_100000757094 [1,1,0,0,0,0|2,0,0]=4 1581 B11R0.49 C=CCCCSCC(C)(C)CO 62a_100011713584_100009813988 [1,1,0,0,0,0|2,0,0]=4 1582 B11R0.49 C=CCCCSCC(C)(C)OC 62a_100000701081_100000757094 [1,1,0,0,0,0|2,0,0]=4 1583 B11R0.49 C=CCCCSCC(C)(C)OC 62a_100011713584_100000701081 [1,1,0,0,0,0|2,0,0]=4 1584 B11R0.49 C=CCCOCCC(C)(C)OC 7a_100000699976_100000754431 [1,1,0,0,0,0|2,0,0]=4 1585 B11R0.49 C=CCNCCCC(C)(C)CO 2230a_100000039164_100000210623 [1,1,0,0,0,0|2,0,0]=4 1586 B11R0.49 CC(C)(C#N)CCCSCC=O 62a_100000759902_200015260668 [1,1,0,0,0,0|2,0,0]=4 1587 B11R0.49 CC(C)(C#N)CCCSCC=O 62a_200015260668_100000759902 [1,1,0,0,0,0|2,0,0]=4 1588 B11R0.49 CC(C)(C#N)SCCCCC=O 62a_100000139335_100011162410 [1,1,0,0,0,0|2,0,0]=4 1589 B11R0.49 CC(C)(C#N)SCCCCC=O 62a_100011162410_100000139335 [1,1,0,0,0,0|2,0,0]=4 1590 B11R0.49 CC(C)(CCl)COCCCC=O 7a_100011217199_200011292268 [1,1,0,0,0,0|2,0,0]=4 1591 B11R0.49 CC(C)(CCl)OCCCCC=O 7a_100000764493_100000139335 [1,1,0,0,0,0|2,0,0]=4 1592 B11R0.49 CC(C)(CO)CCCNCC=O 2230a_100000039164_200015260668 [1,1,0,0,0,0|1,0,0]=3 1593 B11R0.49 CC(C)(CO)CNCCCC=O 2230a_100020635058_200011292268 [1,1,0,0,0,0|1,0,0]=3 1594 B11R0.49 CC(C)(CO)CSCCCC=O 62a_100009813988_200011292268 [1,1,0,0,0,0|1,0,0]=3 1595 B11R0.49 CC(C)(CO)CSCCCC=O 62a_200011292268_100009813988 [1,1,0,0,0,0|1,0,0]=3 1596 B11R0.49 CC(C)(CO)NCCCCC=O 2230a_100000210608_100000139335 [1,1,0,0,0,0|1,0,0]=3 1597 B11R0.49 CCC(C)(C)COCCCC=O 7a_100000765029_200011292268 [1,1,0,0,0,0|2,0,0]=4 1598 B11R0.49 CCC(C)(C)NCCCCC=O 2230a_100000211385_100000139335 [1,1,0,0,0,0|2,0,0]=4 1599 B11R0.49 CCC(C)(C)OCCCCC=O 7a_100000210230_100000139335 [1,1,0,0,0,0|2,0,0]=4 1600 B11R0.49 CCC(C)(C)SCCCCC=O 62a_100000032637_100000139335 [1,1,0,0,0,0|2,0,0]=4 1601 B11R0.49 CCC(C)(C)SCCCCC=O 62a_100000139335_100000032637 [1,1,0,0,0,0|2,0,0]=4 1602 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [1,1,0,0,0,0|1,0,1]=4 1603 B11R0.49 COC(C)(C)CNCCCC=O 2230a_100000763424_200011292268 [1,1,0,0,0,0|1,0,0]=3 1604 B11R0.49 COC(C)(C)CSCCCC=O 62a_100000701081_200011292268 [1,1,0,0,0,0|1,0,0]=3 1605 B11R0.49 COC(C)(C)CSCCCC=O 62a_200011292268_100000701081 [1,1,0,0,0,0|1,0,0]=3 1606 B11R0.82 C=CCCC(C)NCC(C)(C)O 270004a_100000751335_100000762624 [1,1,0,0,0,0|2,0,0]=4 1607 B11R0.82 C=CCCC(C)OCC(C)(C)O 34a_100000765329_100000764493 [1,1,0,0,0,0|2,0,0]=4 1608 B11R0.82 C=CCCC(C)OCC(C)(C)O 7a_100000765329_100000764493 [1,1,0,0,0,0|2,0,0]=4 1609 B11R0.82 C=CCCN(C)CCC(C)(C)O 2230a_100020639649_100000702414 [1,1,0,0,0,0|2,0,0]=4 1610 B11R0.114 C=CC(C)COCCC(C)(C)O 34a_100011215527_100000702414 [1,1,0,0,0,0|2,0,0]=4 1611 B11R0.114 C=CC(C)COCCC(C)(C)O 7a_100011215527_100000702414 [1,1,0,0,0,0|2,0,0]=4 1612 B11R0.114 C=CC(C)OCCCC(C)(C)O 34a_100000695699_100009888830 [1,1,0,0,0,0|2,0,0]=4 1613 B11R0.114 C=CC(C)SCCCC(C)(C)O 62a_100011215867_100009888830 [1,1,0,0,0,0|2,0,0]=4 1614 B11R0.114 C=CC(O)CSCCC(C)(C)O 62a_100000702414_100000730141 [1,1,0,0,0,0|2,0,0]=4 1615 B11R0.114 C=CC(O)CSCCC(C)(C)O 62a_100000730141_100000702414 [1,1,0,0,0,0|2,0,0]=4 1616 B11R0.114 C=C[C@H](N)COCCC(C)(C)O 34a_100016989147_100000702414 [1,1,0,0,0,0|2,0,0]=4 1617 B11R0.151 C=CCCCCC(=O)C(C)(C)O 1458a_100000242741_100011215482 [1,1,0,0,0,0|1,0,1]=4 1618 B11R0.151 C=CCCCNC(C)C(C)(C)O 269862a_100000700776_100000747739 [1,1,0,0,0,0|2,0,0]=4 1619 B11R0.151 C=CCCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100011713584 [1,1,0,0,0,0|2,0,0]=4 1620 B11R0.151 CN(CCCCC=O)C(C)(C)C 269982a_100011215553_100000139335 [1,1,0,0,0,0|2,0,0]=4 1621 B11R0.151 C[C@@H](NCCCC=O)C(C)(C)C 2230a_100025703359_200011292268 [1,1,0,0,0,0|2,0,0]=4 1622 B11R0.151 C[C@H](NCCCC=O)C(C)(C)O 2230a_100025708725_200011292268 [1,1,0,0,0,0|1,0,0]=3 1623 B11R0.159 C#CCCCCNCC(C)(C)O 2230a_100000751335_100010269958 [1,1,0,0,0,0|1,0,1]=4 1624 B11R0.159 C#CCCCCNCC(C)(C)O 34a_100000706060_100000764493 [1,1,0,0,0,0|1,0,1]=4 1625 B11R0.159 C#CCCCCOCC(C)(C)O 34a_100000766709_100000764493 [1,1,0,0,0,0|1,0,1]=4 1626 B11R0.159 C#CCCCCOCC(C)(C)O 7a_100000766709_100000764493 [1,1,0,0,0,0|1,0,1]=4 1627 B11R0.159 C#CCCCCSCC(C)(C)O 62a_100000764493_100010269958 [1,1,0,0,0,0|1,0,1]=4 1628 B11R0.159 C#CCCCCSCC(C)(C)O 62a_100010269958_100000764493 [1,1,0,0,0,0|1,0,1]=4 1629 B11R0.159 C#CCCCNCCC(C)(C)O 34a_100000718082_100000702414 [1,1,0,0,0,0|1,0,1]=4 1630 B11R0.159 C#CCCCOCCC(C)(C)O 34a_100000215630_100000702414 [1,1,0,0,0,0|1,0,1]=4 1631 B11R0.159 C#CCCCOCCC(C)(C)O 7a_100000215630_100000702414 [1,1,0,0,0,0|1,0,1]=4 1632 B11R0.159 C#CCCCSCCC(C)(C)O 62a_100000702414_100011215417 [1,1,0,0,0,0|1,0,1]=4 1633 B11R0.159 C#CCCCSCCC(C)(C)O 62a_100011215417_100000702414 [1,1,0,0,0,0|1,0,1]=4 1634 B11R0.159 C#CCCNCCCC(C)(C)O 34a_100000755551_100009888830 [1,1,0,0,0,0|1,0,1]=4 1635 B11R0.159 C#CCCOCCCC(C)(C)O 34a_100011215631_100009888830 [1,1,0,0,0,0|1,0,1]=4 1636 B11R0.159 C#CCCSCCCC(C)(C)O 62a_100000688953_100009888830 [1,1,0,0,0,0|1,0,1]=4 1637 B11R0.159 C#CCCSCCCC(C)(C)O 62a_100009888830_100000688953 [1,1,0,0,0,0|1,0,1]=4 1638 B11R0.159 C/C=C/CCOCCC(C)(C)O 34a_100016278192_100000702414 [1,1,0,0,0,0|1,0,1]=4 1639 B11R0.159 C/C=C/COCCCC(C)(C)O 34a_100016270725_100009888830 [1,1,0,0,0,0|1,0,1]=4 1640 B11R0.159 C/C=C/CSCCCC(C)(C)O 62a_100009888830_100102629194 [1,1,0,0,0,0|1,0,1]=4 1641 B11R0.159 C/C=C/CSCCCC(C)(C)O 62a_100102629194_100009888830 [1,1,0,0,0,0|1,0,1]=4 1642 B11R0.159 C=CCCCCCNC(C)(C)C 2230a_100000715429_100000700193 [1,1,0,0,0,0|2,0,0]=4 1643 B11R0.159 C=CCCCCCOC(C)(C)C 34a_100011216702_100000210625 [1,1,0,0,0,0|2,0,0]=4 1644 B11R0.159 C=CCCCCCOC(C)(C)C 34a_100015890283_100000700193 [1,1,0,0,0,0|2,0,0]=4 1645 B11R0.159 C=CCCCCCOC(C)(C)C 7a_100015890283_100000700193 [1,1,0,0,0,0|2,0,0]=4 1646 B11R0.159 C=CCCCCCSC(C)(C)C 62a_100000211941_100000700193 [1,1,0,0,0,0|2,0,0]=4 1647 B11R0.159 C=CCCCCCSC(C)(C)C 62a_100000700193_100000211941 [1,1,0,0,0,0|2,0,0]=4 1648 B11R0.159 C=CCCCCNCC(C)(C)C 2230a_100000743828_100011215482 [1,1,0,0,0,0|2,0,0]=4 1649 B11R0.159 C=CCCCCNCC(C)(C)C 270004a_100000703577_100011204126 [1,1,0,0,0,0|2,0,0]=4 1650 B11R0.159 C=CCCCCNCC(C)(C)C 34a_100000703577_100011219605 [1,1,0,0,0,0|2,0,0]=4 1651 B11R0.159 C=CCCCCNCC(C)(C)F 2230a_100020643315_100011215482 [1,1,0,0,0,0|2,0,0]=4 1652 B11R0.159 C=CCCCCNCC(C)(C)F 34a_100000703577_100011997219 [1,1,0,0,0,0|2,0,0]=4 1653 B11R0.159 C=CCCCCNCC(C)(C)O 2230a_100000751335_100011215482 [1,1,0,0,0,0|1,0,0]=3 1654 B11R0.159 C=CCCCCNCC(C)(C)O 34a_100000703577_100000764493 [1,1,0,0,0,0|1,0,0]=3 1655 B11R0.159 C=CCCCCOCC(C)(C)C 34a_100000766645_100011219605 [1,1,0,0,0,0|2,0,0]=4 1656 B11R0.159 C=CCCCCOCC(C)(C)F 34a_100000716592_100011215482 [1,1,0,0,0,0|2,0,0]=4 1657 B11R0.159 C=CCCCCOCC(C)(C)F 34a_100000766645_100011997219 [1,1,0,0,0,0|2,0,0]=4 1658 B11R0.159 C=CCCCCOCC(C)(C)O 34a_100000766645_100000764493 [1,1,0,0,0,0|1,0,0]=3 1659 B11R0.159 C=CCCCCOCC(C)(C)O 7a_100000766645_100000764493 [1,1,0,0,0,0|1,0,0]=3 1660 B11R0.159 C=CCCCCSCC(C)(C)C 62a_100011215482_100011219605 [1,1,0,0,0,0|2,0,0]=4 1661 B11R0.159 C=CCCCCSCC(C)(C)C 62a_100011219605_100011215482 [1,1,0,0,0,0|2,0,0]=4 1662 B11R0.159 C=CCCCCSCC(C)(C)F 62a_100011215482_100011997219 [1,1,0,0,0,0|2,0,0]=4 1663 B11R0.159 C=CCCCCSCC(C)(C)F 62a_100011997219_100011215482 [1,1,0,0,0,0|2,0,0]=4 1664 B11R0.159 C=CCCCCSCC(C)(C)O 62a_100000764493_100011215482 [1,1,0,0,0,0|1,0,0]=3 1665 B11R0.159 C=CCCCCSCC(C)(C)O 62a_100011215482_100000764493 [1,1,0,0,0,0|1,0,0]=3 1666 B11R0.159 C=CCCCNCCC(C)(C)C 2230a_100000700776_100000755188 [1,1,0,0,0,0|2,0,0]=4 1667 B11R0.159 C=CCCCNCCC(C)(C)C 2230a_100000738805_100011713584 [1,1,0,0,0,0|2,0,0]=4 1668 B11R0.159 C=CCCCNCCC(C)(C)C 34a_100000700776_100000755188 [1,1,0,0,0,0|2,0,0]=4 1669 B11R0.159 C=CCCCNCCC(C)(C)F 2230a_100016253952_100011713584 [1,1,0,0,0,0|2,0,0]=4 1670 B11R0.159 C=CCCCNCCC(C)(C)O 2230a_100000700776_100000702414 [1,1,0,0,0,0|1,0,0]=3 1671 B11R0.159 C=CCCCNCCC(C)(C)O 34a_100000700776_100000702414 [1,1,0,0,0,0|1,0,0]=3 1672 B11R0.159 C=CCCCOCCC(C)(C)C 34a_100000758997_100000755188 [1,1,0,0,0,0|2,0,0]=4 1673 B11R0.159 C=CCCCOCCC(C)(C)C 7a_100000758997_100000755188 [1,1,0,0,0,0|2,0,0]=4 1674 B11R0.159 C=CCCCOCCC(C)(C)C 7a_100000765024_100000757094 [1,1,0,0,0,0|2,0,0]=4 1675 B11R0.159 C=CCCCOCCC(C)(C)O 34a_100000758997_100000702414 [1,1,0,0,0,0|1,0,0]=3 1676 B11R0.159 C=CCCCOCCC(C)(C)O 7a_100000758997_100000702414 [1,1,0,0,0,0|1,0,0]=3 1677 B11R0.159 C=CCCCSCCC(C)(C)C 62a_100000755188_100000757094 [1,1,0,0,0,0|2,0,0]=4 1678 B11R0.159 C=CCCCSCCC(C)(C)C 62a_100011713584_100000755188 [1,1,0,0,0,0|2,0,0]=4 1679 B11R0.159 C=CCCCSCCC(C)(C)O 62a_100000702414_100000757094 [1,1,0,0,0,0|1,0,0]=3 1680 B11R0.159 C=CCCCSCCC(C)(C)O 62a_100011713584_100000702414 [1,1,0,0,0,0|1,0,0]=3 1681 B11R0.159 C=CCCNCCCC(C)(C)O 2230a_100015191253_100009888830 [1,1,0,0,0,0|1,0,0]=3 1682 B11R0.159 C=CCCOCCCC(C)(C)O 34a_100011205117_100009888830 [1,1,0,0,0,0|1,0,0]=3 1683 B11R0.159 C=CCCSCCCC(C)(C)O 62a_100000754431_100009888830 [1,1,0,0,0,0|1,0,0]=3 1684 B11R0.159 C=CCCSCCCC(C)(C)O 62a_100009888830_100000754431 [1,1,0,0,0,0|1,0,0]=3 1685 B11R0.159 C=CCOCCOCC(C)(C)O 34a_100000037705_100000764493 [1,1,0,0,0,0|2,0,0]=4 1686 B11R0.159 C=CCOCCOCC(C)(C)O 7a_100000037705_100000764493 [1,1,0,0,0,0|2,0,0]=4 1687 B11R0.159 C=COCCCNCC(C)(C)O 34a_100000210767_100000764493 [1,1,0,0,0,0|2,0,0]=4 1688 B11R0.159 C=COCCOCCC(C)(C)O 34a_100000033082_100000702414 [1,1,0,0,0,0|2,0,0]=4 1689 B11R0.159 C=COCCSCCC(C)(C)O 62a_100000039644_100000702414 [1,1,0,0,0,0|2,0,0]=4 1690 B11R0.159 C=COCCSCCC(C)(C)O 62a_100000702414_100000039644 [1,1,0,0,0,0|2,0,0]=4 1691 B11R0.159 CC(C)(C)CCNCCCC=O 2230a_100000738805_200011292268 [1,1,0,0,0,0|1,0,0]=3 1692 B11R0.159 CC(C)(C)CCOCCCC=O 7a_100000765024_200011292268 [1,1,0,0,0,0|1,0,0]=3 1693 B11R0.159 CC(C)(C)CCSCCCC=O 62a_100000755188_200011292268 [1,1,0,0,0,0|1,0,0]=3 1694 B11R0.159 CC(C)(C)CCSCCCC=O 62a_200011292268_100000755188 [1,1,0,0,0,0|1,0,0]=3 1695 B11R0.159 CC(C)(C)CNCCCCC=O 2230a_100000743828_100000139335 [1,1,0,0,0,0|1,0,0]=3 1696 B11R0.159 CC(C)(C)CSCCCCC=O 62a_100000139335_100011219605 [1,1,0,0,0,0|1,0,0]=3 1697 B11R0.159 CC(C)(C)CSCCCCC=O 62a_100011219605_100000139335 [1,1,0,0,0,0|1,0,0]=3 1698 B11R0.159 CC(C)(C)NCCCCCC=O 2230a_100000715429_100000139337 [1,1,0,0,0,0|1,0,0]=3 1699 B11R0.159 CC(C)(C)OCCCCCC=O 7a_100015890283_100000139337 [1,1,0,0,0,0|1,0,0]=3 1700 B11R0.159 CC(C)(C)OCCCNCC=O 2230a_100011250582_200015260668 [1,1,0,0,0,0|2,0,0]=4 1701 B11R0.159 CC(C)(C)SCCCCCC=O 62a_100000139337_100000211941 [1,1,0,0,0,0|1,0,0]=3 1702 B11R0.159 CC(C)(C)SCCCCCC=O 62a_100000211941_100000139337 [1,1,0,0,0,0|1,0,0]=3 1703 B11R0.159 CC(C)(F)CCNCCCC=O 2230a_100016253952_200011292268 [1,1,0,0,0,0|1,0,0]=3 1704 B11R0.159 CC(C)(F)CNCCCCC=O 2230a_100020643315_100000139335 [1,1,0,0,0,0|1,0,0]=3 1705 B11R0.159 CC(C)(F)CSCCCCC=O 62a_100000139335_100011997219 [1,1,0,0,0,0|1,0,0]=3 1706 B11R0.159 CC(C)(F)CSCCCCC=O 62a_100011997219_100000139335 [1,1,0,0,0,0|1,0,0]=3 1707 B11R0.159 CC(C)(O)CCCCCSCF 62a_100010402123_100015361967 [1,1,0,0,0,0|1,0,1]=4 1708 B11R0.159 CC(C)(O)CCCCCSCF 62a_100015361967_100010402123 [1,1,0,0,0,0|1,0,1]=4 1709 B11R0.159 CC(C)(O)CCCNCCCF 2230a_100015189416_100009888830 [1,1,0,0,0,0|1,0,1]=4 1710 B11R0.159 CC(C)(O)CCCNCCCF 34a_100015189416_100009888830 [1,1,0,0,0,0|1,0,1]=4 1711 B11R0.159 CC(C)(O)CCCOCCCBr 34a_100011217188_100009888830 [1,1,0,0,0,0|1,0,1]=4 1712 B11R0.159 CC(C)(O)CCCOCCCCl 34a_100000230001_100009888830 [1,1,0,0,0,0|1,0,1]=4 1713 B11R0.159 CC(C)(O)CCCOCCCF 34a_100000759539_100009888830 [1,1,0,0,0,0|1,0,1]=4 1714 B11R0.159 CC(C)(O)CCCOCCCN 34a_100000182051_100009888830 [1,1,0,0,0,0|1,0,1]=4 1715 B11R0.159 CC(C)(O)CCCOCCON 34a_100000700252_100009888830 [1,1,0,0,0,0|2,0,0]=4 1716 B11R0.159 CC(C)(O)CCCSCCC#N 62a_100009888830_100011215226 [1,1,0,0,0,0|1,0,1]=4 1717 B11R0.159 CC(C)(O)CCCSCCC#N 62a_100011215226_100009888830 [1,1,0,0,0,0|1,0,1]=4 1718 B11R0.159 CC(C)(O)CCCSCCCF 62a_100009888830_100011934791 [1,1,0,0,0,0|1,0,1]=4 1719 B11R0.159 CC(C)(O)CCCSCCCF 62a_100011934791_100009888830 [1,1,0,0,0,0|1,0,1]=4 1720 B11R0.159 CC(C)(O)CCCSCCCO 62a_100009888830_100011215043 [1,1,0,0,0,0|0,0,2]=4 1721 B11R0.159 CC(C)(O)CCCSCCCO 62a_100011215043_100009888830 [1,1,0,0,0,0|0,0,2]=4 1722 B11R0.159 CC(C)(O)CCNCCCCO 2230a_100000750430_100000702414 [1,1,0,0,0,0|0,0,2]=4 1723 B11R0.159 CC(C)(O)CCNCCCCO 34a_100000750430_100000702414 [1,1,0,0,0,0|0,0,2]=4 1724 B11R0.159 CC(C)(O)CCOCCCCBr 34a_100011216708_100000702414 [1,1,0,0,0,0|1,0,1]=4 1725 B11R0.159 CC(C)(O)CCOCCCCCl 34a_100000210776_100000702414 [1,1,0,0,0,0|1,0,1]=4 1726 B11R0.159 CC(C)(O)CCOCCCCCl 7a_100000210776_100000702414 [1,1,0,0,0,0|1,0,1]=4 1727 B11R0.159 CC(C)(O)CCOCCCCF 34a_100011995726_100000702414 [1,1,0,0,0,0|1,0,1]=4 1728 B11R0.159 CC(C)(O)CCOCCCCF 7a_100011995726_100000702414 [1,1,0,0,0,0|1,0,1]=4 1729 B11R0.159 CC(C)(O)CCOCCCCI 34a_200012148704_100000702414 [1,1,0,0,0,0|1,0,1]=4 1730 B11R0.159 CC(C)(O)CCOCCCCN 34a_100000750430_100000702414 [1,1,0,0,0,0|1,0,1]=4 1731 B11R0.159 CC(C)(O)CCSCCCC#N 62a_100000687738_100000702414 [1,1,0,0,0,0|1,0,1]=4 1732 B11R0.159 CC(C)(O)CCSCCCC#N 62a_100000702414_100000687738 [1,1,0,0,0,0|1,0,1]=4 1733 B11R0.159 CC(C)(O)CCSCCCC=O 62a_100000702414_200011292268 [1,1,0,0,0,0|0,0,0]=2 1734 B11R0.159 CC(C)(O)CCSCCCC=O 62a_200011292268_100000702414 [1,1,0,0,0,0|0,0,0]=2 1735 B11R0.159 CC(C)(O)CCSCCCCF 62a_100000702414_100000729493 [1,1,0,0,0,0|1,0,1]=4 1736 B11R0.159 CC(C)(O)CCSCCCCF 62a_100000729493_100000702414 [1,1,0,0,0,0|1,0,1]=4 1737 B11R0.159 CC(C)(O)CCSCCCCO 62a_100000210776_100000702414 [1,1,0,0,0,0|0,0,2]=4 1738 B11R0.159 CC(C)(O)CCSCCCCO 62a_100000702414_100000210776 [1,1,0,0,0,0|0,0,2]=4 1739 B11R0.159 CC(C)(O)CNCCCCC#N 2230a_100000751335_100000211819 [1,1,0,0,0,0|1,0,1]=4 1740 B11R0.159 CC(C)(O)CNCCCCC=O 2230a_100000751335_100000139335 [1,1,0,0,0,0|0,0,0]=2 