0 B10R0.60 C#CC(C)NCCC(C)(C)C 2230a_100000707721_100000755188 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.60 C#CC(C)NCCC(C)(C)C 34a_100000707721_100000755188 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.60 C#CC(C)NCCC(C)(C)O 2230a_100000707721_100000702414 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.60 C#CC(C)NCCC(C)(C)O 34a_100000707721_100000702414 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.60 C#CC(C)SCCC(C)(C)C 62a_200000035995_100000755188 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.60 C#CC(C)SCCC(C)(C)O 62a_200000035995_100000702414 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.60 C#C[C@@H](C)OCCC(C)(C)C 34a_100009815206_100000755188 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.60 C#C[C@@H](C)OCCC(C)(C)C 7a_100009815206_100000755188 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.60 C#C[C@@H](C)OCCC(C)(C)O 34a_100009815206_100000702414 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.60 C#C[C@@H](C)OCCC(C)(C)O 7a_100009815206_100000702414 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.60 C=CC(=O)CCC[N+](C)(C)C 1458a_100000185746_100016990835 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.60 C=CC(=O)CCC[Si](C)(C)C 1458a_100000185746_100011219597 [0,0,0,0,0,0|2,1,1]=4 12 B10R0.60 C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000185746 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.60 C=CC(=O)NCCC(C)(C)C 240690a_100000738805_200121576911 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.60 C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000185746 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.60 C=CC(=O)NCCC(C)(C)F 240690a_100016253952_200121576911 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.60 C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000185746 [0,0,0,0,0,0|2,0,1]=3 17 B10R0.60 C=CC(C)COCC(C)(C)C 34a_100011215527_100011219605 [0,0,0,0,0,0|2,0,0]=2 18 B10R0.60 C=CC(C)COCC(C)(C)F 34a_100011215527_100011997219 [0,0,0,0,0,0|2,0,0]=2 19 B10R0.60 C=CC(C)COCC(C)(C)O 34a_100011215527_100000764493 [0,0,0,0,0,0|1,0,0]=1 20 B10R0.60 C=CC(C)COCC(C)(C)O 7a_100011215527_100000764493 [0,0,0,0,0,0|1,0,0]=1 21 B10R0.60 C=CC(C)COC[Si](C)(C)C 7a_100011215527_100000233785 [0,0,0,0,0,0|2,1,0]=3 22 B10R0.60 C=CC(C)OCCC(C)(C)C 34a_100000695699_100000755188 [0,0,0,0,0,0|2,0,0]=2 23 B10R0.60 C=CC(C)OCCC(C)(C)O 34a_100000695699_100000702414 [0,0,0,0,0,0|1,0,0]=1 24 B10R0.60 C=CC(C)OCCC(F)(F)F 34a_100000695699_100011219754 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.60 C=CC(C)OCCS(=O)(=O)C 34a_100000695699_100000731031 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.60 C=CC(C)OCC[N+](C)(C)C 34a_100000695699_100000085578 [0,0,0,0,0,0|3,0,0]=3 27 B10R0.60 C=CC(C)OCC[Si](C)(C)C 34a_100000695699_200000733723 [0,0,0,0,0,0|2,1,0]=3 28 B10R0.60 C=CC(C)SCCC(C)(C)C 62a_100011215867_100000755188 [0,0,0,0,0,0|2,0,0]=2 29 B10R0.60 C=CC(C)SCCC(C)(C)O 62a_100011215867_100000702414 [0,0,0,0,0,0|1,0,0]=1 30 B10R0.60 C=CC(C)SCCC(F)(F)F 62a_100011215867_100011219754 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.60 C=CC(C)SCCS(=O)(=O)C 62a_100011215867_100000230027 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.60 C=CC(C)SCC[N+](C)(C)C 62a_100011215867_100000085578 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.60 C=CC(C)SCC[Si](C)(C)C 62a_100011215867_200000733723 [0,0,0,0,0,0|2,1,0]=3 34 B10R0.60 C=CC(O)CNCC(C)(C)C 2230a_100000743828_100000730141 [0,0,0,0,0,0|3,0,0]=3 35 B10R0.60 C=CC(O)CNCC(C)(C)F 2230a_100020643315_100000730141 [0,0,0,0,0,0|3,0,0]=3 36 B10R0.60 C=CC(O)CNCC(C)(C)O 2230a_100000751335_100000730141 [0,0,0,0,0,0|2,0,0]=2 37 B10R0.60 C=CC(O)COCC(C)(C)F 34a_100000716592_100000730141 [0,0,0,0,0,0|3,0,0]=3 38 B10R0.60 C=CC(O)COCC(C)(F)F 34a_100000068830_100000730141 [0,0,0,0,0,0|4,0,0]=4 39 B10R0.60 C=CC(O)CSCC(C)(C)C 62a_100000730141_100011219605 [0,0,0,0,0,0|3,0,0]=3 40 B10R0.60 C=CC(O)CSCC(C)(C)C 62a_100011219605_100000730141 [0,0,0,0,0,0|3,0,0]=3 41 B10R0.60 C=CC(O)CSCC(C)(C)F 62a_100000730141_100011997219 [0,0,0,0,0,0|3,0,0]=3 42 B10R0.60 C=CC(O)CSCC(C)(C)F 62a_100011997219_100000730141 [0,0,0,0,0,0|3,0,0]=3 43 B10R0.60 C=CC(O)CSCC(C)(C)O 62a_100000730141_100000764493 [0,0,0,0,0,0|2,0,0]=2 44 B10R0.60 C=CC(O)CSCC(C)(C)O 62a_100000764493_100000730141 [0,0,0,0,0,0|2,0,0]=2 45 B10R0.60 C=CC(O)CSC[N+](C)(C)C 62a_100000730141_200000036245 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.60 C=CC(O)CSC[N+](C)(C)C 62a_200000036245_100000730141 [0,0,0,0,0,0|4,0,0]=4 47 B10R0.60 C=CC(O)CSC[Si](C)(C)C 62a_100000037933_100000730141 [0,0,0,0,0,0|3,1,0]=4 48 B10R0.60 C=CC(O)CSC[Si](C)(C)C 62a_100000730141_100000037933 [0,0,0,0,0,0|3,1,0]=4 49 B10R0.60 C=C[C@H](N)COCC(C)(C)C 34a_100016989147_100011219605 [0,0,0,0,0,0|3,0,0]=3 50 B10R0.60 C=C[C@H](N)COCC(C)(C)F 34a_100016989147_100011997219 [0,0,0,0,0,0|3,0,0]=3 51 B10R0.60 C=C[C@H](N)COCC(C)(C)O 34a_100016989147_100000764493 [0,0,0,0,0,0|2,0,0]=2 52 B10R0.60 CC(C#N)NCCC(C)(C)C 2230a_100000737613_100000755188 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.60 CC(C#N)NCCC(C)(C)C 2230a_100000738805_100000184139 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.60 CC(C#N)NCCC(C)(C)F 2230a_100016253952_100000184139 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.60 CC(C#N)NCCC(C)(C)O 2230a_100000737613_100000702414 [0,0,0,0,0,0|2,0,1]=3 56 B10R0.60 CC(C#N)OCCC(C)(C)C 34a_100011218135_100000755188 [0,0,0,0,0,0|3,0,1]=4 57 B10R0.60 CC(C#N)OCCC(C)(C)C 7a_100000765024_100000703298 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.60 CC(C#N)OCCC(C)(C)O 34a_100011218135_100000702414 [0,0,0,0,0,0|2,0,1]=3 59 B10R0.60 CC(C#N)SCCC(C)(C)C 62a_100000703298_100000755188 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.60 CC(C#N)SCCC(C)(C)C 62a_100000755188_100000703298 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.60 CC(C#N)SCCC(C)(C)O 62a_100000702414_100000703298 [0,0,0,0,0,0|2,0,1]=3 62 B10R0.60 CC(C#N)SCCC(C)(C)O 62a_100000703298_100000702414 [0,0,0,0,0,0|2,0,1]=3 63 B10R0.60 CC(C)(O)CCSC(F)C#N 62a_100000702414_200000117898 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.60 CC(C)(O)CCSC(F)C#N 62a_200000117898_100000702414 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.60 CC(C)(O)CNCC(O)CO 2230a_100000751335_100011219619 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.60 CC(C)(O)CNC[C@@H](F)CO 34a_100015665980_100000764493 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.60 CC(C)(O)CNC[C@@H](O)CF 2230a_100000751335_100015614560 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.60 CC(C)(O)CNC[C@@H](O)CO 2230a_100000751335_100009815848 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.60 CC(C)(O)COCC(Cl)CCl 34a_100000033668_100000764493 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.60 CC(C)(O)COC[C@H](F)CN 34a_100015665980_100000764493 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100000764493_100011219619 [0,0,0,0,0,0|3,0,1]=4 72 B10R0.60 CC(C)(O)CSCC(O)CO 62a_100011219619_100000764493 [0,0,0,0,0,0|3,0,1]=4 73 B10R0.60 CC(C)(O)CSC[C@@H](O)CF 62a_100000764493_100015614560 [0,0,0,0,0,0|3,0,1]=4 74 B10R0.60 CC(C)(O)CSC[C@@H](O)CF 62a_100015614560_100000764493 [0,0,0,0,0,0|3,0,1]=4 75 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100000764493_100009815848 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.60 CC(C)(O)CSC[C@@H](O)CO 62a_100009815848_100000764493 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.60 CC(CF)OCCC(C)(C)C 34a_100016041109_100000755188 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.60 CC(CF)OCCC(C)(C)C 7a_100016041109_100000755188 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.60 CC(CF)OCCC(C)(C)O 34a_100016041109_100000702414 [0,0,0,0,0,0|2,0,1]=3 80 B10R0.60 CC(CF)OCCC(C)(C)O 7a_100016041109_100000702414 [0,0,0,0,0,0|2,0,1]=3 81 B10R0.60 CC(CN)COCC(C)(C)C 34a_100000744482_100011219605 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.60 CC(CN)COCC(C)(C)F 34a_100000744482_100011997219 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.60 CC(CN)COCC(C)(C)O 34a_100000744482_100000764493 [0,0,0,0,0,0|2,0,1]=3 84 B10R0.60 CC(CN)OCCC(C)(C)C 34a_100000210904_100000755188 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.60 CC(CN)OCCC(C)(C)O 34a_100000210904_100000702414 [0,0,0,0,0,0|2,0,1]=3 86 B10R0.60 CC(CO)CCNC(C)(C)C 34a_106354213184_100000210625 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.60 CC(CO)CNCC(C)(C)C 34a_100000744482_100011219605 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.60 CC(CO)CNCC(C)(C)F 34a_100000744482_100011997219 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.60 CC(CO)CNCC(C)(C)O 34a_100000744482_100000764493 [0,0,0,0,0,0|2,0,1]=3 90 B10R0.60 CC(CO)NCCC(C)(C)C 2230a_100000738805_100012180447 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.60 CC(CO)NCCC(C)(C)F 2230a_100016253952_100012180447 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.60 CC(CO)OCCC(C)(C)C 7a_100000765024_100012180447 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.60 CC(CO)SCCC(C)(C)C 62a_100012180447_100000755188 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.60 CC(CO)SCCC(C)(C)O 62a_100012180447_100000702414 [0,0,0,0,0,0|2,0,1]=3 95 B10R0.60 CCC(C)CNCC(C)(C)C 2230a_100000743828_100000748023 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100000743828_100000243153 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.60 CCC(C)CNCC(C)(C)C 270004a_100020588543_100011204126 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.60 CCC(C)CNCC(C)(C)F 2230a_100020643315_100000748023 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.60 CCC(C)CNCC(C)(C)F 270004a_100020643315_100000243153 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.60 CCC(C)CNCC(C)(C)O 2230a_100000751335_100000748023 [0,0,0,0,0,0|1,0,2]=3 101 B10R0.60 CCC(C)CNCC(C)(C)O 270004a_100000751335_100000243153 [0,0,0,0,0,0|1,0,2]=3 102 B10R0.60 CCC(C)COCC(C)(C)F 34a_100000716592_100000748023 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100000748023_100011219605 [0,0,0,0,0,0|2,0,2]=4 104 B10R0.60 CCC(C)CSCC(C)(C)C 62a_100011219605_100000748023 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100000748023_100011997219 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.60 CCC(C)CSCC(C)(C)F 62a_100011997219_100000748023 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000748023_100000764493 [0,0,0,0,0,0|1,0,2]=3 108 B10R0.60 CCC(C)CSCC(C)(C)O 62a_100000764493_100000748023 [0,0,0,0,0,0|1,0,2]=3 109 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000209981_100000755188 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.60 CCC(C)NCCC(C)(C)C 2230a_100000738805_100000758301 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.60 CCC(C)NCCC(C)(C)F 2230a_100016253952_100000758301 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.60 CCC(C)NCCC(C)(C)O 2230a_100000209981_100000702414 [0,0,0,0,0,0|1,0,2]=3 113 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000210228_100000755188 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000765024_100000758301 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [0,0,0,0,0,0|1,0,2]=3 116 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000755188_100000758301 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.60 CCC(C)SCCC(C)(C)C 62a_100000758301_100000755188 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000702414_100000758301 [0,0,0,0,0,0|1,0,2]=3 119 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000758301_100000702414 [0,0,0,0,0,0|1,0,2]=3 120 B10R0.60 CCC(O)CNCC(C)(C)O 2230a_100000751335_100011218378 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100000764493_100011218378 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.60 CCC(O)CSCC(C)(C)O 62a_100011218378_100000764493 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.60 CCN(C)CCCC(C)(C)O 2230a_100000225621_100009888830 [0,0,0,0,0,0|1,0,2]=3 124 B10R0.60 CCN(C)CCCC(C)(C)O 269982a_100000225621_100009888830 [0,0,0,0,0,0|1,0,2]=3 125 B10R0.60 CC[C@H](C)CNCC(C)(C)C 2230a_100000743828_100009816398 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.60 CC[C@H](C)CNCC(C)(C)F 2230a_100020643315_100009816398 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.60 CC[C@H](C)CNCC(C)(C)O 2230a_100000751335_100009816398 [0,0,0,0,0,0|1,0,2]=3 128 B10R0.60 CC[C@H](C)COCC(C)(C)F 34a_100000716592_100009816398 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.60 CC[C@H](C)COCC(C)(C)O 7a_100009816381_100000764493 [0,0,0,0,0,0|1,0,2]=3 130 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100009816398_100011219605 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.60 CC[C@H](C)CSCC(C)(C)C 62a_100011219605_100009816398 [0,0,0,0,0,0|2,0,2]=4 132 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100009816398_100011997219 [0,0,0,0,0,0|2,0,2]=4 133 B10R0.60 CC[C@H](C)CSCC(C)(C)F 62a_100011997219_100009816398 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100000764493_100009816398 [0,0,0,0,0,0|1,0,2]=3 135 B10R0.60 CC[C@H](C)CSCC(C)(C)O 62a_100009816398_100000764493 [0,0,0,0,0,0|1,0,2]=3 136 B10R0.60 COC(C)COCC(C)(C)C 34a_100000690652_100011219605 [0,0,0,0,0,0|3,0,1]=4 137 B10R0.60 COC(C)COCC(C)(C)F 34a_100000690652_100011997219 [0,0,0,0,0,0|3,0,1]=4 138 B10R0.60 COC(C)COCC(C)(C)O 34a_100000690652_100000764493 [0,0,0,0,0,0|2,0,1]=3 139 B10R0.60 COC(C)SCCC(C)(C)C 62a_100000755188_100009879195 [0,0,0,0,0,0|3,0,1]=4 140 B10R0.60 COC(C)SCCC(C)(C)C 62a_100009879195_100000755188 [0,0,0,0,0,0|3,0,1]=4 141 B10R0.60 COC(C)SCCC(C)(C)O 62a_100000702414_100009879195 [0,0,0,0,0,0|2,0,1]=3 142 B10R0.60 COC(C)SCCC(C)(C)O 62a_100009879195_100000702414 [0,0,0,0,0,0|2,0,1]=3 143 B10R0.60 CO[C@H](C)CNCC(C)(C)C 270004a_100020591295_100011204126 [0,0,0,0,0,0|3,0,1]=4 144 B10R0.60 C[C@@H](CO)CNCC(C)(C)C 2230a_100000743828_100000059175 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.60 C[C@@H](CO)CNCC(C)(C)F 2230a_100020643315_100000059175 [0,0,0,0,0,0|3,0,1]=4 146 B10R0.60 C[C@@H](CO)CNCC(C)(C)O 2230a_100000751335_100000059175 [0,0,0,0,0,0|2,0,1]=3 147 B10R0.60 C[C@@H](CO)COCC(C)(C)F 34a_100000716592_100000059175 [0,0,0,0,0,0|3,0,1]=4 148 B10R0.60 C[C@@H](CO)CSCC(C)(C)C 62a_100000059175_100011219605 [0,0,0,0,0,0|3,0,1]=4 149 B10R0.60 C[C@@H](CO)CSCC(C)(C)C 62a_100011219605_100000059175 [0,0,0,0,0,0|3,0,1]=4 150 B10R0.60 C[C@@H](CO)CSCC(C)(C)F 62a_100000059175_100011997219 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.60 C[C@@H](CO)CSCC(C)(C)F 62a_100011997219_100000059175 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.60 C[C@@H](CO)CSCC(C)(C)O 62a_100000059175_100000764493 [0,0,0,0,0,0|2,0,1]=3 153 B10R0.60 C[C@@H](CO)CSCC(C)(C)O 62a_100000764493_100000059175 [0,0,0,0,0,0|2,0,1]=3 154 B10R0.60 C[C@H](CO)NCCC(C)(C)C 2230a_100000737577_100000755188 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.60 C[C@H](CO)NCCC(C)(C)O 2230a_100000737577_100000702414 [0,0,0,0,0,0|2,0,1]=3 156 B10R0.60 C[C@H](CO)SCCC(C)(C)C 62a_100000755188_100016084084 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.60 C[C@H](CO)SCCC(C)(C)C 62a_100016084084_100000755188 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100000702414_100016084084 [0,0,0,0,0,0|2,0,1]=3 159 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100016084084_100000702414 [0,0,0,0,0,0|2,0,1]=3 160 B9R0.1 C#CC(C)NCCC(C)C 2230a_100000707721_100000210312 [1,0,0,0,0,0|1,0,2]=4 161 B9R0.1 C#CC(C)NCCC(C)C 34a_100000707721_100000210312 [1,0,0,0,0,0|1,0,2]=4 162 B9R0.1 C#CC(C)NCCC(C)O 2230a_100000707721_100012276601 [1,0,0,0,0,0|1,0,2]=4 163 B9R0.1 C#CC(C)NCCC(C)O 34a_100000707721_100012276601 [1,0,0,0,0,0|1,0,2]=4 164 B9R0.1 C#CC(C)OCCC(C)C 34a_100000210254_200000035995 [1,0,0,0,0,0|1,0,2]=4 165 B9R0.1 C#CC(C)SCCC(C)C 62a_200000035995_100000210312 [1,0,0,0,0,0|1,0,2]=4 166 B9R0.1 C#CC(C)SCCC(C)O 62a_200000035995_100012276601 [1,0,0,0,0,0|1,0,2]=4 167 B9R0.1 C#C[C@@H](C)OCCC(C)C 34a_100009815206_100000210312 [1,0,0,0,0,0|1,0,2]=4 168 B9R0.1 C#C[C@@H](C)OCCC(C)C 7a_100009815206_100000210626 [1,0,0,0,0,0|1,0,2]=4 169 B9R0.1 C#C[C@@H](C)OCCC(C)O 34a_100009815206_100012276601 [1,0,0,0,0,0|1,0,2]=4 170 B9R0.1 C#C[C@@H](C)OCCC(C)O 7a_100009815206_100012276601 [1,0,0,0,0,0|1,0,2]=4 171 B9R0.1 C=CC(=NNCC(C)O)C 4a_200000730056_200015361842 [1,0,0,0,0,0|2,0,1]=4 172 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [1,0,0,0,0,0|1,0,1]=3 173 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [1,0,0,0,0,0|1,0,1]=3 174 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [1,0,0,0,0,0|2,0,1]=4 175 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [1,0,0,0,0,0|2,0,1]=4 176 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [1,0,0,0,0,0|2,0,1]=4 177 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [1,0,0,0,0,0|2,0,1]=4 178 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [1,0,0,0,0,0|2,0,1]=4 179 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [1,0,0,0,0,0|2,0,1]=4 180 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [1,0,0,0,0,0|1,0,2]=4 181 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [1,0,0,0,0,0|1,0,2]=4 182 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [1,0,0,0,0,0|1,0,0]=2 183 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [1,0,0,0,0,0|1,0,0]=2 184 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [1,0,0,0,0,0|1,0,0]=2 185 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [1,0,0,0,0,0|1,0,0]=2 186 B9R0.1 C=CC(C)COCC(F)F 34a_100011215527_100011934356 [1,0,0,0,0,0|3,0,0]=4 187 B9R0.1 C=CC(C)COCC(F)F 7a_100011215527_100011934356 [1,0,0,0,0,0|3,0,0]=4 188 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [1,0,0,0,0,0|1,0,0]=2 189 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [1,0,0,0,0,0|1,0,0]=2 190 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [1,0,0,0,0,0|1,0,2]=4 191 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [1,0,0,0,0,0|1,0,2]=4 192 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [1,0,0,0,0,0|1,0,0]=2 193 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [1,0,0,0,0,0|1,0,0]=2 194 B9R0.1 C=CC(C)OCOC(C)C 34a_100000695699_100000709892 [1,0,0,0,0,0|2,0,0]=3 195 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [1,0,0,0,0,0|1,0,2]=4 196 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [1,0,0,0,0,0|1,0,2]=4 197 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [1,0,0,0,0,0|1,0,2]=4 198 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [1,0,0,0,0,0|1,0,0]=2 199 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [1,0,0,0,0,0|1,0,0]=2 200 B9R0.1 C=CC(C)SCCN(C)C 62a_100011215867_100000755713 [1,0,0,0,0,0|2,0,0]=3 201 B9R0.1 C=CC(C)SCOC(C)C 62a_100011215867_100000709892 [1,0,0,0,0,0|2,0,0]=3 202 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [1,0,0,0,0,0|2,0,0]=3 203 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [1,0,0,0,0,0|2,0,0]=3 204 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [1,0,0,0,0,0|2,0,0]=3 205 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [1,0,0,0,0,0|2,0,0]=3 206 B9R0.1 C=CC(O)COCC(C)Br 34a_100012180447_100000730141 [1,0,0,0,0,0|3,0,0]=4 207 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [1,0,0,0,0,0|2,0,0]=3 208 B9R0.1 C=CC(O)COCC(C)F 34a_100015925927_100000730141 [1,0,0,0,0,0|3,0,0]=4 209 B9R0.1 C=CC(O)COC[C@@H](C)Cl 34a_100016084084_100000730141 [1,0,0,0,0,0|3,0,0]=4 210 B9R0.1 C=CC(O)COC[C@@H](C)N 34a_100000737577_100000730141 [1,0,0,0,0,0|3,0,0]=4 211 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [1,0,0,0,0,0|2,0,0]=3 212 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [1,0,0,0,0,0|2,0,0]=3 213 B9R0.1 C=CC(O)CSCC(C)O 62a_100000730141_100011218427 [1,0,0,0,0,0|2,0,0]=3 214 B9R0.1 C=CC(O)CSCC(C)O 62a_100011218427_100000730141 [1,0,0,0,0,0|2,0,0]=3 215 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100000730141_100009817552 [1,0,0,0,0,0|2,0,0]=3 216 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100009817552_100000730141 [1,0,0,0,0,0|2,0,0]=3 217 B9R0.1 C=C[C@H](N)COCC(C)C 34a_100016989147_100000210624 [1,0,0,0,0,0|2,0,0]=3 218 B9R0.1 C=C[C@H](N)COCC(C)O 34a_100016989147_100011218427 [1,0,0,0,0,0|2,0,0]=3 219 B9R0.1 C=C[C@H](N)COC[C@@H](C)O 34a_100016989147_100009817552 [1,0,0,0,0,0|2,0,0]=3 220 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [1,0,0,0,0,0|1,0,1]=3 221 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,0,0,0,0,0|1,0,1]=3 222 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,0,0,0,0,0|1,0,1]=3 223 B9R0.1 CC(C)CCNC(C)C#N 2230a_100000737613_100000210312 [1,0,0,0,0,0|2,0,1]=4 224 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [1,0,0,0,0,0|2,0,1]=4 225 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [1,0,0,0,0,0|2,0,1]=4 226 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [1,0,0,0,0,0|2,0,1]=4 227 B9R0.1 CC(C)CCOC(C)C#N 34a_100011218135_100000210312 [1,0,0,0,0,0|2,0,1]=4 228 B9R0.1 CC(C)CCOC(C)C#N 7a_100000210254_100000703298 [1,0,0,0,0,0|2,0,1]=4 229 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [1,0,0,0,0,0|2,0,1]=4 230 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [1,0,0,0,0,0|2,0,1]=4 231 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [1,0,0,0,0,0|2,0,1]=4 232 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,0,0,0,0,0|2,0,1]=4 233 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,0,0,0,0,0|2,0,1]=4 234 B9R0.1 CC(C)CCSC(C)C#N 62a_100000210312_100000703298 [1,0,0,0,0,0|2,0,1]=4 235 B9R0.1 CC(C)CCSC(C)C#N 62a_100000703298_100000210312 [1,0,0,0,0,0|2,0,1]=4 236 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [1,0,0,0,0,0|2,0,1]=4 237 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [1,0,0,0,0,0|2,0,1]=4 238 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [1,0,0,0,0,0|2,0,1]=4 239 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [1,0,0,0,0,0|2,0,1]=4 240 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [1,0,0,0,0,0|2,0,1]=4 241 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [1,0,0,0,0,0|2,0,1]=4 242 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [1,0,0,0,0,0|2,0,1]=4 243 