1741 B11R0.159 CC(C)(O)CNCCCCCF 2230a_100000751335_100000729378 [1,1,0,0,0,0|1,0,1]=4 1742 B11R0.159 CC(C)(O)CNCCCCCO 2230a_100000751335_100000746330 [1,1,0,0,0,0|0,0,2]=4 1743 B11R0.159 CC(C)(O)CNCCCCCO 34a_100000762737_100000764493 [1,1,0,0,0,0|0,0,2]=4 1744 B11R0.159 CC(C)(O)COCCCCCBr 34a_100000746331_100000764493 [1,1,0,0,0,0|1,0,1]=4 1745 B11R0.159 CC(C)(O)COCCCCCBr 7a_100000746331_100000764493 [1,1,0,0,0,0|1,0,1]=4 1746 B11R0.159 CC(C)(O)COCCCCCCl 34a_100000746330_100000764493 [1,1,0,0,0,0|1,0,1]=4 1747 B11R0.159 CC(C)(O)COCCCCCCl 7a_100000746330_100000764493 [1,1,0,0,0,0|1,0,1]=4 1748 B11R0.159 CC(C)(O)COCCCCCI 34a_200012148887_100000764493 [1,1,0,0,0,0|1,0,1]=4 1749 B11R0.159 CC(C)(O)COCCCCCI 7a_200012148887_100000764493 [1,1,0,0,0,0|1,0,1]=4 1750 B11R0.159 CC(C)(O)COCCCCCN 34a_100000762737_100000764493 [1,1,0,0,0,0|1,0,1]=4 1751 B11R0.159 CC(C)(O)CSCCCCC#N 62a_100000764493_100000211819 [1,1,0,0,0,0|1,0,1]=4 1752 B11R0.159 CC(C)(O)CSCCCCC#N 62a_100011219923_100000764493 [1,1,0,0,0,0|1,0,1]=4 1753 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000139335_100000764493 [1,1,0,0,0,0|0,0,0]=2 1754 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000764493_100000139335 [1,1,0,0,0,0|0,0,0]=2 1755 B11R0.159 CC(C)(O)CSCCCCCF 62a_100000729378_100000764493 [1,1,0,0,0,0|1,0,1]=4 1756 B11R0.159 CC(C)(O)CSCCCCCF 62a_100000764493_100000729378 [1,1,0,0,0,0|1,0,1]=4 1757 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000746330_100000764493 [1,1,0,0,0,0|0,0,2]=4 1758 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000764493_100000746330 [1,1,0,0,0,0|0,0,2]=4 1759 B11R0.159 CC=CCCCOCC(C)(C)O 34a_100020645299_100000764493 [1,1,0,0,0,0|1,0,1]=4 1760 B11R0.159 CC=CCSCCCC(C)(C)O 62a_100000070051_100009888830 [1,1,0,0,0,0|1,0,1]=4 1761 B11R0.159 CC=CCSCCCC(C)(C)O 62a_100009888830_100000070051 [1,1,0,0,0,0|1,0,1]=4 1762 B11R0.159 CCCCCCNCC(C)(C)O 2230a_100000751335_100000210314 [1,1,0,0,0,0|1,0,1]=4 1763 B11R0.159 CCCCCCOCC(C)(C)O 34a_100000210259_100000764493 [1,1,0,0,0,0|1,0,1]=4 1764 B11R0.159 CCCCCCOCC(C)(C)O 7a_100000210259_100000764493 [1,1,0,0,0,0|1,0,1]=4 1765 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000210314_100000764493 [1,1,0,0,0,0|1,0,1]=4 1766 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000764493_100000210757 [1,1,0,0,0,0|1,0,1]=4 1767 B11R0.159 CCCCCNCCC(C)(C)O 2230a_100000209983_100000702414 [1,1,0,0,0,0|1,0,1]=4 1768 B11R0.159 CCCCCOCCC(C)(C)O 34a_100000210253_100000702414 [1,1,0,0,0,0|1,0,1]=4 1769 B11R0.159 CCCCCOCCC(C)(C)O 7a_100000210253_100000702414 [1,1,0,0,0,0|1,0,1]=4 1770 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000210326_100000702414 [1,1,0,0,0,0|1,0,1]=4 1771 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000702414_100000210326 [1,1,0,0,0,0|1,0,1]=4 1772 B11R0.159 CCCCNCCCC(C)(C)O 2230a_100000102301_100009888830 [1,1,0,0,0,0|1,0,1]=4 1773 B11R0.159 CCCCNCCCC(C)(C)O 7a_106832991798_100009888830 [1,1,0,0,0,0|1,0,1]=4 1774 B11R0.159 CCCCOCCCC(C)(C)O 34a_100000210227_100009888830 [1,1,0,0,0,0|1,0,1]=4 1775 B11R0.159 CCCCOCCCC(C)(C)O 7a_100000210227_100009888830 [1,1,0,0,0,0|1,0,1]=4 1776 B11R0.159 CCCCSCCCC(C)(C)O 62a_100000210211_100009888830 [1,1,0,0,0,0|1,0,1]=4 1777 B11R0.159 CCCCSCCCC(C)(C)O 62a_100009888830_100000210210 [1,1,0,0,0,0|1,0,1]=4 1778 B11R0.159 CCNCCCCCC(C)(C)O 2230a_100015525214_100010402123 [1,1,0,0,0,0|1,0,1]=4 1779 B11R0.159 CCOCCCCCC(C)(C)O 34a_100121572206_100010402123 [1,1,0,0,0,0|1,0,1]=4 1780 B11R0.159 CCSCCCCCC(C)(C)O 62a_100000210202_100010402123 [1,1,0,0,0,0|1,0,1]=4 1781 B11R0.159 CCSCCCCCC(C)(C)O 62a_100010402123_100000210202 [1,1,0,0,0,0|1,0,1]=4 1782 B11R0.159 CNCCCOCCC(C)(C)O 34a_100000213112_100000702414 [1,1,0,0,0,0|2,0,0]=4 1783 B11R0.159 COCCCCNCC(C)(C)O 2230a_100000751335_100000730899 [1,1,0,0,0,0|2,0,0]=4 1784 B11R0.159 COCCCCOCC(C)(C)O 34a_100000740925_100000764493 [1,1,0,0,0,0|2,0,0]=4 1785 B11R0.159 COCCCCSCC(C)(C)O 62a_100000730899_100000764493 [1,1,0,0,0,0|2,0,0]=4 1786 B11R0.159 COCCCCSCC(C)(C)O 62a_100000764493_100000730899 [1,1,0,0,0,0|2,0,0]=4 1787 B11R0.159 COCCCNCCC(C)(C)O 34a_100150723488_100000702414 [1,1,0,0,0,0|2,0,0]=4 1788 B11R0.159 COCCCOCCC(C)(C)O 34a_100000740835_100000702414 [1,1,0,0,0,0|2,0,0]=4 1789 B11R0.159 COCCCSCCC(C)(C)O 62a_100000702414_100000709357 [1,1,0,0,0,0|2,0,0]=4 1790 B11R0.159 COCCCSCCC(C)(C)O 62a_100000709357_100000702414 [1,1,0,0,0,0|2,0,0]=4 1791 B11R0.159 COCCNCCCC(C)(C)O 2230a_100000209980_100009888830 [1,1,0,0,0,0|2,0,0]=4 1792 B11R0.159 COCCOCCCC(C)(C)O 34a_100000210237_100009888830 [1,1,0,0,0,0|2,0,0]=4 1793 B11R0.159 COCCSCCCC(C)(C)O 62a_100000233755_100009888830 [1,1,0,0,0,0|2,0,0]=4 1794 B11R0.159 COCCSCCCC(C)(C)O 62a_100009888830_100000233755 [1,1,0,0,0,0|2,0,0]=4 1795 B11R0.159 CSCCCCOCC(C)(C)O 34a_100011217163_100000764493 [1,1,0,0,0,0|2,0,0]=4 1796 B11R0.159 CSCCCCOCC(C)(C)O 7a_100011217163_100000764493 [1,1,0,0,0,0|2,0,0]=4 1797 B11R0.159 CSCCCNCCC(C)(C)O 2230a_100000749238_100000702414 [1,1,0,0,0,0|2,0,0]=4 1798 B11R0.159 CSCCCOCCC(C)(C)O 34a_100000690336_100000702414 [1,1,0,0,0,0|2,0,0]=4 1799 B11R0.159 CSCCCOCCC(C)(C)O 7a_100000690336_100000702414 [1,1,0,0,0,0|2,0,0]=4 1800 B11R0.159 CSCCNCCCC(C)(C)O 2230a_100020590264_100009888830 [1,1,0,0,0,0|2,0,0]=4 1801 B11R0.159 CSCCOCCCC(C)(C)O 34a_100000230434_100009888830 [1,1,0,0,0,0|2,0,0]=4 1802 B11R0.159 CSCCOCCCC(C)(C)O 7a_100000230434_100009888830 [1,1,0,0,0,0|2,0,0]=4 1803 B11R0.159 CSCCSCCCC(C)(C)O 62a_100000212216_100009888830 [1,1,0,0,0,0|2,0,0]=4 1804 B11R0.159 CSCCSCCCC(C)(C)O 62a_100009888830_100000751147 [1,1,0,0,0,0|2,0,0]=4 1805 B11R0.159 C[N+](C)(C)CCOCCCC=O 7a_200020618287_200011292268 [1,1,0,0,0,0|2,0,0]=4 1806 B11R0.159 C[N+](C)(C)CCSCCCC=O 62a_100000085578_200011292268 [1,1,0,0,0,0|2,0,0]=4 1807 B11R0.159 C[N+](C)(C)CCSCCCC=O 62a_200011292268_100000085578 [1,1,0,0,0,0|2,0,0]=4 1808 B11R0.159 C[N+](C)(C)CSCCCCC=O 62a_100000139335_200000036245 [1,1,0,0,0,0|2,0,0]=4 1809 B11R0.159 C[N+](C)(C)CSCCCCC=O 62a_200000036245_100000139335 [1,1,0,0,0,0|2,0,0]=4 1810 B11R0.159 C[Si](C)(C)CCCCOCC=O 7a_200009881916_200015260668 [1,1,0,0,0,0|1,1,0]=4 1811 B11R0.159 C[Si](C)(C)CCOCCCC=O 7a_100000039746_200011292268 [1,1,0,0,0,0|1,1,0]=4 1812 B11R0.159 C[Si](C)(C)CCSCCCC=O 62a_200000733723_200011292268 [1,1,0,0,0,0|1,1,0]=4 1813 B11R0.159 C[Si](C)(C)CCSCCCC=O 62a_200011292268_200000733723 [1,1,0,0,0,0|1,1,0]=4 1814 B11R0.159 C[Si](C)(C)CSCCCCC=O 62a_100000037933_100000139335 [1,1,0,0,0,0|1,1,0]=4 1815 B11R0.159 C[Si](C)(C)CSCCCCC=O 62a_100000139335_100000037933 [1,1,0,0,0,0|1,1,0]=4 1816 B11R0.165 C=CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000757094 [1,1,0,0,0,0|1,0,1]=4 1817 B11R0.165 C=CCCCN(C)CC(C)(C)O 2230a_100000755907_100011713584 [1,1,0,0,0,0|2,0,0]=4 1818 B11R0.165 C=CCCCN(C)CC(C)(C)O 269982a_100000755907_100000757094 [1,1,0,0,0,0|2,0,0]=4 1819 B11R0.165 CC(COCC=O)CC(C)(C)C 7a_200011215325_200015260668 [1,1,0,0,0,0|2,0,0]=4 1820 B11R0.165 CN(CCCC=O)CC(C)(C)C 2230a_100000742839_200011292268 [1,1,0,0,0,0|2,0,0]=4 1821 B11R0.165 CN(CCCC=O)CC(C)(C)C 269982a_100000742839_200011292268 [1,1,0,0,0,0|2,0,0]=4 1822 B11R0.165 CN(CCCC=O)CC(C)(C)O 2230a_100000755907_200011292268 [1,1,0,0,0,0|1,0,0]=3 1823 B11R0.165 CN(CCCC=O)CC(C)(C)O 269982a_100000755907_200011292268 [1,1,0,0,0,0|1,0,0]=3 1824 B11R0.24 C=CC(CC)OCCC(C)(C)O 34a_100000766422_100000702414 [1,1,0,0,0,0|1,0,1]=4 1825 B11R0.24 C=CC(CC)OCCC(C)(C)O 7a_100000766422_100000702414 [1,1,0,0,0,0|1,0,1]=4 1826 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)O 2230a_100016989147_100000702414 [1,1,0,0,0,0|1,0,1]=4 1827 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)O 34a_100016989147_100000702414 [1,1,0,0,0,0|1,0,1]=4 1828 B11R0.24 CC(C)(O)CCNC(CO)CO 2230a_100000759517_100000702414 [1,1,0,0,0,0|1,0,1]=4 1829 B11R0.24 CC(C)(O)CCOC(CCl)CCl 7a_100000737055_100000702414 [1,1,0,0,0,0|2,0,0]=4 1830 B11R0.24 CC(C)(O)CCOC(CF)CF 34a_100000032261_100000702414 [1,1,0,0,0,0|2,0,0]=4 1831 B11R0.24 CC(C)(O)CCOC(CF)CF 7a_100000032261_100000702414 [1,1,0,0,0,0|2,0,0]=4 1832 B11R0.24 CC(C)(O)CCOC(CN)CN 34a_100000031598_100000702414 [1,1,0,0,0,0|2,0,0]=4 1833 B11R0.24 CC(C)(O)CCO[C@@H](CF)CCl 34a_100015614560_100000702414 [1,1,0,0,0,0|2,0,0]=4 1834 B11R0.24 CC(C)(O)CCO[C@@H](CF)CCl 7a_100015614560_100000702414 [1,1,0,0,0,0|2,0,0]=4 1835 B11R0.24 CC(C)(O)CCSC(C=O)C=O 62a_100000702414_100000736813 [1,1,0,0,0,0|1,0,1]=4 1836 B11R0.24 CC(C)(O)CCSC(C=O)C=O 62a_100000736813_100000702414 [1,1,0,0,0,0|1,0,1]=4 1837 B11R0.24 CCC(CC)CNCC(C)(C)O 2230a_100000751335_100011215472 [1,1,0,0,0,0|1,0,1]=4 1838 B11R0.24 CCC(CC)CNCC(C)(C)O 269862a_100000751335_100000211137 [1,1,0,0,0,0|1,0,1]=4 1839 B11R0.24 CCC(CC)CNCC(C)(C)O 270004a_100000751335_100000211137 [1,1,0,0,0,0|1,0,1]=4 1840 B11R0.24 CCC(CC)COCC(C)(C)O 7a_100000703878_100000764493 [1,1,0,0,0,0|1,0,1]=4 1841 B11R0.24 CCC(CC)CSCC(C)(C)O 62a_100000764493_100011215472 [1,1,0,0,0,0|1,0,1]=4 1842 B11R0.24 CCC(CC)CSCC(C)(C)O 62a_100011215472_100000764493 [1,1,0,0,0,0|1,0,1]=4 1843 B11R0.24 CCC(CC)NCCC(C)(C)O 2230a_100000199018_100000702414 [1,1,0,0,0,0|1,0,1]=4 1844 B11R0.24 CCC(CC)NCCC(C)(C)O 270004a_100000707701_100000210860 [1,1,0,0,0,0|1,0,1]=4 1845 B11R0.24 CCC(CC)OCCC(C)(C)O 7a_100000688536_100000702414 [1,1,0,0,0,0|1,0,1]=4 1846 B11R0.24 CCC(CC)SCCC(C)(C)O 62a_100000210505_100000702414 [1,1,0,0,0,0|1,0,1]=4 1847 B11R0.24 CCC(CC)SCCC(C)(C)O 62a_100000702414_100000210505 [1,1,0,0,0,0|1,0,1]=4 1848 B11R0.24 CCC(COCC(C)(C)O)OC 34a_100011934954_100000764493 [1,1,0,0,0,0|1,0,1]=4 1849 B11R0.24 CCC(COCC(C)(C)O)OC 7a_100011934954_100000764493 [1,1,0,0,0,0|1,0,1]=4 1850 B11R0.24 CCN(CC)CCCC(C)(C)O 2230a_100000724800_100009888830 [1,1,0,0,0,0|1,0,1]=4 1851 B11R0.24 CCN(CC)CCCC(C)(C)O 269956a_100000042499_100009888830 [1,1,0,0,0,0|1,0,1]=4 1852 B11R0.24 CCN(CC)CCCC(C)(C)O 269982a_100000724800_100009888830 [1,1,0,0,0,0|1,0,1]=4 1853 B11R0.24 CC[C@@H](CO)NCCC(C)(C)O 2230a_100000709445_100000702414 [1,1,0,0,0,0|1,0,1]=4 1854 B11R0.89 CC(CO)CNC(C)C(C)(C)O 269862a_100000744482_100000747739 [1,1,0,0,0,0|1,0,1]=4 1855 B11R0.89 CCC(C)CNC(C)C(C)(C)O 269862a_100020588543_100000747739 [1,1,0,0,0,0|1,0,1]=4 1856 B11R0.89 CCC(C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000748023 [1,1,0,0,0,0|1,0,1]=4 1857 B11R0.89 CC[C@H](C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100009816398 [1,1,0,0,0,0|1,0,1]=4 1858 B11R0.89 C[C@@H](CO)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000059175 [1,1,0,0,0,0|1,0,1]=4 1859 B11R0.119 CCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748023 [1,1,0,0,0,0|0,0,2]=4 1860 B11R0.119 CCC(C)CN(C)CC(C)(C)O 2230a_100000755907_100000748023 [1,1,0,0,0,0|1,0,1]=4 1861 B11R0.119 CCC(C)CN(C)CC(C)(C)O 269982a_100000755907_100000748023 [1,1,0,0,0,0|1,0,1]=4 1862 B11R0.119 CCC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000243153 [1,1,0,0,0,0|1,0,1]=4 1863 B11R0.119 CC[C@H](C)CC(=O)CC(C)(C)O 1458a_100000693243_100009816398 [1,1,0,0,0,0|0,0,2]=4 1864 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O 2230a_100000755907_100009816398 [1,1,0,0,0,0|1,0,1]=4 1865 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O 269982a_100000755907_100009816398 [1,1,0,0,0,0|1,0,1]=4 1866 B11R0.119 C[C@@H](CO)CC(=O)CC(C)(C)O 1458a_100000693243_100000059175 [1,1,0,0,0,0|0,0,2]=4 1867 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 2230a_100000755907_100000059175 [1,1,0,0,0,0|1,0,1]=4 1868 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 269982a_100000755907_100000059175 [1,1,0,0,0,0|1,0,1]=4 1869 B11R0.131 C=CC(C)(C)OCCC(C)(C)O 34a_100011215311_100000702414 [1,1,0,0,0,0|1,0,1]=4 1870 B11R0.131 C=CC(C)(C)OCCC(C)(C)O 7a_100011215311_100000702414 [1,1,0,0,0,0|1,0,1]=4 1871 B11R0.131 CC(C)(O)CCNC(C)(C)CO 2230a_100000210608_100000702414 [1,1,0,0,0,0|1,0,1]=4 1872 B11R0.131 CC(C)(O)CCOC(C)(C)CCl 7a_100000764493_100000702414 [1,1,0,0,0,0|2,0,0]=4 1873 B11R0.131 CC(C)(O)COCC(C)(C)CCl 7a_100011217199_100000764493 [1,1,0,0,0,0|2,0,0]=4 1874 B11R0.131 CC(C)(O)CSCC(C)(C)CO 62a_100000764493_100009813988 [1,1,0,0,0,0|1,0,1]=4 1875 B11R0.131 CC(C)(O)CSCC(C)(C)CO 62a_100009813988_100000764493 [1,1,0,0,0,0|1,0,1]=4 1876 B11R0.131 CCC(C)(C)COCC(C)(C)O 7a_100000765029_100000764493 [1,1,0,0,0,0|1,0,1]=4 1877 B11R0.131 CCC(C)(C)NCCC(C)(C)O 2230a_100000211385_100000702414 [1,1,0,0,0,0|1,0,1]=4 1878 B11R0.131 CCC(C)(C)OCCC(C)(C)O 7a_100000210230_100000702414 [1,1,0,0,0,0|1,0,1]=4 1879 B11R0.131 CCC(C)(C)SCCC(C)(C)O 62a_100000032637_100000702414 [1,1,0,0,0,0|1,0,1]=4 1880 B11R0.131 CCC(C)(C)SCCC(C)(C)O 62a_100000702414_100000032637 [1,1,0,0,0,0|1,0,1]=4 1881 B11R0.290 C=C[C@@H](C)[C@@H](C)OCC(C)(C)O 34a_100015455354_100000764493 [1,1,0,0,0,0|1,0,1]=4 1882 B11R0.290 C=C[C@@H](C)[C@@H](C)OCC(C)(C)O 7a_100015455354_100000764493 [1,1,0,0,0,0|1,0,1]=4 1883 B11R0.290 CC(CO)N(C)CCC(C)(C)O 2230a_100000693034_100000702414 [1,1,0,0,0,0|1,0,1]=4 1884 B11R0.290 CCC(C)C(C)NCC(C)(C)O 269862a_100000751335_100000210599 [1,1,0,0,0,0|1,0,1]=4 1885 B11R0.290 CCC(C)C(C)NCC(C)(C)O 270004a_100000751335_100000210599 [1,1,0,0,0,0|1,0,1]=4 1886 B11R0.290 CCC(C)C(C)OCC(C)(C)O 7a_100011215189_100000764493 [1,1,0,0,0,0|1,0,1]=4 1887 B11R0.290 CCC(C)N(C)CCC(C)(C)O 2230a_100000741768_100000702414 [1,1,0,0,0,0|1,0,1]=4 1888 B11R0.318 C=C(C)C(C)NCCC(C)(C)O 269862a_100000707701_100011216138 [1,1,0,0,0,0|1,0,1]=4 1889 B11R0.318 CC(=O)C(C)COCC(C)(C)C 34a_100000032740_100011219605 [1,1,0,0,0,0|2,0,0]=4 1890 B11R0.318 CC(=O)C(C)COCC(C)(C)F 34a_100000032740_100011997219 [1,1,0,0,0,0|2,0,0]=4 1891 B11R0.318 CC(=O)C(C)COCC(C)(C)O 34a_100000032740_100000764493 [1,1,0,0,0,0|1,0,0]=3 1892 B11R0.318 CC(=O)C(C)COCC(C)(C)O 7a_100000032740_100000764493 [1,1,0,0,0,0|1,0,0]=3 1893 B11R0.318 CC(=O)C(C)NCCC(C)(C)C 2230a_100000738805_100009814033 [1,1,0,0,0,0|2,0,0]=4 1894 B11R0.318 CC(=O)C(C)NCCC(C)(C)F 2230a_100016253952_100009814033 [1,1,0,0,0,0|2,0,0]=4 1895 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 34a_100000212229_100000755188 [1,1,0,0,0,0|2,0,0]=4 1896 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 7a_100000765024_100000179758 [1,1,0,0,0,0|2,0,0]=4 1897 B11R0.318 CC(=O)C(C)OCCC(C)(C)O 34a_100000212229_100000702414 [1,1,0,0,0,0|1,0,0]=3 1898 B11R0.318 CC(=O)C(C)SCCC(C)(C)C 62a_100000755188_100009814033 [1,1,0,0,0,0|2,0,0]=4 1899 B11R0.318 CC(=O)C(C)SCCC(C)(C)C 62a_100009814033_100000755188 [1,1,0,0,0,0|2,0,0]=4 1900 B11R0.318 CC(=O)C(C)SCCC(C)(C)O 62a_100000702414_100009814033 [1,1,0,0,0,0|1,0,0]=3 1901 B11R0.318 CC(=O)C(C)SCCC(C)(C)O 62a_100009814033_100000702414 [1,1,0,0,0,0|1,0,0]=3 1902 B11R0.318 CC(C)(O)CCSC(F)C(=O)N 62a_100000702414_100009813875 [1,1,0,0,0,0|2,0,0]=4 1903 B11R0.318 CC(C)(O)CCSC(F)C(=O)N 62a_100009813875_100000702414 [1,1,0,0,0,0|2,0,0]=4 1904 B11R0.318 CC(C)(O)CCSC(F)C(=O)[O-] 62a_100000702414_100020610796 [1,1,0,0,0,0|2,0,0]=4 1905 B11R0.318 CC(C)(O)CCSC(F)C(=O)[O-] 62a_100020610796_100000702414 [1,1,0,0,0,0|2,0,0]=4 1906 B11R0.318 CC(C)(O)CNCC(F)C(=O)O 269956a_100000084737_100000764493 [1,1,0,0,0,0|2,0,0]=4 1907 B11R0.318 CC(C)(O)COC[C@H](N)C(=O)N 34a_100000729942_100000764493 [1,1,0,0,0,0|2,0,0]=4 1908 B11R0.318 CC(C)C(C)NCCC(C)(C)O 2230a_100000211541_100000702414 [1,1,0,0,0,0|1,0,1]=4 1909 B11R0.318 CC(C)C(C)OCCC(C)(C)O 7a_100000748068_100000702414 [1,1,0,0,0,0|1,0,1]=4 1910 B11R0.318 CC(C)N(C)CCCC(C)(C)O 269982a_200000211004_100009888830 [1,1,0,0,0,0|1,0,1]=4 1911 B11R0.318 CC(CNCC(C)(C)C)C(=O)O 269956a_100000749485_100011219605 [1,1,0,0,0,0|2,0,0]=4 1912 B11R0.318 CC(CNCC(C)(C)F)C(=O)O 269956a_100000749485_100011997219 [1,1,0,0,0,0|2,0,0]=4 1913 B11R0.318 CC(CNCC(C)(C)O)C(=O)O 269956a_100000749485_100000764493 [1,1,0,0,0,0|1,0,0]=3 1914 B11R0.318 CC(COCC(C)(C)O)[N+](=O)[O-] 34a_100000039676_100000764493 [1,1,0,0,0,0|2,0,0]=4 1915 B11R0.318 CC(COCC(C)(C)O)[N+](=O)[O-] 7a_100000039676_100000764493 [1,1,0,0,0,0|2,0,0]=4 1916 B11R0.318 CC(NCCC(C)(C)C)C(=O)N 2230a_100000738805_100000702099 [1,1,0,0,0,0|2,0,0]=4 1917 B11R0.318 CC(NCCC(C)(C)F)C(=O)N 2230a_100016253952_100000702099 [1,1,0,0,0,0|2,0,0]=4 1918 B11R0.318 CC(OCCC(C)(C)C)C(=O)N 7a_100000765024_100000702099 [1,1,0,0,0,0|2,0,0]=4 1919 B11R0.318 CC(SCCC(C)(C)C)C(=O)N 62a_100000702099_100000755188 [1,1,0,0,0,0|2,0,0]=4 1920 B11R0.318 CC(SCCC(C)(C)C)C(=O)N 62a_100000755188_100000702099 [1,1,0,0,0,0|2,0,0]=4 1921 B11R0.318 CC(SCCC(C)(C)O)C(=O)N 62a_100000702099_100000702414 [1,1,0,0,0,0|1,0,0]=3 1922 B11R0.318 CC(SCCC(C)(C)O)C(=O)N 62a_100000702414_100000702099 [1,1,0,0,0,0|1,0,0]=3 1923 B11R0.318 C[C@@H](NCCC(C)(C)C)C(=O)N 2230a_100000119354_100000755188 [1,1,0,0,0,0|2,0,0]=4 1924 B11R0.318 C[C@@H](NCCC(C)(C)C)C(=O)N 34a_100000119354_100000755188 [1,1,0,0,0,0|2,0,0]=4 1925 B11R0.318 C[C@@H](NCCC(C)(C)O)C(=O)N 2230a_100000119354_100000702414 [1,1,0,0,0,0|1,0,0]=3 1926 B11R0.318 C[C@@H](NCCC(C)(C)O)C(=O)N 34a_100000119354_100000702414 [1,1,0,0,0,0|1,0,0]=3 1927 B11R0.318 C[C@@H](OCCC(C)(C)C)C(=O)N 34a_100000731257_100000755188 [1,1,0,0,0,0|2,0,0]=4 1928 B11R0.318 C[C@@H](OCCC(C)(C)C)C(=O)N 7a_100000731257_100000755188 [1,1,0,0,0,0|2,0,0]=4 1929 B11R0.318 C[C@@H](OCCC(C)(C)O)C(=O)N 34a_100000731257_100000702414 [1,1,0,0,0,0|1,0,0]=3 1930 B11R0.318 C[C@@H](OCCC(C)(C)O)C(=O)N 7a_100000731257_100000702414 [1,1,0,0,0,0|1,0,0]=3 1931 B11R0.318 C[C@H](NCCC(C)(C)C)C(=O)O 269956a_100000743915_100000755188 [1,1,0,0,0,0|2,0,0]=4 1932 B11R0.318 C[C@H](NCCC(C)(C)O)C(=O)O 269956a_100000743915_100000702414 [1,1,0,0,0,0|1,0,0]=3 1933 B11R0.318 C[C@H](OCCC(C)(C)C)C(=O)[O-] 7a_217856618621_100000755188 [1,1,0,0,0,0|2,0,0]=4 1934 B11R0.318 C[C@H](OCCC(C)(C)O)C(=O)[O-] 7a_217856618621_100000702414 [1,1,0,0,0,0|1,0,0]=3 1935 B11R0.320 C=CC(C)CCCC(C)(C)OC 7a_100000032255_200000210301 [1,1,0,0,0,0|0,0,1]=3 1936 B11R0.320 C=CC(C)CCCC(C)(C)O[13CH3] 7a_100000032255_200025704644 [1,1,0,0,0,0|0,0,1]=3 1937 B11R0.320 C=CC(C)COCC(C)(C)CO 34a_100011215527_100009813988 [1,1,0,0,0,0|1,0,1]=4 1938 B11R0.320 C=CC(C)COCC(C)(C)CO 7a_100011215527_100009813988 [1,1,0,0,0,0|1,0,1]=4 1939 B11R0.320 C=CC(C)COCC(C)(C)OC 34a_100011215527_100000701081 [1,1,0,0,0,0|1,0,1]=4 1940 B11R0.320 CC(CN)COCC(C)(C)CO 34a_100000744482_100009813988 [1,1,0,0,0,0|2,0,0]=4 1941 B11R0.320 CC(CO)CNCC(C)(C)CO 34a_100000744482_100009813988 [1,1,0,0,0,0|1,0,1]=4 1942 B11R0.320 CCC(C)CNCC(C)(C)CO 2230a_100020635058_100000748023 [1,1,0,0,0,0|1,0,1]=4 1943 B11R0.320 CCC(C)CNCC(C)(C)CO 270004a_100020635058_100000243153 [1,1,0,0,0,0|1,0,1]=4 1944 B11R0.320 CCC(C)CNCC(C)(C)OC 2230a_100000763424_100000748023 [1,1,0,0,0,0|1,0,1]=4 1945 B11R0.320 CCC(C)CNCC(C)(C)OC 270004a_100000763424_100000243153 [1,1,0,0,0,0|1,0,1]=4 1946 B11R0.320 CCC(C)CSCC(C)(C)CO 62a_100000748023_100009813988 [1,1,0,0,0,0|1,0,1]=4 1947 B11R0.320 CCC(C)CSCC(C)(C)CO 62a_100009813988_100000748023 [1,1,0,0,0,0|1,0,1]=4 1948 B11R0.320 CCC(C)CSCC(C)(C)OC 62a_100000701081_100000748023 [1,1,0,0,0,0|1,0,1]=4 1949 B11R0.320 CCC(C)CSCC(C)(C)OC 62a_100000748023_100000701081 [1,1,0,0,0,0|1,0,1]=4 1950 B11R0.320 CCC(C)OCCC(C)(C)OC 7a_100000699976_100000758301 [1,1,0,0,0,0|1,0,1]=4 1951 B11R0.320 CC[C@H](C)CNCC(C)(C)CO 2230a_100020635058_100009816398 [1,1,0,0,0,0|1,0,1]=4 1952 B11R0.320 CC[C@H](C)CNCC(C)(C)OC 2230a_100000763424_100009816398 [1,1,0,0,0,0|1,0,1]=4 1953 B11R0.320 CC[C@H](C)COCC(C)(C)CO 7a_100009816381_100009813988 [1,1,0,0,0,0|1,0,1]=4 1954 B11R0.320 CC[C@H](C)CSCC(C)(C)CO 62a_100009813988_100009816398 [1,1,0,0,0,0|1,0,1]=4 1955 B11R0.320 CC[C@H](C)CSCC(C)(C)CO 62a_100009816398_100009813988 [1,1,0,0,0,0|1,0,1]=4 1956 B11R0.320 CC[C@H](C)CSCC(C)(C)OC 62a_100000701081_100009816398 [1,1,0,0,0,0|1,0,1]=4 1957 B11R0.320 CC[C@H](C)CSCC(C)(C)OC 62a_100009816398_100000701081 [1,1,0,0,0,0|1,0,1]=4 1958 B11R0.320 COC(C)(C)CCOC(C)CO 7a_100000699976_100012180447 [1,1,0,0,0,0|1,0,1]=4 1959 B11R0.320 COC(C)(C)CNCC(C)CO 34a_100000744482_100000701081 [1,1,0,0,0,0|1,0,1]=4 1960 B11R0.320 COC(C)(C)CNC[C@@H](C)CO 2230a_100000763424_100000059175 [1,1,0,0,0,0|1,0,1]=4 1961 B11R0.320 COC(C)(C)COCC(C)CN 34a_100000744482_100000701081 [1,1,0,0,0,0|2,0,0]=4 1962 B11R0.320 COC(C)(C)CSC[C@@H](C)CO 62a_100000059175_100000701081 [1,1,0,0,0,0|1,0,1]=4 1963 B11R0.320 COC(C)(C)CSC[C@@H](C)CO 62a_100000701081_100000059175 [1,1,0,0,0,0|1,0,1]=4 1964 B11R0.320 C[C@@H](CO)CNCC(C)(C)CO 2230a_100020635058_100000059175 [1,1,0,0,0,0|1,0,1]=4 1965 B11R0.320 C[C@@H](CO)CSCC(C)(C)CO 62a_100000059175_100009813988 [1,1,0,0,0,0|1,0,1]=4 1966 B11R0.320 C[C@@H](CO)CSCC(C)(C)CO 62a_100009813988_100000059175 [1,1,0,0,0,0|1,0,1]=4 1967 B11R0.170 C=CC[C@@H](C)OCC(C)(C)CO 34a_100000731007_100009813988 [0,1,0,0,1,0|2,0,0]=4 1968 B11R0.170 C=CC[C@@H](C)OCC(C)(C)CO 7a_100000731007_100009813988 [0,1,0,0,1,0|2,0,0]=4 1969 B11R0.170 C=CC[C@@H](C)OCC(C)(C)OC 34a_100000731007_100000701081 [0,1,0,0,1,0|2,0,0]=4 1970 B11R0.250 C=CCC(C)(C)OCC(C)(C)O 7a_100011995686_100000764493 [0,1,0,0,1,0|2,0,0]=4 1971 B11R0.337 C=C(C)CN(C)CCC(C)(C)O 2230a_100000225649_100000702414 [0,1,0,0,1,0|2,0,0]=4 1972 B11R0.337 CC(=O)OC(C)SCC(C)(C)O 62a_100000764493_100009818208 [0,1,0,0,1,0|2,0,0]=4 1973 B11R0.337 CC(=O)OC(C)SCC(C)(C)O 62a_100009818208_100000764493 [0,1,0,0,1,0|2,0,0]=4 1974 B11R0.337 CN(CCC(C)(C)C)CC(=O)N 2230a_100000739694_100000755188 [0,1,0,0,1,0|2,0,0]=4 1975 B11R0.337 CN(CCC(C)(C)C)CC(=O)O 269956a_100000746989_100000755188 [0,1,0,0,1,0|2,0,0]=4 1976 B11R0.337 CN(CCC(C)(C)O)CC(=O)N 2230a_100000739694_100000702414 [0,1,0,0,1,0|1,0,0]=3 1977 B11R0.337 CN(CCC(C)(C)O)CC(=O)O 269956a_100000746989_100000702414 [0,1,0,0,1,0|1,0,0]=3 1978 B13R0.79 CC(=CC(C)OCCCC(C)(C)O)C 34a_100000717055_100009888830 [0,1,0,0,0,1|1,0,1]=4 1979 B13R0.79 CC(=O)OC(C)SCCCC(C)(C)O 62a_100009818208_100009888830 [0,1,0,0,0,1|1,0,0]=3 1980 B13R0.79 CC(=O)OC(C)SCCCC(C)(C)O 62a_100009888830_100009818208 [0,1,0,0,0,1|1,0,0]=3 1981 B13R0.79 CC(C)(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000755188 [0,1,0,0,0,1|2,0,0]=4 1982 B13R0.79 CC(C)(O)CCNCC(O)CC(=O)O 269956a_100011218706_100000702414 [0,1,0,0,0,1|1,0,0]=3 1983 B13R0.79 CC(C)CC(C)NCCCC(C)(C)O 2230a_100000692259_100009888830 [0,1,0,0,0,1|1,0,1]=4 1984 B13R0.79 CC(C)CC(C)OCCCC(C)(C)O 34a_100000211805_100009888830 [0,1,0,0,0,1|1,0,1]=4 1985 B13R0.79 CC(C)CC(C)OCCCC(C)(C)O 7a_100000211805_100009888830 [0,1,0,0,0,1|1,0,1]=4 1986 B13R0.79 CC(C)CC(C)SCCCC(C)(C)O 62a_100000731052_100009888830 [0,1,0,0,0,1|1,0,1]=4 1987 B13R0.79 CC(C)CC(C)SCCCC(C)(C)O 62a_100009888830_100000731052 [0,1,0,0,0,1|1,0,1]=4 1988 B13R0.79 CC(CN(C)C)SCCCC(C)(C)O 62a_100009888830_100020606517 [0,1,0,0,0,1|2,0,0]=4 1989 B13R0.79 CC(CN(C)C)SCCCC(C)(C)O 62a_100020606517_100009888830 [0,1,0,0,0,1|2,0,0]=4 1990 B13R0.79 CC(CSCCC(C)(C)O)CN(C)C 62a_100000702414_100015348159 [0,1,0,0,0,1|2,0,0]=4 1991 B13R0.79 CC(CSCCC(C)(C)O)CN(C)C 62a_100015348159_100000702414 [0,1,0,0,0,1|2,0,0]=4 1992 B13R0.104 C=C[C@@H](C)[C@@H](C)OCCCC(C)(C)O 34a_100015455354_100009888830 [0,1,0,0,0,1|1,0,0]=3 1993 B13R0.104 C=C[C@@H](C)[C@@H](C)OCCCC(C)(C)O 7a_100015455354_100009888830 [0,1,0,0,0,1|1,0,0]=3 1994 B13R0.104 CCC(C)C(C)OCCCC(C)(C)O 7a_100011215189_100009888830 [0,1,0,0,0,1|1,0,1]=4 1995 B13R0.124 C#CCOC(C)COCCC(C)(C)O 34a_200000093152_100000702414 [0,1,0,0,0,1|1,0,1]=4 1996 B13R0.124 C#CCOC(C)COCCC(C)(C)O 7a_200000093152_100000702414 [0,1,0,0,0,1|1,0,1]=4 1997 B13R0.124 C=CCCC(C)OCCCC(C)(C)O 34a_100000765329_100009888830 [0,1,0,0,0,1|1,0,0]=3 1998 B13R0.124 C=CCCC(C)OCCCC(C)(C)O 7a_100000765329_100009888830 [0,1,0,0,0,1|1,0,0]=3 1999 B13R0.124 CC(CCCCl)OCCCC(C)(C)O 34a_200000718107_100009888830 [0,1,0,0,0,1|1,0,1]=4 2000 B13R0.124 CC(CCCCl)OCCCC(C)(C)O 7a_200000718107_100009888830 [0,1,0,0,0,1|1,0,1]=4 2001 B13R0.124 CCCCC(C)COCCC(C)(C)O 34a_100011995851_100000702414 [0,1,0,0,0,1|1,0,1]=4 2002 B13R0.124 CCCCC(C)COCCC(C)(C)O 7a_100011995851_100000702414 [0,1,0,0,0,1|1,0,1]=4 2003 B13R0.124 CCCCC(C)NCCCC(C)(C)O 2230a_100000126638_100009888830 [0,1,0,0,0,1|1,0,1]=4 2004 B13R0.124 CCCCC(C)OCCCC(C)(C)O 34a_100000687866_100009888830 [0,1,0,0,0,1|1,0,1]=4 2005 B13R0.124 CCCCC(C)OCCCC(C)(C)O 7a_100000687866_100009888830 [0,1,0,0,0,1|1,0,1]=4 2006 B13R0.124 CCCCC(C)SCCCC(C)(C)O 62a_100009888830_200011215066 [0,1,0,0,0,1|1,0,1]=4 2007 B13R0.124 CCCCC(C)SCCCC(C)(C)O 62a_200011215066_100009888830 [0,1,0,0,0,1|1,0,1]=4 2008 B13R0.124 CCCOC(C)CNCCC(C)(C)O 2230a_100015185124_100000702414 [0,1,0,0,0,1|1,0,1]=4 2009 B13R0.124 CCCOC(C)CNCCC(C)(C)O 34a_100015185124_100000702414 [0,1,0,0,0,1|1,0,1]=4 2010 B13R0.124 CCOCC(C)OCCCC(C)(C)O 34a_100000718985_100009888830 [0,1,0,0,0,1|1,0,1]=4 2011 B13R0.124 CCOCC(C)OCCCC(C)(C)O 7a_100000718985_100009888830 [0,1,0,0,0,1|1,0,1]=4 2012 B13R0.124 COCO[C@H](C)COCCC(C)(C)O 34a_100016172286_100000702414 [0,1,0,0,0,1|2,0,0]=4 2013 B13R0.124 COCO[C@H](C)COCCC(C)(C)O 7a_100016172286_100000702414 [0,1,0,0,0,1|2,0,0]=4 2014 B13R0.124 C[C@H](CCCO)CNCCC(C)(C)O 2230a_100160569302_100000702414 [0,1,0,0,0,1|0,0,2]=4 2015 B13R0.124 C[C@H](CCCO)CNCCC(C)(C)O 34a_100160569302_100000702414 [0,1,0,0,0,1|0,0,2]=4 2016 B13R0.234 C=CCC(C)(C)OCCCC(C)(C)O 7a_100011995686_100009888830 [0,1,0,0,0,1|1,0,0]=3 2017 B13R0.234 C=CC[Si](C)(C)CSCCC(C)(C)O 62a_100000046978_100000702414 [0,1,0,0,0,1|1,1,0]=4 2018 B13R0.234 C=CC[Si](C)(C)CSCCC(C)(C)O 62a_100000702414_100000046978 [0,1,0,0,0,1|1,1,0]=4 2019 B13R0.234 CC(C)(O)CCCOC(C)(C)CCBr 7a_100000702414_100009888830 [0,1,0,0,0,1|1,0,1]=4 2020 B13R0.234 CCCC(C)(C)COCCC(C)(C)O 7a_100011995695_100000702414 [0,1,0,0,0,1|1,0,1]=4 2021 B13R0.234 CCCC(C)(C)OCCCC(C)(C)O 7a_100000748436_100009888830 [0,1,0,0,0,1|1,0,1]=4 2022 B13R0.234 COCC(C)(C)CNCCC(C)(C)O 2230a_100000734190_100000702414 [0,1,0,0,0,1|2,0,0]=4 2023 B13R0.234 COCC(C)(C)NCCCC(C)(C)O 2230a_100000752728_100009888830 [0,1,0,0,0,1|2,0,0]=4 2024 B13R0.234 CSCC(C)(C)NCCCC(C)(C)O 2230a_100000759623_100009888830 [0,1,0,0,0,1|2,0,0]=4 2025 B13R0.234 CSCC(C)(C)NCCCC(C)(C)O 7a_100000759623_100009888830 [0,1,0,0,0,1|2,0,0]=4 2026 B13R0.268 C=CCC(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100011216819 [0,1,0,0,0,1|1,0,1]=4 2027 B13R0.268 C=CCC(C)C(=O)NCCC(C)(C)O 527a_100000707701_100011216819 [0,1,0,0,0,1|1,0,1]=4 2028 B13R0.268 CC(CCO)N(C)CCCC(C)(C)O 2230a_100000731037_100009888830 [0,1,0,0,0,1|0,0,2]=4 2029 B13R0.268 CC(CCO)N(C)CCCC(C)(C)O 269982a_100000731037_100009888830 [0,1,0,0,0,1|0,0,2]=4 2030 B13R0.268 CCCC(C)C(C)NCCC(C)(C)O 270004a_100000707701_100011216282 [0,1,0,0,0,1|1,0,1]=4 2031 B13R0.268 CCCC(C)C(C)OCCC(C)(C)O 34a_100000708338_100000702414 [0,1,0,0,0,1|1,0,1]=4 2032 B13R0.268 CCCC(C)C(C)OCCC(C)(C)O 7a_100000708338_100000702414 [0,1,0,0,0,1|1,0,1]=4 2033 B13R0.316 C#CCC(CC)OCCCC(C)(C)O 34a_200011217983_100009888830 [0,1,0,0,0,1|1,0,1]=4 2034 B13R0.316 C#CCC(CC)OCCCC(C)(C)O 7a_200011217983_100009888830 [0,1,0,0,0,1|1,0,1]=4 2035 B13R0.316 C=CCC(C=C)OCCCC(C)(C)O 34a_100000038011_100009888830 [0,1,0,0,0,1|1,0,1]=4 2036 B13R0.316 C=CCC(C=C)OCCCC(C)(C)O 7a_100000038011_100009888830 [0,1,0,0,0,1|1,0,1]=4 2037 B13R0.316 C=CC[C@H](CO)NCCCC(C)(C)O 2230a_100020615467_100009888830 [0,1,0,0,0,1|1,0,0]=3 2038 B13R0.316 CCC(COC)NCCCC(C)(C)O 2230a_100000757820_100009888830 [0,1,0,0,0,1|2,0,0]=4 2039 B13R0.316 CCC(COC)OCCCC(C)(C)O 7a_200011214946_100009888830 [0,1,0,0,0,1|2,0,0]=4 2040 B13R0.316 CCCC(CC)NCCCC(C)(C)O 2230a_100000747048_100009888830 [0,1,0,0,0,1|1,0,1]=4 2041 B13R0.316 CCCC(CC)OCCCC(C)(C)O 34a_100000687864_100009888830 [0,1,0,0,0,1|1,0,1]=4 2042 B13R0.316 CCCC(CC)OCCCC(C)(C)O 7a_100000687864_100009888830 [0,1,0,0,0,1|1,0,1]=4 2043 B13R0.316 CCCC(CC)SCCCC(C)(C)O 62a_100009888830_100011219200 [0,1,0,0,0,1|1,0,1]=4 2044 B13R0.316 CCCC(CC)SCCCC(C)(C)O 62a_100011219200_100009888830 [0,1,0,0,0,1|1,0,1]=4 2045 B13R0.316 CCCC(CCOCC(C)(C)O)SC 