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [1,0,0,0,0,0|2,0,1]=4 244 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [1,0,0,0,0,0|2,0,1]=4 245 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [1,0,0,0,0,0|2,0,1]=4 246 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [1,0,0,0,0,0|2,0,1]=4 247 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,0,0,0,0,0|2,0,1]=4 248 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,0,0,0,0,0|2,0,1]=4 249 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [1,0,0,0,0,0|2,0,1]=4 250 B9R0.1 CC(O)CCNC(C)C#N 2230a_100000737613_100012276601 [1,0,0,0,0,0|2,0,1]=4 251 B9R0.1 CC(O)CCNC(C)C#N 2230a_200000755665_100000184139 [1,0,0,0,0,0|2,0,1]=4 252 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [1,0,0,0,0,0|2,0,1]=4 253 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [1,0,0,0,0,0|2,0,1]=4 254 B9R0.1 CC(O)CCOC(C)C#N 34a_100011218135_100012276601 [1,0,0,0,0,0|2,0,1]=4 255 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [1,0,0,0,0,0|2,0,1]=4 256 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [1,0,0,0,0,0|2,0,1]=4 257 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [1,0,0,0,0,0|2,0,1]=4 258 B9R0.1 CC(O)CCSC(C)C#N 62a_100000703298_100012276601 [1,0,0,0,0,0|2,0,1]=4 259 B9R0.1 CC(O)CCSC(C)C#N 62a_100012276601_100000703298 [1,0,0,0,0,0|2,0,1]=4 260 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [1,0,0,0,0,0|2,0,1]=4 261 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [1,0,0,0,0,0|2,0,1]=4 262 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [1,0,0,0,0,0|2,0,1]=4 263 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [1,0,0,0,0,0|2,0,1]=4 264 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [1,0,0,0,0,0|2,0,1]=4 265 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [1,0,0,0,0,0|2,0,1]=4 266 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [1,0,0,0,0,0|2,0,1]=4 267 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,0,0,0,0,0|2,0,1]=4 268 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,0,0,0,0,0|2,0,1]=4 269 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [1,0,0,0,0,0|1,0,2]=4 270 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,0,0,0,0,0|1,0,2]=4 271 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [1,0,0,0,0,0|1,0,2]=4 272 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [1,0,0,0,0,0|1,0,2]=4 273 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [1,0,0,0,0,0|1,0,2]=4 274 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [1,0,0,0,0,0|1,0,2]=4 275 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [1,0,0,0,0,0|1,0,2]=4 276 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [1,0,0,0,0,0|1,0,2]=4 277 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [1,0,0,0,0,0|1,0,2]=4 278 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [1,0,0,0,0,0|1,0,2]=4 279 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [1,0,0,0,0,0|1,0,2]=4 280 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [1,0,0,0,0,0|1,0,2]=4 281 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [1,0,0,0,0,0|1,0,2]=4 282 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [1,0,0,0,0,0|1,0,2]=4 283 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [1,0,0,0,0,0|1,0,2]=4 284 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [1,0,0,0,0,0|1,0,2]=4 285 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [1,0,0,0,0,0|1,0,2]=4 286 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [1,0,0,0,0,0|1,0,2]=4 287 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [1,0,0,0,0,0|1,0,2]=4 288 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,0,0,0,0,0|1,0,2]=4 289 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,0,0,0,0,0|1,0,2]=4 290 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [1,0,0,0,0,0|1,0,2]=4 291 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [1,0,0,0,0,0|1,0,2]=4 292 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,0,0,0,0,0|1,0,2]=4 293 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,0,0,0,0,0|1,0,2]=4 294 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,0,0,0,0,0|1,0,2]=4 295 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [1,0,0,0,0,0|1,0,2]=4 296 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,0,0,0,0,0|1,0,2]=4 297 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,0,0,0,0,0|1,0,2]=4 298 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [1,0,0,0,0,0|1,0,2]=4 299 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [1,0,0,0,0,0|1,0,2]=4 300 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,0,0,0,0,0|1,0,2]=4 301 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,0,0,0,0,0|1,0,2]=4 302 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [1,0,0,0,0,0|1,0,2]=4 303 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [1,0,0,0,0,0|1,0,2]=4 304 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [1,0,0,0,0,0|1,0,2]=4 305 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [1,0,0,0,0,0|1,0,2]=4 306 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [1,0,0,0,0,0|1,0,2]=4 307 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [1,0,0,0,0,0|1,0,2]=4 308 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [1,0,0,0,0,0|1,0,2]=4 309 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [1,0,0,0,0,0|1,0,2]=4 310 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [1,0,0,0,0,0|1,0,2]=4 311 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [1,0,0,0,0,0|1,0,2]=4 312 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [1,0,0,0,0,0|1,0,2]=4 313 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [1,0,0,0,0,0|1,0,2]=4 314 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [1,0,0,0,0,0|1,0,2]=4 315 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [1,0,0,0,0,0|1,0,2]=4 316 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [1,0,0,0,0,0|1,0,2]=4 317 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [1,0,0,0,0,0|1,0,2]=4 318 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [1,0,0,0,0,0|1,0,1]=3 319 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [1,0,0,0,0,0|1,0,1]=3 320 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [1,0,0,0,0,0|2,0,1]=4 321 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,0,0,0,0,0|1,0,1]=3 322 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,0,0,0,0,0|1,0,1]=3 323 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [1,0,0,0,0,0|2,0,1]=4 324 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [1,0,0,0,0,0|2,0,1]=4 325 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [1,0,0,0,0,0|2,0,1]=4 326 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [1,0,0,0,0,0|2,0,1]=4 327 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [1,0,0,0,0,0|2,0,1]=4 328 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [1,0,0,0,0,0|2,0,1]=4 329 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [1,0,0,0,0,0|2,0,1]=4 330 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [1,0,0,0,0,0|2,0,1]=4 331 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [1,0,0,0,0,0|2,0,1]=4 332 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [1,0,0,0,0,0|2,0,1]=4 333 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [1,0,0,0,0,0|2,0,1]=4 334 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [1,0,0,0,0,0|2,0,1]=4 335 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,0,0,0,0,0|2,0,1]=4 336 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,0,0,0,0,0|2,0,1]=4 337 B9R0.38 C#CCCNCC(C)(C)O 2230a_100000751335_100000688953 [1,0,0,0,0,0|1,0,2]=4 338 B9R0.38 C#CCCNCC(C)(C)O 34a_100000755551_100000764493 [1,0,0,0,0,0|1,0,2]=4 339 B9R0.38 C#CCCOCC(C)(C)O 34a_100011215631_100000764493 [1,0,0,0,0,0|1,0,2]=4 340 B9R0.38 C#CCCSCC(C)(C)O 62a_100000688953_100000764493 [1,0,0,0,0,0|1,0,2]=4 341 B9R0.38 C#CCCSCC(C)(C)O 62a_100000764493_100000688953 [1,0,0,0,0,0|1,0,2]=4 342 B9R0.38 C#CCNCCC(C)(C)O 34a_100000212058_100000702414 [1,0,0,0,0,0|1,0,2]=4 343 B9R0.38 C#CCOCCC(C)(C)O 34a_100000210247_100000702414 [1,0,0,0,0,0|1,0,2]=4 344 B9R0.38 C#CCSCCC(C)(C)O 62a_100000038162_100000702414 [1,0,0,0,0,0|1,0,2]=4 345 B9R0.38 C/C=C/COCC(C)(C)O 34a_100016270725_100000764493 [1,0,0,0,0,0|1,0,2]=4 346 B9R0.38 C/C=C/CSCC(C)(C)O 62a_100000764493_100102629194 [1,0,0,0,0,0|1,0,2]=4 347 B9R0.38 C/C=C/CSCC(C)(C)O 62a_100102629194_100000764493 [1,0,0,0,0,0|1,0,2]=4 348 B9R0.38 C=CCCCNC(C)(C)C 2230a_100000715429_100011713584 [1,0,0,0,0,0|2,0,0]=3 349 B9R0.38 C=CCCCNC(C)(C)C 34a_100000700776_100000210625 [1,0,0,0,0,0|2,0,0]=3 350 B9R0.38 C=CCCCOC(C)(C)C 34a_100000758997_100000210625 [1,0,0,0,0,0|2,0,0]=3 351 B9R0.38 C=CCCCOC(C)(C)C 34a_100015890283_100000757094 [1,0,0,0,0,0|2,0,0]=3 352 B9R0.38 C=CCCCOC(C)(C)C 7a_100015890283_100000757094 [1,0,0,0,0,0|2,0,0]=3 353 B9R0.38 C=CCCCSC(C)(C)C 62a_100000211941_100000757094 [1,0,0,0,0,0|2,0,0]=3 354 B9R0.38 C=CCCCSC(C)(C)C 62a_100011713584_100000211941 [1,0,0,0,0,0|2,0,0]=3 355 B9R0.38 C=CCCNCC(C)(C)C 2230a_100000743828_100000754431 [1,0,0,0,0,0|2,0,0]=3 356 B9R0.38 C=CCCNCC(C)(C)C 270004a_100015191253_100011204126 [1,0,0,0,0,0|2,0,0]=3 357 B9R0.38 C=CCCNCC(C)(C)F 2230a_100020643315_100000754431 [1,0,0,0,0,0|2,0,0]=3 358 B9R0.38 C=CCCNCC(C)(C)O 2230a_100000751335_100000754431 [1,0,0,0,0,0|1,0,0]=2 359 B9R0.38 C=CCCNC[Si](C)(C)C 2230a_100015191253_100000037933 [1,0,0,0,0,0|2,1,0]=4 360 B9R0.38 C=CCCOCC(C)(C)C 34a_100011205117_100011219605 [1,0,0,0,0,0|2,0,0]=3 361 B9R0.38 C=CCCOCC(C)(C)F 34a_100000716592_100000754431 [1,0,0,0,0,0|2,0,0]=3 362 B9R0.38 C=CCCOCC(C)(C)F 34a_100011205117_100011997219 [1,0,0,0,0,0|2,0,0]=3 363 B9R0.38 C=CCCOCC(C)(C)O 34a_100011205117_100000764493 [1,0,0,0,0,0|1,0,0]=2 364 B9R0.38 C=CCCOCC(C)(F)F 34a_100000068830_100000754431 [1,0,0,0,0,0|3,0,0]=4 365 B9R0.38 C=CCCSCC(C)(C)C 62a_100000754431_100011219605 [1,0,0,0,0,0|2,0,0]=3 366 B9R0.38 C=CCCSCC(C)(C)C 62a_100011219605_100000754431 [1,0,0,0,0,0|2,0,0]=3 367 B9R0.38 C=CCCSCC(C)(C)F 62a_100000754431_100011997219 [1,0,0,0,0,0|2,0,0]=3 368 B9R0.38 C=CCCSCC(C)(C)F 62a_100011997219_100000754431 [1,0,0,0,0,0|2,0,0]=3 369 B9R0.38 C=CCCSCC(C)(C)O 62a_100000754431_100000764493 [1,0,0,0,0,0|1,0,0]=2 370 B9R0.38 C=CCCSCC(C)(C)O 62a_100000764493_100000754431 [1,0,0,0,0,0|1,0,0]=2 371 B9R0.38 C=CCCSC[N+](C)(C)C 62a_100000754431_200000036245 [1,0,0,0,0,0|3,0,0]=4 372 B9R0.38 C=CCCSC[N+](C)(C)C 62a_200000036245_100000754431 [1,0,0,0,0,0|3,0,0]=4 373 B9R0.38 C=CCCSC[Si](C)(C)C 62a_100000037933_100000754431 [1,0,0,0,0,0|2,1,0]=4 374 B9R0.38 C=CCCSC[Si](C)(C)C 62a_100000754431_100000037933 [1,0,0,0,0,0|2,1,0]=4 375 B9R0.38 C=CCNCCC(C)(C)C 2230a_100000738805_100000210623 [1,0,0,0,0,0|2,0,0]=3 376 B9R0.38 C=CCNCCC(C)(C)C 2230a_100020586998_100000755188 [1,0,0,0,0,0|2,0,0]=3 377 B9R0.38 C=CCNCCC(C)(C)F 2230a_100016253952_100000210623 [1,0,0,0,0,0|2,0,0]=3 378 B9R0.38 C=CCNCCC(C)(C)O 2230a_100020586998_100000702414 [1,0,0,0,0,0|1,0,0]=2 379 B9R0.38 C=CCNCC[Si](C)(C)C 2230a_100020586998_200000733723 [1,0,0,0,0,0|2,1,0]=4 380 B9R0.38 C=CCOCCC(C)(C)C 34a_200000210373_100000755188 [1,0,0,0,0,0|2,0,0]=3 381 B9R0.38 C=CCOCCC(C)(C)C 7a_100000765024_100015514636 [1,0,0,0,0,0|2,0,0]=3 382 B9R0.38 C=CCOCCC(C)(C)O 34a_200000210373_100000702414 [1,0,0,0,0,0|1,0,0]=2 383 B9R0.38 C=CCOCC[N+](C)(C)C 34a_200000210373_100000085578 [1,0,0,0,0,0|3,0,0]=4 384 B9R0.38 C=CCOCC[N+](C)(C)C 7a_200020618287_100015514636 [1,0,0,0,0,0|3,0,0]=4 385 B9R0.38 C=CCOCC[Si](C)(C)C 34a_200000210373_200000733723 [1,0,0,0,0,0|2,1,0]=4 386 B9R0.38 C=CCOCC[Si](C)(C)C 7a_100000039746_100015514636 [1,0,0,0,0,0|2,1,0]=4 387 B9R0.38 C=CCSCCC(C)(C)C 62a_100000210623_100000755188 [1,0,0,0,0,0|2,0,0]=3 388 B9R0.38 C=CCSCCC(C)(C)C 62a_100000755188_100000210623 [1,0,0,0,0,0|2,0,0]=3 389 B9R0.38 C=CCSCCC(C)(C)O 62a_100000210623_100000702414 [1,0,0,0,0,0|1,0,0]=2 390 B9R0.38 C=CCSCCC(C)(C)O 62a_100000702414_100000210623 [1,0,0,0,0,0|1,0,0]=2 391 B9R0.38 C=CCSCC[N+](C)(C)C 62a_100000085578_100000210623 [1,0,0,0,0,0|3,0,0]=4 392 B9R0.38 C=CCSCC[N+](C)(C)C 62a_100000210623_100000085578 [1,0,0,0,0,0|3,0,0]=4 393 B9R0.38 C=CCSCC[Si](C)(C)C 62a_100000210623_200000733723 [1,0,0,0,0,0|2,1,0]=4 394 B9R0.38 C=CCSCC[Si](C)(C)C 62a_200000733723_100000210623 [1,0,0,0,0,0|2,1,0]=4 395 B9R0.38 C=COCCNC(C)(C)C 2230a_100000715429_100000039644 [1,0,0,0,0,0|3,0,0]=4 396 B9R0.38 C=COCCOC(C)(C)C 34a_100000033082_100000210625 [1,0,0,0,0,0|3,0,0]=4 397 B9R0.38 C=COCCOC(C)(C)C 34a_100015890283_100000039644 [1,0,0,0,0,0|3,0,0]=4 398 B9R0.38 C=COCCOC(C)(C)C 7a_100015890283_100000039644 [1,0,0,0,0,0|3,0,0]=4 399 B9R0.38 C=COCCSC(C)(C)C 62a_100000039644_100000211941 [1,0,0,0,0,0|3,0,0]=4 400 B9R0.38 C=COCCSC(C)(C)C 62a_100000211941_100000039644 [1,0,0,0,0,0|3,0,0]=4 401 B9R0.38 CC(C)(C)CCNCC=O 2230a_100000738805_200015260668 [1,0,0,0,0,0|3,0,0]=4 402 B9R0.38 CC(C)(C)CCOCC=O 7a_100000765024_200015260668 [1,0,0,0,0,0|3,0,0]=4 403 B9R0.38 CC(C)(C)CCSCC=O 62a_100000755188_200015260668 [1,0,0,0,0,0|3,0,0]=4 404 B9R0.38 CC(C)(C)CCSCC=O 62a_200015260668_100000755188 [1,0,0,0,0,0|3,0,0]=4 405 B9R0.38 CC(C)(C)NCCCC=O 2230a_100000715429_200011292268 [1,0,0,0,0,0|3,0,0]=4 406 B9R0.38 CC(C)(C)OCCCC=O 7a_100015890283_200011292268 [1,0,0,0,0,0|3,0,0]=4 407 B9R0.38 CC(C)(C)SCCCC=O 62a_100000211941_200011292268 [1,0,0,0,0,0|3,0,0]=4 408 B9R0.38 CC(C)(C)SCCCC=O 62a_200011292268_100000211941 [1,0,0,0,0,0|3,0,0]=4 409 B9R0.38 CC(C)(F)CCNCC=O 2230a_100016253952_200015260668 [1,0,0,0,0,0|3,0,0]=4 410 B9R0.38 CC(C)(O)CCCSCF 62a_100009888830_100015361967 [1,0,0,0,0,0|2,0,1]=4 411 B9R0.38 CC(C)(O)CCCSCF 62a_100015361967_100009888830 [1,0,0,0,0,0|2,0,1]=4 412 B9R0.38 CC(C)(O)CCNCCF 34a_100000724931_100000702414 [1,0,0,0,0,0|2,0,1]=4 413 B9R0.38 CC(C)(O)CCNCCO 2230a_100016997473_100000702414 [1,0,0,0,0,0|2,0,1]=4 414 B9R0.38 CC(C)(O)CCNCCO 34a_100016990907_100000702414 [1,0,0,0,0,0|2,0,1]=4 415 B9R0.38 CC(C)(O)CCOCCBr 34a_100000211926_100000702414 [1,0,0,0,0,0|2,0,1]=4 416 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [1,0,0,0,0,0|2,0,1]=4 417 B9R0.38 CC(C)(O)CCSCC#N 62a_100000702414_100011215382 [1,0,0,0,0,0|2,0,1]=4 418 B9R0.38 CC(C)(O)CCSCC#N 62a_100011215382_100000702414 [1,0,0,0,0,0|2,0,1]=4 419 B9R0.38 CC(C)(O)CCSCC=O 62a_100000702414_200015260668 [1,0,0,0,0,0|2,0,0]=3 420 B9R0.38 CC(C)(O)CCSCC=O 62a_200015260668_100000702414 [1,0,0,0,0,0|2,0,0]=3 421 B9R0.38 CC(C)(O)CCSCCF 62a_100000702414_100011217306 [1,0,0,0,0,0|2,0,1]=4 422 B9R0.38 CC(C)(O)CCSCCF 62a_100011217306_100000702414 [1,0,0,0,0,0|2,0,1]=4 423 B9R0.38 CC(C)(O)CCSCCO 62a_100000211926_100000702414 [1,0,0,0,0,0|2,0,1]=4 424 B9R0.38 CC(C)(O)CCSCCO 62a_100000702414_100000211926 [1,0,0,0,0,0|2,0,1]=4 425 B9R0.38 CC(C)(O)CNCCC#N 2230a_100000751335_100011215226 [1,0,0,0,0,0|2,0,1]=4 426 B9R0.38 CC(C)(O)CNCCCF 2230a_100000751335_100011934791 [1,0,0,0,0,0|2,0,1]=4 427 B9R0.38 CC(C)(O)CNCCCF 34a_100015189416_100000764493 [1,0,0,0,0,0|2,0,1]=4 428 B9R0.38 CC(C)(O)CNCCCO 2230a_100000751335_100000230001 [1,0,0,0,0,0|2,0,1]=4 429 B9R0.38 CC(C)(O)COCCCBr 34a_100011217188_100000764493 [1,0,0,0,0,0|2,0,1]=4 430 B9R0.38 CC(C)(O)COCCCCl 34a_100000230001_100000764493 [1,0,0,0,0,0|2,0,1]=4 431 B9R0.38 CC(C)(O)COCCCF 34a_100000759539_100000764493 [1,0,0,0,0,0|2,0,1]=4 432 B9R0.38 CC(C)(O)COCCCN 34a_100000182051_100000764493 [1,0,0,0,0,0|2,0,1]=4 433 B9R0.38 CC(C)(O)COCCON 34a_100000700252_100000764493 [1,0,0,0,0,0|3,0,0]=4 434 B9R0.38 CC(C)(O)CSCCC#N 62a_100000764493_100011215226 [1,0,0,0,0,0|2,0,1]=4 435 B9R0.38 CC(C)(O)CSCCC#N 62a_100011215226_100000764493 [1,0,0,0,0,0|2,0,1]=4 436 B9R0.38 CC(C)(O)CSCCCF 62a_100000764493_100011934791 [1,0,0,0,0,0|2,0,1]=4 437 B9R0.38 CC(C)(O)CSCCCF 62a_100011934791_100000764493 [1,0,0,0,0,0|2,0,1]=4 438 B9R0.38 CC(C)(O)CSCCCO 62a_100000764493_100011215043 [1,0,0,0,0,0|2,0,1]=4 439 B9R0.38 CC(C)(O)CSCCCO 62a_100011215043_100000764493 [1,0,0,0,0,0|2,0,1]=4 440 B9R0.38 CC=CCNCC(C)(C)O 2230a_100000751335_100000070051 [1,0,0,0,0,0|1,0,2]=4 441 B9R0.38 CC=CCSCC(C)(C)O 62a_100000070051_100000764493 [1,0,0,0,0,0|1,0,2]=4 442 B9R0.38 CC=CCSCC(C)(C)O 62a_100000764493_100000070051 [1,0,0,0,0,0|1,0,2]=4 443 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [1,0,0,0,0,0|1,0,2]=4 444 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [1,0,0,0,0,0|1,0,2]=4 445 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [1,0,0,0,0,0|1,0,2]=4 446 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [1,0,0,0,0,0|1,0,2]=4 447 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [1,0,0,0,0,0|1,0,2]=4 448 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [1,0,0,0,0,0|1,0,2]=4 449 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [1,0,0,0,0,0|1,0,2]=4 450 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [1,0,0,0,0,0|1,0,2]=4 451 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [1,0,0,0,0,0|1,0,2]=4 452 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [1,0,0,0,0,0|1,0,2]=4 453 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [1,0,0,0,0,0|1,0,2]=4 454 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [1,0,0,0,0,0|1,0,2]=4 455 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [1,0,0,0,0,0|1,0,2]=4 456 B9R0.38 COCCNCC(C)(C)O 2230a_100000751335_100011201679 [1,0,0,0,0,0|2,0,1]=4 457 B9R0.38 COCCOCC(C)(C)O 34a_100000210237_100000764493 [1,0,0,0,0,0|2,0,1]=4 458 B9R0.38 COCCSCC(C)(C)O 62a_100000233755_100000764493 [1,0,0,0,0,0|2,0,1]=4 459 B9R0.38 COCCSCC(C)(C)O 62a_100000764493_100000233755 [1,0,0,0,0,0|2,0,1]=4 460 B9R0.38 COCSCCC(C)(C)O 62a_100000702414_100000766300 [1,0,0,0,0,0|2,0,1]=4 461 B9R0.38 COCSCCC(C)(C)O 62a_100000766300_100000702414 [1,0,0,0,0,0|2,0,1]=4 462 B9R0.38 CSCCNCC(C)(C)O 2230a_100000751335_100000751147 [1,0,0,0,0,0|2,0,1]=4 463 B9R0.38 CSCCOCC(C)(C)O 34a_100000230434_100000764493 [1,0,0,0,0,0|2,0,1]=4 464 B9R0.38 CSCCOCC(C)(C)O 7a_100000230434_100000764493 [1,0,0,0,0,0|2,0,1]=4 465 B9R0.38 CSCCSCC(C)(C)O 62a_100000212216_100000764493 [1,0,0,0,0,0|2,0,1]=4 466 B9R0.38 CSCCSCC(C)(C)O 62a_100000764493_100000751147 [1,0,0,0,0,0|2,0,1]=4 467 B9R0.38 CSCSCCC(C)(C)O 62a_100000702414_100011218213 [1,0,0,0,0,0|2,0,1]=4 468 B9R0.38 CSCSCCC(C)(C)O 62a_100011218213_100000702414 [1,0,0,0,0,0|2,0,1]=4 469 B9R0.56 C=C(C)CCNC(C)(C)C 2230a_100000715429_100000730704 [1,0,0,0,0,0|2,0,1]=4 470 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100000764851_100000210625 [1,0,0,0,0,0|2,0,1]=4 471 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100015890283_100000730704 [1,0,0,0,0,0|2,0,1]=4 472 B9R0.56 C=C(C)CCOC(C)(C)C 7a_100015890283_100000730704 [1,0,0,0,0,0|2,0,1]=4 473 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000211941_100000730704 [1,0,0,0,0,0|2,0,1]=4 474 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000730704_100000211941 [1,0,0,0,0,0|2,0,1]=4 475 B9R0.56 C=C(C)CNCC(C)(C)C 2230a_100000743828_100000748629 [1,0,0,0,0,0|2,0,1]=4 476 B9R0.56 C=C(C)CNCC(C)(C)F 2230a_100020643315_100000748629 [1,0,0,0,0,0|2,0,1]=4 477 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [1,0,0,0,0,0|1,0,1]=3 478 B9R0.56 C=C(C)COCC(C)(C)C 34a_100000210245_100011219605 [1,0,0,0,0,0|2,0,1]=4 479 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000210245_100011997219 [1,0,0,0,0,0|2,0,1]=4 480 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000716592_100000748629 [1,0,0,0,0,0|2,0,1]=4 481 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [1,0,0,0,0,0|1,0,1]=3 482 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100000748629_100011219605 [1,0,0,0,0,0|2,0,1]=4 483 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100011219605_100000211660 [1,0,0,0,0,0|2,0,1]=4 484 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100000748629_100011997219 [1,0,0,0,0,0|2,0,1]=4 485 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100011997219_100000211660 [1,0,0,0,0,0|2,0,1]=4 486 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [1,0,0,0,0,0|1,0,1]=3 487 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [1,0,0,0,0,0|1,0,1]=3 488 B9R0.56 C=C(F)CNCC(C)(C)O 2230a_100000751335_100009893438 [1,0,0,0,0,0|2,0,1]=4 489 B9R0.56 C=C(F)COCC(C)(C)O 34a_200010262243_100000764493 [1,0,0,0,0,0|2,0,1]=4 490 B9R0.56 C=C(F)CSCC(C)(C)O 62a_100000042424_100000764493 [1,0,0,0,0,0|2,0,1]=4 491 B9R0.56 C=C(F)CSCC(C)(C)O 62a_100000764493_100000042424 [1,0,0,0,0,0|2,0,1]=4 492 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [1,0,0,0,0,0|2,0,1]=4 493 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [1,0,0,0,0,0|2,0,1]=4 494 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [1,0,0,0,0,0|2,0,1]=4 495 B9R0.56 CC(Br)CCOC(C)(C)C 34a_100009893172_100000210625 [1,0,0,0,0,0|3,0,0]=4 496 B9R0.56 CC(Br)COCC(C)(C)C 34a_100012180447_100011219605 [1,0,0,0,0,0|3,0,0]=4 497 B9R0.56 CC(Br)COCC(C)(C)F 34a_100012180447_100011997219 [1,0,0,0,0,0|3,0,0]=4 498 B9R0.56 CC(Br)COCC(C)(C)O 34a_100012180447_100000764493 [1,0,0,0,0,0|2,0,0]=3 499 B9R0.56 CC(C)(O)CNCC(F)F 2230a_100000751335_100011934356 [1,0,0,0,0,0|3,0,0]=4 500 B9R0.56 CC(C)(O)CNCC(F)F 34a_100000765723_100000764493 [1,0,0,0,0,0|3,0,0]=4 501 B9R0.56 CC(C)(O)COCC(F)F 34a_100000743014_100000764493 [1,0,0,0,0,0|3,0,0]=4 502 B9R0.56 CC(C)(O)CSCC(F)F 62a_100000764493_100011934356 [1,0,0,0,0,0|3,0,0]=4 503 B9R0.56 CC(C)(O)CSCC(F)F 62a_100011934356_100000764493 [1,0,0,0,0,0|3,0,0]=4 504 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [1,0,0,0,0,0|2,0,1]=4 505 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [1,0,0,0,0,0|2,0,1]=4 506 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [1,0,0,0,0,0|2,0,1]=4 507 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [1,0,0,0,0,0|2,0,1]=4 508 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [1,0,0,0,0,0|2,0,1]=4 509 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [1,0,0,0,0,0|2,0,1]=4 510 B9R0.56 CC(C)CNCC(C)(C)C 2230a_100000743828_100000210760 [1,0,0,0,0,0|2,0,1]=4 511 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000210953_100011204126 [1,0,0,0,0,0|2,0,1]=4 512 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000743828_100000210432 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.56 CC(C)CNCC(C)(C)C 34a_100000210953_100011219605 [1,0,0,0,0,0|2,0,1]=4 514 B9R0.56 CC(C)CNCC(C)(C)F 2230a_100020643315_100000210760 [1,0,0,0,0,0|2,0,1]=4 515 B9R0.56 CC(C)CNCC(C)(C)F 270004a_100020643315_100000210432 [1,0,0,0,0,0|2,0,1]=4 516 B9R0.56 CC(C)CNCC(C)(C)F 34a_100000210953_100011997219 [1,0,0,0,0,0|2,0,1]=4 517 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [1,0,0,0,0,0|1,0,1]=3 518 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [1,0,0,0,0,0|1,0,1]=3 519 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [1,0,0,0,0,0|1,0,1]=3 520 B9R0.56 CC(C)COCC(C)(C)C 34a_100000210257_100011219605 [1,0,0,0,0,0|2,0,1]=4 521 B9R0.56 CC(C)COCC(C)(C)F 34a_100000210257_100011997219 [1,0,0,0,0,0|2,0,1]=4 522 B9R0.56 CC(C)COCC(C)(C)F 34a_100000716592_100000210624 [1,0,0,0,0,0|2,0,1]=4 523 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [1,0,0,0,0,0|1,0,1]=3 524 B9R0.56 CC(C)CSCC(C)(C)C 62a_100000210624_100011219605 [1,0,0,0,0,0|2,0,1]=4 525 B9R0.56 CC(C)CSCC(C)(C)C 62a_100011219605_100000210760 [1,0,0,0,0,0|2,0,1]=4 526 B9R0.56 CC(C)CSCC(C)(C)F 62a_100000210624_100011997219 [1,0,0,0,0,0|2,0,1]=4 527 B9R0.56 CC(C)CSCC(C)(C)F 62a_100011997219_100000210760 [1,0,0,0,0,0|2,0,1]=4 528 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [1,0,0,0,0,0|1,0,1]=3 529 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [1,0,0,0,0,0|1,0,1]=3 530 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [1,0,0,0,0,0|2,0,1]=4 531 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [1,0,0,0,0,0|2,0,1]=4 532 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [1,0,0,0,0,0|2,0,1]=4 533 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [1,0,0,0,0,0|2,0,1]=4 534 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [1,0,0,0,0,0|1,0,1]=3 535 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [1,0,0,0,0,0|1,0,1]=3 536 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [1,0,0,0,0,0|2,0,1]=4 537 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [1,0,0,0,0,0|2,0,1]=4 538 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [1,0,0,0,0,0|1,0,1]=3 539 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [1,0,0,0,0,0|2,0,1]=4 540 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [1,0,0,0,0,0|2,0,1]=4 541 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [1,0,0,0,0,0|1,0,1]=3 542 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [1,0,0,0,0,0|1,0,1]=3 543 B9R0.56 CC(F)COCC(C)(C)C 34a_100015925927_100011219605 [1,0,0,0,0,0|3,0,0]=4 544 B9R0.56 CC(F)COCC(C)(C)F 34a_100015925927_100011997219 [1,0,0,0,0,0|3,0,0]=4 545 B9R0.56 CC(F)COCC(C)(C)O 34a_100015925927_100000764493 [1,0,0,0,0,0|2,0,0]=3 546 B9R0.56 CC(O)CCNC(C)(C)C 2230a_100000715429_100012276601 [1,0,0,0,0,0|3,0,0]=4 547 B9R0.56 CC(O)CCOC(C)(C)C 34a_100015890283_100012276601 [1,0,0,0,0,0|3,0,0]=4 548 B9R0.56 CC(O)CCOC(C)(C)C 7a_100015890283_100012276601 [1,0,0,0,0,0|3,0,0]=4 549 B9R0.56 CC(O)CCSC(C)(C)C 62a_100000211941_100012276601 [1,0,0,0,0,0|3,0,0]=4 550 B9R0.56 CC(O)CCSC(C)(C)C 62a_100012276601_100000211941 [1,0,0,0,0,0|3,0,0]=4 551 B9R0.56 CC(O)CNCC(C)(C)C 2230a_100000743828_100011218427 [1,0,0,0,0,0|3,0,0]=4 552 B9R0.56 CC(O)CNCC(C)(C)C 270004a_100000210904_100011204126 [1,0,0,0,0,0|3,0,0]=4 553 B9R0.56 CC(O)CNCC(C)(C)C 34a_100000210904_100011219605 [1,0,0,0,0,0|3,0,0]=4 554 B9R0.56 CC(O)CNCC(C)(C)F 2230a_100020643315_100011218427 [1,0,0,0,0,0|3,0,0]=4 555 B9R0.56 CC(O)CNCC(C)(C)F 34a_100000210904_100011997219 [1,0,0,0,0,0|3,0,0]=4 556 B9R0.56 CC(O)CNCC(C)(C)O 2230a_100000751335_100011218427 [1,0,0,0,0,0|2,0,0]=3 557 B9R0.56 CC(O)CNCC(C)(C)O 34a_100000210904_100000764493 [1,0,0,0,0,0|2,0,0]=3 558 B9R0.56 CC(O)COCC(C)(C)F 34a_100000716592_100011218427 [1,0,0,0,0,0|3,0,0]=4 559 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011218427_100011219605 [1,0,0,0,0,0|3,0,0]=4 560 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011219605_100011218427 [1,0,0,0,0,0|3,0,0]=4 561 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011218427_100011997219 [1,0,0,0,0,0|3,0,0]=4 562 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011997219_100011218427 [1,0,0,0,0,0|3,0,0]=4 563 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [1,0,0,0,0,0|2,0,0]=3 564 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [1,0,0,0,0,0|2,0,0]=3 565 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [1,0,0,0,0,0|1,0,1]=3 566 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [1,0,0,0,0,0|1,0,1]=3 567 B9R0.56 C[C@@H](Cl)COCC(C)(C)C 34a_100016084084_100011219605 [1,0,0,0,0,0|3,0,0]=4 568 B9R0.56 C[C@@H](Cl)COCC(C)(C)F 34a_100016084084_100011997219 [1,0,0,0,0,0|3,0,0]=4 569 B9R0.56 C[C@@H](Cl)COCC(C)(C)O 34a_100016084084_100000764493 [1,0,0,0,0,0|2,0,0]=3 570 B9R0.56 C[C@@H](N)CCOC(C)(C)C 34a_100000706166_100000210625 [1,0,0,0,0,0|3,0,0]=4 571 B9R0.56 C[C@@H](N)COCC(C)(C)C 34a_100000737577_100011219605 [1,0,0,0,0,0|3,0,0]=4 572 B9R0.56 C[C@@H](N)COCC(C)(C)F 34a_100000737577_100011997219 [1,0,0,0,0,0|3,0,0]=4 573 B9R0.56 C[C@@H](N)COCC(C)(C)O 34a_100000737577_100000764493 [1,0,0,0,0,0|2,0,0]=3 574 B9R0.56 C[C@@H](O)CNCC(C)(C)C 2230a_100000743828_100009817552 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2230a_100020643315_100009817552 [1,0,0,0,0,0|3,0,0]=4 576 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2230a_100000751335_100009817552 [1,0,0,0,0,0|2,0,0]=3 577 B9R0.56 C[C@@H](O)COCC(C)(C)F 34a_100000716592_100009817552 [1,0,0,0,0,0|3,0,0]=4 578 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100009817552_100011219605 [1,0,0,0,0,0|3,0,0]=4 579 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100011219605_100009817552 [1,0,0,0,0,0|3,0,0]=4 580 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100009817552_100011997219 [1,0,0,0,0,0|3,0,0]=4 581 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100011997219_100009817552 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [1,0,0,0,0,0|2,0,0]=3 583 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [1,0,0,0,0,0|2,0,0]=3 584 B11R0.24 C#CC(CC)OCCC(C)(C)O 34a_100000758843_100000702414 [0,1,0,0,0,0|1,0,2]=4 585 B11R0.24 C#CC(CC)OCCC(C)(C)O 7a_100000758843_100000702414 [0,1,0,0,0,0|1,0,2]=4 586 B11R0.24 C=CC(C=C)OCCC(C)(C)C 34a_100000033096_100000755188 [0,1,0,0,0,0|2,0,1]=4 587 B11R0.24 C=CC(C=C)OCCC(C)(C)O 34a_100000033096_100000702414 [0,1,0,0,0,0|1,0,1]=3 588 B11R0.24 C=CC(CC)OCCC(C)(C)C 34a_100000766422_100000755188 [0,1,0,0,0,0|2,0,0]=3 589 B11R0.24 C=CC(CC)OCCC(C)(C)C 7a_100000766422_100000755188 [0,1,0,0,0,0|2,0,0]=3 590 B11R0.24 C=CC(CC)OCCC(C)(C)O 34a_100000766422_100000702414 [0,1,0,0,0,0|1,0,0]=2 591 B11R0.24 C=CC(CC)OCCC(C)(C)O 7a_100000766422_100000702414 [0,1,0,0,0,0|1,0,0]=2 592 B11R0.24 C=CC(CC)OCC[N+](C)(C)C 34a_100000766422_100000085578 [0,1,0,0,0,0|3,0,0]=4 593 B11R0.24 C=CC(CC)OCC[N+](C)(C)C 7a_100000766422_100000085578 [0,1,0,0,0,0|3,0,0]=4 594 B11R0.24 C=CC(CC)OCC[Si](C)(C)C 34a_100000766422_200000733723 [0,1,0,0,0,0|2,1,0]=4 595 B11R0.24 C=CC(CC)OCC[Si](C)(C)C 7a_100000766422_200000733723 [0,1,0,0,0,0|2,1,0]=4 596 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)C 2230a_100016989147_100000755188 [0,1,0,0,0,0|2,0,0]=3 597 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)C 34a_100016989147_100000755188 [0,1,0,0,0,0|2,0,0]=3 598 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)O 2230a_100016989147_100000702414 [0,1,0,0,0,0|1,0,0]=2 599 B11R0.24 C=C[C@@H](CO)NCCC(C)(C)O 34a_100016989147_100000702414 [0,1,0,0,0,0|1,0,0]=2 600 B11R0.24 C=C[C@@H](CO)NCC[N+](C)(C)C 34a_100016989147_100000085578 [0,1,0,0,0,0|3,0,0]=4 601 B11R0.24 C=C[C@@H](CO)NCC[Si](C)(C)C 2230a_100016989147_200000733723 [0,1,0,0,0,0|2,1,0]=4 602 B11R0.24 C=C[C@@H](CO)NCC[Si](C)(C)C 34a_100016989147_200000733723 [0,1,0,0,0,0|2,1,0]=4 603 B11R0.24 CC(C)(O)CCNC(CO)CO 2230a_100000759517_100000702414 [0,1,0,0,0,0|2,0,1]=4 604 B11R0.24 CC(C)(O)CCOC(CCl)CCl 7a_100000737055_100000702414 [0,1,0,0,0,0|2,0,1]=4 605 B11R0.24 CC(C)(O)CCOC(CF)CF 34a_100000032261_100000702414 [0,1,0,0,0,0|2,0,1]=4 606 B11R0.24 CC(C)(O)CCOC(CF)CF 7a_100000032261_100000702414 [0,1,0,0,0,0|2,0,1]=4 607 B11R0.24 CC(C)(O)CCOC(CN)CN 34a_100000031598_100000702414 [0,1,0,0,0,0|2,0,1]=4 608 B11R0.24 CC(C)(O)CCO[C@@H](CF)CCl 34a_100015614560_100000702414 [0,1,0,0,0,0|2,0,1]=4 609 B11R0.24 CC(C)(O)CCO[C@@H](CF)CCl 7a_100015614560_100000702414 [0,1,0,0,0,0|2,0,1]=4 610 B11R0.24 CC(C)(O)CCSC(C=O)C=O 62a_100000702414_100000736813 [0,1,0,0,0,0|2,0,1]=4 611 B11R0.24 CC(C)(O)CCSC(C=O)C=O 62a_100000736813_100000702414 [0,1,0,0,0,0|2,0,1]=4 612 B11R0.24 CCC(CC)CNCC(C)(C)O 2230a_100000751335_100011215472 [0,1,0,0,0,0|1,0,2]=4 613 B11R0.24 CCC(CC)CNCC(C)(C)O 269862a_100000751335_100000211137 [0,1,0,0,0,0|1,0,2]=4 614 B11R0.24 CCC(CC)CNCC(C)(C)O 270004a_100000751335_100000211137 [0,1,0,0,0,0|1,0,2]=4 615 B11R0.24 CCC(CC)COCC(C)(C)O 7a_100000703878_100000764493 [0,1,0,0,0,0|1,0,2]=4 616 B11R0.24 CCC(CC)CSCC(C)(C)O 62a_100000764493_100011215472 [0,1,0,0,0,0|1,0,2]=4 617 B11R0.24 CCC(CC)CSCC(C)(C)O 62a_100011215472_100000764493 [0,1,0,0,0,0|1,0,2]=4 618 B11R0.24 CCC(CC)NCCC(C)(C)O 2230a_100000199018_100000702414 [0,1,0,0,0,0|1,0,2]=4 619 B11R0.24 CCC(CC)NCCC(C)(C)O 270004a_100000707701_100000210860 [0,1,0,0,0,0|1,0,2]=4 620 B11R0.24 CCC(CC)OCCC(C)(C)O 7a_100000688536_100000702414 [0,1,0,0,0,0|1,0,2]=4 621 B11R0.24 CCC(CC)SCCC(C)(C)O 62a_100000210505_100000702414 [0,1,0,0,0,0|1,0,2]=4 622 B11R0.24 CCC(CC)SCCC(C)(C)O 62a_100000702414_100000210505 [0,1,0,0,0,0|1,0,2]=4 623 B11R0.24 CCC(COCC(C)(C)O)OC 34a_100011934954_100000764493 [0,1,0,0,0,0|1,0,2]=4 624 B11R0.24 CCC(COCC(C)(C)O)OC 7a_100011934954_100000764493 [0,1,0,0,0,0|1,0,2]=4 625 B11R0.24 CCN(CC)CCCC(C)(C)O 2230a_100000724800_100009888830 [0,1,0,0,0,0|1,0,2]=4 626 B11R0.24 CCN(CC)CCCC(C)(C)O 269956a_100000042499_100009888830 [0,1,0,0,0,0|1,0,2]=4 627 B11R0.24 CCN(CC)CCCC(C)(C)O 269982a_100000724800_100009888830 [0,1,0,0,0,0|1,0,2]=4 628 B11R0.24 CC[C@@H](CO)NCCC(C)(C)O 2230a_100000709445_100000702414 [0,1,0,0,0,0|1,0,2]=4 629 B11R0.24 COC(CNCC(C)(C)O)OC 2230a_100000751335_100000751394 [0,1,0,0,0,0|2,0,1]=4 630 B11R0.24 COC(CNCC(C)(C)O)OC 270004a_100000751335_100000752162 [0,1,0,0,0,0|2,0,1]=4 631 B11R0.24 COC(COCC(C)(C)O)OC 34a_100011216393_100000764493 [0,1,0,0,0,0|2,0,1]=4 632 B11R0.24 COC(CSCC(C)(C)O)OC 62a_100000751394_100000764493 [0,1,0,0,0,0|2,0,1]=4 633 B11R0.24 COC(CSCC(C)(C)O)OC 62a_100000764493_100000751394 [0,1,0,0,0,0|2,0,1]=4 634 B11R0.89 C=CC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100000185746 [0,1,0,0,0,0|2,0,1]=4 635 B11R0.89 C=CC(C)OCC(=O)C(C)(C)C 34a_100000695699_100000229897 [0,1,0,0,0,0|2,0,1]=4 636 B11R0.89 C=CC(C)SCC(=O)C(C)(C)C 62a_100011215867_100000210923 [0,1,0,0,0,0|2,0,1]=4 637 B11R0.89 C=CC(O)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000730141 [0,1,0,0,0,0|2,0,0]=3 638 B11R0.89 C=CC(O)CN[C@H](C)C(C)(C)C 2230a_100025703359_100000730141 [0,1,0,0,0,0|3,0,0]=4 639 B11R0.89 CC(CO)CNC(C)C(C)(C)O 269862a_100000744482_100000747739 [0,1,0,0,0,0|2,0,1]=4 640 B11R0.89 CCC(C)CNC(C)C(C)(C)O 269862a_100020588543_100000747739 [0,1,0,0,0,0|1,0,2]=4 641 B11R0.89 CCC(C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000748023 [0,1,0,0,0,0|1,0,2]=4 642 B11R0.89 CC[C@H](C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100009816398 [0,1,0,0,0,0|1,0,2]=4 643 B11R0.89 CO[C@H](C)CNC(C)C(C)(C)O 269862a_100020591295_100000747739 [0,1,0,0,0,0|2,0,1]=4 644 B11R0.89 C[C@@H](CO)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000059175 [0,1,0,0,0,0|2,0,1]=4 645 B11R0.119 C=CC(C)CC(=O)C[Si](C)(C)C 1458a_100011934298_100000233785 [0,1,0,0,0,0|1,1,1]=4 646 B11R0.119 C=CC(C)CC(=O)NC(C)(C)C 11a_100000715429_100011934298 [0,1,0,0,0,0|2,0,1]=4 647 B11R0.119 C=CC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100011934298 [0,1,0,0,0,0|2,0,1]=4 648 B11R0.119 C=CC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100011934298 [0,1,0,0,0,0|2,0,1]=4 649 B11R0.119 C=CC(C)CC(=O)NC(C)(C)C 527a_100000715429_100011934298 [0,1,0,0,0,0|2,0,1]=4 650 B11R0.119 C=CC(O)CN(C)CC(C)(C)C 2230a_100000742839_100000730141 [0,1,0,0,0,0|3,0,0]=4 651 B11R0.119 C=CC(O)CN(C)CC(C)(C)O 2230a_100000755907_100000730141 [0,1,0,0,0,0|2,0,0]=3 652 B11R0.119 CCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748023 [0,1,0,0,0,0|0,0,3]=4 653 B11R0.119 CCC(C)CN(C)CC(C)(C)O 2230a_100000755907_100000748023 [0,1,0,0,0,0|1,0,2]=4 654 B11R0.119 CCC(C)CN(C)CC(C)(C)O 269982a_100000755907_100000748023 [0,1,0,0,0,0|1,0,2]=4 655 B11R0.119 CCC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000243153 [0,1,0,0,0,0|1,0,2]=4 656 B11R0.119 CC[C@H](C)CC(=O)CC(C)(C)O 1458a_100000693243_100009816398 [0,1,0,0,0,0|0,0,3]=4 657 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O 2230a_100000755907_100009816398 [0,1,0,0,0,0|1,0,2]=4 658 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O 269982a_100000755907_100009816398 [0,1,0,0,0,0|1,0,2]=4 659 B11R0.119 C[C@@H](CO)CC(=O)CC(C)(C)O 1458a_100000693243_100000059175 [0,1,0,0,0,0|1,0,2]=4 660 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 2230a_100000755907_100000059175 [0,1,0,0,0,0|2,0,1]=4 661 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 269982a_100000755907_100000059175 [0,1,0,0,0,0|2,0,1]=4 662 B11R0.131 C#CC(C)(C)NCCC(C)(C)O 34a_100000054563_100000702414 [0,1,0,0,0,0|1,0,2]=4 663 B11R0.131 C#CC(C)(C)OCCC(C)(C)O 34a_100000189450_100000702414 [0,1,0,0,0,0|1,0,2]=4 664 B11R0.131 C#CC(C)(C)OCCC(C)(C)O 7a_100000189450_100000702414 [0,1,0,0,0,0|1,0,2]=4 665 B11R0.131 C#CC(C)(C)SCCC(C)(C)O 62a_100000038118_100000702414 [0,1,0,0,0,0|1,0,2]=4 666 B11R0.131 C#CC(C)(C)SCCC(C)(C)O 62a_100000702414_100000038118 [0,1,0,0,0,0|1,0,2]=4 667 B11R0.131 C=CC(C)(C)OCCC(C)(C)C 34a_100011215311_100000755188 [0,1,0,0,0,0|2,0,0]=3 668 B11R0.131 C=CC(C)(C)OCCC(C)(C)C 7a_100011215311_100000755188 [0,1,0,0,0,0|2,0,0]=3 669 B11R0.131 C=CC(C)(C)OCCC(C)(C)O 34a_100011215311_100000702414 [0,1,0,0,0,0|1,0,0]=2 670 B11R0.131 C=CC(C)(C)OCCC(C)(C)O 7a_100011215311_100000702414 [0,1,0,0,0,0|1,0,0]=2 671 B11R0.131 C=CC(C)(C)OCC[N+](C)(C)C 34a_100011215311_100000085578 [0,1,0,0,0,0|3,0,0]=4 672 B11R0.131 C=CC(C)(C)OCC[N+](C)(C)C 7a_100011215311_100000085578 [0,1,0,0,0,0|3,0,0]=4 673 B11R0.131 C=CC(C)(C)OCC[Si](C)(C)C 34a_100011215311_200000733723 [0,1,0,0,0,0|2,1,0]=4 674 B11R0.131 C=CC(C)(C)OCC[Si](C)(C)C 7a_100011215311_200000733723 [0,1,0,0,0,0|2,1,0]=4 675 B11R0.131 C=CC(F)(F)SCCC(C)(C)C 62a_100000755188_100009814244 [0,1,0,0,0,0|3,0,0]=4 676 B11R0.131 C=CC(F)(F)SCCC(C)(C)C 62a_100009814244_100000755188 [0,1,0,0,0,0|3,0,0]=4 677 B11R0.131 C=CC(F)(F)SCCC(C)(C)O 62a_100000702414_100009814244 [0,1,0,0,0,0|2,0,0]=3 678 B11R0.131 C=CC(F)(F)SCCC(C)(C)O 62a_100009814244_100000702414 [0,1,0,0,0,0|2,0,0]=3 679 B11R0.131 C=C[Si](C)(C)CNCC(C)(C)C 2230a_100000743828_100000038793 [0,1,0,0,0,0|2,1,0]=4 680 B11R0.131 C=C[Si](C)(C)CNCC(C)(C)F 2230a_100020643315_100000038793 [0,1,0,0,0,0|2,1,0]=4 681 B11R0.131 C=C[Si](C)(C)CNCC(C)(C)O 2230a_100000751335_100000038793 [0,1,0,0,0,0|1,1,0]=3 682 B11R0.131 C=C[Si](C)(C)CSCC(C)(C)C 62a_100000038793_100011219605 [0,1,0,0,0,0|2,1,0]=4 683 B11R0.131 C=C[Si](C)(C)CSCC(C)(C)C 62a_100011219605_100000038793 [0,1,0,0,0,0|2,1,0]=4 684 B11R0.131 C=C[Si](C)(C)CSCC(C)(C)F 62a_100000038793_100011997219 [0,1,0,0,0,0|2,1,0]=4 685 B11R0.131 C=C[Si](C)(C)CSCC(C)(C)F 62a_100011997219_100000038793 [0,1,0,0,0,0|2,1,0]=4 686 B11R0.131 C=C[Si](C)(C)CSCC(C)(C)O 62a_100000038793_100000764493 [0,1,0,0,0,0|1,1,0]=3 687 B11R0.131 C=C[Si](C)(C)CSCC(C)(C)O 62a_100000764493_100000038793 [0,1,0,0,0,0|1,1,0]=3 688 B11R0.131 CC(C)(O)CCNC(C)(C)CO 2230a_100000210608_100000702414 [0,1,0,0,0,0|2,0,1]=4 689 B11R0.131 CC(C)(O)CCOC(C)(C)C#N 34a_200015195151_100000702414 [0,1,0,0,0,0|2,0,1]=4 690 B11R0.131 CC(C)(O)CCOC(C)(C)CCl 7a_100000764493_100000702414 [0,1,0,0,0,0|2,0,1]=4 691 B11R0.131 CC(C)(O)CCSC(C)(C)C#N 62a_100000702414_100011162410 [0,1,0,0,0,0|2,0,1]=4 692 B11R0.131 CC(C)(O)CCSC(C)(C)C#N 62a_100011162410_100000702414 [0,1,0,0,0,0|2,0,1]=4 693 B11R0.131 CC(C)(O)COCC(C)(C)CCl 7a_100011217199_100000764493 [0,1,0,0,0,0|2,0,1]=4 694 B11R0.131 CC(C)(O)CSCC(C)(C)CO 62a_100000764493_100009813988 [0,1,0,0,0,0|2,0,1]=4 695 B11R0.131 CC(C)(O)CSCC(C)(C)CO 62a_100009813988_100000764493 [0,1,0,0,0,0|2,0,1]=4 696 B11R0.131 CCC(C)(C)COCC(C)(C)O 7a_100000765029_100000764493 [0,1,0,0,0,0|1,0,2]=4 697 B11R0.131 CCC(C)(C)NCCC(C)(C)O 2230a_100000211385_100000702414 [0,1,0,0,0,0|1,0,2]=4 698 B11R0.131 CCC(C)(C)OCCC(C)(C)O 7a_100000210230_100000702414 [0,1,0,0,0,0|1,0,2]=4 699 B11R0.131 CCC(C)(C)SCCC(C)(C)O 62a_100000032637_100000702414 [0,1,0,0,0,0|1,0,2]=4 700 B11R0.131 CCC(C)(C)SCCC(C)(C)O 62a_100000702414_100000032637 [0,1,0,0,0,0|1,0,2]=4 701 B11R0.131 COC(C)(C)CSCC(C)(C)O 62a_100000701081_100000764493 [0,1,0,0,0,0|2,0,1]=4 702 B11R0.131 COC(C)(C)CSCC(C)(C)O 62a_100000764493_100000701081 [0,1,0,0,0,0|2,0,1]=4 703 B11R0.131 CSC(C)(C)CNCC(C)(C)O 270004a_100000751335_100009845794 [0,1,0,0,0,0|2,0,1]=4 704 B11R0.180 C#CCC(C)OCCC(C)(C)O 34a_100000685586_100000702414 [0,1,0,0,0,0|1,0,2]=4 705 B11R0.180 C#CCC(C)OCCC(C)(C)O 7a_100000685586_100000702414 [0,1,0,0,0,0|1,0,2]=4 706 B11R0.180 C#CCN(C)CCCC(C)(C)O 2230a_100000225692_100009888830 [0,1,0,0,0,0|1,0,2]=4 707 B11R0.180 C#CCN(C)CCCC(C)(C)O 34a_100000225692_100009888830 [0,1,0,0,0,0|1,0,2]=4 708 B11R0.180 C/C=C/C(C)OCCC(C)(C)C 34a_200102604097_100000755188 [0,1,0,0,0,0|2,0,0]=3 709 B11R0.180 C/C=C/C(C)OCCC(C)(C)O 34a_200102604097_100000702414 [0,1,0,0,0,0|1,0,0]=2 710 B11R0.180 C/C=C/C(C)OCC[N+](C)(C)C 34a_200102604097_100000085578 [0,1,0,0,0,0|3,0,0]=4 711 B11R0.180 C/C=C/C(C)OCC[Si](C)(C)C 34a_200102604097_200000733723 [0,1,0,0,0,0|2,1,0]=4 712 B11R0.180 C=CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210193 [0,1,0,0,0,0|2,0,1]=4 713 B11R0.180 C=CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210193 [0,1,0,0,0,0|2,0,1]=4 714 B11R0.180 C=CCC(C)COCC(C)(C)C 34a_100009832082_100011219605 [0,1,0,0,0,0|2,0,0]=3 715 B11R0.180 C=CCC(C)COCC(C)(C)F 34a_100009832082_100011997219 [0,1,0,0,0,0|2,0,0]=3 716 B11R0.180 C=CCC(C)COCC(C)(C)O 34a_100009832082_100000764493 [0,1,0,0,0,0|1,0,0]=2 717 B11R0.180 C=CCC(C)COCC(C)(C)O 7a_100009832082_100000764493 [0,1,0,0,0,0|1,0,0]=2 718 B11R0.180 C=CCC(C)COC[Si](C)(C)C 7a_100009832082_100000233785 [0,1,0,0,0,0|2,1,0]=4 719 B11R0.180 C=CCN(C)CCCC(C)(C)O 2230a_100000225617_100009888830 [0,1,0,0,0,0|1,0,0]=2 720 B11R0.180 C=CCN(C)CCCC(C)(C)O 269982a_100000225617_100009888830 [0,1,0,0,0,0|1,0,0]=2 721 B11R0.180 C=CCN(C)CCC[N+](C)(C)C 2230a_100000225617_100016990835 [0,1,0,0,0,0|3,0,0]=4 722 B11R0.180 C=CCN(C)CCC[N+](C)(C)C 269982a_100000225617_100016990835 [0,1,0,0,0,0|3,0,0]=4 723 B11R0.180 C=CCN(C)CCC[Si](C)(C)C 2230a_100000225617_100011219597 [0,1,0,0,0,0|2,1,0]=4 724 B11R0.180 C=CCN(C)CCC[Si](C)(C)C 269982a_100000225617_100011219597 [0,1,0,0,0,0|2,1,0]=4 725 B11R0.180 C=CCN(C)CCOC(C)(C)C 2230a_100000690421_100000210623 [0,1,0,0,0,0|3,0,0]=4 726 B11R0.180 C=CCN(C)CCOC(C)(C)C 269982a_100000690421_100000210623 [0,1,0,0,0,0|3,0,0]=4 727 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)C 34a_100000731007_100000755188 [0,1,0,0,0,0|2,0,0]=3 728 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)C 7a_100000731007_100000755188 [0,1,0,0,0,0|2,0,0]=3 729 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O 34a_100000731007_100000702414 [0,1,0,0,0,0|1,0,0]=2 730 B11R0.180 C=CC[C@@H](C)OCCC(C)(C)O 7a_100000731007_100000702414 [0,1,0,0,0,0|1,0,0]=2 731 B11R0.180 C=CC[C@@H](C)OCC[N+](C)(C)C 34a_100000731007_100000085578 [0,1,0,0,0,0|3,0,0]=4 732 B11R0.180 C=CC[C@@H](C)OCC[N+](C)(C)C 7a_100000731007_100000085578 [0,1,0,0,0,0|3,0,0]=4 733 B11R0.180 C=CC[C@@H](C)OCC[Si](C)(C)C 34a_100000731007_200000733723 [0,1,0,0,0,0|2,1,0]=4 734 B11R0.180 C=CC[C@@H](C)OCC[Si](C)(C)C 7a_100000731007_200000733723 [0,1,0,0,0,0|2,1,0]=4 735 B11R0.180 C=CC[C@@H](N)COCC(C)(C)C 34a_100020615467_100011219605 [0,1,0,0,0,0|3,0,0]=4 736 B11R0.180 C=CC[C@@H](N)COCC(C)(C)F 34a_100020615467_100011997219 [0,1,0,0,0,0|3,0,0]=4 737 B11R0.180 C=CC[C@@H](N)COCC(C)(C)O 34a_100020615467_100000764493 [0,1,0,0,0,0|2,0,0]=3 738 B11R0.180 C=COC(=O)CNCC(C)(C)O 2230a_100000751335_100000036128 [0,1,0,0,0,0|2,0,1]=4 739 B11R0.180 C=COC(=O)CSCC(C)(C)O 62a_100000036128_100000764493 [0,1,0,0,0,0|2,0,1]=4 740 B11R0.180 C=COC(=O)CSCC(C)(C)O 62a_100000764493_100000036128 [0,1,0,0,0,0|2,0,1]=4 741 B11R0.180 CC#CC(C)OCCC(C)(C)O 34a_100011216543_100000702414 [0,1,0,0,0,0|1,0,2]=4 742 B11R0.180 CC(C)(O)CCNC(=O)C=CBr 1626a_100000707701_100016273825 [0,1,0,0,0,0|2,0,1]=4 743 B11R0.180 CC(C)(O)CCNC(=O)C=CCl 1626a_100000707701_200016279998 [0,1,0,0,0,0|2,0,1]=4 744 B11R0.180 CC(C)(O)CCNC(=O)C=CI 1626a_100000707701_100016256311 [0,1,0,0,0,0|2,0,1]=4 745 B11R0.180 CC(CC#N)SCCC(C)(C)O 62a_100000702414_100009813641 [0,1,0,0,0,0|1,0,2]=4 746 B11R0.180 CC(CC#N)SCCC(C)(C)O 62a_100009813641_100000702414 [0,1,0,0,0,0|1,0,2]=4 747 B11R0.180 CC(CCBr)OCCC(C)(C)O 34a_100012276601_100000702414 [0,1,0,0,0,0|1,0,2]=4 748 B11R0.180 CC(CCN)COCC(C)(C)O 34a_106354213184_100000764493 [0,1,0,0,0,0|1,0,2]=4 749 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100000702414_100009893172 [0,1,0,0,0,0|1,0,2]=4 750 B11R0.180 CC(CCO)SCCC(C)(C)O 62a_100009893172_100000702414 [0,1,0,0,0,0|1,0,2]=4 751 B11R0.180 CC=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210699 [0,1,0,0,0,0|2,0,1]=4 752 B11R0.180 CCCC(C)CNCC(C)(C)O 2230a_100000751335_100011216630 [0,1,0,0,0,0|1,0,2]=4 753 B11R0.180 CCCC(C)CNCC(C)(C)O 270004a_100000751335_100000243154 [0,1,0,0,0,0|1,0,2]=4 754 B11R0.180 CCCC(C)COCC(C)(C)O 34a_100000688023_100000764493 [0,1,0,0,0,0|1,0,2]=4 755 B11R0.180 CCCC(C)COCC(C)(C)O 7a_100000688023_100000764493 [0,1,0,0,0,0|1,0,2]=4 756 B11R0.180 CCCC(C)CSCC(C)(C)O 62a_100000764493_100011216630 [0,1,0,0,0,0|1,0,2]=4 757 B11R0.180 CCCC(C)CSCC(C)(C)O 62a_100011216630_100000764493 [0,1,0,0,0,0|1,0,2]=4 758 B11R0.180 CCCC(C)NCCC(C)(C)O 2230a_100000741246_100000702414 [0,1,0,0,0,0|1,0,2]=4 759 B11R0.180 CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000211909 [0,1,0,0,0,0|1,0,2]=4 760 B11R0.180 CCCC(C)OCCC(C)(C)O 