34a_100000032865_100000764493 [0,1,0,0,0,1|1,0,1]=4 2046 B13R0.316 CCCC(CCOCC(C)(C)O)SC 7a_100000032865_100000764493 [0,1,0,0,0,1|1,0,1]=4 2047 B13R0.316 CCC[C@@H](CO)NCCCC(C)(C)O 2230a_100000732646_100009888830 [0,1,0,0,0,1|1,0,1]=4 2048 B13R0.316 CCC[C@@H](CO)NCCCC(C)(C)O 34a_100000732646_100009888830 [0,1,0,0,0,1|1,0,1]=4 2049 B13R0.316 CC[C@H](CC#N)NCCCC(C)(C)O 2230a_200009818565_100009888830 [0,1,0,0,0,1|1,0,1]=4 2050 B13R0.316 COCC(CCl)OCCCC(C)(C)O 34a_100011215053_100009888830 [0,1,0,0,0,1|2,0,0]=4 2051 B13R0.316 COCC(CN)OCCCC(C)(C)O 34a_100000756049_100009888830 [0,1,0,0,0,1|2,0,0]=4 2052 B13R0.316 COCC(CO)NCCCC(C)(C)O 2230a_100000724102_100009888830 [0,1,0,0,0,1|2,0,0]=4 2053 B13R0.316 COCC(CO)NCCCC(C)(C)O 34a_100000724102_100009888830 [0,1,0,0,0,1|2,0,0]=4 2054 B13R0.358 CCCC(C)CNC[C@@H](F)C(C)(C)O 270004a_100015379105_100000243154 [0,1,0,0,0,1|1,0,1]=4 2055 B13R0.423 C=CC[C@@H](C)OCCCC(C)(C)C#N 34a_100000731007_100000759902 [0,1,0,0,0,1|2,0,0]=4 2056 B13R0.423 C=CC[C@@H](C)OCCCC(C)(C)C#N 7a_100000731007_100000759902 [0,1,0,0,0,1|2,0,0]=4 2057 B13R0.423 CC(CC#N)NCCCC(C)(C)CO 2230a_100000039164_100009813641 [0,1,0,0,0,1|1,0,1]=4 2058 B13R0.423 CC(CCO)NCCCC(C)(C)CO 2230a_100000039164_100009893172 [0,1,0,0,0,1|0,0,2]=4 2059 B13R0.423 CCCC(C)CCOCC(C)(C)CO 34a_100011217855_100009813988 [0,1,0,0,0,1|1,0,1]=4 2060 B13R0.423 CCCC(C)CCOCC(C)(C)CO 7a_100011217855_100009813988 [0,1,0,0,0,1|1,0,1]=4 2061 B13R0.423 CCCC(C)CCOCC(C)(C)OC 34a_100011217855_100000701081 [0,1,0,0,0,1|1,0,1]=4 2062 B13R0.423 CCCC(C)COCCC(C)(C)OC 7a_100000699976_100011216630 [0,1,0,0,0,1|1,0,1]=4 2063 B13R0.423 CCCC(C)NCCCC(C)(C)CO 2230a_100000039164_100000766640 [0,1,0,0,0,1|1,0,1]=4 2064 B13R0.423 CCCC(C)NCCCC(C)(C)CO 270004a_100000039164_100000211909 [0,1,0,0,0,1|1,0,1]=4 2065 B13R0.423 COCC(C)NCCCC(C)(C)CO 2230a_100000039164_100000765312 [0,1,0,0,0,1|2,0,0]=4 2066 B13R0.423 COCC(C)NCCCC(C)(C)CO 270004a_100000039164_100000749346 [0,1,0,0,0,1|2,0,0]=4 2067 B13R0.423 CSCC(C)NCCCC(C)(C)CO 270004a_100000039164_100011216314 [0,1,0,0,0,1|2,0,0]=4 2068 B13R0.167 C=CCCC(C)NC[C@@H](F)C(C)(C)O 270004a_100015379105_100000762624 [0,2,0,0,0,0|2,0,0]=4 2069 B13R0.75 CNC(=O)CN(C)CCCC(C)(C)O 2230a_100000189611_100009888830 [0,2,0,0,0,0|1,0,0]=3 2070 B13R0.75 COC(=O)CC(C)NCCC(C)(C)C 2230a_100000738805_100009817358 [0,2,0,0,0,0|2,0,0]=4 2071 B13R0.75 COC(=O)CC(C)NCCC(C)(C)F 2230a_100016253952_100009817358 [0,2,0,0,0,0|2,0,0]=4 2072 B13R0.75 COC(=O)CC(C)OCCC(C)(C)C 7a_100000765024_100009817358 [0,2,0,0,0,0|2,0,0]=4 2073 B13R0.75 COC(=O)CC(C)SCCC(C)(C)C 62a_100000755188_100009817358 [0,2,0,0,0,0|2,0,0]=4 2074 B13R0.75 COC(=O)CC(C)SCCC(C)(C)C 62a_100009817358_100000755188 [0,2,0,0,0,0|2,0,0]=4 2075 B13R0.75 COC(=O)CC(C)SCCC(C)(C)O 62a_100000702414_100009817358 [0,2,0,0,0,0|1,0,0]=3 2076 B13R0.75 COC(=O)CC(C)SCCC(C)(C)O 62a_100009817358_100000702414 [0,2,0,0,0,0|1,0,0]=3 2077 B13R0.75 COC(=O)CN(C)CCCC(C)(C)O 2230a_100000198492_100009888830 [0,2,0,0,0,0|1,0,0]=3 2078 B13R0.75 COC(=O)C[C@@H](O)CSCC(C)(C)O 62a_100000754131_100000764493 [0,2,0,0,0,0|2,0,0]=4 2079 B13R0.75 COC(=O)C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100000754131 [0,2,0,0,0,0|2,0,0]=4 2080 B13R0.290 CC(C)(CO)CNCC(O)CC(=O)O 269956a_100011218706_100009813988 [0,2,0,0,0,0|2,0,0]=4 2081 B13R0.290 CN(CCCC(C)(C)C#N)CC(=O)N 2230a_100000739694_100000759902 [0,2,0,0,0,0|2,0,0]=4 2082 B13R0.290 CN(CCCC(C)(C)C#N)CC(=O)O 269956a_100000746989_100000759902 [0,2,0,0,0,0|2,0,0]=4 2083 B13R0.290 COC(C)(C)CNCC(O)CC(=O)O 269956a_100011218706_100000701081 [0,2,0,0,0,0|2,0,0]=4 2084 B13R0.486 CC(=O)CC(C)(C)OCCC(C)(C)C 7a_100000210262_100000755188 [0,2,0,0,0,0|2,0,0]=4 2085 B13R0.486 CC(=O)CC(C)(C)OCCC(C)(C)O 7a_100000210262_100000702414 [0,2,0,0,0,0|1,0,0]=3 2086 B13R0.486 CC(C)(C)CCNC(C)(C)CC(=O)N 2230a_100000763158_100000755188 [0,2,0,0,0,0|2,0,0]=4 2087 B13R0.486 CC(C)(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000755188 [0,2,0,0,0,0|2,0,0]=4 2088 B13R0.486 CC(C)(O)CCNC(C)(C)CC(=O)N 2230a_100000763158_100000702414 [0,2,0,0,0,0|1,0,0]=3 2089 B13R0.486 CC(C)(O)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000702414 [0,2,0,0,0,0|1,0,0]=3 2090 B13R0.1235 CC(C(=O)O)N(C)CCCC(C)(C)O 269956a_100000749554_100009888830 [0,2,0,0,0,0|1,0,0]=3 2091 B13R0.1235 CC(OCCC(C)(C)O)C(C)[N+](=O)[O-] 34a_200000034949_100000702414 [0,2,0,0,0,0|2,0,0]=4 2092 B13R0.1235 CC(OCCC(C)(C)O)C(C)[N+](=O)[O-] 7a_200000034949_100000702414 [0,2,0,0,0,0|2,0,0]=4 2093 B13R0.1235 C[C@@H](OCCC(C)(C)C)[C@H](N)C(=O)N 34a_100000003557_100000755188 [0,2,0,0,0,0|2,0,0]=4 2094 B13R0.1235 C[C@@H](OCCC(C)(C)O)[C@H](N)C(=O)N 34a_100000003557_100000702414 [0,2,0,0,0,0|1,0,0]=3 2095 B13R0.1865 C=C(C)CN(CC)CCCC(C)(C)O 2230a_100000211296_100009888830 [0,2,0,0,0,0|2,0,0]=4 2096 B13R0.1865 C=C(C)CN(CC)CCCC(C)(C)O 269982a_100000211296_100009888830 [0,2,0,0,0,0|2,0,0]=4 2097 B13R0.1865 CC(C)(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000755188 [0,2,0,0,0,0|2,0,0]=4 2098 B13R0.1865 CC(C)(O)CCCN(CO)CC(=O)[O-] 269956a_100016989150_100009888830 [0,2,0,0,0,0|1,0,0]=3 2099 B13R0.1865 CC(C)(O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000702414 [0,2,0,0,0,0|1,0,0]=3 2100 B13R0.1865 CCN(CCCC(C)(C)O)CC(=O)O 269956a_100000746405_100009888830 [0,2,0,0,0,0|1,0,0]=3 2101 B13R0.1865 CC[C@H](CC(=O)O)NCCC(C)(C)C 269956a_100016995926_100000755188 [0,2,0,0,0,0|2,0,0]=4 2102 B13R0.1865 CC[C@H](CC(=O)O)NCCC(C)(C)O 269956a_100016995926_100000702414 [0,2,0,0,0,0|1,0,0]=3 2103 B13R0.351 C=C(C)CCC(C)NCCC(C)(C)O 270004a_100000707701_100011215600 [0,2,0,0,0,0|2,0,0]=4 2104 B13R0.351 CC(=O)OCC(C)NCCC(C)(C)C 270004a_100000738805_100000000629 [0,2,0,0,0,0|2,0,0]=4 2105 B13R0.351 CC(=O)OCC(C)NCCC(C)(C)F 270004a_100016253952_100000000629 [0,2,0,0,0,0|2,0,0]=4 2106 B13R0.351 CC(=O)OCC(C)NCCC(C)(C)O 270004a_100000707701_100000000629 [0,2,0,0,0,0|1,0,0]=3 2107 B13R0.351 CC(=O)OCC(O)CSCC(C)(C)O 62a_100000764493_200000139349 [0,2,0,0,0,0|2,0,0]=4 2108 B13R0.351 CC(=O)OCC(O)CSCC(C)(C)O 62a_200000139349_100000764493 [0,2,0,0,0,0|2,0,0]=4 2109 B13R0.351 CC(=O)SCC(C)CNCC(C)(C)C 2230a_100000743828_200000116872 [0,2,0,0,0,0|2,0,0]=4 2110 B13R0.351 CC(=O)SCC(C)CNCC(C)(C)F 2230a_100020643315_200000116872 [0,2,0,0,0,0|2,0,0]=4 2111 B13R0.351 CC(=O)SCC(C)CNCC(C)(C)O 2230a_100000751335_200000116872 [0,2,0,0,0,0|1,0,0]=3 2112 B13R0.351 CC(=O)SCC(C)COCC(C)(C)F 34a_100000716592_200000116872 [0,2,0,0,0,0|2,0,0]=4 2113 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)C 62a_100011219605_200000116872 [0,2,0,0,0,0|2,0,0]=4 2114 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)C 62a_200000116872_100011219605 [0,2,0,0,0,0|2,0,0]=4 2115 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)F 62a_100011997219_200000116872 [0,2,0,0,0,0|2,0,0]=4 2116 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)F 62a_200000116872_100011997219 [0,2,0,0,0,0|2,0,0]=4 2117 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)O 62a_100000764493_200000116872 [0,2,0,0,0,0|1,0,0]=3 2118 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)O 62a_200000116872_100000764493 [0,2,0,0,0,0|1,0,0]=3 2119 B13R0.351 CN(CCCC(C)(C)O)CCC(=O)N 2230a_100000730477_100009888830 [0,2,0,0,0,0|1,0,0]=3 2120 B13R0.1474 C=CCC(C)(CC)OCCC(C)(C)O 7a_200011216962_100000702414 [0,2,0,0,0,0|2,0,0]=4 2121 B13R0.223 C#CCN(CC=C)CCCC(C)(C)O 2230a_100000731024_100009888830 [0,2,0,0,0,0|2,0,0]=4 2122 B13R0.223 C#CCN(CC=C)CCCC(C)(C)O 34a_100000731024_100009888830 [0,2,0,0,0,0|2,0,0]=4 2123 B13R0.223 C=CCC(CC=C)OCCC(C)(C)O 7a_100011215198_100000702414 [0,2,0,0,0,0|2,0,0]=4 2124 B13R0.223 C=CCC(CCC)OCCC(C)(C)O 34a_100011215139_100000702414 [0,2,0,0,0,0|2,0,0]=4 2125 B13R0.223 C=CCC(CCC)OCCC(C)(C)O 7a_100011215139_100000702414 [0,2,0,0,0,0|2,0,0]=4 2126 B13R0.223 C=CCN(CC=C)CCCC(C)(C)O 2230a_100000210471_100009888830 [0,2,0,0,0,0|2,0,0]=4 2127 B13R0.223 C=CCN(CC=C)CCCC(C)(C)O 269982a_100000210471_100009888830 [0,2,0,0,0,0|2,0,0]=4 2128 B13R0.690 C=CCC(OCCC(C)(C)O)C(C)C 34a_200011216146_100000702414 [0,2,0,0,0,0|2,0,0]=4 2129 B13R0.690 C=CCC(OCCC(C)(C)O)C(C)C 7a_200011216146_100000702414 [0,2,0,0,0,0|2,0,0]=4 2130 B13R0.690 C=CCN(CCCC(C)(C)O)C(C)C 2230a_100000742772_100009888830 [0,2,0,0,0,0|2,0,0]=4 2131 B13R0.690 C=CCN(CCCC(C)(C)O)C(C)C 269982a_100000742772_100009888830 [0,2,0,0,0,0|2,0,0]=4 2132 B13R0.1524 C=CCC(C)COCC(C)(OC)OC 34a_100009832082_100000766008 [0,2,0,0,0,0|2,0,0]=4 2133 B11R1.15 C=CCN(C)C1CCC(C1)C 270004a_100000225617_100011215218 [1,0,0,1,0,0|2,0,0]=4 2134 B11R1.15 C=CCN(C)C1CCC(C1)O 270004a_100000225617_100012614533 [1,0,0,1,0,0|2,0,0]=4 2135 B11R1.15 CN1CCC(C1)N(C)CC=O 2230a_103436538152_200015260668 [1,0,0,1,0,0|2,0,0]=4 2136 B11R1.15 CN1CCC(C1)N(C)CC=O 269982a_103436538152_200015260668 [1,0,0,1,0,0|2,0,0]=4 2137 B11R1.120 C=CCN1CC(C1)CC(C)C 2230a_214813039686_100000210623 [1,0,0,1,0,0|2,0,0]=4 2138 B11R1.120 C=CCN1CC(C1)CC(C)C 269982a_214813039686_100000210623 [1,0,0,1,0,0|2,0,0]=4 2139 B11R1.120 C=CCN1CC(C1)CC(C)C 34a_214813039686_100015514636 [1,0,0,1,0,0|2,0,0]=4 2140 B11R1.120 CC(C)CC1CN(C1)CC=O 2230a_214813039686_200015260668 [1,0,0,1,0,0|1,0,0]=3 2141 B11R1.120 CC(C)CC1CN(C1)CC=O 269982a_214813039686_200015260668 [1,0,0,1,0,0|1,0,0]=3 2142 B11R1.120 CC(C)CC1CN(C1)CC=O 34a_214813039686_200009817547 [1,0,0,1,0,0|1,0,0]=3 2143 B11R1.120 CC(C)OC1CN(C1)CC=O 2230a_100000698322_200015260668 [1,0,0,1,0,0|2,0,0]=4 2144 B11R1.120 CC(C)OC1CN(C1)CC=O 269982a_100000698322_200015260668 [1,0,0,1,0,0|2,0,0]=4 2145 B11R1.120 CC(C)OC1CN(C1)CC=O 34a_100000698322_200009817547 [1,0,0,1,0,0|2,0,0]=4 2146 B11R1.120 CN(C)CC1CN(C1)CC=O 269982a_100015199603_200015260668 [1,0,0,1,0,0|2,0,0]=4 2147 B11R1.124 CN(C)[C@H]1CCN(C1)CC=O 2230a_100016988096_200015260668 [1,0,0,1,0,0|2,0,0]=4 2148 B11R1.124 CN(C)[C@H]1CCN(C1)CC=O 269982a_100016988096_200015260668 [1,0,0,1,0,0|2,0,0]=4 2149 B11R1.135 C=CCN1CCCC(CC1)C 2230a_100025706717_100000210623 [1,0,0,1,0,0|2,0,0]=4 2150 B11R1.135 C=CCN1CCCC(CC1)C 269982a_100025706717_100000210623 [1,0,0,1,0,0|2,0,0]=4 2151 B11R1.135 C=CCN1CCCC(CC1)C 34a_100025706717_100015514636 [1,0,0,1,0,0|2,0,0]=4 2152 B11R1.135 C=CCN1CCCC(CC1)O 2230a_100015186869_100000210623 [1,0,0,1,0,0|2,0,0]=4 2153 B11R1.135 C=CCN1CCCC(CC1)O 269982a_100015186869_100000210623 [1,0,0,1,0,0|2,0,0]=4 2154 B11R1.135 CC1CCCN(CC1)CC=O 2230a_100025706717_200015260668 [1,0,0,1,0,0|1,0,0]=3 2155 B11R1.135 CC1CCCN(CC1)CC=O 269982a_100025706717_200015260668 [1,0,0,1,0,0|1,0,0]=3 2156 B11R1.135 CC1CCCN(CC1)CC=O 34a_100025706717_200009817547 [1,0,0,1,0,0|1,0,0]=3 2157 B11R1.135 CN1CCCN(CC1)CC=O 2230a_100000211313_200015260668 [1,0,0,1,0,0|2,0,0]=4 2158 B11R1.135 CN1CCCN(CC1)CC=O 269982a_100000211313_200015260668 [1,0,0,1,0,0|2,0,0]=4 2159 B11R1.135 O=CCN1CCCC(CC1)O 2230a_100015186869_200015260668 [1,0,0,1,0,0|1,0,0]=3 2160 B11R1.135 O=CCN1CCCC(CC1)O 269982a_100015186869_200015260668 [1,0,0,1,0,0|1,0,0]=3 2161 B11R1.154 C=C1CC(C1)CNCC(C)C 2230a_100102567296_100000210760 [1,0,0,1,0,0|2,0,0]=4 2162 B11R1.154 C=C1CC(C1)CNCC(C)C 270004a_100102567296_100000210432 [1,0,0,1,0,0|2,0,0]=4 2163 B11R1.154 C=C1CC(C1)CNCC(C)C 34a_100102567296_100000210624 [1,0,0,1,0,0|2,0,0]=4 2164 B11R1.154 C=C1CC(C1)CNCC(C)O 2230a_100102567296_100011218427 [1,0,0,1,0,0|2,0,0]=4 2165 B11R1.154 C=C1CC(C1)CNCC(C)O 34a_100102567296_100011218427 [1,0,0,1,0,0|2,0,0]=4 2166 B11R1.154 C=C1CC(C1)CNC[C@@H](C)O 2230a_100102567296_100009817552 [1,0,0,1,0,0|2,0,0]=4 2167 B11R1.154 C=C1CC(C1)CNC[C@@H](C)O 34a_100102567296_100009817552 [1,0,0,1,0,0|2,0,0]=4 2168 B11R1.154 C=C1CC(C1)COCC(C)C 34a_100011011225_100000210624 [1,0,0,1,0,0|2,0,0]=4 2169 B11R1.154 C=C1CC(C1)COCC(C)O 34a_100011011225_100011218427 [1,0,0,1,0,0|2,0,0]=4 2170 B11R1.154 C=C1CC(C1)COC[C@@H](C)O 34a_100011011225_100009817552 [1,0,0,1,0,0|2,0,0]=4 2171 B11R1.154 C=C1CC(C1)NCCC(C)C 2230a_100132301982_100000210312 [1,0,0,1,0,0|2,0,0]=4 2172 B11R1.154 C=C1CC(C1)NCCC(C)C 269862a_100132301982_100000185833 [1,0,0,1,0,0|2,0,0]=4 2173 B11R1.154 C=C1CC(C1)NCCC(C)O 2230a_100132301982_100012276601 [1,0,0,1,0,0|2,0,0]=4 2174 B11R1.154 CC(C)CCSC1CC(=O)C1 62a_100009894365_100000210312 [1,0,0,1,0,0|1,0,0]=3 2175 B11R1.154 CC(C)CNCC1CC(=O)C1 2230a_100000210953_100009874392 [1,0,0,1,0,0|1,0,0]=3 2176 B11R1.154 CC(C)COCC1CC(=O)C1 34a_100000101936_100000210624 [1,0,0,1,0,0|1,0,0]=3 2177 B11R1.154 CC(C)CSCC1CC(=O)C1 62a_100000210624_100009874392 [1,0,0,1,0,0|1,0,0]=3 2178 B11R1.154 CC(C)CSCC1CC(=O)C1 62a_100009874392_100000210760 [1,0,0,1,0,0|1,0,0]=3 2179 B11R1.154 CC(C)OCSC1CC(=O)C1 62a_100009894365_100000709892 [1,0,0,1,0,0|2,0,0]=4 2180 B11R1.154 CC(O)CCSC1CC(=O)C1 62a_100009894365_100012276601 [1,0,0,1,0,0|1,0,0]=3 2181 B11R1.154 CC(O)CNCC1CC(=O)C1 2230a_100000210904_100009874392 [1,0,0,1,0,0|1,0,0]=3 2182 B11R1.154 CC(O)COCC1CC(=O)C1 34a_100000101936_100011218427 [1,0,0,1,0,0|1,0,0]=3 2183 B11R1.154 CC(O)CSCC1CC(=O)C1 62a_100009874392_100011218427 [1,0,0,1,0,0|1,0,0]=3 2184 B11R1.154 CC(O)CSCC1CC(=O)C1 62a_100011218427_100009874392 [1,0,0,1,0,0|1,0,0]=3 2185 B11R1.154 CN(C)CCSC1CC(=O)C1 62a_100009894365_100000755713 [1,0,0,1,0,0|2,0,0]=4 2186 B11R1.154 C[C@@H](O)COCC1CC(=O)C1 34a_100000101936_100009817552 [1,0,0,1,0,0|1,0,0]=3 2187 B11R1.154 C[C@@H](O)CSCC1CC(=O)C1 62a_100009817552_100009874392 [1,0,0,1,0,0|1,0,0]=3 2188 B11R1.154 C[C@@H](O)CSCC1CC(=O)C1 62a_100009874392_100009817552 [1,0,0,1,0,0|1,0,0]=3 2189 B11R1.166 CC(C)N1CCN(CC1=O)C 2230a_100000698735_200000210301 [1,0,0,1,0,0|2,0,0]=4 2190 B11R1.166 CC(C)N1CCN(CC1=O)C 269982a_100000698735_200000210301 [1,0,0,1,0,0|2,0,0]=4 2191 B11R1.166 CC(C)N1CCN(CC1=O)C 34a_100000698735_200000210301 [1,0,0,1,0,0|2,0,0]=4 2192 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 2230a_100000698735_200025704644 [1,0,0,1,0,0|2,0,0]=4 2193 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 269982a_100000698735_200025704644 [1,0,0,1,0,0|2,0,0]=4 2194 B11R1.166 CC(C)N1CCN(CC1=O)[13CH3] 34a_100000698735_200025704644 [1,0,0,1,0,0|2,0,0]=4 2195 B11R1.172 CC(C)CCCN1CC=CC1 269982a_100015195280_100011214892 [1,0,0,1,0,0|2,0,0]=4 2196 B11R1.172 CC(C)CCNC1CC=CC1 2230a_100015188752_100000210312 [1,0,0,1,0,0|2,0,0]=4 2197 B11R1.172 CC(C)CCNC1CC=CC1 269862a_100015188752_100000185833 [1,0,0,1,0,0|2,0,0]=4 2198 B11R1.172 CC(C)COCC1CC=CC1 34a_100000688395_100000210624 [1,0,0,1,0,0|2,0,0]=4 2199 B11R1.172 CC(O)CCCN1CC=CC1 269982a_100015195280_200000718107 [1,0,0,1,0,0|2,0,0]=4 2200 B11R1.172 CC(O)CCNC1CC=CC1 2230a_100015188752_100012276601 [1,0,0,1,0,0|2,0,0]=4 2201 B11R1.172 CC(O)COCC1CC=CC1 34a_100000688395_100011218427 [1,0,0,1,0,0|2,0,0]=4 2202 B11R1.172 C[C@@H](O)COCC1CC=CC1 34a_100000688395_100009817552 [1,0,0,1,0,0|2,0,0]=4 2203 B11R1.290 C=CCC(C)COCC1CC1 34a_100009832082_100000742324 [1,0,0,1,0,0|2,0,0]=4 2204 B11R1.290 C=CCC(C)COCC1CC1 7a_100009832082_100000742324 [1,0,0,1,0,0|2,0,0]=4 2205 B11R1.290 C=CCC(C)COCC1CO1 34a_100009832082_102125554688 [1,0,0,1,0,0|2,0,0]=4 2206 B11R1.290 C=CCC(C)COCC1CO1 7a_100009832082_102125554688 [1,0,0,1,0,0|2,0,0]=4 2207 B11R1.290 C=CCC(C)COC[C@@H]1CO1 7a_100009832082_100000745022 [1,0,0,1,0,0|2,0,0]=4 2208 B11R1.290 C=CCN(C)CCCC1CO1 2230a_100000225617_100000733510 [1,0,0,1,0,0|2,0,0]=4 2209 B11R1.290 C=CCN(C)CCCC1CO1 269982a_100000225617_100000733510 [1,0,0,1,0,0|2,0,0]=4 2210 B11R1.290 C=CC[C@@H](C)OCCC1CC1 34a_100000731007_100000694398 [1,0,0,1,0,0|2,0,0]=4 2211 B11R1.290 C=CC[C@@H](C)OCCC1CC1 7a_100000731007_100000764125 [1,0,0,1,0,0|2,0,0]=4 2212 B11R1.290 C=CC[C@@H](C)OCCC1CO1 34a_100000731007_100000732470 [1,0,0,1,0,0|2,0,0]=4 2213 B11R1.290 C=CC[C@@H](C)OCCC1CO1 7a_100000731007_100000732470 [1,0,0,1,0,0|2,0,0]=4 2214 B11R1.342 C=CCN1CCCC(C1)(C)C 2230a_100000716857_100000210623 [1,0,0,1,0,0|2,0,0]=4 2215 B11R1.342 C=CCN1CCCC(C1)(C)C 269982a_100000716857_100000210623 [1,0,0,1,0,0|2,0,0]=4 2216 B11R1.342 C=CCN1CCCC(C1)(C)C 34a_100000716857_100015514636 [1,0,0,1,0,0|2,0,0]=4 2217 B11R1.342 C=CCN1CCCC(C1)(C)O 2230a_100000695535_100000210623 [1,0,0,1,0,0|2,0,0]=4 2218 B11R1.342 C=CCN1CCCC(C1)(C)O 269982a_100000695535_100000210623 [1,0,0,1,0,0|2,0,0]=4 2219 B11R1.342 CC1(CCCN(C1)CC=O)C 2230a_100000716857_200015260668 [1,0,0,1,0,0|1,0,0]=3 2220 B11R1.342 CC1(CCCN(C1)CC=O)C 269982a_100000716857_200015260668 [1,0,0,1,0,0|1,0,0]=3 2221 B11R1.342 CC1(CCCN(C1)CC=O)C 34a_100000716857_200009817547 [1,0,0,1,0,0|1,0,0]=3 2222 B11R1.342 CC1(CCCN(C1)CC=O)O 2230a_100000695535_200015260668 [1,0,0,1,0,0|1,0,0]=3 2223 B11R1.342 CC1(CCCN(C1)CC=O)O 269982a_100000695535_200015260668 [1,0,0,1,0,0|1,0,0]=3 2224 B11R1.342 CC1(CN(CCO1)CC=O)C 2230a_100000738910_200015260668 [1,0,0,1,0,0|2,0,0]=4 2225 B11R1.342 CC1(CN(CCO1)CC=O)C 269982a_100000738910_200015260668 [1,0,0,1,0,0|2,0,0]=4 2226 B11R1.342 CC1(CN(CCO1)CC=O)C 34a_100000738910_200009817547 [1,0,0,1,0,0|2,0,0]=4 2227 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [1,0,0,1,0,0|2,0,0]=4 2228 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [1,0,0,1,0,0|2,0,0]=4 2229 B11R1.645 CC(C)OC1CC(OC1=O)C 34a_100000212225_200000216747 [1,0,0,1,0,0|2,0,0]=4 2230 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_100000210206_200000216747 [1,0,0,1,0,0|2,0,0]=4 2231 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_200000216747_100000210206 [1,0,0,1,0,0|2,0,0]=4 2232 B11R1.105 CC(C)(C)NC1CCCC1=O 2230a_100000715429_100000211823 [1,0,0,1,0,0|2,0,0]=4 2233 B11R1.105 CC(C)(C)OC1CCCC1=O 34a_100015890283_100000709159 [1,0,0,1,0,0|2,0,0]=4 2234 B11R1.105 CC(C)(C)OC1CCCC1=O 34a_200000719330_100000210625 [1,0,0,1,0,0|2,0,0]=4 2235 B11R1.105 CC(C)(C)OC1CCCC1=O 7a_100015890283_100000211823 [1,0,0,1,0,0|2,0,0]=4 2236 B11R1.105 CC(C)(C)SC1CCCC1=O 62a_100000211823_100000211941 [1,0,0,1,0,0|2,0,0]=4 2237 B11R1.105 CC(C)(C)SC1CCCC1=O 62a_100000211941_100000211823 [1,0,0,1,0,0|2,0,0]=4 2238 B11R1.160 CC(C)(C)CSC1CCC1=O 62a_100009892977_100011219605 [1,0,0,1,0,0|2,0,0]=4 2239 B11R1.160 CC(C)(C)CSC1CCC1=O 62a_100011219605_100009892977 [1,0,0,1,0,0|2,0,0]=4 2240 B11R1.160 CC(C)(F)COC1CCC1=O 34a_100000716592_100009892977 [1,0,0,1,0,0|2,0,0]=4 2241 B11R1.160 CC(C)(F)CSC1CCC1=O 62a_100009892977_100011997219 [1,0,0,1,0,0|2,0,0]=4 2242 B11R1.160 CC(C)(F)CSC1CCC1=O 62a_100011997219_100009892977 [1,0,0,1,0,0|2,0,0]=4 2243 B11R1.160 CC(C)(O)CSC1CCC1=O 62a_100000764493_100009892977 [1,0,0,1,0,0|1,0,0]=3 2244 B11R1.160 CC(C)(O)CSC1CCC1=O 62a_100009892977_100000764493 [1,0,0,1,0,0|1,0,0]=3 2245 B11R1.213 C=CCCN1CCC(C1)(C)O 2230a_100000718628_100000754431 [1,0,0,1,0,0|2,0,0]=4 2246 B11R1.213 C=CCCN1CCC(C1)(C)O 269982a_100000718628_100000754431 [1,0,0,1,0,0|2,0,0]=4 2247 B11R1.320 C=CCCCNCC1(CC1)O 2230a_100011936951_100011713584 [1,0,0,1,0,0|2,0,0]=4 2248 B11R1.320 C=CCCCNCC1(CO1)C 34a_100000700776_100000760498 [1,0,0,1,0,0|2,0,0]=4 2249 B11R1.320 C=CCCCOCC1(CO1)C 34a_100000758997_100000760498 [1,0,0,1,0,0|2,0,0]=4 2250 B11R1.320 C=CCCCSCC1(CO1)C 62a_100000760498_100000757094 [1,0,0,1,0,0|2,0,0]=4 2251 B11R1.320 C=CCCCSCC1(CO1)C 62a_100011713584_100000760498 [1,0,0,1,0,0|2,0,0]=4 2252 B11R1.320 CC1(CC1)CNCCCC=O 2230a_100000766693_200011292268 [1,0,0,1,0,0|2,0,0]=4 2253 B11R1.320 CC1(CC1)COCCCC=O 7a_100000698024_200011292268 [1,0,0,1,0,0|2,0,0]=4 2254 B11R1.320 CC1(CC1)NCCCCC=O 2230a_100000757604_100000139335 [1,0,0,1,0,0|2,0,0]=4 2255 B11R1.320 CC1(CC1)OCCCCC=O 7a_100011725673_100000139335 [1,0,0,1,0,0|2,0,0]=4 2256 B11R1.320 CC1(CO1)CSCCCC=O 62a_100000760498_200011292268 [1,0,0,1,0,0|1,0,0]=3 2257 B11R1.320 CC1(CO1)CSCCCC=O 62a_200011292268_100000760498 [1,0,0,1,0,0|1,0,0]=3 2258 B11R1.320 O=CCCCNCC1(CC1)O 2230a_100011936951_200011292268 [1,0,0,1,0,0|1,0,0]=3 2259 B11R1.320 O=CCCCOCC1(CC1)F 7a_200000703853_200011292268 [1,0,0,1,0,0|2,0,0]=4 2260 B11R1.758 C=CCCCN1CC(C1)(C)O 2230a_100000718560_100011713584 [1,0,0,1,0,0|2,0,0]=4 2261 B11R1.758 C=CCCCN1CC(C1)(C)O 269982a_100000718560_100000757094 [1,0,0,1,0,0|2,0,0]=4 2262 B11R1.758 C=CCCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000754431 [1,0,0,1,0,0|2,0,0]=4 2263 B11R1.758 C=CCNC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000210623 [1,0,0,1,0,0|2,0,0]=4 2264 B11R1.758 CC1(CN(C1)CCCC=O)C 2230a_100000753659_200011292268 [1,0,0,1,0,0|2,0,0]=4 2265 B11R1.758 CC1(CN(C1)CCCC=O)C 269982a_100000753659_200011292268 [1,0,0,1,0,0|2,0,0]=4 2266 B11R1.758 CC1(CN(C1)CCCC=O)F 2230a_100000696199_200011292268 [1,0,0,1,0,0|2,0,0]=4 2267 B11R1.758 CC1(CN(C1)CCCC=O)F 269982a_100000696199_200011292268 [1,0,0,1,0,0|2,0,0]=4 2268 B11R1.758 CC1(CN(C1)CCCC=O)O 2230a_100000718560_200011292268 [1,0,0,1,0,0|1,0,0]=3 2269 B11R1.758 CC1(CN(C1)CCCC=O)O 269982a_100000718560_200011292268 [1,0,0,1,0,0|1,0,0]=3 2270 B11R1.758 C[C@@]1(C[C@H](C1)CNCC=O)O 2230a_100015257651_200015260668 [1,0,0,1,0,0|1,0,0]=3 2271 B11R1.898 C=CCCOCC1OC1(C)C 34a_200010283642_100000754431 [1,0,0,1,0,0|2,0,0]=4 2272 B11R1.898 C=CCCOCC1OC1(C)C 7a_200010283642_100000754431 [1,0,0,1,0,0|2,0,0]=4 2273 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 2230a_100025784243_200025704644 [1,0,0,1,0,0|1,0,1]=4 2274 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 269982a_100025784243_200025704644 [1,0,0,1,0,0|1,0,1]=4 2275 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 34a_100025784243_200025704644 [1,0,0,1,0,0|1,0,1]=4 2276 B11R1.19 CN1CCC(CC1)C(C)(C)O 2230a_100025784243_200000210301 [1,0,0,1,0,0|1,0,1]=4 2277 B11R1.19 CN1CCC(CC1)C(C)(C)O 269982a_100025784243_200000210301 [1,0,0,1,0,0|1,0,1]=4 2278 B11R1.19 CN1CCC(CC1)C(C)(C)O 34a_100025784243_200000210301 [1,0,0,1,0,0|1,0,1]=4 2279 B11R1.45 CC(C)(O)[C@@H]1CCN(C1)CF 269982a_100132313854_100015361967 [1,0,0,1,0,0|2,0,0]=4 2280 B11R1.45 CC(C)(O)[C@@H]1CCN(C1)CF 34a_100132313854_100015361967 [1,0,0,1,0,0|2,0,0]=4 2281 B11R1.45 CCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000210202 [1,0,0,1,0,0|1,0,1]=4 2282 B11R1.45 CCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000204670 [1,0,0,1,0,0|1,0,1]=4 2283 B11R1.45 CCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100000210202 [1,0,0,1,0,0|1,0,1]=4 2284 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)O 34a_100016987628_100000764493 [1,0,0,1,0,0|1,0,1]=4 2285 B11R1.263 CC(C)(O)CN1CC(C1)CF 34a_100010363649_100000764493 [1,0,0,1,0,0|2,0,0]=4 2286 B11R1.263 CC(C)(O)CN1CC(C1)CO 34a_100016987283_100000764493 [1,0,0,1,0,0|1,0,1]=4 2287 B11R1.522 CC(C)(O)CCNC1(CC1)C 2230a_100000757604_100000702414 [1,0,0,1,0,0|1,0,1]=4 2288 B11R1.522 CC(C)(O)CCOC1(CC1)C 7a_100011725673_100000702414 [1,0,0,1,0,0|1,0,1]=4 2289 B11R1.522 CC(C)(O)COCC1(CC1)C 7a_100000698024_100000764493 [1,0,0,1,0,0|1,0,1]=4 2290 B11R1.522 CC(C)(O)CSCC1(CO1)C 62a_100000760498_100000764493 [1,0,0,1,0,0|1,0,1]=4 2291 B11R1.522 CC(C)(O)CSCC1(CO1)C 62a_100000764493_100000760498 [1,0,0,1,0,0|1,0,1]=4 2292 B11R1.858 CC(CO)OCC1OC1(C)C 34a_200010283642_100012180447 [1,0,0,1,0,0|1,0,1]=4 2293 B11R1.858 CC(CO)OCC1OC1(C)C 7a_200010283642_100012180447 [1,0,0,1,0,0|1,0,1]=4 2294 B11R1.858 CCC(C)OCC1OC1(C)C 34a_200010283642_100011215416 [1,0,0,1,0,0|1,0,1]=4 2295 B11R1.858 CCC(C)OCC1OC1(C)C 7a_200010283642_100000758301 [1,0,0,1,0,0|1,0,1]=4 2296 B11R1.866 C=CC(C)N1CCC(C1)(C)O 269982a_100000718628_100011215867 [1,0,0,1,0,0|1,0,1]=4 2297 B11R1.866 CC(CO)N1CCC(C1)(C)O 2230a_100000718628_100012180447 [1,0,0,1,0,0|1,0,1]=4 2298 B11R1.866 CCC(C)N1CCC(C1)(C)O 2230a_100000718628_100000758301 [1,0,0,1,0,0|1,0,1]=4 2299 B11R1.866 CCC(C)N1CCC(C1)(C)O 269982a_100000718628_100000758301 [1,0,0,1,0,0|1,0,1]=4 2300 B11R1.866 C[C@H](CO)N1CCC(C1)(C)O 269982a_100000718628_100016084084 [1,0,0,1,0,0|1,0,1]=4 2301 B11R1.897 CC(CO)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100012180447 [1,0,0,1,0,0|1,0,1]=4 2302 B11R1.897 CCC(C)CN1CC(C1)(C)O 2230a_100000718560_100000748023 [1,0,0,1,0,0|1,0,1]=4 2303 B11R1.897 CCC(C)CN1CC(C1)(C)O 269982a_100000718560_100000748023 [1,0,0,1,0,0|1,0,1]=4 2304 B11R1.897 CCC(C)CN1CC(C1)(C)O 270004a_100000718560_100000243153 [1,0,0,1,0,0|1,0,1]=4 2305 B11R1.897 CCC(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000758301 [1,0,0,1,0,0|1,0,1]=4 2306 B11R1.897 CC[C@H](C)CN1CC(C1)(C)O 2230a_100000718560_100009816398 [1,0,0,1,0,0|1,0,1]=4 2307 B11R1.897 CC[C@H](C)CN1CC(C1)(C)O 269982a_100000718560_100009816398 [1,0,0,1,0,0|1,0,1]=4 2308 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)O 2230a_100000718560_100000059175 [1,0,0,1,0,0|1,0,1]=4 2309 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)O 269982a_100000718560_100000059175 [1,0,0,1,0,0|1,0,1]=4 2310 B11R1.950 CC1(CCCN(CC1)CF)O 269982a_100000723723_100015361967 [1,0,0,1,0,0|2,0,0]=4 2311 B11R1.950 CC1(CCCN(CC1)CF)O 34a_100000723723_100015361967 [1,0,0,1,0,0|2,0,0]=4 2312 B11R1.950 CCN1CCCC(CC1)(C)O 2230a_100000723723_100000210202 [1,0,0,1,0,0|1,0,1]=4 2313 B11R1.950 CCN1CCCC(CC1)(C)O 269982a_100000723723_100000204670 [1,0,0,1,0,0|1,0,1]=4 2314 B11R1.950 CCN1CCCC(CC1)(C)O 34a_100000723723_100000210202 [1,0,0,1,0,0|1,0,1]=4 2315 B11R1.1029 C=CC(C)COCC1(CO1)C 34a_100011215527_100000760498 [1,0,0,1,0,0|1,0,1]=4 2316 B11R1.1029 CC(CN)COCC1(CO1)C 34a_100000744482_100000760498 [1,0,0,1,0,0|2,0,0]=4 2317 B11R1.1029 CC(CO)CNCC1(CO1)C 34a_100000744482_100000760498 [1,0,0,1,0,0|1,0,1]=4 2318 B11R1.1029 CCC(C)CNCC1(CC1)O 2230a_100011936951_100000748023 [1,0,0,1,0,0|1,0,1]=4 2319 B11R1.1029 CCC(C)CNCC1(CC1)O 270004a_100011936951_100000243153 [1,0,0,1,0,0|1,0,1]=4 2320 B11R1.1029 CCC(C)CSCC1(CO1)C 62a_100000748023_100000760498 [1,0,0,1,0,0|1,0,1]=4 2321 B11R1.1029 CCC(C)CSCC1(CO1)C 62a_100000760498_100000748023 [1,0,0,1,0,0|1,0,1]=4 2322 B11R1.1029 CC[C@H](C)CNCC1(CC1)O 2230a_100011936951_100009816398 [1,0,0,1,0,0|1,0,1]=4 2323 B11R1.1029 CC[C@H](C)CSCC1(CO1)C 62a_100000760498_100009816398 [1,0,0,1,0,0|1,0,1]=4 2324 B11R1.1029 CC[C@H](C)CSCC1(CO1)C 62a_100009816398_100000760498 [1,0,0,1,0,0|1,0,1]=4 2325 B11R1.1029 C[C@@H](CO)CNCC1(CC1)O 2230a_100011936951_100000059175 [1,0,0,1,0,0|1,0,1]=4 2326 B11R1.1029 C[C@@H](CO)CSCC1(CO1)C 62a_100000059175_100000760498 [1,0,0,1,0,0|1,0,1]=4 2327 B11R1.1029 C[C@@H](CO)CSCC1(CO1)C 62a_100000760498_100000059175 [1,0,0,1,0,0|1,0,1]=4 2328 B11R1.82 C=CCN1CCC(CC1)(C)O 2230a_100000690209_100000210623 [0,0,0,1,1,0|2,0,0]=4 2329 B11R1.82 C=CCN1CCC(CC1)(C)O 269982a_100000690209_100000210623 [0,0,0,1,1,0|2,0,0]=4 2330 B11R1.82 CC1(CCN(CC1)CC=O)C 2230a_100000750138_200015260668 [0,0,0,1,1,0|2,0,0]=4 2331 B11R1.82 CC1(CCN(CC1)CC=O)C 269982a_100000750138_200015260668 [0,0,0,1,1,0|2,0,0]=4 2332 B11R1.82 CC1(CCN(CC1)CC=O)O 2230a_100000690209_200015260668 [0,0,0,1,1,0|1,0,0]=3 2333 B11R1.82 CC1(CCN(CC1)CC=O)O 269982a_100000690209_200015260668 [0,0,0,1,1,0|1,0,0]=3 2334 B11R1.82 O=CCN1CCC(CC1)(O)O 269982a_100016987284_200015260668 [0,0,0,1,1,0|2,0,0]=4 2335 B11R1.122 C=CCN1CC(C1)C(C)(C)O 269982a_100000708124_100000210623 [0,0,0,1,1,0|2,0,0]=4 2336 B11R1.122 C=CCN1CC(C1)C(C)(C)O 34a_100000708124_100015514636 [0,0,0,1,1,0|2,0,0]=4 2337 B11R1.122 CC(C)(O)C1CN(C1)CC=O 269982a_100000708124_200015260668 [0,0,0,1,1,0|1,0,0]=3 2338 B11R1.122 CC(C)(O)C1CN(C1)CC=O 34a_100000708124_200009817547 [0,0,0,1,1,0|1,0,0]=3 2339 B11R1.338 C=CC[C@@H](C)OCC1(CO1)C 34a_100000731007_100000760498 [0,0,0,1,1,0|2,0,0]=4 2340 B11R1.577 CC(C)(C)CSC1CC(=O)C1 62a_100009894365_100011219605 [0,0,0,1,1,0|2,0,0]=4 2341 B11R1.577 CC(C)(C)NCC1CC(=O)C1 2230a_100000715429_100009874392 [0,0,0,1,1,0|2,0,0]=4 2342 B11R1.577 CC(C)(C)OCC1CC(=O)C1 34a_100000101936_100000210625 [0,0,0,1,1,0|2,0,0]=4 2343 B11R1.577 CC(C)(C)OCC1CC(=O)C1 7a_100015890283_100009874392 [0,0,0,1,1,0|2,0,0]=4 2344 B11R1.577 CC(C)(C)SCC1CC(=O)C1 62a_100000211941_100009874392 [0,0,0,1,1,0|2,0,0]=4 2345 B11R1.577 CC(C)(C)SCC1CC(=O)C1 62a_100009874392_100000211941 [0,0,0,1,1,0|2,0,0]=4 2346 B11R1.577 CC(C)(F)CSC1CC(=O)C1 62a_100009894365_100011997219 [0,0,0,1,1,0|2,0,0]=4 