34a_100000764384_100000702414 [0,1,0,0,0,0|1,0,2]=4 761 B11R0.180 CCCC(C)OCCC(C)(C)O 7a_100000764384_100000702414 [0,1,0,0,0,0|1,0,2]=4 762 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000702414_100000766640 [0,1,0,0,0,0|1,0,2]=4 763 B11R0.180 CCCC(C)SCCC(C)(C)O 62a_100000766640_100000702414 [0,1,0,0,0,0|1,0,2]=4 764 B11R0.180 CCCN(C)CCCC(C)(C)O 2230a_100000747261_100009888830 [0,1,0,0,0,0|1,0,2]=4 765 B11R0.180 CCCN(C)CCCC(C)(C)O 269982a_100000747261_100009888830 [0,1,0,0,0,0|1,0,2]=4 766 B11R0.180 CN(CC#N)CCCC(C)(C)O 2230a_100000748184_100009888830 [0,1,0,0,0,0|1,0,2]=4 767 B11R0.180 CN(CCO)CCCC(C)(C)O 2230a_100000210263_100009888830 [0,1,0,0,0,0|1,0,2]=4 768 B11R0.180 CN(CCO)CCCC(C)(C)O 269982a_100000210263_100009888830 [0,1,0,0,0,0|1,0,2]=4 769 B11R0.180 COCC(C)NCCC(C)(C)O 270004a_100000707701_100000749346 [0,1,0,0,0,0|1,0,2]=4 770 B11R0.180 COCC(C)SCCC(C)(C)O 62a_100000702414_100000765312 [0,1,0,0,0,0|1,0,2]=4 771 B11R0.180 COCC(C)SCCC(C)(C)O 62a_100000765312_100000702414 [0,1,0,0,0,0|1,0,2]=4 772 B11R0.180 COC[C@@H](C)NCCC(C)(C)O 2230a_100000764878_100000702414 [0,1,0,0,0,0|1,0,2]=4 773 B11R0.180 COC[C@@H](C)OCCC(C)(C)O 34a_100011934205_100000702414 [0,1,0,0,0,0|1,0,2]=4 774 B11R0.180 CSCC(C)NCCC(C)(C)O 270004a_100000707701_100011216314 [0,1,0,0,0,0|1,0,2]=4 775 B11R0.180 C[C@@H](CC#N)NCCC(C)(C)O 2230a_100016994482_100000702414 [0,1,0,0,0,0|1,0,2]=4 776 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 2230a_100000706166_100000702414 [0,1,0,0,0,0|1,0,2]=4 777 B11R0.180 C[C@H](CCO)NCCC(C)(C)O 34a_100000706166_100000702414 [0,1,0,0,0,0|1,0,2]=4 778 B11R0.290 C/C=C(\C)/C(C)NCC(C)(C)O 269862a_100000751335_100020675665 [0,1,0,0,0,0|1,0,2]=4 779 B11R0.290 C=CC(C)C(=O)CCC(C)(C)C 1458a_100011216780_100000755188 [0,1,0,0,0,0|1,0,1]=3 780 B11R0.290 C=CC(C)C(=O)CC[N+](C)(C)C 1458a_100011216780_100000085578 [0,1,0,0,0,0|2,0,1]=4 781 B11R0.290 C=CC(C)C(=O)CC[Si](C)(C)C 1458a_100011216780_200000733723 [0,1,0,0,0,0|1,1,1]=4 782 B11R0.290 C=CC(C)C(=O)NCC(C)(C)C 11a_100000743828_100011216780 [0,1,0,0,0,0|2,0,1]=4 783 B11R0.290 C=CC(C)C(=O)NCC(C)(C)C 1626a_100000743828_100011216780 [0,1,0,0,0,0|2,0,1]=4 784 B11R0.290 C=CC(C)C(=O)NCC(C)(C)C 240690a_100000743828_100011216780 [0,1,0,0,0,0|2,0,1]=4 785 B11R0.290 C=CC(C)C(=O)NCC(C)(C)C 527a_100000743828_100011216780 [0,1,0,0,0,0|2,0,1]=4 786 B11R0.290 C=CC(C)C(=O)NCC(C)(C)F 11a_100020643315_100011216780 [0,1,0,0,0,0|2,0,1]=4 787 B11R0.290 C=CC(C)C(=O)NCC(C)(C)F 1626a_100020643315_100011216780 [0,1,0,0,0,0|2,0,1]=4 788 B11R0.290 C=CC(C)C(=O)NCC(C)(C)F 240690a_100020643315_100011216780 [0,1,0,0,0,0|2,0,1]=4 789 B11R0.290 C=CC(C)C(=O)NCC(C)(C)F 527a_100020643315_100011216780 [0,1,0,0,0,0|2,0,1]=4 790 B11R0.290 C=CC(C)C(=O)NCC(C)(C)O 1626a_100000751335_100011216780 [0,1,0,0,0,0|1,0,1]=3 791 B11R0.290 C=CC(C)C(=O)NCC(C)(C)O 240690a_100000751335_100011216780 [0,1,0,0,0,0|1,0,1]=3 792 B11R0.290 C=CC(C)C(=O)NCC(C)(C)O 527a_100000751335_100011216780 [0,1,0,0,0,0|1,0,1]=3 793 B11R0.290 C=C[C@@H](C)[C@@H](C)OCC(C)(C)C 34a_100015455354_100011219605 [0,1,0,0,0,0|2,0,0]=3 794 B11R0.290 C=C[C@@H](C)[C@@H](C)OCC(C)(C)F 34a_100015455354_100011997219 [0,1,0,0,0,0|2,0,0]=3 795 B11R0.290 C=C[C@@H](C)[C@@H](C)OCC(C)(C)O 34a_100015455354_100000764493 [0,1,0,0,0,0|1,0,0]=2 796 B11R0.290 C=C[C@@H](C)[C@@H](C)OCC(C)(C)O 7a_100015455354_100000764493 [0,1,0,0,0,0|1,0,0]=2 797 B11R0.290 C=C[C@@H](C)[C@@H](C)OC[Si](C)(C)C 7a_100015455354_100000233785 [0,1,0,0,0,0|2,1,0]=4 798 B11R0.290 CC(CO)N(C)CCC(C)(C)O 2230a_100000693034_100000702414 [0,1,0,0,0,0|2,0,1]=4 799 B11R0.290 CCC(C)C(C)NCC(C)(C)O 269862a_100000751335_100000210599 [0,1,0,0,0,0|1,0,2]=4 800 B11R0.290 CCC(C)C(C)NCC(C)(C)O 270004a_100000751335_100000210599 [0,1,0,0,0,0|1,0,2]=4 801 B11R0.290 CCC(C)C(C)OCC(C)(C)O 7a_100011215189_100000764493 [0,1,0,0,0,0|1,0,2]=4 802 B11R0.290 CCC(C)N(C)CCC(C)(C)O 2230a_100000741768_100000702414 [0,1,0,0,0,0|1,0,2]=4 803 B11R0.318 C=C(Br)C(=O)NCCC(C)(C)O 1626a_100000707701_100009813364 [0,1,0,0,0,0|2,0,1]=4 804 B11R0.318 C=C(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100000185857 [0,1,0,0,0,0|2,0,1]=4 805 B11R0.318 C=C(C)C(C)NCCC(C)(C)C 269862a_100000738805_100011216138 [0,1,0,0,0,0|2,0,0]=3 806 B11R0.318 C=C(C)C(C)NCCC(C)(C)F 269862a_100016253952_100011216138 [0,1,0,0,0,0|2,0,0]=3 807 B11R0.318 C=C(C)C(C)NCCC(C)(C)O 269862a_100000707701_100011216138 [0,1,0,0,0,0|1,0,0]=2 808 B11R0.318 C=C(C)C(C)NCC[N+](C)(C)C 269862a_100000106457_100011216138 [0,1,0,0,0,0|3,0,0]=4 809 B11R0.318 C=C(Cl)C(=O)NCCC(C)(C)O 1626a_100000707701_100000039160 [0,1,0,0,0,0|2,0,1]=4 810 B11R0.318 C=C(F)C(=O)NCCC(C)(C)O 1626a_100000707701_100000036797 [0,1,0,0,0,0|2,0,1]=4 811 B11R0.318 CC(=O)C(C)COCC(C)(C)C 34a_100000032740_100011219605 [0,1,0,0,0,0|2,0,1]=4 812 B11R0.318 CC(=O)C(C)COCC(C)(C)F 34a_100000032740_100011997219 [0,1,0,0,0,0|2,0,1]=4 813 B11R0.318 CC(=O)C(C)COCC(C)(C)O 34a_100000032740_100000764493 [0,1,0,0,0,0|1,0,1]=3 814 B11R0.318 CC(=O)C(C)COCC(C)(C)O 7a_100000032740_100000764493 [0,1,0,0,0,0|1,0,1]=3 815 B11R0.318 CC(=O)C(C)NCCC(C)(C)C 2230a_100000738805_100009814033 [0,1,0,0,0,0|2,0,1]=4 816 B11R0.318 CC(=O)C(C)NCCC(C)(C)F 2230a_100016253952_100009814033 [0,1,0,0,0,0|2,0,1]=4 817 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 34a_100000212229_100000755188 [0,1,0,0,0,0|2,0,1]=4 818 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 7a_100000765024_100000179758 [0,1,0,0,0,0|2,0,1]=4 819 B11R0.318 CC(=O)C(C)OCCC(C)(C)O 34a_100000212229_100000702414 [0,1,0,0,0,0|1,0,1]=3 820 B11R0.318 CC(=O)C(C)SCCC(C)(C)C 62a_100000755188_100009814033 [0,1,0,0,0,0|2,0,1]=4 821 B11R0.318 CC(=O)C(C)SCCC(C)(C)C 62a_100009814033_100000755188 [0,1,0,0,0,0|2,0,1]=4 822 B11R0.318 CC(=O)C(C)SCCC(C)(C)O 62a_100000702414_100009814033 [0,1,0,0,0,0|1,0,1]=3 823 B11R0.318 CC(=O)C(C)SCCC(C)(C)O 62a_100009814033_100000702414 [0,1,0,0,0,0|1,0,1]=3 824 B11R0.318 CC(C)(O)CCSC(F)C(=O)N 62a_100000702414_100009813875 [0,1,0,0,0,0|3,0,0]=4 825 B11R0.318 CC(C)(O)CCSC(F)C(=O)N 62a_100009813875_100000702414 [0,1,0,0,0,0|3,0,0]=4 826 B11R0.318 CC(C)(O)CCSC(F)C(=O)[O-] 62a_100000702414_100020610796 [0,1,0,0,0,0|3,0,0]=4 827 B11R0.318 CC(C)(O)CCSC(F)C(=O)[O-] 62a_100020610796_100000702414 [0,1,0,0,0,0|3,0,0]=4 828 B11R0.318 CC(C)(O)CNCC(F)C(=O)O 269956a_100000084737_100000764493 [0,1,0,0,0,0|3,0,0]=4 829 B11R0.318 CC(C)(O)COC[C@H](N)C(=O)N 34a_100000729942_100000764493 [0,1,0,0,0,0|3,0,0]=4 830 B11R0.318 CC(C)C(C)NCCC(C)(C)O 2230a_100000211541_100000702414 [0,1,0,0,0,0|1,0,2]=4 831 B11R0.318 CC(C)C(C)OCCC(C)(C)O 7a_100000748068_100000702414 [0,1,0,0,0,0|1,0,2]=4 832 B11R0.318 CC(C)N(C)CCCC(C)(C)O 269982a_200000211004_100009888830 [0,1,0,0,0,0|1,0,2]=4 833 B11R0.318 CC(CNCC(C)(C)C)C(=O)O 269956a_100000749485_100011219605 [0,1,0,0,0,0|3,0,0]=4 834 B11R0.318 CC(CNCC(C)(C)F)C(=O)O 269956a_100000749485_100011997219 [0,1,0,0,0,0|3,0,0]=4 835 B11R0.318 CC(CNCC(C)(C)O)C(=O)O 269956a_100000749485_100000764493 [0,1,0,0,0,0|2,0,0]=3 836 B11R0.318 CC(COCC(C)(C)O)[N+](=O)[O-] 34a_100000039676_100000764493 [0,1,0,0,0,0|3,0,0]=4 837 B11R0.318 CC(COCC(C)(C)O)[N+](=O)[O-] 7a_100000039676_100000764493 [0,1,0,0,0,0|3,0,0]=4 838 B11R0.318 CC(NCCC(C)(C)C)C(=O)N 2230a_100000738805_100000702099 [0,1,0,0,0,0|3,0,0]=4 839 B11R0.318 CC(NCCC(C)(C)F)C(=O)N 2230a_100016253952_100000702099 [0,1,0,0,0,0|3,0,0]=4 840 B11R0.318 CC(OCCC(C)(C)C)C(=O)N 7a_100000765024_100000702099 [0,1,0,0,0,0|3,0,0]=4 841 B11R0.318 CC(SCCC(C)(C)C)C(=O)N 62a_100000702099_100000755188 [0,1,0,0,0,0|3,0,0]=4 842 B11R0.318 CC(SCCC(C)(C)C)C(=O)N 62a_100000755188_100000702099 [0,1,0,0,0,0|3,0,0]=4 843 B11R0.318 CC(SCCC(C)(C)O)C(=O)N 62a_100000702099_100000702414 [0,1,0,0,0,0|2,0,0]=3 844 B11R0.318 CC(SCCC(C)(C)O)C(=O)N 62a_100000702414_100000702099 [0,1,0,0,0,0|2,0,0]=3 845 B11R0.318 C[C@@H](NCCC(C)(C)C)C(=O)N 2230a_100000119354_100000755188 [0,1,0,0,0,0|3,0,0]=4 846 B11R0.318 C[C@@H](NCCC(C)(C)C)C(=O)N 34a_100000119354_100000755188 [0,1,0,0,0,0|3,0,0]=4 847 B11R0.318 C[C@@H](NCCC(C)(C)O)C(=O)N 2230a_100000119354_100000702414 [0,1,0,0,0,0|2,0,0]=3 848 B11R0.318 C[C@@H](NCCC(C)(C)O)C(=O)N 34a_100000119354_100000702414 [0,1,0,0,0,0|2,0,0]=3 849 B11R0.318 C[C@@H](OCCC(C)(C)C)C(=O)N 34a_100000731257_100000755188 [0,1,0,0,0,0|3,0,0]=4 850 B11R0.318 C[C@@H](OCCC(C)(C)C)C(=O)N 7a_100000731257_100000755188 [0,1,0,0,0,0|3,0,0]=4 851 B11R0.318 C[C@@H](OCCC(C)(C)O)C(=O)N 34a_100000731257_100000702414 [0,1,0,0,0,0|2,0,0]=3 852 B11R0.318 C[C@@H](OCCC(C)(C)O)C(=O)N 7a_100000731257_100000702414 [0,1,0,0,0,0|2,0,0]=3 853 B11R0.318 C[C@H](NCCC(C)(C)C)C(=O)O 269956a_100000743915_100000755188 [0,1,0,0,0,0|3,0,0]=4 854 B11R0.318 C[C@H](NCCC(C)(C)O)C(=O)O 269956a_100000743915_100000702414 [0,1,0,0,0,0|2,0,0]=3 855 B11R0.318 C[C@H](OCCC(C)(C)C)C(=O)[O-] 7a_217856618621_100000755188 [0,1,0,0,0,0|3,0,0]=4 856 B11R0.318 C[C@H](OCCC(C)(C)O)C(=O)[O-] 7a_217856618621_100000702414 [0,1,0,0,0,0|2,0,0]=3 857 B11R0.320 C=CC(=O)CCCC(C)(C)C#N 1458a_100000185746_100000759902 [0,1,0,0,0,0|2,0,1]=4 858 B11R0.320 C=CC(C)CCCC(C)(C)OC 7a_100000032255_200000210301 [0,1,0,0,0,0|0,0,0]=1 859 B11R0.320 C=CC(C)CCCC(C)(C)O[13CH3] 7a_100000032255_200025704644 [0,1,0,0,0,0|0,0,0]=1 860 B11R0.320 C=CC(C)COCC(C)(C)CO 34a_100011215527_100009813988 [0,1,0,0,0,0|1,0,0]=2 861 B11R0.320 C=CC(C)COCC(C)(C)CO 7a_100011215527_100009813988 [0,1,0,0,0,0|1,0,0]=2 862 B11R0.320 C=CC(C)COCC(C)(C)OC 34a_100011215527_100000701081 [0,1,0,0,0,0|1,0,0]=2 863 B11R0.320 C=CC(O)CNCC(C)(C)CO 2230a_100020635058_100000730141 [0,1,0,0,0,0|2,0,0]=3 864 B11R0.320 C=CC(O)CNCC(C)(C)OC 2230a_100000763424_100000730141 [0,1,0,0,0,0|2,0,0]=3 865 B11R0.320 C=CC(O)COCC(C)(C)CC 7a_100000765029_100000730141 [0,1,0,0,0,0|3,0,0]=4 866 B11R0.320 C=CC(O)COCC(C)(C)CCl 7a_100011217199_100000730141 [0,1,0,0,0,0|3,0,0]=4 867 B11R0.320 C=CC(O)CSCC(C)(C)CO 62a_100000730141_100009813988 [0,1,0,0,0,0|2,0,0]=3 868 B11R0.320 C=CC(O)CSCC(C)(C)CO 62a_100009813988_100000730141 [0,1,0,0,0,0|2,0,0]=3 869 B11R0.320 C=CC(O)CSCC(C)(C)OC 62a_100000701081_100000730141 [0,1,0,0,0,0|2,0,0]=3 870 B11R0.320 C=CC(O)CSCC(C)(C)OC 62a_100000730141_100000701081 [0,1,0,0,0,0|2,0,0]=3 871 B11R0.320 C=C[C@H](N)COCC(C)(C)CO 34a_100016989147_100009813988 [0,1,0,0,0,0|2,0,0]=3 872 B11R0.320 C=C[C@H](N)COCC(C)(C)OC 34a_100016989147_100000701081 [0,1,0,0,0,0|2,0,0]=3 873 B11R0.320 CC(CN)COCC(C)(C)CO 34a_100000744482_100009813988 [0,1,0,0,0,0|2,0,1]=4 874 B11R0.320 CC(CO)CNCC(C)(C)CO 34a_100000744482_100009813988 [0,1,0,0,0,0|2,0,1]=4 875 B11R0.320 CCC(C)CNCC(C)(C)CO 2230a_100020635058_100000748023 [0,1,0,0,0,0|1,0,2]=4 876 B11R0.320 CCC(C)CNCC(C)(C)CO 270004a_100020635058_100000243153 [0,1,0,0,0,0|1,0,2]=4 877 B11R0.320 CCC(C)CNCC(C)(C)OC 2230a_100000763424_100000748023 [0,1,0,0,0,0|1,0,2]=4 878 B11R0.320 CCC(C)CNCC(C)(C)OC 270004a_100000763424_100000243153 [0,1,0,0,0,0|1,0,2]=4 879 B11R0.320 CCC(C)CSCC(C)(C)CO 62a_100000748023_100009813988 [0,1,0,0,0,0|1,0,2]=4 880 B11R0.320 CCC(C)CSCC(C)(C)CO 62a_100009813988_100000748023 [0,1,0,0,0,0|1,0,2]=4 881 B11R0.320 CCC(C)CSCC(C)(C)OC 62a_100000701081_100000748023 [0,1,0,0,0,0|1,0,2]=4 882 B11R0.320 CCC(C)CSCC(C)(C)OC 62a_100000748023_100000701081 [0,1,0,0,0,0|1,0,2]=4 883 B11R0.320 CCC(C)OCCC(C)(C)OC 7a_100000699976_100000758301 [0,1,0,0,0,0|1,0,2]=4 884 B11R0.320 CC[C@H](C)CNCC(C)(C)CO 2230a_100020635058_100009816398 [0,1,0,0,0,0|1,0,2]=4 885 B11R0.320 CC[C@H](C)CNCC(C)(C)OC 2230a_100000763424_100009816398 [0,1,0,0,0,0|1,0,2]=4 886 B11R0.320 CC[C@H](C)COCC(C)(C)CO 7a_100009816381_100009813988 [0,1,0,0,0,0|1,0,2]=4 887 B11R0.320 CC[C@H](C)CSCC(C)(C)CO 62a_100009813988_100009816398 [0,1,0,0,0,0|1,0,2]=4 888 B11R0.320 CC[C@H](C)CSCC(C)(C)CO 62a_100009816398_100009813988 [0,1,0,0,0,0|1,0,2]=4 889 B11R0.320 CC[C@H](C)CSCC(C)(C)OC 62a_100000701081_100009816398 [0,1,0,0,0,0|1,0,2]=4 890 B11R0.320 CC[C@H](C)CSCC(C)(C)OC 62a_100009816398_100000701081 [0,1,0,0,0,0|1,0,2]=4 891 B11R0.320 COC(C)(C)CCOC(C)C#N 7a_100000699976_100000703298 [0,1,0,0,0,0|2,0,1]=4 892 B11R0.320 COC(C)(C)CCOC(C)CO 7a_100000699976_100012180447 [0,1,0,0,0,0|2,0,1]=4 893 B11R0.320 COC(C)(C)CNCC(C)CO 34a_100000744482_100000701081 [0,1,0,0,0,0|2,0,1]=4 894 B11R0.320 COC(C)(C)CNC[C@@H](C)CO 2230a_100000763424_100000059175 [0,1,0,0,0,0|2,0,1]=4 895 B11R0.320 COC(C)(C)COCC(C)CN 34a_100000744482_100000701081 [0,1,0,0,0,0|2,0,1]=4 896 B11R0.320 COC(C)(C)CSC[C@@H](C)CO 62a_100000059175_100000701081 [0,1,0,0,0,0|2,0,1]=4 897 B11R0.320 COC(C)(C)CSC[C@@H](C)CO 62a_100000701081_100000059175 [0,1,0,0,0,0|2,0,1]=4 898 B11R0.320 COC(C)COCC(C)(C)CO 34a_100000690652_100009813988 [0,1,0,0,0,0|2,0,1]=4 899 B11R0.320 COC(C)COCC(C)(C)OC 34a_100000690652_100000701081 [0,1,0,0,0,0|2,0,1]=4 900 B11R0.320 C[C@@H](CO)CNCC(C)(C)CO 2230a_100020635058_100000059175 [0,1,0,0,0,0|2,0,1]=4 901 B11R0.320 C[C@@H](CO)CSCC(C)(C)CO 62a_100000059175_100009813988 [0,1,0,0,0,0|2,0,1]=4 902 B11R0.320 C[C@@H](CO)CSCC(C)(C)CO 62a_100009813988_100000059175 [0,1,0,0,0,0|2,0,1]=4 903 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 2230a_100025784243_200025704644 [0,0,0,1,0,0|1,0,2]=4 904 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 269982a_100025784243_200025704644 [0,0,0,1,0,0|1,0,2]=4 905 B11R1.19 CC(C)(O)C1CCN(CC1)[13CH3] 34a_100025784243_200025704644 [0,0,0,1,0,0|1,0,2]=4 906 B11R1.19 CN1CCC(CC1)C(C)(C)O 2230a_100025784243_200000210301 [0,0,0,1,0,0|1,0,2]=4 907 B11R1.19 CN1CCC(CC1)C(C)(C)O 269982a_100025784243_200000210301 [0,0,0,1,0,0|1,0,2]=4 908 B11R1.19 CN1CCC(CC1)C(C)(C)O 34a_100025784243_200000210301 [0,0,0,1,0,0|1,0,2]=4 909 B11R1.45 CC(C)(O)[C@@H]1CCN(C1)CF 269982a_100132313854_100015361967 [0,0,0,1,0,0|2,0,1]=4 910 B11R1.45 CC(C)(O)[C@@H]1CCN(C1)CF 34a_100132313854_100015361967 [0,0,0,1,0,0|2,0,1]=4 911 B11R1.45 CCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000210202 [0,0,0,1,0,0|1,0,2]=4 912 B11R1.45 CCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000204670 [0,0,0,1,0,0|1,0,2]=4 913 B11R1.45 CCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100000210202 [0,0,0,1,0,0|1,0,2]=4 914 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)O 34a_100016987628_100000764493 [0,0,0,1,0,0|1,0,2]=4 915 B11R1.148 CC(C)(O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000702414 [0,0,0,1,0,0|2,0,1]=4 916 B11R1.148 CC(C)(O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000702414 [0,0,0,1,0,0|2,0,1]=4 917 B11R1.148 CC(C)(O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000702414 [0,0,0,1,0,0|2,0,1]=4 918 B11R1.148 CC1CC1COCC(C)(C)O 34a_100000744939_100000764493 [0,0,0,1,0,0|1,0,2]=4 919 B11R1.148 CC1CC1COCC(C)(C)O 7a_100000744939_100000764493 [0,0,0,1,0,0|1,0,2]=4 920 B11R1.160 CC1CCN1CCC(C)(C)O 34a_100000755817_100000702414 [0,0,0,1,0,0|1,0,2]=4 921 B11R1.263 CC(C)(O)CN1CC(C1)CF 34a_100010363649_100000764493 [0,0,0,1,0,0|2,0,1]=4 922 B11R1.263 CC(C)(O)CN1CC(C1)CO 34a_100016987283_100000764493 [0,0,0,1,0,0|2,0,1]=4 923 B11R1.344 CC(C)(O)CCCN1CCC1 269982a_100000754969_100009888830 [0,0,0,1,0,0|1,0,2]=4 924 B11R1.344 CC(C)(O)CCNC1CCC1 2230a_100000749019_100000702414 [0,0,0,1,0,0|1,0,2]=4 925 B11R1.344 CC(C)(O)CCNC1CCC1 270004a_100000707701_100000241760 [0,0,0,1,0,0|1,0,2]=4 926 B11R1.344 CC(C)(O)CCNC1CCC1 34a_100000749019_100000702414 [0,0,0,1,0,0|1,0,2]=4 927 B11R1.344 CC(C)(O)CCNC1COC1 2230a_100016991112_100000702414 [0,0,0,1,0,0|2,0,1]=4 928 B11R1.344 CC(C)(O)CCOC1CCC1 34a_100000748187_100000702414 [0,0,0,1,0,0|1,0,2]=4 929 B11R1.344 CC(C)(O)CCOC1CSC1 7a_100000072292_100000702414 [0,0,0,1,0,0|2,0,1]=4 930 B11R1.344 CC(C)(O)CCSC1CCC1 62a_100000702414_100000749161 [0,0,0,1,0,0|1,0,2]=4 931 B11R1.344 CC(C)(O)CCSC1COC1 62a_100000702414_100009818527 [0,0,0,1,0,0|2,0,1]=4 932 B11R1.344 CC(C)(O)CNCC1CCC1 2230a_100000751335_100000763275 [0,0,0,1,0,0|1,0,2]=4 933 B11R1.344 CC(C)(O)CNCC1CCC1 269862a_100000751335_100000753134 [0,0,0,1,0,0|1,0,2]=4 934 B11R1.344 CC(C)(O)CNCC1CCC1 34a_100000738700_100000764493 [0,0,0,1,0,0|1,0,2]=4 935 B11R1.344 CC(C)(O)CNCC1CCO1 2230a_100000751335_100000103362 [0,0,0,1,0,0|2,0,1]=4 936 B11R1.344 CC(C)(O)CNCC1COC1 2230a_100000751335_100010264016 [0,0,0,1,0,0|2,0,1]=4 937 B11R1.344 CC(C)(O)CNCC1COC1 34a_100015281925_100000764493 [0,0,0,1,0,0|2,0,1]=4 938 B11R1.344 CC(C)(O)CNC[C@@H]1CCO1 34a_100020831831_100000764493 [0,0,0,1,0,0|2,0,1]=4 939 B11R1.344 CC(C)(O)COCC1CCC1 34a_100000760304_100000764493 [0,0,0,1,0,0|1,0,2]=4 940 B11R1.344 CC(C)(O)COCC1CCO1 34a_100000039022_100000764493 [0,0,0,1,0,0|2,0,1]=4 941 B11R1.344 CC(C)(O)COCC1CNC1 34a_100016987283_100000764493 [0,0,0,1,0,0|2,0,1]=4 942 B11R1.344 CC(C)(O)COCC1COC1 34a_100000060846_100000764493 [0,0,0,1,0,0|2,0,1]=4 943 B11R1.344 CC(C)(O)CSCC1CCC1 62a_100000763275_100000764493 [0,0,0,1,0,0|1,0,2]=4 944 B11R1.344 CC(C)(O)CSCC1CCC1 62a_100000764493_100000763275 [0,0,0,1,0,0|1,0,2]=4 945 B11R1.344 CC(C)(O)CSCC1CCO1 62a_100000103362_100000764493 [0,0,0,1,0,0|2,0,1]=4 946 B11R1.344 CC(C)(O)CSCC1CCO1 62a_100000764493_100000103362 [0,0,0,1,0,0|2,0,1]=4 947 B11R1.344 CC(C)(O)CSCC1COC1 62a_100000764493_100010264016 [0,0,0,1,0,0|2,0,1]=4 948 B11R1.344 CC(C)(O)CSCC1COC1 62a_100010264016_100000764493 [0,0,0,1,0,0|2,0,1]=4 949 B11R1.522 CC(C)(O)CCNC1(CC1)C 2230a_100000757604_100000702414 [0,0,0,1,0,0|1,0,2]=4 950 B11R1.522 CC(C)(O)CCOC1(CC1)C 7a_100011725673_100000702414 [0,0,0,1,0,0|1,0,2]=4 951 B11R1.522 CC(C)(O)COCC1(CC1)C 7a_100000698024_100000764493 [0,0,0,1,0,0|1,0,2]=4 952 B11R1.522 CC(C)(O)CSCC1(CO1)C 62a_100000760498_100000764493 [0,0,0,1,0,0|2,0,1]=4 953 B11R1.522 CC(C)(O)CSCC1(CO1)C 62a_100000764493_100000760498 [0,0,0,1,0,0|2,0,1]=4 954 B11R1.858 C#CC(C)OCC1OC1(C)C 34a_200010283642_200000035995 [0,0,0,1,0,0|1,0,2]=4 955 B11R1.858 C=CC(C)OCC1CC1(F)F 34a_100000695699_100009817841 [0,0,0,1,0,0|3,0,0]=4 956 B11R1.858 C=CC(C)SCC1CC1(F)F 62a_100011215867_100009817841 [0,0,0,1,0,0|3,0,0]=4 957 B11R1.858 CC(C#N)OCC1OC1(C)C 7a_200010283642_100000703298 [0,0,0,1,0,0|2,0,1]=4 958 B11R1.858 CC(CO)OCC1OC1(C)C 34a_200010283642_100012180447 [0,0,0,1,0,0|2,0,1]=4 959 B11R1.858 CC(CO)OCC1OC1(C)C 7a_200010283642_100012180447 [0,0,0,1,0,0|2,0,1]=4 960 B11R1.858 CCC(C)OCC1OC1(C)C 34a_200010283642_100011215416 [0,0,0,1,0,0|1,0,2]=4 961 B11R1.858 CCC(C)OCC1OC1(C)C 7a_200010283642_100000758301 [0,0,0,1,0,0|1,0,2]=4 962 B11R1.866 C=CC(=O)N1CCC(C1)(C)O 240690a_100000718628_200121576911 [0,0,0,1,0,0|2,0,1]=4 963 B11R1.866 C=CC(C)N1CCC(C1)(C)C 269982a_100000764714_100011215867 [0,0,0,1,0,0|2,0,0]=3 964 B11R1.866 C=CC(C)N1CCC(C1)(C)O 269982a_100000718628_100011215867 [0,0,0,1,0,0|1,0,0]=2 965 B11R1.866 C=CC(C)N1CCC(C1)(F)F 269982a_100000697292_100011215867 [0,0,0,1,0,0|3,0,0]=4 966 B11R1.866 CC(C#N)N1CCC(C1)(C)O 2230a_100000718628_100000184139 [0,0,0,1,0,0|2,0,1]=4 967 B11R1.866 CC(C#N)N1CCC(C1)(C)O 269982a_100000718628_100000703298 [0,0,0,1,0,0|2,0,1]=4 968 B11R1.866 CC(CO)N1CCC(C1)(C)O 2230a_100000718628_100012180447 [0,0,0,1,0,0|2,0,1]=4 969 B11R1.866 CCC(C)N1CCC(C1)(C)O 2230a_100000718628_100000758301 [0,0,0,1,0,0|1,0,2]=4 970 B11R1.866 CCC(C)N1CCC(C1)(C)O 269982a_100000718628_100000758301 [0,0,0,1,0,0|1,0,2]=4 971 B11R1.866 COC(C)N1CCC(C1)(C)O 269982a_100000718628_100009879195 [0,0,0,1,0,0|2,0,1]=4 972 B11R1.866 C[C@H](CO)N1CCC(C1)(C)O 269982a_100000718628_100016084084 [0,0,0,1,0,0|2,0,1]=4 973 B11R1.897 C=CC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100000185746 [0,0,0,1,0,0|2,0,1]=4 974 B11R1.897 C=CC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_200121576911 [0,0,0,1,0,0|2,0,1]=4 975 B11R1.897 C=CC(C)OC1CC(C1)(F)F 34a_100000695699_100010741680 [0,0,0,1,0,0|3,0,0]=4 976 B11R1.897 C=CC(O)CN1CC(C1)(C)C 2230a_100000753659_100000730141 [0,0,0,1,0,0|3,0,0]=4 977 B11R1.897 C=CC(O)CN1CC(C1)(C)F 2230a_100000696199_100000730141 [0,0,0,1,0,0|3,0,0]=4 978 B11R1.897 C=CC(O)CN1CC(C1)(C)O 2230a_100000718560_100000730141 [0,0,0,1,0,0|2,0,0]=3 979 B11R1.897 CC(C#N)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000184139 [0,0,0,1,0,0|2,0,1]=4 980 B11R1.897 CC(CO)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100012180447 [0,0,0,1,0,0|2,0,1]=4 981 B11R1.897 CCC(C)CN1CC(C1)(C)O 2230a_100000718560_100000748023 [0,0,0,1,0,0|1,0,2]=4 982 B11R1.897 CCC(C)CN1CC(C1)(C)O 269982a_100000718560_100000748023 [0,0,0,1,0,0|1,0,2]=4 983 B11R1.897 CCC(C)CN1CC(C1)(C)O 270004a_100000718560_100000243153 [0,0,0,1,0,0|1,0,2]=4 984 B11R1.897 CCC(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000758301 [0,0,0,1,0,0|1,0,2]=4 985 B11R1.897 CC[C@H](C)CN1CC(C1)(C)O 2230a_100000718560_100009816398 [0,0,0,1,0,0|1,0,2]=4 986 B11R1.897 CC[C@H](C)CN1CC(C1)(C)O 269982a_100000718560_100009816398 [0,0,0,1,0,0|1,0,2]=4 987 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)O 2230a_100000718560_100000059175 [0,0,0,1,0,0|2,0,1]=4 988 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)O 269982a_100000718560_100000059175 [0,0,0,1,0,0|2,0,1]=4 989 B11R1.950 CC1(CCCN(CC1)CF)O 269982a_100000723723_100015361967 [0,0,0,1,0,0|2,0,1]=4 990 B11R1.950 CC1(CCCN(CC1)CF)O 34a_100000723723_100015361967 [0,0,0,1,0,0|2,0,1]=4 991 B11R1.950 CCN1CCCC(CC1)(C)O 2230a_100000723723_100000210202 [0,0,0,1,0,0|1,0,2]=4 992 B11R1.950 CCN1CCCC(CC1)(C)O 269982a_100000723723_100000204670 [0,0,0,1,0,0|1,0,2]=4 993 B11R1.950 CCN1CCCC(CC1)(C)O 34a_100000723723_100000210202 [0,0,0,1,0,0|1,0,2]=4 994 B11R1.1029 C=CC(C)COCC1(CO1)C 34a_100011215527_100000760498 [0,0,0,1,0,0|1,0,0]=2 995 B11R1.1029 C=CC(O)CNCC1(CC1)C 2230a_100000766693_100000730141 [0,0,0,1,0,0|3,0,0]=4 996 B11R1.1029 C=CC(O)CNCC1(CC1)O 2230a_100011936951_100000730141 [0,0,0,1,0,0|2,0,0]=3 997 B11R1.1029 C=CC(O)COCC1(CC1)C 7a_100000698024_100000730141 [0,0,0,1,0,0|3,0,0]=4 998 B11R1.1029 C=CC(O)COCC1(CC1)F 34a_200000703853_100000730141 [0,0,0,1,0,0|3,0,0]=4 999 B11R1.1029 C=CC(O)COCC1(CC1)F 7a_200000703853_100000730141 [0,0,0,1,0,0|3,0,0]=4 1000 B11R1.1029 C=CC(O)CSCC1(CO1)C 62a_100000730141_100000760498 [0,0,0,1,0,0|2,0,0]=3 1001 B11R1.1029 C=CC(O)CSCC1(CO1)C 62a_100000760498_100000730141 [0,0,0,1,0,0|2,0,0]=3 1002 B11R1.1029 C=C[C@H](N)COCC1(CO1)C 34a_100016989147_100000760498 [0,0,0,1,0,0|2,0,0]=3 1003 B11R1.1029 