2347 B11R1.577 CC(C)(O)CSC1CC(=O)C1 62a_100009894365_100000764493 [0,0,0,1,1,0|1,0,0]=3 2348 B13R1.195 CC1CCCC1NCCC(C)(C)O 269862a_100000707701_100000752053 [0,0,0,1,0,1|1,0,1]=4 2349 B13R1.195 CC1CCCC1OCCC(C)(C)O 34a_100011216460_100000702414 [0,0,0,1,0,1|1,0,1]=4 2350 B13R1.195 CC1CCCC1OCCC(C)(C)O 7a_100011216460_100000702414 [0,0,0,1,0,1|1,0,1]=4 2351 B13R1.195 C[C@@H]1CCCN1CCCC(C)(C)O 2230a_100015189458_100009888830 [0,0,0,1,0,1|1,0,1]=4 2352 B13R1.195 C[C@@H]1CCCN1CCCC(C)(C)O 269982a_100015189458_100009888830 [0,0,0,1,0,1|1,0,1]=4 2353 B13R1.195 C[C@@H]1CCCN1CCCC(C)(C)O 34a_100015189458_100009888830 [0,0,0,1,0,1|1,0,1]=4 2354 B13R1.195 C[C@@H]1CNC[C@@H]1OCCC(C)(C)O 34a_200015306588_100000702414 [0,0,0,1,0,1|2,0,0]=4 2355 B13R1.195 C[C@H]1CCCN1CCCC(C)(C)O 2230a_100020605311_100009888830 [0,0,0,1,0,1|1,0,1]=4 2356 B13R1.195 C[C@H]1CCCN1CCCC(C)(C)O 269982a_100020605311_100009888830 [0,0,0,1,0,1|1,0,1]=4 2357 B13R1.359 CC(C)(O)CN1CCC(C1)CCO 34a_100016987287_100000764493 [0,0,0,1,0,1|0,0,2]=4 2358 B13R1.359 COCC1CCN(C1)CC(C)(C)O 34a_100025706693_100000764493 [0,0,0,1,0,1|2,0,0]=4 2359 B13R1.838 CC1CCCC(C1)NCC(C)(C)O 270004a_100000751335_100000183594 [0,0,0,1,0,1|1,0,1]=4 2360 B13R1.838 CC1CCCC(C1)NCC(C)(C)O 34a_100011194320_100000764493 [0,0,0,1,0,1|1,0,1]=4 2361 B13R1.838 CC1CCCC(C1)OCC(C)(C)O 34a_100000211399_100000764493 [0,0,0,1,0,1|1,0,1]=4 2362 B13R1.838 C[C@H]1CCCN(C1)CCC(C)(C)O 2230a_100000717927_100000702414 [0,0,0,1,0,1|1,0,1]=4 2363 B13R1.838 C[C@H]1CCCN(C1)CCC(C)(C)O 34a_100000717927_100000702414 [0,0,0,1,0,1|1,0,1]=4 2364 B13R1.1479 C=CCN(C)CC1COC(O1)(C)C 2230a_100000225617_100009884615 [0,0,0,1,0,1|2,0,0]=4 2365 B13R1.1479 C=CCN(C)CC1COC(O1)(C)C 269982a_100000225617_100000198056 [0,0,0,1,0,1|2,0,0]=4 2366 B13R1.1479 C=CCN(C)C[C@H]1COC(O1)(C)C 2230a_100000225617_100015422573 [0,0,0,1,0,1|2,0,0]=4 2367 B13R1.1479 C=CCN(C)C[C@H]1COC(O1)(C)C 269982a_100000225617_100015422573 [0,0,0,1,0,1|2,0,0]=4 2368 B13R1.1479 C=CCN(C)C[C@H]1COC(O1)(C)C 270004a_100000225617_100009815026 [0,0,0,1,0,1|2,0,0]=4 2369 B13R1.1479 CCCC(C)CN1CCC(C1)(C)O 2230a_100000718628_100011216630 [0,0,0,1,0,1|1,0,1]=4 2370 B13R1.1479 CCCC(C)CN1CCC(C1)(C)O 269982a_100000718628_100011216630 [0,0,0,1,0,1|1,0,1]=4 2371 B13R1.1479 CCCC(C)CN1CCC(C1)(C)O 270004a_100000718628_100000243154 [0,0,0,1,0,1|1,0,1]=4 2372 B13R1.1485 CC(CC#N)NC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100009813641 [0,0,0,1,0,1|1,0,1]=4 2373 B13R1.1485 CC(CCO)NC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100009893172 [0,0,0,1,0,1|0,0,2]=4 2374 B13R1.1485 CCCC(C)CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100011216630 [0,0,0,1,0,1|1,0,1]=4 2375 B13R1.1485 CCCC(C)CN[C@H]1C[C@@](C1)(C)O 270004a_100121572536_100000243154 [0,0,0,1,0,1|1,0,1]=4 2376 B13R1.1485 CCCC(C)NC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000766640 [0,0,0,1,0,1|1,0,1]=4 2377 B13R1.1485 CCCC(C)NC[C@H]1C[C@@](C1)(C)O 270004a_100015257651_100000211909 [0,0,0,1,0,1|1,0,1]=4 2378 B13R1.1485 COCC(C)NC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000765312 [0,0,0,1,0,1|2,0,0]=4 2379 B13R1.1485 COCC(C)NC[C@H]1C[C@@](C1)(C)O 270004a_100015257651_100000749346 [0,0,0,1,0,1|2,0,0]=4 2380 B13R1.1485 CSCC(C)NC[C@H]1C[C@@](C1)(C)O 270004a_100015257651_100011216314 [0,0,0,1,0,1|2,0,0]=4 2381 B13R1.1493 CCCC(C)CCOCC1(CO1)C 34a_100011217855_100000760498 [0,0,0,1,0,1|1,0,1]=4 2382 B13R1.1517 CC(CC#N)N1CCCC(C1)(C)O 2230a_100000695535_100009813641 [0,0,0,1,0,1|1,0,1]=4 2383 B13R1.1517 CC(CC#N)N1CCCC(C1)(C)O 269982a_100000695535_100009813641 [0,0,0,1,0,1|1,0,1]=4 2384 B13R1.1517 CC(CCO)N1CCCC(C1)(C)O 2230a_100000695535_100009893172 [0,0,0,1,0,1|0,0,2]=4 2385 B13R1.1517 CC(CCO)N1CCCC(C1)(C)O 269982a_100000695535_100009893172 [0,0,0,1,0,1|0,0,2]=4 2386 B13R1.1517 CCCC(C)N1CCCC(C1)(C)O 2230a_100000695535_100000766640 [0,0,0,1,0,1|1,0,1]=4 2387 B13R1.1517 CCCC(C)N1CCCC(C1)(C)O 269982a_100000695535_100000766640 [0,0,0,1,0,1|1,0,1]=4 2388 B13R1.1517 CCCC(C)N1CCCC(C1)(C)O 270004a_100000695535_100000211909 [0,0,0,1,0,1|1,0,1]=4 2389 B13R1.1517 COCC(C)N1CCCC(C1)(C)O 2230a_100000695535_100000765312 [0,0,0,1,0,1|2,0,0]=4 2390 B13R1.1517 COCC(C)N1CCCC(C1)(C)O 269982a_100000695535_100000765312 [0,0,0,1,0,1|2,0,0]=4 2391 B13R1.1517 COCC(C)N1CCCC(C1)(C)O 270004a_100000695535_100000749346 [0,0,0,1,0,1|2,0,0]=4 2392 B13R1.1517 CSCC(C)N1CCCC(C1)(C)O 270004a_100000695535_100011216314 [0,0,0,1,0,1|2,0,0]=4 2393 B13R1.2553 CCCC(C)COCC1OC1(C)C 34a_200010283642_100011216630 [0,0,0,1,0,1|1,0,1]=4 2394 B13R1.2553 CCCC(C)COCC1OC1(C)C 7a_200010283642_100011216630 [0,0,0,1,0,1|1,0,1]=4 2395 B13R1.2904 CC(C)(C)CCOCC1CC=CC1 34a_100000688395_100000755188 [0,0,0,1,0,1|2,0,0]=4 2396 B13R1.2904 CC(C)(O)CCCNC1CC=CC1 2230a_100015188752_100009888830 [0,0,0,1,0,1|1,0,0]=3 2397 B13R1.2904 CC(C)(O)CCCNC1CCCC1 2230a_100000211070_100009888830 [0,0,0,1,0,1|1,0,1]=4 2398 B13R1.2904 CC(C)(O)CCCNC1CCCC1 34a_100000211070_100009888830 [0,0,0,1,0,1|1,0,1]=4 2399 B13R1.2904 CC(C)(O)CCCN[C@@H]1CCOC1 2230a_200015188469_100009888830 [0,0,0,1,0,1|0,0,2]=4 2400 B13R1.2904 CC(C)(O)CCCN[C@H]1CCOC1 2230a_100015188467_100009888830 [0,0,0,1,0,1|0,0,2]=4 2401 B13R1.2904 CC(C)(O)CCCN[C@H]1CCOC1 34a_100015188467_100009888830 [0,0,0,1,0,1|0,0,2]=4 2402 B13R1.2904 CC(C)(O)CCCOC1CCCC1 34a_100000210269_100009888830 [0,0,0,1,0,1|1,0,1]=4 2403 B13R1.2904 CC(C)(O)CCCOC1CCCC1 7a_100000210269_100009888830 [0,0,0,1,0,1|1,0,1]=4 2404 B13R1.2904 CC(C)(O)CCCOC1CCSC1 7a_100011232664_100009888830 [0,0,0,1,0,1|0,1,1]=4 2405 B13R1.2904 CC(C)(O)CCCO[C@H]1CCOC1 34a_100000717292_100009888830 [0,0,0,1,0,1|0,0,2]=4 2406 B13R1.2904 CC(C)(O)CCCSC1CCCC1 62a_100009888830_100000179811 [0,0,0,1,0,1|1,0,1]=4 2407 B13R1.2904 CC(C)(O)CCCSC1CCCC1 62a_100011217020_100009888830 [0,0,0,1,0,1|1,0,1]=4 2408 B13R1.2904 CC(C)(O)CCCSC1CCOC1 62a_100009888830_100000690089 [0,0,0,1,0,1|0,0,2]=4 2409 B13R1.2904 CC(C)(O)CCNCC1CCCC1 2230a_100000737975_100000702414 [0,0,0,1,0,1|1,0,1]=4 2410 B13R1.2904 CC(C)(O)CCNCC1CCCC1 269862a_100000707701_100000746403 [0,0,0,1,0,1|1,0,1]=4 2411 B13R1.2904 CC(C)(O)CCNCC1CCCC1 34a_100000737975_100000702414 [0,0,0,1,0,1|1,0,1]=4 2412 B13R1.2904 CC(C)(O)CCNCC1CCOC1 2230a_100000737293_100000702414 [0,0,0,1,0,1|0,0,2]=4 2413 B13R1.2904 CC(C)(O)CCNCC1CCOC1 34a_100000737293_100000702414 [0,0,0,1,0,1|0,0,2]=4 2414 B13R1.2904 CC(C)(O)CCOCC1CC=CC1 34a_100000688395_100000702414 [0,0,0,1,0,1|1,0,0]=3 2415 B13R1.2904 CC(C)(O)CCOCC1CCCC1 34a_100000742336_100000702414 [0,0,0,1,0,1|1,0,1]=4 2416 B13R1.2904 CC(C)(O)CCOCC1CCCC1 7a_100000742336_100000702414 [0,0,0,1,0,1|1,0,1]=4 2417 B13R1.2904 CC(C)(O)CCOCC1CCNC1 34a_100000748654_100000702414 [0,0,0,1,0,1|1,0,1]=4 2418 B13R1.2904 CC(C)(O)CCOCC1CCOC1 34a_100000740260_100000702414 [0,0,0,1,0,1|0,0,2]=4 2419 B13R1.2904 CC(C)(O)CCSCC1CCCC1 62a_100000702414_100000740388 [0,0,0,1,0,1|1,0,1]=4 2420 B13R1.2904 CC(C)(O)CCSCC1CCCC1 62a_100000740388_100000702414 [0,0,0,1,0,1|1,0,1]=4 2421 B13R1.2904 CC(C)(O)CCSCC1CCOC1 62a_100000702414_100000702531 [0,0,0,1,0,1|0,0,2]=4 2422 B13R1.2904 CC(C)(O)CCSCC1CCOC1 62a_100000702531_100000702414 [0,0,0,1,0,1|0,0,2]=4 2423 B13R1.2904 CC(C)(O)CNCCC1CCCC1 2230a_100000751335_100000760354 [0,0,0,1,0,1|1,0,1]=4 2424 B13R1.2904 CC(C)(O)CNCCC1CCCC1 34a_100000739158_100000764493 [0,0,0,1,0,1|1,0,1]=4 2425 B13R1.2904 CC(C)(O)COCCC1CCCC1 34a_100000749090_100000764493 [0,0,0,1,0,1|1,0,1]=4 2426 B13R1.2904 CC(C)(O)COCCC1CCCC1 7a_100000749090_100000764493 [0,0,0,1,0,1|1,0,1]=4 2427 B13R1.2904 CC(C)(O)COCCC1CCNC1 34a_100016987287_100000764493 [0,0,0,1,0,1|1,0,1]=4 2428 B13R1.2904 CC(C)(O)COCCC1CCOC1 34a_100011879284_100000764493 [0,0,0,1,0,1|0,0,2]=4 2429 B13R1.2904 CC(C)(O)CSCCC1CCCC1 62a_100000760354_100000764493 [0,0,0,1,0,1|1,0,1]=4 2430 B13R1.2904 CC(C)(O)CSCCC1CCCC1 62a_100000764493_100000760354 [0,0,0,1,0,1|1,0,1]=4 2431 B13R1.3486 CC1CC(C(=O)O1)NCC(C)(C)C 2230a_100000743828_200000216747 [0,0,0,1,0,1|2,0,0]=4 2432 B13R1.3486 CC1CC(C(=O)O1)NCC(C)(C)F 2230a_100020643315_200000216747 [0,0,0,1,0,1|2,0,0]=4 2433 B13R1.3486 CC1CC(C(=O)O1)NCC(C)(C)O 2230a_100000751335_200000216747 [0,0,0,1,0,1|1,0,0]=3 2434 B13R1.3486 CC1CC(C(=O)O1)OCC(C)(C)F 34a_100000716592_200000216747 [0,0,0,1,0,1|2,0,0]=4 2435 B13R1.3486 CC1CC(C(=O)O1)SCC(C)(C)C 62a_100011219605_200000216747 [0,0,0,1,0,1|2,0,0]=4 2436 B13R1.3486 CC1CC(C(=O)O1)SCC(C)(C)C 62a_200000216747_100011219605 [0,0,0,1,0,1|2,0,0]=4 2437 B13R1.3486 CC1CC(C(=O)O1)SCC(C)(C)F 62a_100011997219_200000216747 [0,0,0,1,0,1|2,0,0]=4 2438 B13R1.3486 CC1CC(C(=O)O1)SCC(C)(C)F 62a_200000216747_100011997219 [0,0,0,1,0,1|2,0,0]=4 2439 B13R1.3486 CC1CC(C(=O)O1)SCC(C)(C)O 62a_100000764493_200000216747 [0,0,0,1,0,1|1,0,0]=3 2440 B13R1.3486 CC1CC(C(=O)O1)SCC(C)(C)O 62a_200000216747_100000764493 [0,0,0,1,0,1|1,0,0]=3 2441 B13R1.3782 CC1CCCN(CC1)CC(C)(C)O 34a_100025706717_100000764493 [0,0,0,1,0,1|1,0,1]=4 2442 B13R1.3864 C=C1CC(C1)CNCCC(C)(C)C 2230a_100102567296_100000755188 [0,0,0,1,0,1|2,0,0]=4 2443 B13R1.3864 C=C1CC(C1)CNCCC(C)(C)C 34a_100102567296_100000755188 [0,0,0,1,0,1|2,0,0]=4 2444 B13R1.3864 C=C1CC(C1)CNCCC(C)(C)O 2230a_100102567296_100000702414 [0,0,0,1,0,1|1,0,0]=3 2445 B13R1.3864 C=C1CC(C1)CNCCC(C)(C)O 34a_100102567296_100000702414 [0,0,0,1,0,1|1,0,0]=3 2446 B13R1.3864 C=C1CC(C1)COCCC(C)(C)C 34a_100011011225_100000755188 [0,0,0,1,0,1|2,0,0]=4 2447 B13R1.3864 C=C1CC(C1)COCCC(C)(C)O 34a_100011011225_100000702414 [0,0,0,1,0,1|1,0,0]=3 2448 B13R1.3864 C=C1CC(C1)NCCCC(C)(C)O 2230a_100132301982_100009888830 [0,0,0,1,0,1|1,0,0]=3 2449 B13R1.3864 CC(C)(C)CCNCC1CC(=O)C1 2230a_100000738805_100009874392 [0,0,0,1,0,1|1,0,0]=3 2450 B13R1.3864 CC(C)(C)CCOCC1CC(=O)C1 34a_100000101936_100000755188 [0,0,0,1,0,1|1,0,0]=3 2451 B13R1.3864 CC(C)(C)CCOCC1CC(=O)C1 7a_100000765024_100009874392 [0,0,0,1,0,1|1,0,0]=3 2452 B13R1.3864 CC(C)(C)CCSCC1CC(=O)C1 62a_100000755188_100009874392 [0,0,0,1,0,1|1,0,0]=3 2453 B13R1.3864 CC(C)(C)CCSCC1CC(=O)C1 62a_100009874392_100000755188 [0,0,0,1,0,1|1,0,0]=3 2454 B13R1.3864 CC(C)(F)CCNCC1CC(=O)C1 2230a_100016253952_100009874392 [0,0,0,1,0,1|1,0,0]=3 2455 B13R1.3864 CC(C)(O)CCCNC1CC(C1)F 2230a_100016993743_100009888830 [0,0,0,1,0,1|1,0,1]=4 2456 B13R1.3864 CC(C)(O)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009888830 [0,0,0,1,0,1|0,0,2]=4 2457 B13R1.3864 CC(C)(O)CCCSC1CC(=O)C1 62a_100009894365_100009888830 [0,0,0,1,0,1|0,0,0]=2 2458 B13R1.3864 CC(C)(O)CCNCC1CC(C1)O 2230a_100016992100_100000702414 [0,0,0,1,0,1|0,0,2]=4 2459 B13R1.3864 CC(C)(O)CCOCC1CC(=O)C1 34a_100000101936_100000702414 [0,0,0,1,0,1|0,0,0]=2 2460 B13R1.3864 CC(C)(O)CCOCC1CC(C1)Cl 34a_100009874164_100000702414 [0,0,0,1,0,1|1,0,1]=4 2461 B13R1.3864 CC(C)(O)CCSCC1CC(=O)C1 62a_100000702414_100009874392 [0,0,0,1,0,1|0,0,0]=2 2462 B13R1.3864 CC(C)(O)CCSCC1CC(=O)C1 62a_100009874392_100000702414 [0,0,0,1,0,1|0,0,0]=2 2463 B13R1.3864 C[N+](C)(C)CCCSC1CC(=O)C1 62a_100009894365_100016990835 [0,0,0,1,0,1|2,0,0]=4 2464 B13R1.3864 C[N+](C)(C)CCOCC1CC(=O)C1 34a_100000101936_100000085578 [0,0,0,1,0,1|2,0,0]=4 2465 B13R1.3864 C[N+](C)(C)CCOCC1CC(=O)C1 7a_200020618287_100009874392 [0,0,0,1,0,1|2,0,0]=4 2466 B13R1.3864 C[N+](C)(C)CCSCC1CC(=O)C1 62a_100000085578_100009874392 [0,0,0,1,0,1|2,0,0]=4 2467 B13R1.3864 C[N+](C)(C)CCSCC1CC(=O)C1 62a_100009874392_100000085578 [0,0,0,1,0,1|2,0,0]=4 2468 B13R1.3864 C[Si](C)(C)CCCSC1CC(=O)C1 62a_100009894365_100011219597 [0,0,0,1,0,1|1,1,0]=4 2469 B13R1.3864 C[Si](C)(C)CCOCC1CC(=O)C1 34a_100000101936_200000733723 [0,0,0,1,0,1|1,1,0]=4 2470 B13R1.3864 C[Si](C)(C)CCOCC1CC(=O)C1 7a_100000039746_100009874392 [0,0,0,1,0,1|1,1,0]=4 2471 B13R1.3864 C[Si](C)(C)CCSCC1CC(=O)C1 62a_100009874392_200000733723 [0,0,0,1,0,1|1,1,0]=4 2472 B13R1.3864 C[Si](C)(C)CCSCC1CC(=O)C1 62a_200000733723_100009874392 [0,0,0,1,0,1|1,1,0]=4 2473 B13R1.4033 COCC1CC(C1)NCC(C)(C)O 270004a_100000751335_100010371266 [0,0,0,1,0,1|2,0,0]=4 2474 B13R1.4033 COCC1CN(C1)CCC(C)(C)O 2230a_100016993750_100000702414 [0,0,0,1,0,1|2,0,0]=4 2475 B13R1.4033 COCC1CN(C1)CCC(C)(C)O 34a_100016993750_100000702414 [0,0,0,1,0,1|2,0,0]=4 2476 B13R1.7702 CC(C)(O)CCCNC1(CCC1)C 2230a_100000692455_100009888830 [0,0,0,1,0,1|1,0,1]=4 2477 B13R1.7702 CC(C)(O)CCCNC1(CCC1)C 34a_100000692455_100009888830 [0,0,0,1,0,1|1,0,1]=4 2478 B13R1.7702 CC(C)(O)CCCNC1(COC1)C 2230a_100000732644_100009888830 [0,0,0,1,0,1|2,0,0]=4 2479 B13R1.7702 CC(C)(O)CCCOC1(CCC1)C 34a_100000759064_100009888830 [0,0,0,1,0,1|1,0,1]=4 2480 B13R1.7702 CC(C)(O)CCCOC1(CCC1)C 7a_100000759064_100009888830 [0,0,0,1,0,1|1,0,1]=4 2481 B13R1.7702 CC(C)(O)CCCOC1(CSC1)C 7a_100016018533_100009888830 [0,0,0,1,0,1|2,0,0]=4 2482 B13R1.7702 CC(C)(O)CCNCC1(CCC1)C 2230a_100000706607_100000702414 [0,0,0,1,0,1|1,0,1]=4 2483 B13R1.7702 CC(C)(O)CCNCC1(COC1)C 2230a_100020631278_100000702414 [0,0,0,1,0,1|2,0,0]=4 2484 B13R1.7702 CC(C)(O)CCNCC1(COC1)C 269862a_100000707701_100000050806 [0,0,0,1,0,1|2,0,0]=4 2485 B13R1.7702 CC(C)(O)CCOCC1(CSC1)C 34a_100000732658_100000702414 [0,0,0,1,0,1|2,0,0]=4 2486 B13R1.7702 CC(C)(O)CCOCC1(CSC1)C 7a_100000732658_100000702414 [0,0,0,1,0,1|2,0,0]=4 2487 B13R1.7702 CC(C)(O)CCSCC1(CCC1)C 62a_100000702414_100000726658 [0,0,0,1,0,1|1,0,1]=4 2488 B13R1.7702 CC(C)(O)CCSCC1(CCC1)C 62a_100000726658_100000702414 [0,0,0,1,0,1|1,0,1]=4 2489 B13R1.7702 CC(C)(O)CCSCC1(COC1)C 62a_100000702414_100009817586 [0,0,0,1,0,1|2,0,0]=4 2490 B13R1.7702 CC(C)(O)CCSCC1(COC1)C 62a_100009817586_100000702414 [0,0,0,1,0,1|2,0,0]=4 2491 B13R1.8875 CC(NCCCC(C)(C)O)C1CC1 2230a_100000700016_100009888830 [0,0,0,1,0,1|1,0,1]=4 2492 B13R1.8875 CC(NCCCC(C)(C)O)C1CC1 34a_100000700016_100009888830 [0,0,0,1,0,1|1,0,1]=4 2493 B13R1.8875 CC(OCCCC(C)(C)O)C1CC1 34a_100000744524_100009888830 [0,0,0,1,0,1|1,0,1]=4 2494 B13R1.8875 CC(OCCCC(C)(C)O)C1CC1 7a_100000744524_100009888830 [0,0,0,1,0,1|1,0,1]=4 2495 B13R1.140 C=CCN1CCC(CC1)C(C)(C)O 