CC(CN)COCC1(CO1)C 34a_100000744482_100000760498 [0,0,0,1,0,0|2,0,1]=4 1004 B11R1.1029 CC(CO)CNCC1(CO1)C 34a_100000744482_100000760498 [0,0,0,1,0,0|2,0,1]=4 1005 B11R1.1029 CCC(C)CNCC1(CC1)O 2230a_100011936951_100000748023 [0,0,0,1,0,0|1,0,2]=4 1006 B11R1.1029 CCC(C)CNCC1(CC1)O 270004a_100011936951_100000243153 [0,0,0,1,0,0|1,0,2]=4 1007 B11R1.1029 CCC(C)CSCC1(CO1)C 62a_100000748023_100000760498 [0,0,0,1,0,0|1,0,2]=4 1008 B11R1.1029 CCC(C)CSCC1(CO1)C 62a_100000760498_100000748023 [0,0,0,1,0,0|1,0,2]=4 1009 B11R1.1029 CC[C@H](C)CNCC1(CC1)O 2230a_100011936951_100009816398 [0,0,0,1,0,0|1,0,2]=4 1010 B11R1.1029 CC[C@H](C)CSCC1(CO1)C 62a_100000760498_100009816398 [0,0,0,1,0,0|1,0,2]=4 1011 B11R1.1029 CC[C@H](C)CSCC1(CO1)C 62a_100009816398_100000760498 [0,0,0,1,0,0|1,0,2]=4 1012 B11R1.1029 COC(C)COCC1(CO1)C 34a_100000690652_100000760498 [0,0,0,1,0,0|2,0,1]=4 1013 B11R1.1029 C[C@@H](CO)CNCC1(CC1)O 2230a_100011936951_100000059175 [0,0,0,1,0,0|2,0,1]=4 1014 B11R1.1029 C[C@@H](CO)CSCC1(CO1)C 62a_100000059175_100000760498 [0,0,0,1,0,0|2,0,1]=4 1015 B11R1.1029 C[C@@H](CO)CSCC1(CO1)C 62a_100000760498_100000059175 [0,0,0,1,0,0|2,0,1]=4 1016 B9R0.21 C#CC(C)NCC(C)(C)O 34a_100000707721_100000764493 [0,0,0,0,1,0|1,0,2]=4 1017 B9R0.21 C#CC(C)SCC(C)(C)O 62a_200000035995_100000764493 [0,0,0,0,1,0|1,0,2]=4 1018 B9R0.21 C#C[C@@H](C)OCC(C)(C)O 34a_100009815206_100000764493 [0,0,0,0,1,0|1,0,2]=4 1019 B9R0.21 C#C[C@@H](C)OCC(C)(C)O 7a_100009815206_100000764493 [0,0,0,0,1,0|1,0,2]=4 1020 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,0,0,0,1,0|2,0,1]=4 1021 B9R0.21 C=CC(=O)NCC(C)(C)O 1626a_100000751335_100000185746 [0,0,0,0,1,0|2,0,1]=4 1022 B9R0.21 C=CC(=O)NCC(C)(C)O 240690a_100000751335_200121576911 [0,0,0,0,1,0|2,0,1]=4 1023 B9R0.21 C=CC(C)COC(C)(C)C 34a_100011215527_100000210625 [0,0,0,0,1,0|2,0,0]=3 1024 B9R0.21 C=CC(C)OCC(C)(C)C 34a_100000695699_100011219605 [0,0,0,0,1,0|2,0,0]=3 1025 B9R0.21 C=CC(C)OCC(C)(C)F 34a_100000695699_100011997219 [0,0,0,0,1,0|2,0,0]=3 1026 B9R0.21 C=CC(C)OCC(C)(C)O 34a_100000695699_100000764493 [0,0,0,0,1,0|1,0,0]=2 1027 B9R0.21 C=CC(C)SCC(C)(C)C 62a_100011215867_100011219605 [0,0,0,0,1,0|2,0,0]=3 1028 B9R0.21 C=CC(C)SCC(C)(C)F 62a_100011215867_100011997219 [0,0,0,0,1,0|2,0,0]=3 1029 B9R0.21 C=CC(C)SCC(C)(C)O 62a_100011215867_100000764493 [0,0,0,0,1,0|1,0,0]=2 1030 B9R0.21 C=CC(C)SC[N+](C)(C)C 62a_100011215867_200000036245 [0,0,0,0,1,0|3,0,0]=4 1031 B9R0.21 C=CC(C)SC[Si](C)(C)C 62a_100011215867_100000037933 [0,0,0,0,1,0|2,1,0]=4 1032 B9R0.21 C=CC(O)CNC(C)(C)C 2230a_100000715429_100000730141 [0,0,0,0,1,0|3,0,0]=4 1033 B9R0.21 C=CC(O)COC(C)(C)C 34a_100015890283_100000730141 [0,0,0,0,1,0|3,0,0]=4 1034 B9R0.21 C=CC(O)COC(C)(C)C 7a_100015890283_100000730141 [0,0,0,0,1,0|3,0,0]=4 1035 B9R0.21 C=CC(O)CSC(C)(C)C 62a_100000211941_100000730141 [0,0,0,0,1,0|3,0,0]=4 1036 B9R0.21 C=CC(O)CSC(C)(C)C 62a_100000730141_100000211941 [0,0,0,0,1,0|3,0,0]=4 1037 B9R0.21 C=C[C@H](N)COC(C)(C)C 34a_100016989147_100000210625 [0,0,0,0,1,0|3,0,0]=4 1038 B9R0.21 CC(C#N)NCC(C)(C)O 2230a_100000751335_100000184139 [0,0,0,0,1,0|2,0,1]=4 1039 B9R0.21 CC(C#N)OCC(C)(C)O 34a_100011218135_100000764493 [0,0,0,0,1,0|2,0,1]=4 1040 B9R0.21 CC(C#N)SCC(C)(C)O 62a_100000703298_100000764493 [0,0,0,0,1,0|2,0,1]=4 1041 B9R0.21 CC(C#N)SCC(C)(C)O 62a_100000764493_100000703298 [0,0,0,0,1,0|2,0,1]=4 1042 B9R0.21 CC(CF)OCC(C)(C)O 34a_100016041109_100000764493 [0,0,0,0,1,0|2,0,1]=4 1043 B9R0.21 CC(CF)OCC(C)(C)O 7a_100016041109_100000764493 [0,0,0,0,1,0|2,0,1]=4 1044 B9R0.21 CC(CN)OCC(C)(C)O 34a_100000210904_100000764493 [0,0,0,0,1,0|2,0,1]=4 1045 B9R0.21 CC(CO)NCC(C)(C)O 2230a_100000751335_100012180447 [0,0,0,0,1,0|2,0,1]=4 1046 B9R0.21 CC(CO)SCC(C)(C)O 62a_100012180447_100000764493 [0,0,0,0,1,0|2,0,1]=4 1047 B9R0.21 CCC(C)NCC(C)(C)O 2230a_100000751335_100000758301 [0,0,0,0,1,0|1,0,2]=4 1048 B9R0.21 CCC(C)OCC(C)(C)O 7a_100000210228_100000764493 [0,0,0,0,1,0|1,0,2]=4 1049 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000758301_100000764493 [0,0,0,0,1,0|1,0,2]=4 1050 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000764493_100000758301 [0,0,0,0,1,0|1,0,2]=4 1051 B9R0.21 CCN(C)CCC(C)(C)O 2230a_100000225621_100000702414 [0,0,0,0,1,0|1,0,2]=4 1052 B9R0.21 COC(C)SCC(C)(C)O 62a_100000764493_100009879195 [0,0,0,0,1,0|2,0,1]=4 1053 B9R0.21 COC(C)SCC(C)(C)O 62a_100009879195_100000764493 [0,0,0,0,1,0|2,0,1]=4 1054 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100000764493_100016084084 [0,0,0,0,1,0|2,0,1]=4 1055 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100016084084_100000764493 [0,0,0,0,1,0|2,0,1]=4 1056 B11R0.114 C#CC(C)NCCCC(C)(C)O 2230a_100000707721_100009888830 [0,0,0,0,0,1|0,0,2]=3 1057 B11R0.114 C#CC(C)NCCCC(C)(C)O 34a_100000707721_100009888830 [0,0,0,0,0,1|0,0,2]=3 1058 B11R0.114 C#CC(C)SCCCC(C)(C)O 62a_200000035995_100009888830 [0,0,0,0,0,1|0,0,2]=3 1059 B11R0.114 C#C[C@@H](C)OCCCC(C)(C)O 34a_100009815206_100009888830 [0,0,0,0,0,1|0,0,2]=3 1060 B11R0.114 C#C[C@@H](C)OCCCC(C)(C)O 7a_100009815206_100009888830 [0,0,0,0,0,1|0,0,2]=3 1061 B11R0.114 C=CC(C)COCCC(C)(C)C 34a_100011215527_100000755188 [0,0,0,0,0,1|1,0,0]=2 1062 B11R0.114 C=CC(C)COCCC(C)(C)C 7a_100011215527_100000755188 [0,0,0,0,0,1|1,0,0]=2 1063 B11R0.114 C=CC(C)COCCC(C)(C)O 34a_100011215527_100000702414 [0,0,0,0,0,1|0,0,0]=1 1064 B11R0.114 C=CC(C)COCCC(C)(C)O 7a_100011215527_100000702414 [0,0,0,0,0,1|0,0,0]=1 1065 B11R0.114 C=CC(C)COCCC(F)(F)F 34a_100011215527_100011219754 [0,0,0,0,0,1|3,0,0]=4 1066 B11R0.114 C=CC(C)COCCC(F)(F)F 7a_100011215527_100011219754 [0,0,0,0,0,1|3,0,0]=4 1067 B11R0.114 C=CC(C)COCCS(=O)(=O)C 34a_100011215527_100000731031 [0,0,0,0,0,1|2,0,1]=4 1068 B11R0.114 C=CC(C)COCCS(=O)(=O)C 7a_100011215527_100000230027 [0,0,0,0,0,1|2,0,1]=4 1069 B11R0.114 C=CC(C)COCC[N+](C)(C)C 34a_100011215527_100000085578 [0,0,0,0,0,1|2,0,0]=3 1070 B11R0.114 C=CC(C)COCC[N+](C)(C)C 7a_100011215527_100000085578 [0,0,0,0,0,1|2,0,0]=3 1071 B11R0.114 C=CC(C)COCC[Si](C)(C)C 34a_100011215527_200000733723 [0,0,0,0,0,1|1,1,0]=3 1072 B11R0.114 C=CC(C)COCC[Si](C)(C)C 7a_100011215527_200000733723 [0,0,0,0,0,1|1,1,0]=3 1073 B11R0.114 C=CC(C)OCCCC(C)(C)O 34a_100000695699_100009888830 [0,0,0,0,0,1|0,0,0]=1 1074 B11R0.114 C=CC(C)OCCCC(F)(F)F 34a_100000695699_100011215983 [0,0,0,0,0,1|3,0,0]=4 1075 B11R0.114 C=CC(C)OCCCS(=O)(=O)C 34a_100000695699_100000754308 [0,0,0,0,0,1|2,0,1]=4 1076 B11R0.114 C=CC(C)OCCC[N+](C)(C)C 34a_100000695699_100016990835 [0,0,0,0,0,1|2,0,0]=3 1077 B11R0.114 C=CC(C)OCCC[Si](C)(C)C 34a_100000695699_100011219597 [0,0,0,0,0,1|1,1,0]=3 1078 B11R0.114 C=CC(C)OCCO[Si](C)(C)C 34a_100000695699_200000032530 [0,0,0,0,0,1|2,1,0]=4 1079 B11R0.114 C=CC(C)SCCCC(C)(C)O 62a_100011215867_100009888830 [0,0,0,0,0,1|0,0,0]=1 1080 B11R0.114 C=CC(C)SCCCC(F)(F)F 62a_100011215867_100011216173 [0,0,0,0,0,1|3,0,0]=4 1081 B11R0.114 C=CC(C)SCCCS(=O)(=O)C 62a_100011215867_100000754308 [0,0,0,0,0,1|2,0,1]=4 1082 B11R0.114 C=CC(C)SCCC[N+](C)(C)C 62a_100011215867_100016990835 [0,0,0,0,0,1|2,0,0]=3 1083 B11R0.114 C=CC(C)SCCC[Si](C)(C)C 62a_100011215867_100011219597 [0,0,0,0,0,1|1,1,0]=3 1084 B11R0.114 C=CC(C)SCCO[Si](C)(C)C 62a_100011215867_200000032530 [0,0,0,0,0,1|2,1,0]=4 1085 B11R0.114 C=CC(O)CNCCC(C)(C)C 2230a_100000738805_100000730141 [0,0,0,0,0,1|2,0,0]=3 1086 B11R0.114 C=CC(O)CNCCC(C)(C)F 2230a_100016253952_100000730141 [0,0,0,0,0,1|2,0,0]=3 1087 B11R0.114 C=CC(O)COCCC(C)(C)C 7a_100000765024_100000730141 [0,0,0,0,0,1|2,0,0]=3 1088 B11R0.114 C=CC(O)COCC[N+](C)(C)C 7a_200020618287_100000730141 [0,0,0,0,0,1|3,0,0]=4 1089 B11R0.114 C=CC(O)COCC[Si](C)(C)C 7a_100000039746_100000730141 [0,0,0,0,0,1|2,1,0]=4 1090 B11R0.114 C=CC(O)CSCCC(C)(C)C 62a_100000730141_100000755188 [0,0,0,0,0,1|2,0,0]=3 1091 B11R0.114 C=CC(O)CSCCC(C)(C)C 62a_100000755188_100000730141 [0,0,0,0,0,1|2,0,0]=3 1092 B11R0.114 C=CC(O)CSCCC(C)(C)O 62a_100000702414_100000730141 [0,0,0,0,0,1|1,0,0]=2 1093 B11R0.114 C=CC(O)CSCCC(C)(C)O 62a_100000730141_100000702414 [0,0,0,0,0,1|1,0,0]=2 1094 B11R0.114 C=CC(O)CSCC[N+](C)(C)C 62a_100000085578_100000730141 [0,0,0,0,0,1|3,0,0]=4 1095 B11R0.114 C=CC(O)CSCC[N+](C)(C)C 62a_100000730141_100000085578 [0,0,0,0,0,1|3,0,0]=4 1096 B11R0.114 C=CC(O)CSCC[Si](C)(C)C 62a_100000730141_200000733723 [0,0,0,0,0,1|2,1,0]=4 1097 B11R0.114 C=CC(O)CSCC[Si](C)(C)C 62a_200000733723_100000730141 [0,0,0,0,0,1|2,1,0]=4 1098 B11R0.114 C=C[C@H](N)COCCC(C)(C)C 34a_100016989147_100000755188 [0,0,0,0,0,1|2,0,0]=3 1099 B11R0.114 C=C[C@H](N)COCCC(C)(C)O 34a_100016989147_100000702414 [0,0,0,0,0,1|1,0,0]=2 1100 B11R0.114 C=C[C@H](N)COCC[N+](C)(C)C 34a_100016989147_100000085578 [0,0,0,0,0,1|3,0,0]=4 1101 B11R0.114 C=C[C@H](N)COCC[Si](C)(C)C 34a_100016989147_200000733723 [0,0,0,0,0,1|2,1,0]=4 1102 B11R0.114 CC(C#N)NCCCC(C)(C)O 2230a_100000737613_100009888830 [0,0,0,0,0,1|1,0,1]=3 1103 B11R0.114 CC(C#N)OCCCC(C)(C)O 34a_100011218135_100009888830 [0,0,0,0,0,1|1,0,1]=3 1104 B11R0.114 CC(C#N)SCCCC(C)(C)O 62a_100000703298_100009888830 [0,0,0,0,0,1|1,0,1]=3 1105 B11R0.114 CC(C#N)SCCCC(C)(C)O 62a_100009888830_100000703298 [0,0,0,0,0,1|1,0,1]=3 1106 B11R0.114 CC(C)(O)CCCSC(F)C#N 62a_100009888830_200000117898 [0,0,0,0,0,1|2,0,1]=4 1107 B11R0.114 CC(C)(O)CCCSC(F)C#N 62a_200000117898_100009888830 [0,0,0,0,0,1|2,0,1]=4 1108 B11R0.114 CC(C)(O)CCNC[C@@H](F)CO 34a_100015665980_100000702414 [0,0,0,0,0,1|2,0,1]=4 1109 B11R0.114 CC(C)(O)CCNC[C@H](O)CO 2230a_100020644852_100000702414 [0,0,0,0,0,1|2,0,1]=4 1110 B11R0.114 CC(C)(O)CCOCC(Cl)CCl 34a_100000033668_100000702414 [0,0,0,0,0,1|2,0,1]=4 1111 B11R0.114 CC(C)(O)CCOC[C@H](F)CN 34a_100015665980_100000702414 [0,0,0,0,0,1|2,0,1]=4 1112 B11R0.114 CC(C)(O)CCSCC(O)CO 62a_100000702414_100011219619 [0,0,0,0,0,1|2,0,1]=4 1113 B11R0.114 CC(C)(O)CCSCC(O)CO 62a_100011219619_100000702414 [0,0,0,0,0,1|2,0,1]=4 1114 B11R0.114 CC(C)(O)CCSC[C@@H](O)CF 62a_100000702414_100015614560 [0,0,0,0,0,1|2,0,1]=4 1115 B11R0.114 CC(C)(O)CCSC[C@@H](O)CF 62a_100015614560_100000702414 [0,0,0,0,0,1|2,0,1]=4 1116 B11R0.114 CC(C)(O)CCSC[C@@H](O)CO 62a_100000702414_100009815848 [0,0,0,0,0,1|2,0,1]=4 1117 B11R0.114 CC(C)(O)CCSC[C@@H](O)CO 62a_100009815848_100000702414 [0,0,0,0,0,1|2,0,1]=4 1118 B11R0.114 CC(CF)OCCCC(C)(C)O 34a_100016041109_100009888830 [0,0,0,0,0,1|1,0,1]=3 1119 B11R0.114 CC(CF)OCCCC(C)(C)O 7a_100016041109_100009888830 [0,0,0,0,0,1|1,0,1]=3 1120 B11R0.114 CC(CN)COCCC(C)(C)C 34a_100000744482_100000755188 [0,0,0,0,0,1|2,0,1]=4 1121 B11R0.114 CC(CN)COCCC(C)(C)O 34a_100000744482_100000702414 [0,0,0,0,0,1|1,0,1]=3 1122 B11R0.114 CC(CN)OCCCC(C)(C)O 34a_100000210904_100009888830 [0,0,0,0,0,1|1,0,1]=3 1123 B11R0.114 CC(CO)CCNCC(C)(C)C 270004a_106354213184_100011204126 [0,0,0,0,0,1|2,0,1]=4 1124 B11R0.114 CC(CO)CCNCC(C)(C)C 34a_106354213184_100011219605 [0,0,0,0,0,1|2,0,1]=4 1125 B11R0.114 CC(CO)CCNCC(C)(C)F 34a_106354213184_100011997219 [0,0,0,0,0,1|2,0,1]=4 1126 B11R0.114 CC(CO)CCNCC(C)(C)O 34a_106354213184_100000764493 [0,0,0,0,0,1|1,0,1]=3 1127 B11R0.114 CC(CO)CNCCC(C)(C)C 34a_100000744482_100000755188 [0,0,0,0,0,1|2,0,1]=4 1128 B11R0.114 CC(CO)CNCCC(C)(C)O 34a_100000744482_100000702414 [0,0,0,0,0,1|1,0,1]=3 1129 B11R0.114 CC(CO)SCCCC(C)(C)O 62a_100012180447_100009888830 [0,0,0,0,0,1|1,0,1]=3 1130 B11R0.114 CCC(C)CCNCC(C)(C)C 270004a_100020591266_100011204126 [0,0,0,0,0,1|1,0,2]=4 1131 B11R0.114 CCC(C)CCOCC(C)(C)O 7a_100011215188_100000764493 [0,0,0,0,0,1|0,0,2]=3 1132 B11R0.114 CCC(C)CNCCC(C)(C)C 2230a_100000738805_100000748023 [0,0,0,0,0,1|1,0,2]=4 1133 B11R0.114 CCC(C)CNCCC(C)(C)C 2230a_100020588543_100000755188 [0,0,0,0,0,1|1,0,2]=4 1134 B11R0.114 CCC(C)CNCCC(C)(C)C 270004a_100000738805_100000243153 [0,0,0,0,0,1|1,0,2]=4 1135 B11R0.114 CCC(C)CNCCC(C)(C)F 2230a_100016253952_100000748023 [0,0,0,0,0,1|1,0,2]=4 1136 B11R0.114 CCC(C)CNCCC(C)(C)F 270004a_100016253952_100000243153 [0,0,0,0,0,1|1,0,2]=4 1137 B11R0.114 CCC(C)CNCCC(C)(C)O 2230a_100020588543_100000702414 [0,0,0,0,0,1|0,0,2]=3 1138 B11R0.114 CCC(C)CNCCC(C)(C)O 270004a_100000707701_100000243153 [0,0,0,0,0,1|0,0,2]=3 1139 B11R0.114 CCC(C)COCCC(C)(C)C 7a_100000765024_100000748023 [0,0,0,0,0,1|1,0,2]=4 1140 B11R0.114 CCC(C)CSCCC(C)(C)C 62a_100000748023_100000755188 [0,0,0,0,0,1|1,0,2]=4 1141 B11R0.114 CCC(C)CSCCC(C)(C)C 62a_100000755188_100000748023 [0,0,0,0,0,1|1,0,2]=4 1142 B11R0.114 CCC(C)CSCCC(C)(C)O 62a_100000702414_100000748023 [0,0,0,0,0,1|0,0,2]=3 1143 B11R0.114 CCC(C)CSCCC(C)(C)O 62a_100000748023_100000702414 [0,0,0,0,0,1|0,0,2]=3 1144 B11R0.114 CCC(C)NCCCC(C)(C)O 2230a_100000209981_100009888830 [0,0,0,0,0,1|0,0,2]=3 1145 B11R0.114 CCC(C)OCCCC(C)(C)O 7a_100000210228_100009888830 [0,0,0,0,0,1|0,0,2]=3 1146 B11R0.114 CCC(C)SCCCC(C)(C)O 62a_100000758301_100009888830 [0,0,0,0,0,1|0,0,2]=3 1147 B11R0.114 CCC(C)SCCCC(C)(C)O 62a_100009888830_100000758301 [0,0,0,0,0,1|0,0,2]=3 1148 B11R0.114 CCC(O)CNCCC(C)(C)O 2230a_100011218483_100000702414 [0,0,0,0,0,1|1,0,2]=4 1149 B11R0.114 CCC(O)CSCCC(C)(C)O 62a_100000702414_100011218378 [0,0,0,0,0,1|1,0,2]=4 1150 B11R0.114 CCC(O)CSCCC(C)(C)O 62a_100011218378_100000702414 [0,0,0,0,0,1|1,0,2]=4 1151 B11R0.114 CC[C@H](C)CNCCC(C)(C)C 2230a_100000738805_100009816398 [0,0,0,0,0,1|1,0,2]=4 1152 B11R0.114 CC[C@H](C)CNCCC(C)(C)F 2230a_100016253952_100009816398 [0,0,0,0,0,1|1,0,2]=4 1153 B11R0.114 CC[C@H](C)COCCC(C)(C)C 7a_100000765024_100009816398 [0,0,0,0,0,1|1,0,2]=4 1154 B11R0.114 CC[C@H](C)COCCC(C)(C)C 7a_100009816381_100000755188 [0,0,0,0,0,1|1,0,2]=4 1155 B11R0.114 CC[C@H](C)COCCC(C)(C)O 7a_100009816381_100000702414 [0,0,0,0,0,1|0,0,2]=3 1156 B11R0.114 CC[C@H](C)CSCCC(C)(C)C 62a_100000755188_100009816398 [0,0,0,0,0,1|1,0,2]=4 1157 B11R0.114 CC[C@H](C)CSCCC(C)(C)C 62a_100009816398_100000755188 [0,0,0,0,0,1|1,0,2]=4 1158 B11R0.114 CC[C@H](C)CSCCC(C)(C)O 62a_100000702414_100009816398 [0,0,0,0,0,1|0,0,2]=3 1159 B11R0.114 CC[C@H](C)CSCCC(C)(C)O 62a_100009816398_100000702414 [0,0,0,0,0,1|0,0,2]=3 1160 B11R0.114 COC(C)CCOCC(C)(C)O 7a_100000764861_100000764493 [0,0,0,0,0,1|1,0,1]=3 1161 B11R0.114 COC(C)COCCC(C)(C)C 34a_100000690652_100000755188 [0,0,0,0,0,1|2,0,1]=4 1162 B11R0.114 COC(C)COCCC(C)(C)O 34a_100000690652_100000702414 [0,0,0,0,0,1|1,0,1]=3 1163 B11R0.114 COC(C)SCCCC(C)(C)O 62a_100009879195_100009888830 [0,0,0,0,0,1|1,0,1]=3 1164 B11R0.114 COC(C)SCCCC(C)(C)O 62a_100009888830_100009879195 [0,0,0,0,0,1|1,0,1]=3 1165 B11R0.114 CO[C@H](C)CNCCC(C)(C)C 2230a_100020591295_100000755188 [0,0,0,0,0,1|2,0,1]=4 1166 B11R0.114 CO[C@H](C)CNCCC(C)(C)O 2230a_100020591295_100000702414 [0,0,0,0,0,1|1,0,1]=3 1167 B11R0.114 C[C@@H](CN)CCCOC(C)(C)C 34a_100160569302_100000210625 [0,0,0,0,0,1|2,0,1]=4 1168 B11R0.114 C[C@@H](CO)CNCCC(C)(C)C 2230a_100000738805_100000059175 [0,0,0,0,0,1|2,0,1]=4 1169 B11R0.114 C[C@@H](CO)CNCCC(C)(C)F 2230a_100016253952_100000059175 [0,0,0,0,0,1|2,0,1]=4 1170 B11R0.114 C[C@@H](CO)COCCC(C)(C)C 7a_100000765024_100000059175 [0,0,0,0,0,1|2,0,1]=4 1171 B11R0.114 C[C@@H](CO)CSCCC(C)(C)C 62a_100000059175_100000755188 [0,0,0,0,0,1|2,0,1]=4 1172 B11R0.114 C[C@@H](CO)CSCCC(C)(C)C 62a_100000755188_100000059175 [0,0,0,0,0,1|2,0,1]=4 1173 B11R0.114 C[C@@H](CO)CSCCC(C)(C)O 62a_100000059175_100000702414 [0,0,0,0,0,1|1,0,1]=3 1174 B11R0.114 C[C@@H](CO)CSCCC(C)(C)O 62a_100000702414_100000059175 [0,0,0,0,0,1|1,0,1]=3 1175 B11R0.114 C[C@H](CO)NCCCC(C)(C)O 2230a_100000737577_100009888830 [0,0,0,0,0,1|1,0,1]=3 1176 B11R0.114 C[C@H](CO)SCCCC(C)(C)O 62a_100009888830_100016084084 [0,0,0,0,0,1|1,0,1]=3 1177 B11R0.114 C[C@H](CO)SCCCC(C)(C)O 62a_100016084084_100009888830 [0,0,0,0,0,1|1,0,1]=3 1178 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|1,0,1]=4 1179 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [2,0,0,0,0,0|1,0,1]=4 1180 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [2,0,0,0,0,0|1,0,0]=3 1181 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [2,0,0,0,0,0|1,0,0]=3 1182 B8R0.6 C=CC(C)COCCF 34a_100011215527_100011217306 [2,0,0,0,0,0|2,0,0]=4 1183 B8R0.6 C=CC(C)COCCF 7a_100011215527_100011217306 [2,0,0,0,0,0|2,0,0]=4 1184 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [2,0,0,0,0,0|1,0,0]=3 1185 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [2,0,0,0,0,0|1,0,0]=3 1186 B8R0.6 C=CC(C)COCSC 34a_100011215527_100011218213 [2,0,0,0,0,0|2,0,0]=4 1187 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [2,0,0,0,0,0|1,0,0]=3 1188 B8R0.6 C=CC(C)OCCCF 34a_100000695699_100011934791 [2,0,0,0,0,0|2,0,0]=4 1189 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [2,0,0,0,0,0|1,0,0]=3 1190 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [2,0,0,0,0,0|2,0,0]=4 1191 B8R0.6 C=CC(C)OCCSC 34a_100000695699_100000212216 [2,0,0,0,0,0|2,0,0]=4 1192 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [2,0,0,0,0,0|1,0,0]=3 1193 B8R0.6 C=CC(C)SCCCF 62a_100011215867_100011934791 [2,0,0,0,0,0|2,0,0]=4 1194 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [2,0,0,0,0,0|1,0,0]=3 1195 B8R0.6 C=CC(C)SCCOC 62a_100011215867_100000233755 [2,0,0,0,0,0|2,0,0]=4 1196 B8R0.6 C=CC(C)SCCSC 62a_100011215867_100000751147 [2,0,0,0,0,0|2,0,0]=4 1197 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [2,0,0,0,0,0|2,0,0]=4 1198 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [2,0,0,0,0,0|2,0,0]=4 1199 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [2,0,0,0,0,0|2,0,0]=4 1200 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [2,0,0,0,0,0|2,0,0]=4 1201 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [2,0,0,0,0,0|2,0,0]=4 1202 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [2,0,0,0,0,0|2,0,0]=4 1203 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [2,0,0,0,0,0|2,0,0]=4 1204 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [2,0,0,0,0,0|2,0,0]=4 1205 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [2,0,0,0,0,0|2,0,0]=4 1206 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [2,0,0,0,0,0|2,0,0]=4 1207 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [2,0,0,0,0,0|1,0,1]=4 1208 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [2,0,0,0,0,0|1,0,1]=4 1209 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [2,0,0,0,0,0|1,0,1]=4 1210 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [2,0,0,0,0,0|1,0,1]=4 1211 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [2,0,0,0,0,0|1,0,1]=4 1212 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [2,0,0,0,0,0|1,0,1]=4 1213 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 1214 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|1,0,1]=4 1215 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 1216 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 1217 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 1218 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [2,0,0,0,0,0|1,0,1]=4 1219 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [2,0,0,0,0,0|1,0,1]=4 1220 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [2,0,0,0,0,0|1,0,1]=4 1221 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [2,0,0,0,0,0|1,0,1]=4 1222 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|0,0,2]=4 1223 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|0,0,2]=4 1224 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|0,0,2]=4 1225 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [2,0,0,0,0,0|1,0,0]=3 1226 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [2,0,0,0,0,0|1,0,0]=3 1227 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [2,0,0,0,0,0|1,0,0]=3 1228 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [2,0,0,0,0,0|1,0,0]=3 1229 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [2,0,0,0,0,0|1,0,0]=3 1230 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [2,0,0,0,0,0|1,0,0]=3 1231 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [2,0,0,0,0,0|1,0,0]=3 1232 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [2,0,0,0,0,0|1,0,0]=3 1233 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [2,0,0,0,0,0|1,0,0]=3 1234 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [2,0,0,0,0,0|1,0,0]=3 1235 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [2,0,0,0,0,0|1,0,0]=3 1236 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [2,0,0,0,0,0|1,0,0]=3 1237 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [2,0,0,0,0,0|1,0,0]=3 1238 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [2,0,0,0,0,0|1,0,0]=3 1239 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [2,0,0,0,0,0|1,0,0]=3 1240 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [2,0,0,0,0,0|1,0,0]=3 1241 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [2,0,0,0,0,0|1,0,0]=3 1242 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [2,0,0,0,0,0|1,0,0]=3 1243 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [2,0,0,0,0,0|1,0,0]=3 1244 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [2,0,0,0,0,0|1,0,0]=3 1245 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [2,0,0,0,0,0|1,0,0]=3 1246 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [2,0,0,0,0,0|1,0,0]=3 1247 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [2,0,0,0,0,0|1,0,0]=3 1248 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [2,0,0,0,0,0|2,0,0]=4 1249 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [2,0,0,0,0,0|1,0,0]=3 1250 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [2,0,0,0,0,0|1,0,0]=3 1251 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [2,0,0,0,0,0|2,0,0]=4 1252 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [2,0,0,0,0,0|1,0,0]=3 1253 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [2,0,0,0,0,0|2,0,0]=4 1254 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [2,0,0,0,0,0|2,0,0]=4 1255 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [2,0,0,0,0,0|1,0,0]=3 1256 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [2,0,0,0,0,0|1,0,0]=3 1257 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [2,0,0,0,0,0|1,0,0]=3 1258 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [2,0,0,0,0,0|1,0,0]=3 1259 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [2,0,0,0,0,0|1,0,0]=3 1260 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [2,0,0,0,0,0|1,0,0]=3 1261 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [2,0,0,0,0,0|1,0,0]=3 1262 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [2,0,0,0,0,0|1,0,0]=3 1263 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [2,0,0,0,0,0|1,0,0]=3 1264 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [2,0,0,0,0,0|1,0,0]=3 1265 B8R0.7 C=CCNCOC(C)C 2230a_100020586998_100000709892 [2,0,0,0,0,0|2,0,0]=4 1266 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [2,0,0,0,0,0|2,0,0]=4 1267 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [2,0,0,0,0,0|1,0,0]=3 1268 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [2,0,0,0,0,0|1,0,0]=3 1269 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [2,0,0,0,0,0|1,0,0]=3 1270 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [2,0,0,0,0,0|1,0,0]=3 1271 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [2,0,0,0,0,0|2,0,0]=4 1272 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [2,0,0,0,0,0|2,0,0]=4 1273 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [2,0,0,0,0,0|1,0,0]=3 1274 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [2,0,0,0,0,0|1,0,0]=3 1275 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [2,0,0,0,0,0|1,0,0]=3 1276 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [2,0,0,0,0,0|1,0,0]=3 1277 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [2,0,0,0,0,0|2,0,0]=4 1278 B8R0.7 C=CCSCOC(C)C 62a_100000210623_100000709892 [2,0,0,0,0,0|2,0,0]=4 1279 B8R0.7 C=CCSCOC(C)C 62a_100000709892_100000210623 [2,0,0,0,0,0|2,0,0]=4 1280 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [2,0,0,0,0,0|2,0,0]=4 1281 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [2,0,0,0,0,0|2,0,0]=4 1282 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [2,0,0,0,0,0|2,0,0]=4 1283 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [2,0,0,0,0,0|2,0,0]=4 1284 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [2,0,0,0,0,0|2,0,0]=4 1285 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [2,0,0,0,0,0|2,0,0]=4 1286 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [2,0,0,0,0,0|1,0,1]=4 1287 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [2,0,0,0,0,0|1,0,1]=4 1288 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [2,0,0,0,0,0|1,0,1]=4 1289 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [2,0,0,0,0,0|1,0,1]=4 1290 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [2,0,0,0,0,0|2,0,0]=4 1291 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [2,0,0,0,0,0|2,0,0]=4 1292 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [2,0,0,0,0,0|2,0,0]=4 1293 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [2,0,0,0,0,0|2,0,0]=4 1294 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [2,0,0,0,0,0|2,0,0]=4 1295 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [2,0,0,0,0,0|2,0,0]=4 1296 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [2,0,0,0,0,0|2,0,0]=4 1297 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [2,0,0,0,0,0|2,0,0]=4 1298 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [2,0,0,0,0,0|2,0,0]=4 1299 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [2,0,0,0,0,0|2,0,0]=4 1300 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [2,0,0,0,0,0|2,0,0]=4 1301 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [2,0,0,0,0,0|2,0,0]=4 1302 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [2,0,0,0,0,0|1,0,1]=4 1303 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [2,0,0,0,0,0|1,0,1]=4 1304 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [2,0,0,0,0,0|1,0,1]=4 1305 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [2,0,0,0,0,0|1,0,1]=4 1306 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [2,0,0,0,0,0|1,0,1]=4 1307 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [2,0,0,0,0,0|1,0,1]=4 1308 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [2,0,0,0,0,0|1,0,1]=4 1309 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [2,0,0,0,0,0|1,0,1]=4 1310 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [2,0,0,0,0,0|1,0,1]=4 1311 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [2,0,0,0,0,0|1,0,1]=4 1312 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [2,0,0,0,0,0|1,0,1]=4 1313 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [2,0,0,0,0,0|1,0,1]=4 1314 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [2,0,0,0,0,0|1,0,1]=4 1315 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [2,0,0,0,0,0|1,0,1]=4 1316 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [2,0,0,0,0,0|1,0,1]=4 1317 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [2,0,0,0,0,0|1,0,1]=4 1318 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [2,0,0,0,0,0|1,0,1]=4 1319 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [2,0,0,0,0,0|1,0,1]=4 1320 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [2,0,0,0,0,0|1,0,1]=4 1321 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [2,0,0,0,0,0|1,0,1]=4 1322 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [2,0,0,0,0,0|1,0,1]=4 1323 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [2,0,0,0,0,0|1,0,1]=4 1324 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [2,0,0,0,0,0|1,0,1]=4 1325 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [2,0,0,0,0,0|1,0,1]=4 1326 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [2,0,0,0,0,0|1,0,1]=4 1327 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [2,0,0,0,0,0|1,0,1]=4 1328 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [2,0,0,0,0,0|1,0,1]=4 1329 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [2,0,0,0,0,0|1,0,1]=4 1330 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [2,0,0,0,0,0|1,0,1]=4 1331 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [2,0,0,0,0,0|1,0,1]=4 1332 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [2,0,0,0,0,0|1,0,1]=4 1333 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [2,0,0,0,0,0|2,0,0]=4 1334 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [2,0,0,0,0,0|2,0,0]=4 1335 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [2,0,0,0,0,0|1,0,1]=4 1336 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [2,0,0,0,0,0|1,0,1]=4 1337 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [2,0,0,0,0,0|1,0,1]=4 1338 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [2,0,0,0,0,0|1,0,1]=4 1339 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [2,0,0,0,0,0|1,0,1]=4 1340 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [2,0,0,0,0,0|1,0,1]=4 1341 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [2,0,0,0,0,0|1,0,1]=4 1342 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [2,0,0,0,0,0|1,0,1]=4 1343 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [2,0,0,0,0,0|1,0,1]=4 1344 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [2,0,0,0,0,0|1,0,1]=4 1345 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [2,0,0,0,0,0|1,0,1]=4 1346 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [2,0,0,0,0,0|1,0,1]=4 1347 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [2,0,0,0,0,0|1,0,1]=4 1348 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [2,0,0,0,0,0|1,0,1]=4 1349 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [2,0,0,0,0,0|1,0,1]=4 1350 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [2,0,0,0,0,0|1,0,1]=4 1351 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [2,0,0,0,0,0|1,0,1]=4 1352 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [2,0,0,0,0,0|1,0,1]=4 1353 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [2,0,0,0,0,0|1,0,1]=4 1354 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [2,0,0,0,0,0|1,0,1]=4 1355 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [2,0,0,0,0,0|2,0,0]=4 1356 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [2,0,0,0,0,0|1,0,1]=4 1357 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [2,0,0,0,0,0|2,0,0]=4 1358 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [2,0,0,0,0,0|1,0,1]=4 1359 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [2,0,0,0,0,0|2,0,0]=4 1360 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [2,0,0,0,0,0|2,0,0]=4 1361 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [2,0,0,0,0,0|1,0,1]=4 1362 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [2,0,0,0,0,0|1,0,1]=4 1363 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [2,0,0,0,0,0|1,0,1]=4 1364 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [2,0,0,0,0,0|1,0,1]=4 1365 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [2,0,0,0,0,0|1,0,1]=4 1366 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [2,0,0,0,0,0|1,0,1]=4 1367 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [2,0,0,0,0,0|2,0,0]=4 1368 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [2,0,0,0,0,0|2,0,0]=4 1369 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [2,0,0,0,0,0|1,0,1]=4 1370 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [2,0,0,0,0,0|1,0,1]=4 1371 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [2,0,0,0,0,0|1,0,1]=4 1372 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [2,0,0,0,0,0|1,0,1]=4 1373 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [2,0,0,0,0,0|1,0,1]=4 1374 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [2,0,0,0,0,0|1,0,1]=4 1375 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [2,0,0,0,0,0|1,0,1]=4 1376 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [2,0,0,0,0,0|1,0,1]=4 1377 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [2,0,0,0,0,0|2,0,0]=4 1378 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [2,0,0,0,0,0|2,0,0]=4 1379 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [2,0,0,0,0,0|2,0,0]=4 1380 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [2,0,0,0,0,0|2,0,0]=4 1381 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [2,0,0,0,0,0|2,0,0]=4 1382 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [2,0,0,0,0,0|2,0,0]=4 1383 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [2,0,0,0,0,0|2,0,0]=4 1384 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [2,0,0,0,0,0|2,0,0]=4 1385 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [2,0,0,0,0,0|2,0,0]=4 1386 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [2,0,0,0,0,0|2,0,0]=4 1387 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [2,0,0,0,0,0|2,0,0]=4 1388 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [2,0,0,0,0,0|2,0,0]=4 1389 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [2,0,0,0,0,0|2,0,0]=4 1390 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [2,0,0,0,0,0|2,0,0]=4 1391 B8R0.21 C=CCCNC(C)(C)C 2230a_100000715429_100000754431 [2,0,0,0,0,0|2,0,0]=4 1392 B8R0.21 C=CCCOC(C)(C)C 34a_100011205117_100000210625 [2,0,0,0,0,0|2,0,0]=4 1393 B8R0.21 C=CCCOC(C)(C)C 34a_100015890283_100000754431 [2,0,0,0,0,0|2,0,0]=4 1394 B8R0.21 C=CCCOC(C)(C)C 7a_100015890283_100000754431 [2,0,0,0,0,0|2,0,0]=4 1395 B8R0.21 C=CCCSC(C)(C)C 62a_100000211941_100000754431 [2,0,0,0,0,0|2,0,0]=4 1396 B8R0.21 C=CCCSC(C)(C)C 62a_100000754431_100000211941 [2,0,0,0,0,0|2,0,0]=4 1397 B8R0.21 C=CCNCC(C)(C)C 2230a_100000743828_100000210623 [2,0,0,0,0,0|2,0,0]=4 1398 B8R0.21 C=CCNCC(C)(C)C 270004a_100020586998_100011204126 [2,0,0,0,0,0|2,0,0]=4 1399 B8R0.21 C=CCNCC(C)(C)F 2230a_100020643315_100000210623 [2,0,0,0,0,0|2,0,0]=4 1400 B8R0.21 C=CCNCC(C)(C)O 2230a_100000751335_100000210623 [2,0,0,0,0,0|1,0,0]=3 1401 B8R0.21 C=CCOCC(C)(C)C 34a_200000210373_100011219605 [2,0,0,0,0,0|2,0,0]=4 1402 B8R0.21 C=CCOCC(C)(C)F 34a_100000716592_100015514636 [2,0,0,0,0,0|2,0,0]=4 1403 B8R0.21 C=CCOCC(C)(C)F 34a_200000210373_100011997219 [2,0,0,0,0,0|2,0,0]=4 1404 B8R0.21 C=CCOCC(C)(C)O 34a_200000210373_100000764493 [2,0,0,0,0,0|1,0,0]=3 1405 B8R0.21 C=CCSCC(C)(C)C 62a_100000210623_100011219605 [2,0,0,0,0,0|2,0,0]=4 1406 B8R0.21 C=CCSCC(C)(C)C 62a_100011219605_100000210623 [2,0,0,0,0,0|2,0,0]=4 1407 B8R0.21 C=CCSCC(C)(C)F 62a_100000210623_100011997219 [2,0,0,0,0,0|2,0,0]=4 1408 B8R0.21 C=CCSCC(C)(C)F 62a_100011997219_100000210623 [2,0,0,0,0,0|2,0,0]=4 1409 B8R0.21 C=CCSCC(C)(C)O 62a_100000210623_100000764493 [2,0,0,0,0,0|1,0,0]=3 1410 B8R0.21 C=CCSCC(C)(C)O 62a_100000764493_100000210623 [2,0,0,0,0,0|1,0,0]=3 1411 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [2,0,0,0,0,0|1,0,0]=3 1412 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [2,0,0,0,0,0|1,0,0]=3 1413 B8R0.21 CC(C)(O)CCSCF 62a_100000702414_100015361967 [2,0,0,0,0,0|2,0,0]=4 1414 B8R0.21 CC(C)(O)CCSCF 62a_100015361967_100000702414 [2,0,0,0,0,0|2,0,0]=4 1415 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [2,0,0,0,0,0|2,0,0]=4 1416 B8R0.21 CC(C)(O)CNCCF 2230a_100000751335_100011217306 [2,0,0,0,0,0|2,0,0]=4 1417 B8R0.21 CC(C)(O)CNCCF 34a_100000724931_100000764493 [2,0,0,0,0,0|2,0,0]=4 1418 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [2,0,0,0,0,0|2,0,0]=4 1419 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [2,0,0,0,0,0|2,0,0]=4 1420 B8R0.21 CC(C)(O)COCCBr 34a_100000211926_100000764493 [2,0,0,0,0,0|2,0,0]=4 1421 B8R0.21 CC(C)(O)COCCN 34a_100000210304_100000764493 [2,0,0,0,0,0|2,0,0]=4 1422 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [2,0,0,0,0,0|2,0,0]=4 1423 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [2,0,0,0,0,0|2,0,0]=4 1424 B8R0.21 CC(C)(O)CSCCF 62a_100000764493_100011217306 [2,0,0,0,0,0|2,0,0]=4 1425 B8R0.21 CC(C)(O)CSCCF 62a_100011217306_100000764493 [2,0,0,0,0,0|2,0,0]=4 1426 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [2,0,0,0,0,0|2,0,0]=4 1427 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [2,0,0,0,0,0|2,0,0]=4 1428 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [2,0,0,0,0,0|2,0,0]=4 1429 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [2,0,0,0,0,0|2,0,0]=4 1430 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [2,0,0,0,0,0|2,0,0]=4 1431 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [2,0,0,0,0,0|2,0,0]=4 1432 B8R0.21 CCCCSC(C)(C)C 62a_100000210211_100000211941 [2,0,0,0,0,0|2,0,0]=4 1433 B8R0.21 CCCCSC(C)(C)C 62a_100000211941_100000210210 [2,0,0,0,0,0|2,0,0]=4 1434 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [2,0,0,0,0,0|2,0,0]=4 1435 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [2,0,0,0,0,0|2,0,0]=4 1436 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [2,0,0,0,0,0|2,0,0]=4 1437 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [2,0,0,0,0,0|1,0,0]=3 1438 B8R0.21 CCCOCC(C)(C)C 34a_100000210258_100011219605 [2,0,0,0,0,0|2,0,0]=4 1439 B8R0.21 CCCOCC(C)(C)F 34a_100000210258_100011997219 [2,0,0,0,0,0|2,0,0]=4 1440 B8R0.21 CCCOCC(C)(C)F 34a_100000716592_100000210303 [2,0,0,0,0,0|2,0,0]=4 1441 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [2,0,0,0,0,0|1,0,0]=3 1442 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [2,0,0,0,0,0|2,0,0]=4 1443 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [2,0,0,0,0,0|2,0,0]=4 1444 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [2,0,0,0,0,0|2,0,0]=4 1445 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [2,0,0,0,0,0|2,0,0]=4 1446 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [2,0,0,0,0,0|1,0,0]=3 1447 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [2,0,0,0,0,0|1,0,0]=3 1448 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [2,0,0,0,0,0|2,0,0]=4 1449 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [2,0,0,0,0,0|2,0,0]=4 1450 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [2,0,0,0,0,0|2,0,0]=4 1451 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [2,0,0,0,0,0|1,0,0]=3 1452 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [2,0,0,0,0,0|2,0,0]=4 1453 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [2,0,0,0,0,0|2,0,0]=4 1454 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [2,0,0,0,0,0|1,0,0]=3 1455 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [2,0,0,0,0,0|2,0,0]=4 1456 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [2,0,0,0,0,0|2,0,0]=4 1457 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [2,0,0,0,0,0|1,0,0]=3 1458 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [2,0,0,0,0,0|1,0,0]=3 1459 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [2,0,0,0,0,0|1,0,0]=3 1460 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [2,0,0,0,0,0|1,0,0]=3 1461 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [2,0,0,0,0,0|1,0,0]=3 1462 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [2,0,0,0,0,0|1,0,0]=3 1463 B8R0.21 COCNCC(C)(C)O 2230a_100000751335_100000766300 [2,0,0,0,0,0|2,0,0]=4 1464 B8R0.21 COCSCC(C)(C)O 62a_100000764493_100000766300 [2,0,0,0,0,0|2,0,0]=4 1465 B8R0.21 COCSCC(C)(C)O 62a_100000766300_100000764493 [2,0,0,0,0,0|2,0,0]=4 1466 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [2,0,0,0,0,0|1,0,0]=3 1467 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [2,0,0,0,0,0|1,0,0]=3 1468 B8R0.21 CSCNCC(C)(C)O 2230a_100000751335_100011218213 [2,0,0,0,0,0|2,0,0]=4 1469 B8R0.21 CSCSCC(C)(C)O 62a_100000764493_100011218213 [2,0,0,0,0,0|2,0,0]=4 1470 B8R0.21 CSCSCC(C)(C)O 62a_100011218213_100000764493 [2,0,0,0,0,0|2,0,0]=4 1471 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [1,1,0,0,0,0|1,0,0]=3 1472 B10R0.3 C/C=C/C(C)OCCC(C)O 34a_200102604097_100012276601 [1,1,0,0,0,0|1,0,0]=3 1473 B10R0.3 C/C=C/C(C)OCOC(C)C 34a_200102604097_100000709892 [1,1,0,0,0,0|2,0,0]=4 1474 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [1,1,0,0,0,0|1,0,1]=4 1475 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [1,1,0,0,0,0|1,0,1]=4 1476 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [1,1,0,0,0,0|1,0,1]=4 1477 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [1,1,0,0,0,0|1,0,0]=3 1478 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [1,1,0,0,0,0|1,0,0]=3 1479 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [1,1,0,0,0,0|1,0,0]=3 1480 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [1,1,0,0,0,0|1,0,0]=3 1481 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [1,1,0,0,0,0|1,0,0]=3 1482 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [1,1,0,0,0,0|1,0,0]=3 1483 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [1,1,0,0,0,0|1,0,0]=3 1484 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [1,1,0,0,0,0|1,0,0]=3 1485 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [1,1,0,0,0,0|1,0,0]=3 1486 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [1,1,0,0,0,0|1,0,0]=3 1487 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225617_100000757444 [1,1,0,0,0,0|2,0,0]=4 1488 B10R0.3 C=CCN(C)CCCN(C)C 269982a_100000225831_100000210623 [1,1,0,0,0,0|2,0,0]=4 1489 B10R0.3 C=CCN(C)CCOC(C)C 2230a_100000225617_100000211751 [1,1,0,0,0,0|2,0,0]=4 1490 B10R0.3 C=CCN(C)CCOC(C)C 269982a_100000225617_100000211751 [1,1,0,0,0,0|2,0,0]=4 1491 B10R0.3 C=CCN(C)CCSC(C)C 2230a_100000225617_100000730970 [1,1,0,0,0,0|2,0,0]=4 1492 B10R0.3 C=CCN(C)CCSC(C)C 269982a_100000225617_100000730970 [1,1,0,0,0,0|2,0,0]=4 1493 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [1,1,0,0,0,0|1,0,0]=3 1494 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [1,1,0,0,0,0|1,0,0]=3 1495 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [1,1,0,0,0,0|1,0,0]=3 1496 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [1,1,0,0,0,0|1,0,0]=3 1497 B10R0.3 C=CC[C@@H](C)OCCN(C)C 7a_100000731007_100000755713 [1,1,0,0,0,0|2,0,0]=4 1498 B10R0.3 C=CC[C@@H](C)OCOC(C)C 34a_100000731007_100000709892 [1,1,0,0,0,0|2,0,0]=4 1499 B10R0.3 C=CC[C@@H](N)COCC(C)C 34a_100020615467_100000210624 [1,1,0,0,0,0|2,0,0]=4 1500 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [1,1,0,0,0,0|2,0,0]=4 1501 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [1,1,0,0,0,0|2,0,0]=4 1502 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [1,1,0,0,0,0|1,0,1]=4 1503 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [1,1,0,0,0,0|1,0,1]=4 1504 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [1,1,0,0,0,0|1,0,1]=4 1505 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [1,1,0,0,0,0|1,0,1]=4 1506 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [1,1,0,0,0,0|1,0,1]=4 1507 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [1,1,0,0,0,0|1,0,1]=4 1508 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [1,1,0,0,0,0|1,0,1]=4 1509 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [1,1,0,0,0,0|1,0,1]=4 1510 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [1,1,0,0,0,0|1,0,1]=4 1511 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [1,1,0,0,0,0|1,0,1]=4 1512 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [1,1,0,0,0,0|0,0,2]=4 1513 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [1,1,0,0,0,0|0,0,2]=4 1514 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [1,1,0,0,0,0|0,0,2]=4 1515 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [1,1,0,0,0,0|0,0,2]=4 1516 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [1,1,0,0,0,0|0,0,1]=3 1517 B10R0.44 C=CC(C)CC(=O)CC(C)O 1458a_100011934298_100011218427 [1,1,0,0,0,0|0,0,1]=3 1518 B10R0.44 C=CC(C)CC(=O)NC(C)C 11a_100138425928_100011934298 [1,1,0,0,0,0|1,0,1]=4 1519 B10R0.44 C=CC(C)CC(=O)NC(C)C 1626a_100138425928_100011934298 [1,1,0,0,0,0|1,0,1]=4 1520 B10R0.44 C=CC(C)CC(=O)NC(C)C 240690a_100138425928_100011934298 [1,1,0,0,0,0|1,0,1]=4 1521 B10R0.44 C=CC(C)CC(=O)NC(C)C 527a_100138425928_100011934298 [1,1,0,0,0,0|1,0,1]=4 1522 B10R0.44 C=CC(C)OC(C)CC(C)C 34a_100000695699_100000731052 [1,1,0,0,0,0|1,0,0]=3 1523 B10R0.44 C=CC(C)SC(C)CC(C)C 62a_100011215867_100000731052 [1,1,0,0,0,0|1,0,0]=3 1524 B10R0.44 C=CC(C)SC(C)CN(C)C 62a_100011215867_100020606517 [1,1,0,0,0,0|2,0,0]=4 1525 B10R0.44 C=CC(O)CN(C)CC(C)C 2230a_100000747067_100000730141 [1,1,0,0,0,0|2,0,0]=4 1526 B10R0.44 C=CC(O)CN(C)CC(C)O 2230a_100000227577_100000730141 [1,1,0,0,0,0|2,0,0]=4 1527 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [1,1,0,0,0,0|1,0,1]=4 1528 B10R0.57 C=CC(C)C(=O)CCC(C)C 1458a_100011216780_100000210312 [1,1,0,0,0,0|0,0,1]=3 1529 B10R0.57 C=CC(C)C(=O)CCC(C)O 1458a_100011216780_100012276601 [1,1,0,0,0,0|0,0,1]=3 1530 B10R0.57 C=CC(C)C(=O)NCC(C)C 11a_100000210953_100011216780 [1,1,0,0,0,0|1,0,1]=4 1531 B10R0.57 C=CC(C)C(=O)NCC(C)C 1626a_100000210953_100011216780 [1,1,0,0,0,0|1,0,1]=4 1532 B10R0.57 C=CC(C)C(=O)NCC(C)C 240690a_100000210953_100011216780 [1,1,0,0,0,0|1,0,1]=4 1533 B10R0.57 