2230a_100025784243_100000210623 [0,1,0,1,0,0|2,0,0]=4 2496 B13R1.140 C=CCN1CCC(CC1)C(C)(C)O 269982a_100025784243_100000210623 [0,1,0,1,0,0|2,0,0]=4 2497 B13R1.140 C=CCN1CCC(CC1)C(C)(C)O 34a_100025784243_100015514636 [0,1,0,1,0,0|2,0,0]=4 2498 B13R1.140 CC(C)(C)C1CCN(CC1)CC=O 2230a_100000717223_200015260668 [0,1,0,1,0,0|2,0,0]=4 2499 B13R1.140 CC(C)(C)C1CCN(CC1)CC=O 269982a_100000717223_200015260668 [0,1,0,1,0,0|2,0,0]=4 2500 B13R1.140 CC(C)(C)C1CCN(CC1)CC=O 34a_100000717223_200009817547 [0,1,0,1,0,0|2,0,0]=4 2501 B13R1.140 CC(C)(O)C1CCN(CC1)CC=O 2230a_100025784243_200015260668 [0,1,0,1,0,0|1,0,0]=3 2502 B13R1.140 CC(C)(O)C1CCN(CC1)CC=O 269982a_100025784243_200015260668 [0,1,0,1,0,0|1,0,0]=3 2503 B13R1.140 CC(C)(O)C1CCN(CC1)CC=O 34a_100025784243_200009817547 [0,1,0,1,0,0|1,0,0]=3 2504 B13R1.3466 CC1CC(C(=O)O1)C(=O)C(C)(C)O 1458a_100000242741_200000216747 [0,1,0,1,0,0|1,0,1]=4 2505 B13R1.3845 C=C1CC(C1)CNC(C)C(C)(C)O 269862a_100102567296_100000747739 [0,1,0,1,0,0|2,0,0]=4 2506 B13R1.3845 C[C@@H](NCC1CC(=O)C1)C(C)(C)C 2230a_100025703359_100009874392 [0,1,0,1,0,0|2,0,0]=4 2507 B13R1.3845 C[C@H](NCC1CC(=O)C1)C(C)(C)O 2230a_100025708725_100009874392 [0,1,0,1,0,0|1,0,0]=3 2508 B13R1.127 CC(C)(C)CCNC1CNC(=O)C1 2230a_100000697751_100000755188 [0,1,0,1,0,0|2,0,0]=4 2509 B13R1.127 CC(C)(C)CCOC1CCC(=O)C1 34a_100012614533_100000755188 [0,1,0,1,0,0|2,0,0]=4 2510 B13R1.127 CC(C)(C)CCOC1CNC(=O)C1 34a_100000690082_100000755188 [0,1,0,1,0,0|2,0,0]=4 2511 B13R1.127 CC(C)(C)CNCC1CNC(=O)C1 34a_100016993742_100011219605 [0,1,0,1,0,0|2,0,0]=4 2512 B13R1.127 CC(C)(C)COCC1CNC(=O)C1 34a_100016041077_100011219605 [0,1,0,1,0,0|2,0,0]=4 2513 B13R1.127 CC(C)(F)CNCC1CNC(=O)C1 34a_100016993742_100011997219 [0,1,0,1,0,0|2,0,0]=4 2514 B13R1.127 CC(C)(F)COCC1CNC(=O)C1 34a_100016041077_100011997219 [0,1,0,1,0,0|2,0,0]=4 2515 B13R1.127 CC(C)(O)CCCN1CNC(=O)C1 2230a_200000708111_100009888830 [0,1,0,1,0,0|1,0,0]=3 2516 B13R1.127 CC(C)(O)CCNC1CNC(=O)C1 2230a_100000697751_100000702414 [0,1,0,1,0,0|1,0,0]=3 2517 B13R1.127 CC(C)(O)CCOC1CCC(=O)C1 34a_100012614533_100000702414 [0,1,0,1,0,0|1,0,0]=3 2518 B13R1.127 CC(C)(O)CCOC1CNC(=O)C1 34a_100000690082_100000702414 [0,1,0,1,0,0|1,0,0]=3 2519 B13R1.127 CC(C)(O)CCSC1COC(=O)O1 62a_100000702414_100000032252 [0,1,0,1,0,0|2,0,0]=4 2520 B13R1.127 CC(C)(O)CNCC1CNC(=O)C1 34a_100016993742_100000764493 [0,1,0,1,0,0|1,0,0]=3 2521 B13R1.127 CC(C)(O)CNCC1CNC(=O)O1 2230a_100000751335_100000181169 [0,1,0,1,0,0|2,0,0]=4 2522 B13R1.127 CC(C)(O)CNC[C@@H]1CCC(=O)N1 2230a_100000751335_100015189358 [0,1,0,1,0,0|2,0,0]=4 2523 B13R1.127 CC(C)(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000764493 [0,1,0,1,0,0|2,0,0]=4 2524 B13R1.127 CC(C)(O)CNC[C@H]1COC(=O)N1 2230a_100000751335_100015307671 [0,1,0,1,0,0|2,0,0]=4 2525 B13R1.127 CC(C)(O)COCC1CCC(=O)N1 34a_100000737831_100000764493 [0,1,0,1,0,0|2,0,0]=4 2526 B13R1.127 CC(C)(O)COCC1CNC(=O)C1 34a_100016041077_100000764493 [0,1,0,1,0,0|1,0,0]=3 2527 B13R1.127 CC(C)(O)COCC1CNC(=O)O1 34a_100011315639_100000764493 [0,1,0,1,0,0|2,0,0]=4 2528 B13R1.127 CC(C)(O)CSCC1CNC(=O)O1 62a_100000181169_100000764493 [0,1,0,1,0,0|2,0,0]=4 2529 B13R1.127 CC(C)(O)CSCC1CNC(=O)O1 62a_100000764493_100000181169 [0,1,0,1,0,0|2,0,0]=4 2530 B13R1.127 CC(C)(O)CSCC1COC(=O)O1 62a_100000073702_100000764493 [0,1,0,1,0,0|2,0,0]=4 2531 B13R1.127 CC(C)(O)CSCC1COC(=O)O1 62a_100000764493_100000073702 [0,1,0,1,0,0|2,0,0]=4 2532 B13R1.127 CC(C)(O)CSC[C@@H]1CCC(=O)N1 62a_100000764493_100015189358 [0,1,0,1,0,0|2,0,0]=4 2533 B13R1.127 CC(C)(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000764493 [0,1,0,1,0,0|2,0,0]=4 2534 B13R1.127 CC(C)(O)CSC[C@H]1COC(=O)N1 62a_100000764493_100015307671 [0,1,0,1,0,0|2,0,0]=4 2535 B13R1.127 CC(C)(O)CSC[C@H]1COC(=O)N1 62a_100015307671_100000764493 [0,1,0,1,0,0|2,0,0]=4 2536 B13R1.584 C=C(C)CN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000748629 [0,1,0,1,0,0|2,0,0]=4 2537 B13R1.584 C=C(C)CN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000748629 [0,1,0,1,0,0|2,0,0]=4 2538 B13R1.584 C=C(C)CN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100000748629 [0,1,0,1,0,0|2,0,0]=4 2539 B13R1.584 C=C(F)CN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100009893438 [0,1,0,1,0,0|2,0,0]=4 2540 B13R1.584 C=C(F)CN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100009893438 [0,1,0,1,0,0|2,0,0]=4 2541 B13R1.584 C=C(F)CN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100009893438 [0,1,0,1,0,0|2,0,0]=4 2542 B13R1.584 CC(C)(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100000211941 [0,1,0,1,0,0|2,0,0]=4 2543 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)CC(=O)N 2230a_100132313854_100000747473 [0,1,0,1,0,0|1,0,0]=3 2544 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)CC(=O)N 269982a_100132313854_100000187820 [0,1,0,1,0,0|1,0,0]=3 2545 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)CC(=O)N 34a_100132313854_100000187820 [0,1,0,1,0,0|1,0,0]=3 2546 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100132313854_100020667443 [0,1,0,1,0,0|1,0,0]=3 2547 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)CC(=O)[O-] 34a_100132313854_100020667443 [0,1,0,1,0,0|1,0,0]=3 2548 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)C[N+](=O)[O-] 269982a_100132313854_100000761209 [0,1,0,1,0,0|2,0,0]=4 2549 B13R1.584 CC(C)(O)[C@@H]1CCN(C1)C[N+](=O)[O-] 34a_100132313854_100000761209 [0,1,0,1,0,0|2,0,0]=4 2550 B13R1.1018 CC(C)(C)CN1CC(C1)CC(=O)O 269956a_100016993960_100011219605 [0,1,0,1,0,0|2,0,0]=4 2551 B13R1.1018 CC(C)(F)CN1CC(C1)CC(=O)O 269956a_100016993960_100011997219 [0,1,0,1,0,0|2,0,0]=4 2552 B13R1.1018 CC(C)(O)CN1CC(C1)CC(=O)O 269956a_100016993960_100000764493 [0,1,0,1,0,0|1,0,0]=3 2553 B13R1.7463 CC(=O)OC(C)N1CCC(C1)(C)O 269982a_100000718628_100009818208 [0,1,0,1,0,0|2,0,0]=4 2554 B13R1.7463 CN(CC(=O)N)C1CCC(C1)(C)C 270004a_100000739694_100000759959 [0,1,0,1,0,0|2,0,0]=4 2555 B13R1.7867 CC(C)(O)CCNC1CS(=O)(=O)C1 2230a_100000695474_100000702414 [0,1,0,1,0,0|2,0,0]=4 2556 B13R1.7867 CC(C)(O)CCNC1CS(=O)(=O)C1 34a_100000695474_100000702414 [0,1,0,1,0,0|2,0,0]=4 2557 B13R1.7867 CC(C)(O)CCOC1CS(=O)(=O)C1 34a_100000072295_100000702414 [0,1,0,1,0,0|2,0,0]=4 2558 B13R1.7867 CC(C)(O)CCOC1CS(=O)(=O)C1 7a_100000072295_100000702414 [0,1,0,1,0,0|2,0,0]=4 2559 B13R1.8833 C=C(C)CN1CCCC(CC1)(C)O 2230a_100000723723_100000748629 [0,1,0,1,0,0|2,0,0]=4 2560 B13R1.8833 C=C(C)CN1CCCC(CC1)(C)O 269982a_100000723723_100000748629 [0,1,0,1,0,0|2,0,0]=4 2561 B13R1.8833 C=C(C)CN1CCCC(CC1)(C)O 34a_100000723723_100000748629 [0,1,0,1,0,0|2,0,0]=4 2562 B13R1.8833 C=C(F)CN1CCCC(CC1)(C)O 2230a_100000723723_100009893438 [0,1,0,1,0,0|2,0,0]=4 2563 B13R1.8833 C=C(F)CN1CCCC(CC1)(C)O 269982a_100000723723_100009893438 [0,1,0,1,0,0|2,0,0]=4 2564 B13R1.8833 C=C(F)CN1CCCC(CC1)(C)O 34a_100000723723_100009893438 [0,1,0,1,0,0|2,0,0]=4 2565 B13R1.8833 CC1(CCCN(CC1)CC(=O)N)O 2230a_100000723723_100000747473 [0,1,0,1,0,0|1,0,0]=3 2566 B13R1.8833 CC1(CCCN(CC1)CC(=O)N)O 269982a_100000723723_100000187820 [0,1,0,1,0,0|1,0,0]=3 2567 B13R1.8833 CC1(CCCN(CC1)CC(=O)N)O 34a_100000723723_100000187820 [0,1,0,1,0,0|1,0,0]=3 2568 B13R1.8833 CC1(CCCN(CC1)CC(=O)[O-])O 269982a_100000723723_100020667443 [0,1,0,1,0,0|1,0,0]=3 2569 B13R1.8833 CC1(CCCN(CC1)CC(=O)[O-])O 34a_100000723723_100020667443 [0,1,0,1,0,0|1,0,0]=3 2570 B13R1.8833 CC1(CCCN(CC1)C[N+](=O)[O-])O 269982a_100000723723_100000761209 [0,1,0,1,0,0|2,0,0]=4 2571 B13R1.8833 CC1(CCCN(CC1)C[N+](=O)[O-])O 34a_100000723723_100000761209 [0,1,0,1,0,0|2,0,0]=4 2572 B13R1.8856 CC1(CO1)CNCC(O)CC(=O)O 269956a_100011218706_100000760498 [0,1,0,1,0,0|2,0,0]=4 2573 B13R1.3868 CC(C)(C)CC(=O)CC1CC(=O)C1 1458a_100000211214_100009874392 [0,1,0,1,0,0|1,0,1]=4 2574 B13R1.3868 CC(C)(O)CC(=O)CC1CC(=O)C1 1458a_100000693243_100009874392 [0,1,0,1,0,0|0,0,1]=3 2575 B13R1.3868 CN(CC1CC(=O)C1)CC(C)(C)C 2230a_100000742839_100009874392 [0,1,0,1,0,0|2,0,0]=4 2576 B13R1.3868 CN(CC1CC(=O)C1)CC(C)(C)C 269982a_100000742839_100009874392 [0,1,0,1,0,0|2,0,0]=4 2577 B13R1.3868 CN(CC1CC(=O)C1)CC(C)(C)O 2230a_100000755907_100009874392 [0,1,0,1,0,0|1,0,0]=3 2578 B13R1.3868 CN(CC1CC(=O)C1)CC(C)(C)O 269982a_100000755907_100009874392 [0,1,0,1,0,0|1,0,0]=3 2579 B13R1.535 C=CC(C)N1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100011215867 [0,1,0,1,0,0|2,0,0]=4 2580 B13R1.4648 C=CC(C)N1CCCC(CC1)(C)O 269982a_100000723723_100011215867 [0,1,0,1,0,0|2,0,0]=4 2581 B13R1.496 C/C=C/CN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100102629194 [0,1,0,1,0,0|2,0,0]=4 2582 B13R1.496 C/C=C/CN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100102629194 [0,1,0,1,0,0|2,0,0]=4 2583 B13R1.496 C=CCCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000754431 [0,1,0,1,0,0|2,0,0]=4 2584 B13R1.496 C=CCCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000754431 [0,1,0,1,0,0|2,0,0]=4 2585 B13R1.496 C=CCCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100000754431 [0,1,0,1,0,0|2,0,0]=4 2586 B13R1.496 CC=CCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000070051 [0,1,0,1,0,0|2,0,0]=4 2587 B13R1.496 CC=CCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100000070051 [0,1,0,1,0,0|2,0,0]=4 2588 B13R1.1651 C/C=C/CN1CCCC(CC1)(C)O 269982a_100000723723_100102629194 [0,1,0,1,0,0|2,0,0]=4 2589 B13R1.1651 C/C=C/CN1CCCC(CC1)(C)O 34a_100000723723_100102629194 [0,1,0,1,0,0|2,0,0]=4 2590 B13R1.1651 C=CCCN1CCCC(CC1)(C)O 2230a_100000723723_100000754431 [0,1,0,1,0,0|2,0,0]=4 2591 B13R1.1651 C=CCCN1CCCC(CC1)(C)O 269982a_100000723723_100000754431 [0,1,0,1,0,0|2,0,0]=4 2592 B13R1.1651 C=CCCN1CCCC(CC1)(C)O 34a_100000723723_100000754431 [0,1,0,1,0,0|2,0,0]=4 2593 B13R1.1651 CC=CCN1CCCC(CC1)(C)O 2230a_100000723723_100000070051 [0,1,0,1,0,0|2,0,0]=4 2594 B13R1.1651 CC=CCN1CCCC(CC1)(C)O 34a_100000723723_100000070051 [0,1,0,1,0,0|2,0,0]=4 2595 B13R1.2506 C=CCCC(C)N1CCC(C1)(C)O 270004a_100000718628_100000762624 [0,1,0,1,0,0|2,0,0]=4 2596 B13R1.2549 C=CCCC(C)N[C@H]1C[C@@](C1)(C)O 270004a_100121572536_100000762624 [0,1,0,1,0,0|2,0,0]=4 2597 B13R1.3523 CC(C)(O)CCCN1CC=CCC1 2230a_100000698166_100009888830 [0,1,0,1,0,0|2,0,0]=4 2598 B13R1.3523 CC(C)(O)CCCN1CC=CCC1 269982a_100000698166_100009888830 [0,1,0,1,0,0|2,0,0]=4 2599 B13R1.3523 CC(C)(O)CCCN1CC=CCC1 34a_100000698166_100009888830 [0,1,0,1,0,0|2,0,0]=4 2600 B13R1.3523 CC(C)(O)CCOC1CC=CCC1 34a_100000073881_100000702414 [0,1,0,1,0,0|2,0,0]=4 2601 B13R1.3523 CC(C)(O)CNCC1CC=CCC1 270004a_100000751335_100000189434 [0,1,0,1,0,0|2,0,0]=4 2602 B13R1.3523 CC(C)(O)COCC1CC=CCC1 34a_100000210713_100000764493 [0,1,0,1,0,0|2,0,0]=4 2603 B13R1.1512 C=CCN(C)C1CCC(CC1)(C)O 270004a_100000225617_100012184276 [0,1,0,1,0,0|2,0,0]=4 2604 B13R1.252 CC(C)(CO)COCC1CC=CC1 34a_100000688395_100009813988 [0,1,0,1,0,0|2,0,0]=4 2605 B13R1.252 COC(C)(C)COCC1CC=CC1 34a_100000688395_100000701081 [0,1,0,1,0,0|2,0,0]=4 2606 B13R1.269 C=C1CC(C1)CNCC(C)(C)CO 34a_100102567296_100009813988 [0,1,0,1,0,0|2,0,0]=4 2607 B13R1.269 C=C1CC(C1)CNCC(C)(C)OC 34a_100102567296_100000701081 [0,1,0,1,0,0|2,0,0]=4 2608 B13R1.269 C=C1CC(C1)COCC(C)(C)CO 34a_100011011225_100009813988 [0,1,0,1,0,0|2,0,0]=4 2609 B13R1.269 C=C1CC(C1)COCC(C)(C)OC 34a_100011011225_100000701081 [0,1,0,1,0,0|2,0,0]=4 2610 B13R1.269 CC(C)(CCl)COCC1CC(=O)C1 7a_100011217199_100009874392 [0,1,0,1,0,0|2,0,0]=4 2611 B13R1.269 CC(C)(CO)CNCC1CC(=O)C1 2230a_100020635058_100009874392 [0,1,0,1,0,0|1,0,0]=3 2612 B13R1.269 CC(C)(CO)COCC1CC(=O)C1 34a_100000101936_100009813988 [0,1,0,1,0,0|1,0,0]=3 2613 B13R1.269 CC(C)(CO)CSCC1CC(=O)C1 62a_100009813988_100009874392 [0,1,0,1,0,0|1,0,0]=3 2614 B13R1.269 CC(C)(CO)CSCC1CC(=O)C1 62a_100009874392_100009813988 [0,1,0,1,0,0|1,0,0]=3 2615 B13R1.269 CCC(C)(C)COCC1CC(=O)C1 7a_100000765029_100009874392 [0,1,0,1,0,0|2,0,0]=4 2616 B13R1.269 COC(C)(C)CNCC1CC(=O)C1 2230a_100000763424_100009874392 [0,1,0,1,0,0|1,0,0]=3 2617 B13R1.269 COC(C)(C)COCC1CC(=O)C1 34a_100000101936_100000701081 [0,1,0,1,0,0|1,0,0]=3 2618 B13R1.269 COC(C)(C)CSCC1CC(=O)C1 62a_100000701081_100009874392 [0,1,0,1,0,0|1,0,0]=3 2619 B13R1.269 COC(C)(C)CSCC1CC(=O)C1 62a_100009874392_100000701081 [0,1,0,1,0,0|1,0,0]=3 2620 B13R1.2554 C=CCC(C)COCC1(COC1)C 34a_100009832082_100009817586 [0,1,0,1,0,0|2,0,0]=4 2621 B13R1.2554 C=CCC(C)COCC1(COC1)C 7a_100009832082_100009817586 [0,1,0,1,0,0|2,0,0]=4 2622 B13R1.4126 CC1CC(C(=O)O1)NC(C)(C)CO 2230a_100000210608_200000216747 [0,1,0,1,0,0|2,0,0]=4 2623 B13R1.5525 C=CCC(C)COCC1(CO1)CC 34a_100009832082_200000139556 [0,1,0,1,0,0|2,0,0]=4 2624 B13R1.5525 C=CCC(C)COCC1(CO1)CC 7a_100009832082_200000139556 [0,1,0,1,0,0|2,0,0]=4 2625 B13R1.8211 C=CCN1CCCC(CC1)(O)CO 2230a_200015185645_100000210623 [0,1,0,1,0,0|2,0,0]=4 2626 B13R1.8211 C=CCN1CCCC(CC1)(O)CO 269982a_200015185645_100000210623 [0,1,0,1,0,0|2,0,0]=4 2627 B13R1.8211 O=CCN1CCCC(CC1)(O)CO 2230a_200015185645_200015260668 [0,1,0,1,0,0|1,0,0]=3 2628 B13R1.8211 O=CCN1CCCC(CC1)(O)CO 269982a_200015185645_200015260668 [0,1,0,1,0,0|1,0,0]=3 2629 B13R2.3841 C=C1CC(C1)CNCC2(CO2)C 34a_100102567296_100000760498 [0,0,0,2,0,0|2,0,0]=4 2630 B13R2.3841 C=C1CC(C1)COCC2(CO2)C 34a_100011011225_100000760498 [0,0,0,2,0,0|2,0,0]=4 2631 B13R2.3841 CC1(CC1)CNCC2CC(=O)C2 2230a_100000766693_100009874392 [0,0,0,2,0,0|2,0,0]=4 2632 B13R2.3841 CC1(CC1)COCC2CC(=O)C2 7a_100000698024_100009874392 [0,0,0,2,0,0|2,0,0]=4 2633 B13R2.3841 CC1(CO1)COCC2CC(=O)C2 34a_100000101936_100000760498 [0,0,0,2,0,0|1,0,0]=3 2634 B13R2.3841 CC1(CO1)CSCC2CC(=O)C2 62a_100000760498_100009874392 [0,0,0,2,0,0|1,0,0]=3 2635 B13R2.3841 CC1(CO1)CSCC2CC(=O)C2 62a_100009874392_100000760498 [0,0,0,2,0,0|1,0,0]=3 2636 B13R2.3841 O=C1CC(C1)CNCC2(CC2)O 2230a_100011936951_100009874392 [0,0,0,2,0,0|1,0,0]=3 2637 B13R2.3841 O=C1CC(C1)COCC2(CC2)F 7a_200000703853_100009874392 [0,0,0,2,0,0|2,0,0]=4 2638 B13R2.5291 CC1(CN(C1)CC2CC(=O)C2)C 2230a_100000753659_100009874392 [0,0,0,2,0,0|2,0,0]=4 2639 B13R2.5291 CC1(CN(C1)CC2CC(=O)C2)C 269982a_100000753659_100009874392 [0,0,0,2,0,0|2,0,0]=4 2640 B13R2.5291 CC1(CN(C1)CC2CC(=O)C2)F 2230a_100000696199_100009874392 [0,0,0,2,0,0|2,0,0]=4 2641 B13R2.5291 CC1(CN(C1)CC2CC(=O)C2)F 269982a_100000696199_100009874392 [0,0,0,2,0,0|2,0,0]=4 2642 B13R2.5291 CC1(CN(C1)CC2CC(=O)C2)O 2230a_100000718560_100009874392 [0,0,0,2,0,0|1,0,0]=3 2643 B13R2.5291 CC1(CN(C1)CC2CC(=O)C2)O 269982a_100000718560_100009874392 [0,0,0,2,0,0|1,0,0]=3 2644 B13R2.11698 CC1(CCN(C1)C2CC(=O)C2)C 269982a_100000764714_100009894365 [0,0,0,2,0,0|2,0,0]=4 2645 B13R2.11698 CC1(CCN(C1)C2CC(=O)C2)O 269982a_100000718628_100009894365 [0,0,0,2,0,0|1,0,0]=3 2646 B13R2.3205 CC1(CO1)COCC2CC=CC2 34a_100000688395_100000760498 [0,0,0,2,0,0|2,0,0]=4 2647 B9R0.48 C=CCC(C)COC(C)C 34a_100009832082_100000210206 [1,0,0,0,1,0|2,0,0]=4 2648 B9R0.48 C=CCC(C)COC(C)C 7a_100009832082_100000210206 [1,0,0,0,1,0|2,0,0]=4 2649 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000225617_100000210312 [1,0,0,0,1,0|2,0,0]=4 2650 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000742789_100000210623 [1,0,0,0,1,0|2,0,0]=4 2651 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000225617_100000210312 [1,0,0,0,1,0|2,0,0]=4 2652 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000742789_100000210623 [1,0,0,0,1,0|2,0,0]=4 2653 B9R0.48 C=CCN(C)CCC(C)O 2230a_100000225617_100012276601 [1,0,0,0,1,0|2,0,0]=4 2654 B9R0.48 C=CCN(C)CCC(C)O 269982a_100000225617_100012276601 [1,0,0,0,1,0|2,0,0]=4 2655 B9R0.48 C=CC[C@@H](C)OCC(C)C 34a_100000731007_100000210624 [1,0,0,0,1,0|2,0,0]=4 2656 B9R0.48 C=CC[C@@H](C)OCC(C)C 7a_100000731007_100000210760 [1,0,0,0,1,0|2,0,0]=4 2657 B9R0.48 C=CC[C@@H](C)OCC(C)O 34a_100000731007_100011218427 [1,0,0,0,1,0|2,0,0]=4 2658 B9R0.48 C=CC[C@@H](C)OCC(C)O 7a_100000731007_100011218427 [1,0,0,0,1,0|2,0,0]=4 2659 B9R0.48 C=CC[C@@H](C)OC[C@@H](C)O 34a_100000731007_100009817552 [1,0,0,0,1,0|2,0,0]=4 2660 B9R0.48 C=CC[C@@H](C)OC[C@@H](C)O 7a_100000731007_100009817552 [1,0,0,0,1,0|2,0,0]=4 2661 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [1,0,0,0,1,0|1,0,0]=3 2662 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [1,0,0,0,1,0|1,0,0]=3 2663 B9R0.48 CN(C)CCN(C)CC=O 269982a_100000225618_200015260668 [1,0,0,0,1,0|2,0,0]=4 2664 B9R0.21 C=CC(C)OCC(C)(C)O 34a_100000695699_100000764493 [1,0,0,0,1,0|1,0,1]=4 2665 B9R0.21 C=CC(C)SCC(C)(C)O 62a_100011215867_100000764493 [1,0,0,0,1,0|1,0,1]=4 2666 B9R0.21 CC(CF)OCC(C)(C)O 34a_100016041109_100000764493 [1,0,0,0,1,0|2,0,0]=4 2667 B9R0.21 CC(CF)OCC(C)(C)O 7a_100016041109_100000764493 [1,0,0,0,1,0|2,0,0]=4 2668 B9R0.21 CC(CN)OCC(C)(C)O 34a_100000210904_100000764493 [1,0,0,0,1,0|2,0,0]=4 2669 B9R0.21 CC(CO)NCC(C)(C)O 2230a_100000751335_100012180447 [1,0,0,0,1,0|1,0,1]=4 2670 B9R0.21 CC(CO)SCC(C)(C)O 62a_100012180447_100000764493 [1,0,0,0,1,0|1,0,1]=4 2671 B9R0.21 CCC(C)NCC(C)(C)O 2230a_100000751335_100000758301 [1,0,0,0,1,0|1,0,1]=4 2672 B9R0.21 CCC(C)OCC(C)(C)O 7a_100000210228_100000764493 [1,0,0,0,1,0|1,0,1]=4 2673 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000758301_100000764493 [1,0,0,0,1,0|1,0,1]=4 2674 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000764493_100000758301 [1,0,0,0,1,0|1,0,1]=4 2675 B9R0.21 CCN(C)CCC(C)(C)O 2230a_100000225621_100000702414 [1,0,0,0,1,0|1,0,1]=4 2676 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100000764493_100016084084 [1,0,0,0,1,0|1,0,1]=4 2677 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100016084084_100000764493 [1,0,0,0,1,0|1,0,1]=4 2678 B9R0.44 C=CCN(C)CC(C)(C)O 2230a_100000755907_100000210623 [0,0,0,0,2,0|2,0,0]=4 2679 B9R0.44 C=CCN(C)CC(C)(C)O 269982a_100000755907_100000210623 [0,0,0,0,2,0|2,0,0]=4 2680 B9R0.44 CN(CC=O)CC(C)(C)C 2230a_100000742839_200015260668 [0,0,0,0,2,0|2,0,0]=4 2681 B9R0.44 CN(CC=O)CC(C)(C)C 269982a_100000742839_200015260668 [0,0,0,0,2,0|2,0,0]=4 2682 B9R0.44 CN(CC=O)CC(C)(C)O 2230a_100000755907_200015260668 [0,0,0,0,2,0|1,0,0]=3 2683 B9R0.44 CN(CC=O)CC(C)(C)O 269982a_100000755907_200015260668 [0,0,0,0,2,0|1,0,0]=3 2684 B11R0.176 C#CCC(C)OCCCC(C)C 34a_100000685586_100011214892 [1,0,0,0,0,1|1,0,1]=4 2685 B11R0.176 C#CCC(C)OCCCC(C)C 7a_100000685586_100011214892 [1,0,0,0,0,1|1,0,1]=4 2686 B11R0.176 C#CCC(C)OCCCC(C)O 34a_100000685586_200000718107 [1,0,0,0,0,1|1,0,1]=4 2687 B11R0.176 C#CCC(C)OCCCC(C)O 7a_100000685586_200000718107 [1,0,0,0,0,1|1,0,1]=4 2688 B11R0.176 C/C=C/C(C)OCCCC(C)C 34a_200102604097_100011214892 [1,0,0,0,0,1|1,0,1]=4 2689 B11R0.176 C/C=C/C(C)OCCCC(C)O 34a_200102604097_200000718107 [1,0,0,0,0,1|1,0,1]=4 2690 B11R0.176 C=CCC(C)COCCC(C)C 34a_100009832082_100000210312 [1,0,0,0,0,1|1,0,0]=3 2691 B11R0.176 C=CCC(C)COCCC(C)C 7a_100009832082_100000210626 [1,0,0,0,0,1|1,0,0]=3 2692 B11R0.176 C=CCC(C)COCCC(C)O 34a_100009832082_100012276601 [1,0,0,0,0,1|1,0,0]=3 2693 B11R0.176 C=CCC(C)COCCC(C)O 7a_100009832082_100012276601 [1,0,0,0,0,1|1,0,0]=3 2694 B11R0.176 C=CCC(C)COCCN(C)C 7a_100009832082_100000755713 [1,0,0,0,0,1|2,0,0]=4 2695 B11R0.176 C=CCC(C)COCOC(C)C 34a_100009832082_100000709892 [1,0,0,0,0,1|2,0,0]=4 2696 B11R0.176 C=CCN(C)CCCCC(C)C 2230a_100000225617_100011216152 [1,0,0,0,0,1|2,0,0]=4 2697 B11R0.176 C=CCN(C)CCCCC(C)C 269982a_100000225617_100011216152 [1,0,0,0,0,1|2,0,0]=4 2698 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 34a_100000731007_100011214892 [1,0,0,0,0,1|1,0,0]=3 2699 B11R0.176 C=CC[C@@H](C)OCCCC(C)C 7a_100000731007_100011214892 [1,0,0,0,0,1|1,0,0]=3 2700 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 34a_100000731007_200000718107 [1,0,0,0,0,1|1,0,0]=3 2701 B11R0.176 C=CC[C@@H](C)OCCCC(C)O 7a_100000731007_200000718107 [1,0,0,0,0,1|1,0,0]=3 2702 B11R0.176 C=CC[C@@H](C)OCCCN(C)C 7a_100000731007_100000757444 [1,0,0,0,0,1|2,0,0]=4 2703 B11R0.176 C=CC[C@@H](C)OCCOC(C)C 34a_100000731007_100000211751 [1,0,0,0,0,1|2,0,0]=4 2704 B11R0.176 C=CC[C@@H](C)OCCOC(C)C 7a_100000731007_100000211751 [1,0,0,0,0,1|2,0,0]=4 2705 B11R0.176 C=CC[C@@H](C)OCCSC(C)C 34a_100000731007_100000730970 [1,0,0,0,0,1|2,0,0]=4 2706 B11R0.176 C=CC[C@@H](C)OCCSC(C)C 7a_100000731007_100000730970 [1,0,0,0,0,1|2,0,0]=4 2707 B11R0.176 C=CC[C@@H](N)COCCC(C)C 34a_100020615467_100000210312 [1,0,0,0,0,1|2,0,0]=4 2708 B11R0.176 C=CC[C@@H](N)COCCC(C)O 34a_100020615467_100012276601 [1,0,0,0,0,1|2,0,0]=4 2709 B11R0.176 CC(C)CCCNC(C)CC#N 2230a_200000737386_100009813641 [1,0,0,0,0,1|1,0,1]=4 2710 B11R0.176 CC(C)CCCNC(C)CCO 2230a_200000737386_100009893172 [1,0,0,0,0,1|0,0,2]=4 2711 B11R0.176 CC(C)CCCNC(C)CCO 34a_200000737386_100009893172 [1,0,0,0,0,1|0,0,2]=4 2712 B11R0.176 CC(C)CCCN[C@@H](C)CC#N 2230a_100016994482_100011214892 [1,0,0,0,0,1|1,0,1]=4 2713 B11R0.176 CC(C)CCCN[C@H](C)CCO 2230a_100000706166_100011214892 [1,0,0,0,0,1|0,0,2]=4 2714 B11R0.176 CC(C)CCCN[C@H](C)CCO 34a_100000706166_100011214892 [1,0,0,0,0,1|0,0,2]=4 2715 B11R0.176 CC(C)CCCOC(C)CC#N 7a_100000210774_100009813641 [1,0,0,0,0,1|1,0,1]=4 2716 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [1,0,0,0,0,1|1,0,1]=4 2717 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [1,0,0,0,0,1|0,0,2]=4 2718 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [1,0,0,0,0,1|0,0,2]=4 2719 B11R0.176 CC(C)CCCSC(C)CC#N 62a_100009813641_100011214892 [1,0,0,0,0,1|1,0,1]=4 2720 B11R0.176 CC(C)CCCSC(C)CC#N 62a_100011214892_100009813641 [1,0,0,0,0,1|1,0,1]=4 2721 B11R0.176 CC(C)CCCSC(C)CCO 62a_100009893172_100011214892 [1,0,0,0,0,1|0,0,2]=4 2722 B11R0.176 CC(C)CCCSC(C)CCO 62a_100011214892_100009893172 [1,0,0,0,0,1|0,0,2]=4 2723 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [1,0,0,0,0,1|1,0,1]=4 2724 B11R0.176 CC(O)CCCN[C@@H](C)CC#N 2230a_100016994482_200000718107 [1,0,0,0,0,1|1,0,1]=4 2725 B11R0.176 CC(O)CCCN[C@H](C)CCO 2230a_100000706166_200000718107 [1,0,0,0,0,1|0,0,2]=4 2726 B11R0.176 CC(O)CCCN[C@H](C)CCO 34a_100000706166_200000718107 [1,0,0,0,0,1|0,0,2]=4 2727 B11R0.176 CC(O)CCCOC(C)CCBr 34a_100012276601_200000718107 [1,0,0,0,0,1|1,0,1]=4 2728 B11R0.176 CC(O)CCCSC(C)CC#N 62a_100009813641_200000718107 [1,0,0,0,0,1|1,0,1]=4 2729 B11R0.176 CC(O)CCCSC(C)CC#N 62a_200000718107_100009813641 [1,0,0,0,0,1|1,0,1]=4 2730 B11R0.176 CC(O)CCCSC(C)CCO 62a_100009893172_200000718107 [1,0,0,0,0,1|0,0,2]=4 2731 B11R0.176 CC(O)CCCSC(C)CCO 62a_200000718107_100009893172 [1,0,0,0,0,1|0,0,2]=4 2732 B11R0.176 CC(O)CCOCC(C)CCN 34a_106354213184_100012276601 [1,0,0,0,0,1|1,0,1]=4 2733 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [1,0,0,0,0,1|1,0,1]=4 2734 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [1,0,0,0,0,1|1,0,1]=4 2735 B11R0.176 CCCC(C)CCOCC(C)C 34a_100011217855_100000210624 [1,0,0,0,0,1|1,0,1]=4 2736 B11R0.176 CCCC(C)CCOCC(C)C 7a_100011217855_100000210760 [1,0,0,0,0,1|1,0,1]=4 2737 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [1,0,0,0,0,1|1,0,1]=4 2738 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [1,0,0,0,0,1|1,0,1]=4 2739 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [1,0,0,0,0,1|1,0,1]=4 2740 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [1,0,0,0,0,1|1,0,1]=4 2741 B11R0.176 CCCC(C)CNCCC(C)C 270004a_100000210545_100000243154 [1,0,0,0,0,1|1,0,1]=4 2742 B11R0.176 CCCC(C)CNCCC(C)O 2230a_200000755665_100011216630 [1,0,0,0,0,1|1,0,1]=4 2743 B11R0.176 CCCC(C)CNCCC(C)O 270004a_200000755665_100000243154 [1,0,0,0,0,1|1,0,1]=4 2744 B11R0.176 CCCC(C)COCCC(C)C 34a_100000210254_100011216630 [1,0,0,0,0,1|1,0,1]=4 2745 B11R0.176 CCCC(C)COCCC(C)C 34a_100000688023_100000210312 [1,0,0,0,0,1|1,0,1]=4 2746 B11R0.176 CCCC(C)COCCC(C)C 7a_100000210254_100011216630 [1,0,0,0,0,1|1,0,1]=4 2747 B11R0.176 CCCC(C)COCCC(C)C 7a_100000688023_100000210626 [1,0,0,0,0,1|1,0,1]=4 2748 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [1,0,0,0,0,1|1,0,1]=4 2749 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [1,0,0,0,0,1|1,0,1]=4 2750 B11R0.176 CCCC(C)CSCCC(C)C 62a_100000210312_100011216630 [1,0,0,0,0,1|1,0,1]=4 2751 B11R0.176 CCCC(C)CSCCC(C)C 62a_100011216630_100000210312 [1,0,0,0,0,1|1,0,1]=4 2752 B11R0.176 CCCC(C)CSCCC(C)O 62a_100011216630_100012276601 [1,0,0,0,0,1|1,0,1]=4 2753 B11R0.176 CCCC(C)CSCCC(C)O 62a_100012276601_100011216630 [1,0,0,0,0,1|1,0,1]=4 2754 B11R0.176 CCCC(C)NCCCC(C)C 2230a_100000741246_100011214892 [1,0,0,0,0,1|1,0,1]=4 2755 B11R0.176 CCCC(C)NCCCC(C)C 2230a_200000737386_100000766640 [1,0,0,0,0,1|1,0,1]=4 2756 B11R0.176 CCCC(C)NCCCC(C)C 270004a_200000737386_100000211909 [1,0,0,0,0,1|1,0,1]=4 2757 B11R0.176 CCCC(C)NCCCC(C)C 34a_200000737386_100000766640 [1,0,0,0,0,1|1,0,1]=4 2758 B11R0.176 CCCC(C)NCCCC(C)O 2230a_100000741246_200000718107 [1,0,0,0,0,1|1,0,1]=4 2759 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [1,0,0,0,0,1|1,0,1]=4 2760 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [1,0,0,0,0,1|1,0,1]=4 2761 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [1,0,0,0,0,1|1,0,1]=4 2762 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [1,0,0,0,0,1|1,0,1]=4 2763 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [1,0,0,0,0,1|1,0,1]=4 2764 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [1,0,0,0,0,1|1,0,1]=4 2765 B11R0.176 CCCC(C)SCCCC(C)C 62a_100000766640_100011214892 [1,0,0,0,0,1|1,0,1]=4 2766 B11R0.176 CCCC(C)SCCCC(C)C 62a_100011214892_100000766640 [1,0,0,0,0,1|1,0,1]=4 2767 B11R0.176 CCCC(C)SCCCC(C)O 62a_100000766640_200000718107 [1,0,0,0,0,1|1,0,1]=4 2768 B11R0.176 CCCC(C)SCCCC(C)O 62a_200000718107_100000766640 [1,0,0,0,0,1|1,0,1]=4 2769 B11R0.176 COCC(C)NCCCC(C)C 2230a_200000737386_100000765312 [1,0,0,0,0,1|2,0,0]=4 2770 B11R0.176 COCC(C)NCCCC(C)C 270004a_200000737386_100000749346 [1,0,0,0,0,1|2,0,0]=4 2771 B11R0.176 COCC(C)NCCCC(C)C 34a_200000737386_100000765312 [1,0,0,0,0,1|2,0,0]=4 2772 B11R0.176 COCC(C)OCCCC(C)C 34a_100000210774_100000765312 [1,0,0,0,0,1|2,0,0]=4 2773 B11R0.176 COCC(C)OCCCC(C)C 7a_100000210774_100000765312 [1,0,0,0,0,1|2,0,0]=4 2774 B11R0.176 COCC(C)SCCCC(C)C 62a_100000765312_100011214892 [1,0,0,0,0,1|2,0,0]=4 2775 B11R0.176 COCC(C)SCCCC(C)C 62a_100011214892_100000765312 [1,0,0,0,0,1|2,0,0]=4 2776 B11R0.176 COCC(C)SCCCC(C)O 62a_100000765312_200000718107 [1,0,0,0,0,1|2,0,0]=4 2777 B11R0.176 COCC(C)SCCCC(C)O 62a_200000718107_100000765312 [1,0,0,0,0,1|2,0,0]=4 2778 B11R0.176 COC[C@@H](C)NCCCC(C)C 2230a_100000764878_100011214892 [1,0,0,0,0,1|2,0,0]=4 2779 B11R0.176 COC[C@@H](C)NCCCC(C)O 2230a_100000764878_200000718107 [1,0,0,0,0,1|2,0,0]=4 2780 B11R0.176 COC[C@@H](C)OCCCC(C)C 34a_100011934205_100011214892 [1,0,0,0,0,1|2,0,0]=4 2781 B11R0.176 COC[C@@H](C)OCCCC(C)O 34a_100011934205_200000718107 [1,0,0,0,0,1|2,0,0]=4 2782 B11R0.176 CSCC(C)NCCCC(C)C 270004a_200000737386_100011216314 [1,0,0,0,0,1|2,0,0]=4 2783 B13R0.21 C=CCC(C)COCCCC(C)(C)O 34a_100009832082_100009888830 [0,0,0,0,0,2|1,0,0]=3 2784 B13R0.21 C=CCC(C)COCCCC(C)(C)O 7a_100009832082_100009888830 [0,0,0,0,0,2|1,0,0]=3 2785 B13R0.21 C=CCN(C)CCCCCC(C)(C)O 2230a_100000225617_100010402123 [0,0,0,0,0,2|2,0,0]=4 2786 B13R0.21 C=CCN(C)CCCCCC(C)(C)O 269982a_100000225617_100010402123 [0,0,0,0,0,2|2,0,0]=4 2787 B13R0.21 C=CC[C@@H](N)COCCCC(C)(C)O 34a_100020615467_100009888830 [0,0,0,0,0,2|2,0,0]=4 2788 B13R0.21 CC(CCN)COCCCC(C)(C)O 34a_106354213184_100009888830 [0,0,0,0,0,2|1,0,1]=4 2789 B13R0.21 CCCC(C)CCCOCC(C)(C)O 34a_100011713154_100000764493 [0,0,0,0,0,2|1,0,1]=4 2790 B13R0.21 CCCC(C)CCCOCC(C)(C)O 7a_100011713154_100000764493 [0,0,0,0,0,2|1,0,1]=4 2791 B13R0.21 CCCC(C)CCOCCC(C)(C)O 34a_100011217855_100000702414 [0,0,0,0,0,2|1,0,1]=4 2792 B13R0.21 CCCC(C)CCOCCC(C)(C)O 7a_100011217855_100000702414 [0,0,0,0,0,2|1,0,1]=4 2793 B13R0.21 CCCC(C)COCCCC(C)(C)O 34a_100000688023_100009888830 [0,0,0,0,0,2|1,0,1]=4 2794 B13R0.21 CCCC(C)COCCCC(C)(C)O 7a_100000688023_100009888830 [0,0,0,0,0,2|1,0,1]=4 2795 B13R0.21 CCCC(C)CSCCCC(C)(C)O 62a_100009888830_100011216630 [0,0,0,0,0,2|1,0,1]=4 2796 B13R0.21 CCCC(C)CSCCCC(C)(C)O 62a_100011216630_100009888830 [0,0,0,0,0,2|1,0,1]=4