C=CC(C)C(=O)NCC(C)C 527a_100000210953_100011216780 [1,1,0,0,0,0|1,0,1]=4 1534 B10R0.57 C=CC(C)C(=O)NCC(C)O 11a_100000210904_100011216780 [1,1,0,0,0,0|1,0,1]=4 1535 B10R0.57 C=CC(C)C(=O)NCC(C)O 240690a_100000210904_100011216780 [1,1,0,0,0,0|1,0,1]=4 1536 B10R0.57 C=CC(C)C(=O)NCC(C)O 527a_100000210904_100011216780 [1,1,0,0,0,0|1,0,1]=4 1537 B10R0.57 C=CC(C)N(C)CCC(C)C 269982a_100000742789_100011215867 [1,1,0,0,0,0|1,0,0]=3 1538 B10R0.57 C=CC(C)N(C)CCN(C)C 269982a_100000225618_100011215867 [1,1,0,0,0,0|2,0,0]=4 1539 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)C 34a_100015455354_100000210624 [1,1,0,0,0,0|1,0,0]=3 1540 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)C 7a_100015455354_100000210760 [1,1,0,0,0,0|1,0,0]=3 1541 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)O 34a_100015455354_100011218427 [1,1,0,0,0,0|1,0,0]=3 1542 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(C)O 7a_100015455354_100011218427 [1,1,0,0,0,0|1,0,0]=3 1543 B10R0.57 C=C[C@@H](C)[C@@H](C)OC[C@@H](C)O 34a_100015455354_100009817552 [1,1,0,0,0,0|1,0,0]=3 1544 B10R0.57 C=C[C@@H](C)[C@@H](C)OC[C@@H](C)O 7a_100015455354_100009817552 [1,1,0,0,0,0|1,0,0]=3 1545 B10R0.59 C=CC(C)COCC(C)CC 34a_100011215527_100000748023 [1,1,0,0,0,0|1,0,0]=3 1546 B10R0.59 C=CC(C)COCC(C)CC 7a_100011215527_100000748023 [1,1,0,0,0,0|1,0,0]=3 1547 B10R0.59 C=CC(C)COCC(O)C=C 34a_100011215527_100000730141 [1,1,0,0,0,0|1,0,1]=4 1548 B10R0.59 C=CC(C)COCC(O)C=C 7a_100011215527_100000730141 [1,1,0,0,0,0|1,0,1]=4 1549 B10R0.59 C=CC(C)COCC(O)CC 34a_100011215527_100011218378 [1,1,0,0,0,0|1,0,0]=3 1550 B10R0.59 C=CC(C)COCC(O)CC 7a_100011215527_100011218378 [1,1,0,0,0,0|1,0,0]=3 1551 B10R0.59 C=CC(C)COCC(O)CO 34a_100011215527_100011219619 [1,1,0,0,0,0|1,0,0]=3 1552 B10R0.59 C=CC(C)COCC(O)CO 7a_100011215527_100011219619 [1,1,0,0,0,0|1,0,0]=3 1553 B10R0.59 C=CC(C)COC[C@@H](C)CC 34a_100011215527_100009816398 [1,1,0,0,0,0|1,0,0]=3 1554 B10R0.59 C=CC(C)COC[C@@H](C)CC 7a_100011215527_100009816398 [1,1,0,0,0,0|1,0,0]=3 1555 B10R0.59 C=CC(C)COC[C@@H](C)CO 34a_100011215527_100000059175 [1,1,0,0,0,0|1,0,0]=3 1556 B10R0.59 C=CC(C)COC[C@@H](C)CO 7a_100011215527_100000059175 [1,1,0,0,0,0|1,0,0]=3 1557 B10R0.59 C=CC(C)COC[C@@H](O)CF 34a_100011215527_100015614560 [1,1,0,0,0,0|1,0,0]=3 1558 B10R0.59 C=CC(C)COC[C@@H](O)CF 7a_100011215527_100015614560 [1,1,0,0,0,0|1,0,0]=3 1559 B10R0.59 C=CC(C)COC[C@@H](O)CO 34a_100011215527_100009815848 [1,1,0,0,0,0|1,0,0]=3 1560 B10R0.59 C=CC(C)COC[C@@H](O)CO 7a_100011215527_100009815848 [1,1,0,0,0,0|1,0,0]=3 1561 B10R0.59 C=CC(O)CNCC(C)CC 2230a_100020588543_100000730141 [1,1,0,0,0,0|2,0,0]=4 1562 B10R0.59 C=CC(O)CNCC(C)CO 34a_100000744482_100000730141 [1,1,0,0,0,0|2,0,0]=4 1563 B10R0.59 C=CC(O)CNCC(O)CC 2230a_100011218483_100000730141 [1,1,0,0,0,0|2,0,0]=4 1564 B10R0.59 C=CC(O)CNC[C@@H](C)OC 2230a_100020591295_100000730141 [1,1,0,0,0,0|2,0,0]=4 1565 B10R0.59 C=CC(O)CNC[C@H](O)CO 2230a_100020644852_100000730141 [1,1,0,0,0,0|2,0,0]=4 1566 B10R0.59 C=CC(O)COCC(C)CN 34a_100000744482_100000730141 [1,1,0,0,0,0|2,0,0]=4 1567 B10R0.59 C=CC(O)COCC(C)OC 34a_100000690652_100000730141 [1,1,0,0,0,0|2,0,0]=4 1568 B10R0.59 C=CC(O)COC[C@@H](C)CC 7a_100009816381_100000730141 [1,1,0,0,0,0|2,0,0]=4 1569 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000730141_100000748023 [1,1,0,0,0,0|2,0,0]=4 1570 B10R0.59 C=CC(O)CSCC(C)CC 62a_100000748023_100000730141 [1,1,0,0,0,0|2,0,0]=4 1571 B10R0.59 C=CC(O)CSCC(O)CC 62a_100000730141_100011218378 [1,1,0,0,0,0|2,0,0]=4 1572 B10R0.59 C=CC(O)CSCC(O)CC 62a_100011218378_100000730141 [1,1,0,0,0,0|2,0,0]=4 1573 B10R0.59 C=CC(O)CSCC(O)CO 62a_100000730141_100011219619 [1,1,0,0,0,0|2,0,0]=4 1574 B10R0.59 C=CC(O)CSCC(O)CO 62a_100011219619_100000730141 [1,1,0,0,0,0|2,0,0]=4 1575 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100000730141_100009816398 [1,1,0,0,0,0|2,0,0]=4 1576 B10R0.59 C=CC(O)CSC[C@@H](C)CC 62a_100009816398_100000730141 [1,1,0,0,0,0|2,0,0]=4 1577 B10R0.59 C=CC(O)CSC[C@@H](C)CO 62a_100000059175_100000730141 [1,1,0,0,0,0|2,0,0]=4 1578 B10R0.59 C=CC(O)CSC[C@@H](C)CO 62a_100000730141_100000059175 [1,1,0,0,0,0|2,0,0]=4 1579 B10R0.59 C=CC(O)CSC[C@@H](O)CF 62a_100000730141_100015614560 [1,1,0,0,0,0|2,0,0]=4 1580 B10R0.59 C=CC(O)CSC[C@@H](O)CF 62a_100015614560_100000730141 [1,1,0,0,0,0|2,0,0]=4 1581 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100000730141_100009815848 [1,1,0,0,0,0|2,0,0]=4 1582 B10R0.59 C=CC(O)CSC[C@@H](O)CO 62a_100009815848_100000730141 [1,1,0,0,0,0|2,0,0]=4 1583 B10R0.59 C=C[C@H](N)COCC(C)CC 34a_100016989147_100000748023 [1,1,0,0,0,0|2,0,0]=4 1584 B10R0.59 C=C[C@H](N)COCC(O)CC 34a_100016989147_100011218378 [1,1,0,0,0,0|2,0,0]=4 1585 B10R0.59 C=C[C@H](N)COCC(O)CO 34a_100016989147_100011219619 [1,1,0,0,0,0|2,0,0]=4 1586 B10R0.59 C=C[C@H](N)COC[C@@H](C)CC 34a_100016989147_100009816398 [1,1,0,0,0,0|2,0,0]=4 1587 B10R0.59 C=C[C@H](N)COC[C@@H](C)CO 34a_100016989147_100000059175 [1,1,0,0,0,0|2,0,0]=4 1588 B10R0.59 C=C[C@H](N)COC[C@@H](O)CF 34a_100016989147_100015614560 [1,1,0,0,0,0|2,0,0]=4 1589 B10R0.59 C=C[C@H](N)COC[C@@H](O)CO 34a_100016989147_100009815848 [1,1,0,0,0,0|2,0,0]=4 1590 B10R0.65 C=CC(C)(C)OCCC(C)C 34a_100011215311_100000210312 [1,1,0,0,0,0|1,0,0]=3 1591 B10R0.65 C=CC(C)(C)OCCC(C)C 7a_100011215311_100000210626 [1,1,0,0,0,0|1,0,0]=3 1592 B10R0.65 C=CC(C)(C)OCCC(C)O 34a_100011215311_100012276601 [1,1,0,0,0,0|1,0,0]=3 1593 B10R0.65 C=CC(C)(C)OCCC(C)O 7a_100011215311_100012276601 [1,1,0,0,0,0|1,0,0]=3 1594 B10R0.65 C=CC(C)(C)OCCN(C)C 7a_100011215311_100000755713 [1,1,0,0,0,0|2,0,0]=4 1595 B10R0.65 C=CC(C)(C)OCOC(C)C 34a_100011215311_100000709892 [1,1,0,0,0,0|2,0,0]=4 1596 B10R0.65 C=CC(F)(F)SCCC(C)C 62a_100000210312_100009814244 [1,1,0,0,0,0|2,0,0]=4 1597 B10R0.65 C=CC(F)(F)SCCC(C)C 62a_100009814244_100000210312 [1,1,0,0,0,0|2,0,0]=4 1598 B10R0.65 C=CC(F)(F)SCCC(C)O 62a_100009814244_100012276601 [1,1,0,0,0,0|2,0,0]=4 1599 B10R0.65 C=CC(F)(F)SCCC(C)O 62a_100012276601_100009814244 [1,1,0,0,0,0|2,0,0]=4 1600 B10R0.65 C=C[Si](C)(C)CNCC(C)C 2230a_100000210953_100000038793 [1,1,0,0,0,0|1,1,0]=4 1601 B10R0.65 C=C[Si](C)(C)CNCC(C)O 2230a_100000210904_100000038793 [1,1,0,0,0,0|1,1,0]=4 1602 B10R0.65 C=C[Si](C)(C)CSCC(C)C 62a_100000038793_100000210760 [1,1,0,0,0,0|1,1,0]=4 1603 B10R0.65 C=C[Si](C)(C)CSCC(C)C 62a_100000210624_100000038793 [1,1,0,0,0,0|1,1,0]=4 1604 B10R0.65 C=C[Si](C)(C)CSCC(C)O 62a_100000038793_100011218427 [1,1,0,0,0,0|1,1,0]=4 1605 B10R0.65 C=C[Si](C)(C)CSCC(C)O 62a_100011218427_100000038793 [1,1,0,0,0,0|1,1,0]=4 1606 B10R0.65 C=C[Si](C)(C)CSC[C@@H](C)O 62a_100000038793_100009817552 [1,1,0,0,0,0|1,1,0]=4 1607 B10R0.65 C=C[Si](C)(C)CSC[C@@H](C)O 62a_100009817552_100000038793 [1,1,0,0,0,0|1,1,0]=4 1608 B10R0.65 CC(C)CCCC(C)(C)O[13CH3] 7a_100011215742_200025704644 [1,1,0,0,0,0|1,0,1]=4 1609 B10R0.65 COC(C)(C)CCCC(C)C 7a_100011215742_200000210301 [1,1,0,0,0,0|1,0,1]=4 1610 B10R0.77 C=CC(C=C)OCCC(C)C 34a_100000033096_100000210312 [1,1,0,0,0,0|1,0,1]=4 1611 B10R0.77 C=CC(C=C)OCCC(C)O 34a_100000033096_100012276601 [1,1,0,0,0,0|1,0,1]=4 1612 B10R0.77 C=CC(CC)OCCC(C)C 34a_100000766422_100000210312 [1,1,0,0,0,0|1,0,0]=3 1613 B10R0.77 C=CC(CC)OCCC(C)C 7a_100000766422_100000210626 [1,1,0,0,0,0|1,0,0]=3 1614 B10R0.77 C=CC(CC)OCCC(C)O 34a_100000766422_100012276601 [1,1,0,0,0,0|1,0,0]=3 1615 B10R0.77 C=CC(CC)OCCC(C)O 7a_100000766422_100012276601 [1,1,0,0,0,0|1,0,0]=3 1616 B10R0.77 C=CC(CC)OCCN(C)C 7a_100000766422_100000755713 [1,1,0,0,0,0|2,0,0]=4 1617 B10R0.77 C=CC(CC)OCOC(C)C 34a_100000766422_100000709892 [1,1,0,0,0,0|2,0,0]=4 1618 B10R0.77 C=C[C@@H](CO)NCCC(C)C 2230a_100016989147_100000210312 [1,1,0,0,0,0|1,0,0]=3 1619 B10R0.77 C=C[C@@H](CO)NCCC(C)C 269862a_100016989147_100000185833 [1,1,0,0,0,0|1,0,0]=3 1620 B10R0.77 C=C[C@@H](CO)NCCC(C)C 34a_100016989147_100000210312 [1,1,0,0,0,0|1,0,0]=3 1621 B10R0.77 C=C[C@@H](CO)NCCC(C)O 2230a_100016989147_100012276601 [1,1,0,0,0,0|1,0,0]=3 1622 B10R0.77 C=C[C@@H](CO)NCCC(C)O 34a_100016989147_100012276601 [1,1,0,0,0,0|1,0,0]=3 1623 B10R0.77 C=C[C@@H](CO)NCOC(C)C 2230a_100016989147_100000709892 [1,1,0,0,0,0|2,0,0]=4 1624 B10R0.77 C=C[C@@H](CO)NCOC(C)C 34a_100016989147_100000709892 [1,1,0,0,0,0|2,0,0]=4 1625 B10R0.82 C=CC(C)OCC(=O)C(C)C 34a_100000695699_100000753385 [1,1,0,0,0,0|1,0,1]=4 1626 B10R0.82 C=CC(C)SCC(=O)C(C)C 62a_100011215867_100000753385 [1,1,0,0,0,0|1,0,1]=4 1627 B10R0.82 C=CC(O)CNC(C)C(C)C 2230a_100000211541_100000730141 [1,1,0,0,0,0|2,0,0]=4 1628 B10R0.82 C=CC(O)COC(C)C(C)C 7a_100000748068_100000730141 [1,1,0,0,0,0|2,0,0]=4 1629 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [1,1,0,0,0,0|1,0,1]=4 1630 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [1,1,0,0,0,0|1,0,1]=4 1631 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [1,1,0,0,0,0|1,0,0]=3 1632 B10R0.98 C=C(C)C(C)NCCC(C)O 269862a_200000755665_100011216138 [1,1,0,0,0,0|1,0,0]=3 1633 B10R0.98 C=C(C)C(C)NCCN(C)C 269862a_100000210585_100011216138 [1,1,0,0,0,0|2,0,0]=4 1634 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [1,1,0,0,0,0|1,0,1]=4 1635 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [1,1,0,0,0,0|1,0,1]=4 1636 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [1,1,0,0,0,0|1,0,1]=4 1637 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [1,1,0,0,0,0|1,0,1]=4 1638 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [1,1,0,0,0,0|1,0,1]=4 1639 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [1,1,0,0,0,0|1,0,1]=4 1640 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [1,1,0,0,0,0|1,0,1]=4 1641 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [1,1,0,0,0,0|1,0,1]=4 1642 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [1,1,0,0,0,0|1,0,1]=4 1643 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [1,1,0,0,0,0|1,0,1]=4 1644 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [1,1,0,0,0,0|1,0,1]=4 1645 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [1,1,0,0,0,0|1,0,1]=4 1646 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [1,1,0,0,0,0|1,0,1]=4 1647 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [1,1,0,0,0,0|1,0,1]=4 1648 B10R0.98 CC(C)CCCC(C)N(C)C 270004a_100102631434_100000753411 [1,1,0,0,0,0|1,0,1]=4 1649 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [1,1,0,0,0,0|2,0,0]=4 1650 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [1,1,0,0,0,0|2,0,0]=4 1651 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [1,1,0,0,0,0|2,0,0]=4 1652 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [1,1,0,0,0,0|2,0,0]=4 1653 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [1,1,0,0,0,0|2,0,0]=4 1654 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [1,1,0,0,0,0|2,0,0]=4 1655 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [1,1,0,0,0,0|2,0,0]=4 1656 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [1,1,0,0,0,0|2,0,0]=4 1657 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [1,1,0,0,0,0|2,0,0]=4 1658 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [1,1,0,0,0,0|2,0,0]=4 1659 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [1,1,0,0,0,0|2,0,0]=4 1660 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [1,1,0,0,0,0|2,0,0]=4 1661 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [1,1,0,0,0,0|2,0,0]=4 1662 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [1,1,0,0,0,0|2,0,0]=4 1663 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [1,1,0,0,0,0|2,0,0]=4 1664 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [1,1,0,0,0,0|2,0,0]=4 1665 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [1,1,0,0,0,0|2,0,0]=4 1666 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [1,1,0,0,0,0|2,0,0]=4 1667 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [1,1,0,0,0,0|2,0,0]=4 1668 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [1,1,0,0,0,0|2,0,0]=4 1669 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [1,1,0,0,0,0|2,0,0]=4 1670 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [1,1,0,0,0,0|2,0,0]=4 1671 B10R0.5 C=CCCCC(=O)C(C)(C)C 1458a_106744555173_100000757094 [1,1,0,0,0,0|1,0,1]=4 1672 B10R0.5 C=CCCCC(=O)C(C)(C)F 1458a_100000765255_100000757094 [1,1,0,0,0,0|1,0,1]=4 1673 B10R0.5 C=CCCCC(=O)C(C)(C)O 1458a_100000242741_100000757094 [1,1,0,0,0,0|0,0,1]=3 1674 B10R0.5 C=CCCCN(C)C(C)(C)C 269982a_100011215553_100000757094 [1,1,0,0,0,0|2,0,0]=4 1675 B10R0.5 C=CCCNC(=O)C(C)(C)O 240690a_100015191253_100000242741 [1,1,0,0,0,0|1,0,1]=4 1676 B10R0.5 C=CCCNC(C)C(C)(C)O 269862a_100015191253_100000747739 [1,1,0,0,0,0|1,0,0]=3 1677 B10R0.5 C=CCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000754431 [1,1,0,0,0,0|1,0,0]=3 1678 B10R0.5 C=CCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000754431 [1,1,0,0,0,0|2,0,0]=4 1679 B10R0.5 C=COCCC(=O)C(C)(C)O 1458a_100000242741_100000039644 [1,1,0,0,0,0|1,0,1]=4 1680 B10R0.15 C=C(Br)CCOCC(C)(C)C 34a_100009813270_100011219605 [1,1,0,0,0,0|2,0,0]=4 1681 B10R0.15 C=C(Br)CCOCC(C)(C)F 34a_100009813270_100011997219 [1,1,0,0,0,0|2,0,0]=4 1682 B10R0.15 C=C(Br)CCOCC(C)(C)O 34a_100009813270_100000764493 [1,1,0,0,0,0|1,0,0]=3 1683 B10R0.15 C=C(C)CCNCC(C)(C)C 2230a_100000743828_100000730704 [1,1,0,0,0,0|2,0,0]=4 1684 B10R0.15 C=C(C)CCNCC(C)(C)F 2230a_100020643315_100000730704 [1,1,0,0,0,0|2,0,0]=4 1685 B10R0.15 C=C(C)CCNCC(C)(C)O 2230a_100000751335_100000730704 [1,1,0,0,0,0|1,0,0]=3 1686 B10R0.15 C=C(C)CCOCC(C)(C)C 34a_100000764851_100011219605 [1,1,0,0,0,0|2,0,0]=4 1687 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000716592_100000730704 [1,1,0,0,0,0|2,0,0]=4 1688 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000764851_100011997219 [1,1,0,0,0,0|2,0,0]=4 1689 B10R0.15 C=C(C)CCOCC(C)(C)O 34a_100000764851_100000764493 [1,1,0,0,0,0|1,0,0]=3 1690 B10R0.15 C=C(C)CCSCC(C)(C)C 62a_100000730704_100011219605 [1,1,0,0,0,0|2,0,0]=4 1691 B10R0.15 C=C(C)CCSCC(C)(C)C 62a_100011219605_100000730704 [1,1,0,0,0,0|2,0,0]=4 1692 B10R0.15 C=C(C)CCSCC(C)(C)F 62a_100000730704_100011997219 [1,1,0,0,0,0|2,0,0]=4 1693 B10R0.15 C=C(C)CCSCC(C)(C)F 62a_100011997219_100000730704 [1,1,0,0,0,0|2,0,0]=4 1694 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000730704_100000764493 [1,1,0,0,0,0|1,0,0]=3 1695 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000764493_100000730704 [1,1,0,0,0,0|1,0,0]=3 1696 B10R0.15 C=C(C)CNCCC(C)(C)C 2230a_100000738805_100000748629 [1,1,0,0,0,0|2,0,0]=4 1697 B10R0.15 C=C(C)CNCCC(C)(C)F 2230a_100016253952_100000748629 [1,1,0,0,0,0|2,0,0]=4 1698 B10R0.15 C=C(C)COCCC(C)(C)C 34a_100000210245_100000755188 [1,1,0,0,0,0|2,0,0]=4 1699 B10R0.15 C=C(C)COCCC(C)(C)C 7a_100000765024_100000748629 [1,1,0,0,0,0|2,0,0]=4 1700 B10R0.15 C=C(C)COCCC(C)(C)O 34a_100000210245_100000702414 [1,1,0,0,0,0|1,0,0]=3 1701 B10R0.15 C=C(C)CSCCC(C)(C)C 62a_100000748629_100000755188 [1,1,0,0,0,0|2,0,0]=4 1702 B10R0.15 C=C(C)CSCCC(C)(C)C 62a_100000755188_100000211660 [1,1,0,0,0,0|2,0,0]=4 1703 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000702414_100000211660 [1,1,0,0,0,0|1,0,0]=3 1704 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000748629_100000702414 [1,1,0,0,0,0|1,0,0]=3 1705 B10R0.15 C=C(F)CNCCC(C)(C)C 2230a_100000738805_100009893438 [1,1,0,0,0,0|2,0,0]=4 1706 B10R0.15 C=C(F)CNCCC(C)(C)F 2230a_100016253952_100009893438 [1,1,0,0,0,0|2,0,0]=4 1707 B10R0.15 C=C(F)COCCC(C)(C)C 34a_200010262243_100000755188 [1,1,0,0,0,0|2,0,0]=4 1708 B10R0.15 C=C(F)COCCC(C)(C)C 7a_100000765024_100000042424 [1,1,0,0,0,0|2,0,0]=4 1709 B10R0.15 C=C(F)COCCC(C)(C)O 34a_200010262243_100000702414 [1,1,0,0,0,0|1,0,0]=3 1710 B10R0.15 C=C(F)CSCCC(C)(C)C 62a_100000042424_100000755188 [1,1,0,0,0,0|2,0,0]=4 1711 B10R0.15 C=C(F)CSCCC(C)(C)C 62a_100000755188_100000042424 [1,1,0,0,0,0|2,0,0]=4 1712 B10R0.15 C=C(F)CSCCC(C)(C)O 62a_100000042424_100000702414 [1,1,0,0,0,0|1,0,0]=3 1713 B10R0.15 C=C(F)CSCCC(C)(C)O 62a_100000702414_100000042424 [1,1,0,0,0,0|1,0,0]=3 1714 B10R0.15 CC(=O)CCOCC(C)(C)O 34a_100000759926_100000764493 [1,1,0,0,0,0|1,0,1]=4 1715 B10R0.15 CC(=O)CCOCC(C)(C)O 7a_100000759926_100000764493 [1,1,0,0,0,0|1,0,1]=4 1716 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000053229_100000764493 [1,1,0,0,0,0|1,0,1]=4 1717 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000764493_100000053229 [1,1,0,0,0,0|1,0,1]=4 1718 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [1,1,0,0,0,0|1,0,1]=4 1719 B10R0.15 CC(C)(O)CCNCC(=O)N 2230a_100000711301_100000702414 [1,1,0,0,0,0|2,0,0]=4 1720 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [1,1,0,0,0,0|2,0,0]=4 1721 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000702414_100000747473 [1,1,0,0,0,0|2,0,0]=4 1722 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000747473_100000702414 [1,1,0,0,0,0|2,0,0]=4 1723 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100000702414_100020667443 [1,1,0,0,0,0|2,0,0]=4 1724 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100020667443_100000702414 [1,1,0,0,0,0|2,0,0]=4 1725 B10R0.15 CC(C)(O)CNCCC(=O)N 2230a_100000751335_100000744528 [1,1,0,0,0,0|2,0,0]=4 1726 B10R0.15 CC(C)(O)COCCC(=O)N 34a_100000757172_100000764493 [1,1,0,0,0,0|2,0,0]=4 1727 B10R0.15 CC(C)(O)COCCC(=O)N 7a_100000757172_100000764493 [1,1,0,0,0,0|2,0,0]=4 1728 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000744528_100000764493 [1,1,0,0,0,0|2,0,0]=4 1729 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000764493_100000744528 [1,1,0,0,0,0|2,0,0]=4 1730 B10R0.22 C#CCCCNCC(C)(C)O 2230a_100000751335_100000731252 [1,1,0,0,0,0|0,0,2]=4 1731 B10R0.22 C#CCCCNCC(C)(C)O 34a_100000718082_100000764493 [1,1,0,0,0,0|0,0,2]=4 1732 B10R0.22 C#CCCCOCC(C)(C)O 34a_100000215630_100000764493 [1,1,0,0,0,0|0,0,2]=4 1733 B10R0.22 C#CCCCOCC(C)(C)O 7a_100000215630_100000764493 [1,1,0,0,0,0|0,0,2]=4 1734 B10R0.22 C#CCCCSCC(C)(C)O 62a_100000764493_100011215417 [1,1,0,0,0,0|0,0,2]=4 1735 B10R0.22 C#CCCCSCC(C)(C)O 62a_100011215417_100000764493 [1,1,0,0,0,0|0,0,2]=4 1736 B10R0.22 C#CCCNCCC(C)(C)O 34a_100000755551_100000702414 [1,1,0,0,0,0|0,0,2]=4 1737 B10R0.22 C#CCCOCCC(C)(C)O 34a_100011215631_100000702414 [1,1,0,0,0,0|0,0,2]=4 1738 B10R0.22 C#CCCSCCC(C)(C)O 62a_100000688953_100000702414 [1,1,0,0,0,0|0,0,2]=4 1739 B10R0.22 C#CCCSCCC(C)(C)O 62a_100000702414_100000688953 [1,1,0,0,0,0|0,0,2]=4 1740 B10R0.22 C#CCNCCCC(C)(C)O 34a_100000212058_100009888830 [1,1,0,0,0,0|0,0,2]=4 1741 B10R0.22 C#CCOCCCC(C)(C)O 34a_100000210247_100009888830 [1,1,0,0,0,0|0,0,2]=4 1742 B10R0.22 C#CCSCCCC(C)(C)O 62a_100000038162_100009888830 [1,1,0,0,0,0|0,0,2]=4 1743 B10R0.22 C/C=C/CCOCC(C)(C)C 34a_100016278192_100011219605 [1,1,0,0,0,0|2,0,0]=4 1744 B10R0.22 C/C=C/CCOCC(C)(C)F 34a_100016278192_100011997219 [1,1,0,0,0,0|2,0,0]=4 1745 B10R0.22 C/C=C/CCOCC(C)(C)O 34a_100016278192_100000764493 [1,1,0,0,0,0|1,0,0]=3 1746 B10R0.22 C/C=C/COCCC(C)(C)C 34a_100016270725_100000755188 [1,1,0,0,0,0|2,0,0]=4 1747 B10R0.22 C/C=C/COCCC(C)(C)C 7a_100000765024_100102629194 [1,1,0,0,0,0|2,0,0]=4 1748 B10R0.22 C/C=C/COCCC(C)(C)O 34a_100016270725_100000702414 [1,1,0,0,0,0|1,0,0]=3 1749 B10R0.22 C/C=C/CSCCC(C)(C)C 62a_100000755188_100102629194 [1,1,0,0,0,0|2,0,0]=4 1750 B10R0.22 C/C=C/CSCCC(C)(C)C 62a_100102629194_100000755188 [1,1,0,0,0,0|2,0,0]=4 1751 B10R0.22 C/C=C/CSCCC(C)(C)O 62a_100000702414_100102629194 [1,1,0,0,0,0|1,0,0]=3 1752 B10R0.22 C/C=C/CSCCC(C)(C)O 62a_100102629194_100000702414 [1,1,0,0,0,0|1,0,0]=3 1753 B10R0.22 C=CCCCCNC(C)(C)C 2230a_100000715429_100011215482 [1,1,0,0,0,0|1,0,0]=3 1754 B10R0.22 C=CCCCCNC(C)(C)C 34a_100000703577_100000210625 [1,1,0,0,0,0|1,0,0]=3 1755 B10R0.22 C=CCCCCOC(C)(C)C 34a_100000766645_100000210625 [1,1,0,0,0,0|1,0,0]=3 1756 B10R0.22 C=CCCCCOC(C)(C)C 34a_100015890283_100011215482 [1,1,0,0,0,0|1,0,0]=3 1757 B10R0.22 C=CCCCCOC(C)(C)C 7a_100015890283_100011215482 [1,1,0,0,0,0|1,0,0]=3 1758 B10R0.22 C=CCCCCSC(C)(C)C 62a_100000211941_100011215482 [1,1,0,0,0,0|1,0,0]=3 1759 B10R0.22 C=CCCCCSC(C)(C)C 62a_100011215482_100000211941 [1,1,0,0,0,0|1,0,0]=3 1760 B10R0.22 C=CCCCNCC(C)(C)C 2230a_100000743828_100011713584 [1,1,0,0,0,0|1,0,0]=3 1761 B10R0.22 C=CCCCNCC(C)(C)C 270004a_100000700776_100011204126 [1,1,0,0,0,0|1,0,0]=3 1762 B10R0.22 C=CCCCNCC(C)(C)C 34a_100000700776_100011219605 [1,1,0,0,0,0|1,0,0]=3 1763 B10R0.22 C=CCCCNCC(C)(C)F 2230a_100020643315_100011713584 [1,1,0,0,0,0|1,0,0]=3 1764 B10R0.22 C=CCCCNCC(C)(C)F 34a_100000700776_100011997219 [1,1,0,0,0,0|1,0,0]=3 1765 B10R0.22 C=CCCCNCC(C)(C)O 2230a_100000751335_100011713584 [1,1,0,0,0,0|0,0,0]=2 1766 B10R0.22 C=CCCCNCC(C)(C)O 34a_100000700776_100000764493 [1,1,0,0,0,0|0,0,0]=2 1767 B10R0.22 C=CCCCNC[Si](C)(C)C 2230a_100000700776_100000037933 [1,1,0,0,0,0|1,1,0]=4 1768 B10R0.22 C=CCCCOCC(C)(C)C 34a_100000758997_100011219605 [1,1,0,0,0,0|1,0,0]=3 1769 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000716592_100000757094 [1,1,0,0,0,0|1,0,0]=3 1770 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000758997_100011997219 [1,1,0,0,0,0|1,0,0]=3 1771 B10R0.22 C=CCCCOCC(C)(C)O 34a_100000758997_100000764493 [1,1,0,0,0,0|0,0,0]=2 1772 B10R0.22 C=CCCCOCC(C)(C)O 7a_100000758997_100000764493 [1,1,0,0,0,0|0,0,0]=2 1773 B10R0.22 C=CCCCOCC(C)(F)F 34a_100000068830_100000757094 [1,1,0,0,0,0|2,0,0]=4 1774 B10R0.22 C=CCCCOC[Si](C)(C)C 7a_100000758997_100000233785 [1,1,0,0,0,0|1,1,0]=4 1775 B10R0.22 C=CCCCSCC(C)(C)C 62a_100011219605_100000757094 [1,1,0,0,0,0|1,0,0]=3 1776 B10R0.22 C=CCCCSCC(C)(C)C 62a_100011713584_100011219605 [1,1,0,0,0,0|1,0,0]=3 1777 B10R0.22 C=CCCCSCC(C)(C)F 62a_100011713584_100011997219 [1,1,0,0,0,0|1,0,0]=3 1778 B10R0.22 C=CCCCSCC(C)(C)F 62a_100011997219_100000757094 [1,1,0,0,0,0|1,0,0]=3 1779 B10R0.22 C=CCCCSCC(C)(C)O 62a_100000764493_100000757094 [1,1,0,0,0,0|0,0,0]=2 1780 B10R0.22 C=CCCCSCC(C)(C)O 62a_100011713584_100000764493 [1,1,0,0,0,0|0,0,0]=2 1781 B10R0.22 C=CCCCSC[N+](C)(C)C 62a_100011713584_200000036245 [1,1,0,0,0,0|2,0,0]=4 1782 B10R0.22 C=CCCCSC[N+](C)(C)C 62a_200000036245_100000757094 [1,1,0,0,0,0|2,0,0]=4 1783 B10R0.22 C=CCCCSC[Si](C)(C)C 62a_100000037933_100000757094 [1,1,0,0,0,0|1,1,0]=4 1784 B10R0.22 C=CCCCSC[Si](C)(C)C 62a_100011713584_100000037933 [1,1,0,0,0,0|1,1,0]=4 1785 B10R0.22 C=CCCNCCC(C)(C)C 2230a_100000738805_100000754431 [1,1,0,0,0,0|1,0,0]=3 1786 B10R0.22 C=CCCNCCC(C)(C)C 2230a_100015191253_100000755188 [1,1,0,0,0,0|1,0,0]=3 1787 B10R0.22 C=CCCNCCC(C)(C)F 2230a_100016253952_100000754431 [1,1,0,0,0,0|1,0,0]=3 1788 B10R0.22 C=CCCNCCC(C)(C)O 2230a_100015191253_100000702414 [1,1,0,0,0,0|0,0,0]=2 1789 B10R0.22 C=CCCNCC[Si](C)(C)C 2230a_100015191253_200000733723 [1,1,0,0,0,0|1,1,0]=4 1790 B10R0.22 C=CCCOCCC(C)(C)C 34a_100011205117_100000755188 [1,1,0,0,0,0|1,0,0]=3 1791 B10R0.22 C=CCCOCCC(C)(C)C 7a_100000765024_100000754431 [1,1,0,0,0,0|1,0,0]=3 1792 B10R0.22 C=CCCOCCC(C)(C)O 34a_100011205117_100000702414 [1,1,0,0,0,0|0,0,0]=2 1793 B10R0.22 C=CCCOCC[N+](C)(C)C 34a_100011205117_100000085578 [1,1,0,0,0,0|2,0,0]=4 1794 B10R0.22 C=CCCOCC[N+](C)(C)C 7a_200020618287_100000754431 [1,1,0,0,0,0|2,0,0]=4 1795 B10R0.22 C=CCCOCC[Si](C)(C)C 34a_100011205117_200000733723 [1,1,0,0,0,0|1,1,0]=4 1796 B10R0.22 C=CCCOCC[Si](C)(C)C 7a_100000039746_100000754431 [1,1,0,0,0,0|1,1,0]=4 1797 B10R0.22 C=CCCSCCC(C)(C)C 62a_100000754431_100000755188 [1,1,0,0,0,0|1,0,0]=3 1798 B10R0.22 C=CCCSCCC(C)(C)C 62a_100000755188_100000754431 [1,1,0,0,0,0|1,0,0]=3 1799 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000702414_100000754431 [1,1,0,0,0,0|0,0,0]=2 1800 B10R0.22 C=CCCSCCC(C)(C)O 62a_100000754431_100000702414 [1,1,0,0,0,0|0,0,0]=2 1801 B10R0.22 C=CCCSCC[N+](C)(C)C 62a_100000085578_100000754431 [1,1,0,0,0,0|2,0,0]=4 1802 B10R0.22 C=CCCSCC[N+](C)(C)C 62a_100000754431_100000085578 [1,1,0,0,0,0|2,0,0]=4 1803 B10R0.22 C=CCCSCC[Si](C)(C)C 62a_100000754431_200000733723 [1,1,0,0,0,0|1,1,0]=4 1804 B10R0.22 C=CCCSCC[Si](C)(C)C 62a_200000733723_100000754431 [1,1,0,0,0,0|1,1,0]=4 1805 B10R0.22 C=CCNCCCC(C)(C)O 2230a_100020586998_100009888830 [1,1,0,0,0,0|0,0,0]=2 1806 B10R0.22 C=CCNCCC[N+](C)(C)C 2230a_100020586998_100016990835 [1,1,0,0,0,0|2,0,0]=4 1807 B10R0.22 C=CCNCCC[Si](C)(C)C 2230a_100020586998_100011219597 [1,1,0,0,0,0|1,1,0]=4 1808 B10R0.22 C=CCNCCOC(C)(C)C 2230a_100000747557_100000210623 [1,1,0,0,0,0|2,0,0]=4 1809 B10R0.22 C=CCNCCSC(C)(C)C 2230a_100000689375_100000210623 [1,1,0,0,0,0|2,0,0]=4 1810 B10R0.22 C=CCOCCCC(C)(C)O 34a_200000210373_100009888830 [1,1,0,0,0,0|0,0,0]=2 1811 B10R0.22 C=CCOCCC[N+](C)(C)C 34a_200000210373_100016990835 [1,1,0,0,0,0|2,0,0]=4 1812 B10R0.22 C=CCOCCC[Si](C)(C)C 34a_200000210373_100011219597 [1,1,0,0,0,0|1,1,0]=4 1813 B10R0.22 C=CCOCCC[Si](C)(C)C 7a_200011215415_100015514636 [1,1,0,0,0,0|1,1,0]=4 1814 B10R0.22 C=CCOCCOC(C)(C)C 34a_100000037705_100000210625 [1,1,0,0,0,0|2,0,0]=4 1815 B10R0.22 C=CCOCCOC(C)(C)C 34a_100000693234_100015514636 [1,1,0,0,0,0|2,0,0]=4 1816 B10R0.22 C=CCOCCOC(C)(C)C 7a_100000693234_100015514636 [1,1,0,0,0,0|2,0,0]=4 1817 B10R0.22 C=CCSCCCC(C)(C)O 62a_100000210623_100009888830 [1,1,0,0,0,0|0,0,0]=2 1818 B10R0.22 C=CCSCCCC(C)(C)O 62a_100009888830_100000210623 [1,1,0,0,0,0|0,0,0]=2 1819 B10R0.22 C=CCSCCC[N+](C)(C)C 62a_100000210623_100016990835 [1,1,0,0,0,0|2,0,0]=4 1820 B10R0.22 C=CCSCCC[N+](C)(C)C 62a_100016990835_100000210623 [1,1,0,0,0,0|2,0,0]=4 1821 B10R0.22 C=CCSCCC[Si](C)(C)C 62a_100000210623_100011219597 [1,1,0,0,0,0|1,1,0]=4 1822 B10R0.22 C=CCSCCC[Si](C)(C)C 62a_100011219597_100000210623 [1,1,0,0,0,0|1,1,0]=4 1823 B10R0.22 C=COCCCNC(C)(C)C 34a_100000210767_100000210625 [1,1,0,0,0,0|2,0,0]=4 1824 B10R0.22 C=COCCNCC(C)(C)C 2230a_100000743828_100000039644 [1,1,0,0,0,0|2,0,0]=4 1825 B10R0.22 C=COCCNCC(C)(C)F 2230a_100020643315_100000039644 [1,1,0,0,0,0|2,0,0]=4 1826 B10R0.22 C=COCCNCC(C)(C)O 2230a_100000751335_100000039644 [1,1,0,0,0,0|1,0,0]=3 1827 B10R0.22 C=COCCOCC(C)(C)C 34a_100000033082_100011219605 [1,1,0,0,0,0|2,0,0]=4 1828 B10R0.22 C=COCCOCC(C)(C)F 34a_100000033082_100011997219 [1,1,0,0,0,0|2,0,0]=4 1829 B10R0.22 C=COCCOCC(C)(C)F 34a_100000716592_100000039644 [1,1,0,0,0,0|2,0,0]=4 1830 B10R0.22 C=COCCOCC(C)(C)O 34a_100000033082_100000764493 [1,1,0,0,0,0|1,0,0]=3 1831 B10R0.22 C=COCCSCC(C)(C)C 62a_100000039644_100011219605 [1,1,0,0,0,0|2,0,0]=4 1832 B10R0.22 C=COCCSCC(C)(C)C 62a_100011219605_100000039644 [1,1,0,0,0,0|2,0,0]=4 1833 B10R0.22 C=COCCSCC(C)(C)F 62a_100000039644_100011997219 [1,1,0,0,0,0|2,0,0]=4 1834 B10R0.22 C=COCCSCC(C)(C)F 62a_100011997219_100000039644 [1,1,0,0,0,0|2,0,0]=4 1835 B10R0.22 C=COCCSCC(C)(C)O 62a_100000039644_100000764493 [1,1,0,0,0,0|1,0,0]=3 1836 B10R0.22 C=COCCSCC(C)(C)O 62a_100000764493_100000039644 [1,1,0,0,0,0|1,0,0]=3 1837 B10R0.22 CC(C)(C)CNCCCC=O 2230a_100000743828_200011292268 [1,1,0,0,0,0|2,0,0]=4 1838 B10R0.22 CC(C)(C)CSCCCC=O 62a_100011219605_200011292268 [1,1,0,0,0,0|2,0,0]=4 1839 B10R0.22 CC(C)(C)CSCCCC=O 62a_200011292268_100011219605 [1,1,0,0,0,0|2,0,0]=4 1840 B10R0.22 CC(C)(C)NCCCCC=O 2230a_100000715429_100000139335 [1,1,0,0,0,0|2,0,0]=4 1841 B10R0.22 CC(C)(C)OCCCCC=O 7a_100015890283_100000139335 [1,1,0,0,0,0|2,0,0]=4 1842 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000139335_100000211941 [1,1,0,0,0,0|2,0,0]=4 1843 B10R0.22 CC(C)(C)SCCCCC=O 62a_100000211941_100000139335 [1,1,0,0,0,0|2,0,0]=4 1844 B10R0.22 CC(C)(F)CNCCCC=O 2230a_100020643315_200011292268 [1,1,0,0,0,0|2,0,0]=4 1845 B10R0.22 CC(C)(F)CSCCCC=O 62a_100011997219_200011292268 [1,1,0,0,0,0|2,0,0]=4 1846 B10R0.22 CC(C)(F)CSCCCC=O 62a_200011292268_100011997219 [1,1,0,0,0,0|2,0,0]=4 1847 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [1,1,0,0,0,0|0,0,2]=4 1848 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [1,1,0,0,0,0|0,0,2]=4 1849 B10R0.22 CC(C)(O)CCCNCCF 34a_100000724931_100009888830 [1,1,0,0,0,0|1,0,1]=4 1850 B10R0.22 CC(C)(O)CCCNCCO 2230a_100016997473_100009888830 [1,1,0,0,0,0|1,0,1]=4 1851 B10R0.22 CC(C)(O)CCCNCCO 34a_100016990907_100009888830 [1,1,0,0,0,0|1,0,1]=4 1852 B10R0.22 CC(C)(O)CCCOCCBr 34a_100000211926_100009888830 [1,1,0,0,0,0|1,0,1]=4 1853 B10R0.22 CC(C)(O)CCCOCCN 34a_100000210304_100009888830 [1,1,0,0,0,0|1,0,1]=4 1854 B10R0.22 CC(C)(O)CCCSCC#N 62a_100009888830_100011215382 [1,1,0,0,0,0|1,0,1]=4 1855 B10R0.22 CC(C)(O)CCCSCC#N 62a_100011215382_100009888830 [1,1,0,0,0,0|1,0,1]=4 1856 B10R0.22 CC(C)(O)CCCSCC=O 62a_100009888830_200015260668 [1,1,0,0,0,0|1,0,0]=3 1857 B10R0.22 CC(C)(O)CCCSCC=O 62a_200015260668_100009888830 [1,1,0,0,0,0|1,0,0]=3 1858 B10R0.22 CC(C)(O)CCCSCCF 62a_100009888830_100011217306 [1,1,0,0,0,0|1,0,1]=4 1859 B10R0.22 CC(C)(O)CCCSCCF 62a_100011217306_100009888830 [1,1,0,0,0,0|1,0,1]=4 1860 B10R0.22 CC(C)(O)CCCSCCO 62a_100000211926_100009888830 [1,1,0,0,0,0|1,0,1]=4 1861 B10R0.22 CC(C)(O)CCCSCCO 62a_100009888830_100000211926 [1,1,0,0,0,0|1,0,1]=4 1862 B10R0.22 CC(C)(O)CCNCCCF 2230a_100015189416_100000702414 [1,1,0,0,0,0|1,0,1]=4 1863 B10R0.22 CC(C)(O)CCNCCCF 34a_100015189416_100000702414 [1,1,0,0,0,0|1,0,1]=4 1864 B10R0.22 CC(C)(O)CCOCCCBr 34a_100011217188_100000702414 [1,1,0,0,0,0|1,0,1]=4 1865 B10R0.22 CC(C)(O)CCOCCCCl 34a_100000230001_100000702414 [1,1,0,0,0,0|1,0,1]=4 1866 B10R0.22 CC(C)(O)CCOCCCF 34a_100000759539_100000702414 [1,1,0,0,0,0|1,0,1]=4 1867 B10R0.22 CC(C)(O)CCOCCCN 34a_100000182051_100000702414 [1,1,0,0,0,0|1,0,1]=4 1868 B10R0.22 CC(C)(O)CCOCCON 34a_100000700252_100000702414 [1,1,0,0,0,0|2,0,0]=4 1869 B10R0.22 CC(C)(O)CCSCCC#N 62a_100000702414_100011215226 [1,1,0,0,0,0|1,0,1]=4 1870 B10R0.22 CC(C)(O)CCSCCC#N 62a_100011215226_100000702414 [1,1,0,0,0,0|1,0,1]=4 1871 B10R0.22 CC(C)(O)CCSCCCF 62a_100000702414_100011934791 [1,1,0,0,0,0|1,0,1]=4 1872 B10R0.22 CC(C)(O)CCSCCCF 62a_100011934791_100000702414 [1,1,0,0,0,0|1,0,1]=4 1873 B10R0.22 CC(C)(O)CCSCCCO 62a_100000702414_100011215043 [1,1,0,0,0,0|1,0,1]=4 1874 B10R0.22 CC(C)(O)CCSCCCO 62a_100011215043_100000702414 [1,1,0,0,0,0|1,0,1]=4 1875 B10R0.22 CC(C)(O)CNCCCC#N 2230a_100000751335_100000687738 [1,1,0,0,0,0|1,0,1]=4 1876 B10R0.22 CC(C)(O)CNCCCC=O 2230a_100000751335_200011292268 [1,1,0,0,0,0|1,0,0]=3 1877 B10R0.22 CC(C)(O)CNCCCCF 2230a_100000751335_100000729493 [1,1,0,0,0,0|1,0,1]=4 1878 B10R0.22 CC(C)(O)CNCCCCO 2230a_100000751335_100000210776 [1,1,0,0,0,0|1,0,1]=4 1879 B10R0.22 CC(C)(O)CNCCCCO 34a_100000750430_100000764493 [1,1,0,0,0,0|1,0,1]=4 1880 B10R0.22 CC(C)(O)COCCCCBr 34a_100011216708_100000764493 [1,1,0,0,0,0|1,0,1]=4 1881 B10R0.22 CC(C)(O)COCCCCCl 34a_100000210776_100000764493 [1,1,0,0,0,0|1,0,1]=4 1882 B10R0.22 CC(C)(O)COCCCCCl 7a_100000210776_100000764493 [1,1,0,0,0,0|1,0,1]=4 1883 B10R0.22 CC(C)(O)COCCCCF 34a_100011995726_100000764493 [1,1,0,0,0,0|1,0,1]=4 1884 B10R0.22 CC(C)(O)COCCCCF 7a_100011995726_100000764493 [1,1,0,0,0,0|1,0,1]=4 1885 B10R0.22 CC(C)(O)COCCCCI 34a_200012148704_100000764493 [1,1,0,0,0,0|1,0,1]=4 1886 B10R0.22 CC(C)(O)COCCCCN 34a_100000750430_100000764493 [1,1,0,0,0,0|1,0,1]=4 1887 B10R0.22 CC(C)(O)CSCCCC#N 62a_100000687738_100000764493 [1,1,0,0,0,0|1,0,1]=4 1888 B10R0.22 CC(C)(O)CSCCCC#N 62a_100000764493_100000687738 [1,1,0,0,0,0|1,0,1]=4 1889 B10R0.22 CC(C)(O)CSCCCC=O 62a_100000764493_200011292268 [1,1,0,0,0,0|1,0,0]=3 1890 B10R0.22 CC(C)(O)CSCCCC=O 62a_200011292268_100000764493 [1,1,0,0,0,0|1,0,0]=3 1891 B10R0.22 CC(C)(O)CSCCCCF 62a_100000729493_100000764493 [1,1,0,0,0,0|1,0,1]=4 1892 B10R0.22 CC(C)(O)CSCCCCF 62a_100000764493_100000729493 [1,1,0,0,0,0|1,0,1]=4 1893 B10R0.22 CC(C)(O)CSCCCCO 62a_100000210776_100000764493 [1,1,0,0,0,0|1,0,1]=4 1894 B10R0.22 CC(C)(O)CSCCCCO 62a_100000764493_100000210776 [1,1,0,0,0,0|1,0,1]=4 1895 B10R0.22 CC=CCCCOC(C)(C)C 34a_100020645299_100000210625 [1,1,0,0,0,0|2,0,0]=4 1896 B10R0.22 CC=CCNCCC(C)(C)C 2230a_100000738805_100000070051 [1,1,0,0,0,0|2,0,0]=4 1897 B10R0.22 CC=CCNCCC(C)(C)F 2230a_100016253952_100000070051 [1,1,0,0,0,0|2,0,0]=4 1898 B10R0.22 CC=CCOCCC(C)(C)C 7a_100000765024_100000070051 [1,1,0,0,0,0|2,0,0]=4 1899 B10R0.22 CC=CCSCCC(C)(C)C 62a_100000070051_100000755188 [1,1,0,0,0,0|2,0,0]=4 1900 B10R0.22 CC=CCSCCC(C)(C)C 62a_100000755188_100000070051 [1,1,0,0,0,0|2,0,0]=4 1901 B10R0.22 CC=CCSCCC(C)(C)O 62a_100000070051_100000702414 [1,1,0,0,0,0|1,0,0]=3 1902 B10R0.22 CC=CCSCCC(C)(C)O 62a_100000702414_100000070051 [1,1,0,0,0,0|1,0,0]=3 1903 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [1,1,0,0,0,0|0,0,2]=4 1904 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [1,1,0,0,0,0|0,0,2]=4 1905 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [1,1,0,0,0,0|0,0,2]=4 1906 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [1,1,0,0,0,0|0,0,2]=4 1907 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [1,1,0,0,0,0|0,0,2]=4 1908 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [1,1,0,0,0,0|0,0,2]=4 1909 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [1,1,0,0,0,0|0,0,2]=4 1910 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [1,1,0,0,0,0|0,0,2]=4 1911 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [1,1,0,0,0,0|0,0,2]=4 1912 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [1,1,0,0,0,0|0,0,2]=4 1913 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [1,1,0,0,0,0|0,0,2]=4 1914 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [1,1,0,0,0,0|0,0,2]=4 1915 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [1,1,0,0,0,0|0,0,2]=4 1916 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [1,1,0,0,0,0|0,0,2]=4 1917 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [1,1,0,0,0,0|0,0,2]=4 1918 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [1,1,0,0,0,0|0,0,2]=4 1919 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [1,1,0,0,0,0|0,0,2]=4 1920 B10R0.22 CNCCCOCC(C)(C)O 34a_100000213112_100000764493 [1,1,0,0,0,0|1,0,1]=4 1921 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [1,1,0,0,0,0|0,0,2]=4 1922 B10R0.22 COCCCNCC(C)(C)O 2230a_100000751335_100000740836 [1,1,0,0,0,0|1,0,1]=4 1923 B10R0.22 COCCCNCC(C)(C)O 34a_100150723488_100000764493 [1,1,0,0,0,0|1,0,1]=4 1924 B10R0.22 COCCCOCC(C)(C)O 34a_100000740835_100000764493 [1,1,0,0,0,0|1,0,1]=4 1925 B10R0.22 COCCCSCC(C)(C)O 62a_100000709357_100000764493 [1,1,0,0,0,0|1,0,1]=4 1926 B10R0.22 COCCCSCC(C)(C)O 62a_100000764493_100000709357 [1,1,0,0,0,0|1,0,1]=4 1927 B10R0.22 COCCNCCC(C)(C)O 2230a_100000209980_100000702414 [1,1,0,0,0,0|1,0,1]=4 1928 B10R0.22 COCCOCCC(C)(C)O 34a_100000210237_100000702414 [1,1,0,0,0,0|1,0,1]=4 1929 B10R0.22 COCCSCCC(C)(C)O 62a_100000233755_100000702414 [1,1,0,0,0,0|1,0,1]=4 1930 B10R0.22 COCCSCCC(C)(C)O 62a_100000702414_100000233755 [1,1,0,0,0,0|1,0,1]=4 1931 B10R0.22 COCSCCCC(C)(C)O 62a_100000766300_100009888830 [1,1,0,0,0,0|1,0,1]=4 1932 B10R0.22 COCSCCCC(C)(C)O 62a_100009888830_100000766300 [1,1,0,0,0,0|1,0,1]=4 1933 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [1,1,0,0,0,0|0,0,2]=4 1934 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [1,1,0,0,0,0|0,0,2]=4 1935 B10R0.22 CSCCCOCC(C)(C)O 34a_100000690336_100000764493 [1,1,0,0,0,0|1,0,1]=4 1936 B10R0.22 CSCCCOCC(C)(C)O 7a_100000690336_100000764493 [1,1,0,0,0,0|1,0,1]=4 1937 B10R0.22 CSCCNCCC(C)(C)O 2230a_100020590264_100000702414 [1,1,0,0,0,0|1,0,1]=4 1938 B10R0.22 CSCCOCCC(C)(C)O 34a_100000230434_100000702414 [1,1,0,0,0,0|1,0,1]=4 1939 B10R0.22 CSCCOCCC(C)(C)O 7a_100000230434_100000702414 [1,1,0,0,0,0|1,0,1]=4 1940 B10R0.22 CSCCSCCC(C)(C)O 62a_100000212216_100000702414 [1,1,0,0,0,0|1,0,1]=4 1941 B10R0.22 CSCCSCCC(C)(C)O 62a_100000702414_100000751147 [1,1,0,0,0,0|1,0,1]=4 1942 B10R0.22 CSCSCCCC(C)(C)O 62a_100009888830_100011218213 [1,1,0,0,0,0|1,0,1]=4 1943 B10R0.22 CSCSCCCC(C)(C)O 62a_100011218213_100009888830 [1,1,0,0,0,0|1,0,1]=4 1944 B10R0.28 C=CCCC(=O)CC(C)(C)C 1458a_100000211214_100000754431 [1,1,0,0,0,0|1,0,1]=4 1945 B10R0.28 C=CCCC(=O)CC(C)(C)O 1458a_100000693243_100000754431 [1,1,0,0,0,0|0,0,1]=3 1946 B10R0.28 C=CCCC(C)OC(C)(C)C 34a_100000765329_100000210625 [1,1,0,0,0,0|2,0,0]=4 1947 B10R0.28 C=CCCN(C)CC(C)(C)C 2230a_100000742839_100000754431 [1,1,0,0,0,0|2,0,0]=4 1948 B10R0.28 C=CCCN(C)CC(C)(C)C 269982a_100000742839_100000754431 [1,1,0,0,0,0|2,0,0]=4 1949 B10R0.28 C=CCCN(C)CC(C)(C)C 270004a_100020639649_100011204126 [1,1,0,0,0,0|2,0,0]=4 1950 B10R0.28 C=CCCN(C)CC(C)(C)O 2230a_100000755907_100000754431 [1,1,0,0,0,0|1,0,0]=3 1951 B10R0.28 C=CCCN(C)CC(C)(C)O 269982a_100000755907_100000754431 [1,1,0,0,0,0|1,0,0]=3 1952 B10R0.28 C=CCNC(=O)CC(C)(C)O 527a_100020586998_100000693243 [1,1,0,0,0,0|1,0,1]=4 1953 B10R0.28 C=CCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210623 [1,1,0,0,0,0|2,0,0]=4 1954 B10R0.28 C=CCOC(C)CC(C)(C)C 7a_200011218616_100015514636 [1,1,0,0,0,0|2,0,0]=4 1955 B10R0.62 C#CC(C)(C)NCCCC=C 34a_100000054563_100000757094 [1,1,0,0,0,0|2,0,0]=4 1956 B10R0.62 C#CC(C)(C)NCCCC=C 34a_100000700776_100000038118 [1,1,0,0,0,0|2,0,0]=4 1957 B10R0.62 C#CC(C)(C)OCCCC=C 34a_100000189450_100000757094 [1,1,0,0,0,0|2,0,0]=4 1958 B10R0.62 C#CC(C)(C)OCCCC=C 34a_100000758997_100000038118 [1,1,0,0,0,0|2,0,0]=4 1959 B10R0.62 C#CC(C)(C)OCCCC=C 7a_100000189450_100000757094 [1,1,0,0,0,0|2,0,0]=4 1960 B10R0.62 C#CC(C)(C)SCCCC=C 62a_100000038118_100000757094 [1,1,0,0,0,0|2,0,0]=4 1961 B10R0.62 C#CC(C)(C)SCCCC=C 62a_100011713584_100000038118 [1,1,0,0,0,0|2,0,0]=4 1962 B10R0.62 C=CCCCNC(C)(C)C#N 34a_100000700776_100011162410 [1,1,0,0,0,0|2,0,0]=4 1963 B10R0.62 C=CCCCNC(C)(C)CC 2230a_100000211385_100011713584 [1,1,0,0,0,0|2,0,0]=4 1964 B10R0.62 C=CCCCNC(C)(C)CO 2230a_100000210608_100011713584 [1,1,0,0,0,0|1,0,0]=3 1965 B10R0.62 C=CCCCOC(C)(C)C#N 34a_100000758997_100011162410 [1,1,0,0,0,0|2,0,0]=4 1966 B10R0.62 C=CCCCOC(C)(C)C#N 34a_200015195151_100000757094 [1,1,0,0,0,0|2,0,0]=4 1967 B10R0.62 C=CCCCOC(C)(C)C#N 7a_100000758997_100011162410 [1,1,0,0,0,0|2,0,0]=4 1968 B10R0.62 C=CCCCOC(C)(C)C=C 34a_100011215311_100000757094 [1,1,0,0,0,0|2,0,0]=4 1969 B10R0.62 C=CCCCOC(C)(C)C=C 7a_100011215311_100000757094 [1,1,0,0,0,0|2,0,0]=4 1970 B10R0.62 C=CCCCOC(C)(C)CC 7a_100000210230_100000757094 [1,1,0,0,0,0|2,0,0]=4 1971 B10R0.62 C=CCCCOC(C)(C)CC 7a_100000758997_100000210677 [1,1,0,0,0,0|2,0,0]=4 1972 B10R0.62 C=CCCCOC(C)(C)CCl 7a_100000764493_100000757094 [1,1,0,0,0,0|2,0,0]=4 1973 B10R0.62 C=CCCCSC(C)(C)C#N 62a_100011162410_100000757094 [1,1,0,0,0,0|2,0,0]=4 1974 B10R0.62 C=CCCCSC(C)(C)C#N 62a_100011713584_100011162410 [1,1,0,0,0,0|2,0,0]=4 1975 B10R0.62 C=CCCCSC(C)(C)CC 62a_100000032637_100000757094 [1,1,0,0,0,0|2,0,0]=4 1976 B10R0.62 C=CCCCSC(C)(C)CC 62a_100011713584_100000032637 [1,1,0,0,0,0|2,0,0]=4 1977 B10R0.62 C=CCCNCC(C)(C)CO 2230a_100020635058_100000754431 [1,1,0,0,0,0|1,0,0]=3 1978 B10R0.62 C=CCCNCC(C)(C)OC 2230a_100000763424_100000754431 [1,1,0,0,0,0|1,0,0]=3 1979 B10R0.62 C=CCCNCC(C)(C)SC 270004a_100015191253_100009845794 [1,1,0,0,0,0|1,1,0]=4 1980 B10R0.62 C=CCCOCC(C)(C)CC 7a_100000765029_100000754431 [1,1,0,0,0,0|2,0,0]=4 1981 B10R0.62 C=CCCOCC(C)(C)CCl 7a_100011217199_100000754431 [1,1,0,0,0,0|2,0,0]=4 1982 B10R0.62 C=CCCOCC(C)(C)CO 34a_100011205117_100009813988 [1,1,0,0,0,0|1,0,0]=3 1983 B10R0.62 C=CCCOCC(C)(C)OC 34a_100011205117_100000701081 [1,1,0,0,0,0|1,0,0]=3 1984 B10R0.62 C=CCCSCC(C)(C)CO 62a_100000754431_100009813988 [1,1,0,0,0,0|1,0,0]=3 1985 B10R0.62 C=CCCSCC(C)(C)CO 62a_100009813988_100000754431 [1,1,0,0,0,0|1,0,0]=3 1986 B10R0.62 C=CCCSCC(C)(C)OC 62a_100000701081_100000754431 [1,1,0,0,0,0|1,0,0]=3 1987 B10R0.62 C=CCCSCC(C)(C)OC 62a_100000754431_100000701081 [1,1,0,0,0,0|1,0,0]=3 1988 B10R0.62 C=CCOCCC(C)(C)OC 7a_100000699976_100015514636 [1,1,0,0,0,0|1,0,0]=3 1989 B10R0.62 C=COCCNC(C)(C)CO 2230a_100000210608_100000039644 [1,1,0,0,0,0|2,0,0]=4 1990 B10R0.62 CC(C)(CCCCCBr)O[13CH3] 7a_100010402123_200025704644 [1,1,0,0,0,0|1,0,1]=4 1991 B10R0.62 CC(C)(CO)NCCCC=O 2230a_100000210608_200011292268 [1,1,0,0,0,0|2,0,0]=4 1992 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [1,1,0,0,0,0|0,0,2]=4 1993 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [1,1,0,0,0,0|0,0,2]=4 1994 B10R0.62 COC(C)(C)CCCCCBr 7a_100010402123_200000210301 [1,1,0,0,0,0|1,0,1]=4 1995 B10R0.62 COC(C)(C)CCOCC=O 7a_100000699976_200015260668 [1,1,0,0,0,0|2,0,0]=4 1996 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000210193_100000755188 [1,1,0,0,0,0|1,0,1]=4 1997 B10R0.109 C=CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210623 [1,1,0,0,0,0|1,0,1]=4 1998 B10R0.109 C=CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210193 [1,1,0,0,0,0|1,0,1]=4 1999 B10R0.109 C=CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210193 [1,1,0,0,0,0|1,0,1]=4 2000 B10R0.109 C=CCC(=O)NCC(C)(C)O 527a_100000751335_100000210193 [1,1,0,0,0,0|1,0,1]=4 2001 B10R0.109 C=CCC(C)COC(C)(C)C 34a_100009832082_100000210625 [1,1,0,0,0,0|2,0,0]=4 2002 B10R0.109 C=CCN(C)CCC(C)(C)C 2230a_100000225617_100000755188 [1,1,0,0,0,0|2,0,0]=4 2003 B10R0.109 C=CCN(C)CCC(C)(C)C 269982a_100000225617_100000755188 [1,1,0,0,0,0|2,0,0]=4 2004 B10R0.109 C=CCN(C)CCC(C)(C)O 2230a_100000225617_100000702414 [1,1,0,0,0,0|1,0,0]=3 2005 B10R0.109 C=CC[C@@H](C)OCC(C)(C)C 34a_100000731007_100011219605 [1,1,0,0,0,0|2,0,0]=4 2006 B10R0.109 C=CC[C@@H](C)OCC(C)(C)F 34a_100000731007_100011997219 [1,1,0,0,0,0|2,0,0]=4 2007 B10R0.109 C=CC[C@@H](C)OCC(C)(C)O 34a_100000731007_100000764493 [1,1,0,0,0,0|1,0,0]=3 2008 B10R0.109 C=CC[C@@H](C)OCC(C)(C)O 7a_100000731007_100000764493 [1,1,0,0,0,0|1,0,0]=3 2009 B10R0.109 C=CC[C@@H](N)COC(C)(C)C 34a_100020615467_100000210625 [1,1,0,0,0,0|2,0,0]=4 2010 B10R0.12 C=C(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000730704 [1,1,0,0,0,0|0,0,2]=4 2011 B10R0.12 C=C(C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000748629 [1,1,0,0,0,0|1,0,1]=4 2012 B10R0.12 CC(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000210312 [1,1,0,0,0,0|0,0,2]=4 2013 B10R0.12 CC(C)CNC(C)C(C)(C)O 269862a_100000210953_100000747739 [1,1,0,0,0,0|1,0,1]=4 2014 B10R0.12 CC(C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210760 [1,1,0,0,0,0|1,0,1]=4 2015 B10R0.12 CC(O)CCC(=O)C(C)(C)O 1458a_100000242741_100012276601 [1,1,0,0,0,0|1,0,1]=4 2016 B10R0.12 CC(O)CNC(C)C(C)(C)O 269862a_100000210904_100000747739 [1,1,0,0,0,0|2,0,0]=4 2017 B10R0.12 CC(O)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100011218427 [1,1,0,0,0,0|2,0,0]=4 2018 B10R0.12 C[C@H](NC[C@@H](C)O)C(C)(C)O 2230a_100025708725_100009817552 [1,1,0,0,0,0|2,0,0]=4 2019 B10R0.31 C=C(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748629 [1,1,0,0,0,0|0,0,2]=4 2020 B10R0.31 C=C(C)CN(C)CC(C)(C)O 2230a_100000755907_100000748629 [1,1,0,0,0,0|1,0,1]=4 2021 B10R0.31 C=C(C)CN(C)CC(C)(C)O 269982a_100000755907_100000748629 [1,1,0,0,0,0|1,0,1]=4 2022 B10R0.31 CC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000210624 [1,1,0,0,0,0|0,0,2]=4 2023 B10R0.31 CC(C)CN(C)CC(C)(C)O 2230a_100000755907_100000210760 [1,1,0,0,0,0|1,0,1]=4 2024 B10R0.31 CC(C)CN(C)CC(C)(C)O 269982a_100000755907_100000210624 [1,1,0,0,0,0|1,0,1]=4 2025 B10R0.31 CC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000210432 [1,1,0,0,0,0|1,0,1]=4 2026 B10R0.31 CC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218427 [1,1,0,0,0,0|1,0,1]=4 2027 B10R0.31 CC(O)CN(C)CC(C)(C)O 2230a_100000755907_100011218427 [1,1,0,0,0,0|2,0,0]=4 2028 B10R0.31 CC(O)CN(C)CC(C)(C)O 269982a_100000755907_100011218427 [1,1,0,0,0,0|2,0,0]=4 2029 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)O 2230a_100000755907_100009817552 [1,1,0,0,0,0|2,0,0]=4 2030 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)O 269982a_100000755907_100009817552 [1,1,0,0,0,0|2,0,0]=4 2031 B10R0.92 C=C(C)C(C)NCC(C)(C)O 269862a_100000751335_100011216138 [1,1,0,0,0,0|1,0,1]=4 2032 B10R0.92 CC(C)C(C)OCC(C)(C)O 7a_100000748068_100000764493 [1,1,0,0,0,0|1,0,1]=4 2033 B10R0.113 CC(C)(C)CNCC(C)(C)O 270004a_100000751335_100011204126 [1,1,0,0,0,0|1,0,1]=4 2034 B10R0.113 CC(C)(C)CSCC(C)(C)O 62a_100000764493_100011219605 [1,1,0,0,0,0|1,0,1]=4 2035 B10R0.113 CC(C)(C)CSCC(C)(C)O 62a_100011219605_100000764493 [1,1,0,0,0,0|1,0,1]=4 2036 B10R0.113 CC(C)(O)CCNC(C)(C)C 2230a_100000715429_100000702414 [1,1,0,0,0,0|1,0,1]=4 2037 B10R0.113 CC(C)(O)CCOC(C)(C)C 34a_100015890283_100000702414 [1,1,0,0,0,0|1,0,1]=4 2038 B10R0.113 CC(C)(O)CCOC(C)(C)C 7a_100015890283_100000702414 [1,1,0,0,0,0|1,0,1]=4 2039 B10R0.113 CC(C)(O)CCSC(C)(C)C 62a_100000211941_100000702414 [1,1,0,0,0,0|1,0,1]=4 2040 B10R0.113 CC(C)(O)CCSC(C)(C)C 62a_100000702414_100000211941 [1,1,0,0,0,0|1,0,1]=4 2041 B10R0.113 CC(C)(O)COCC(C)(C)F 34a_100000716592_100000764493 [1,1,0,0,0,0|1,0,1]=4 2042 B10R0.113 CC(C)(O)COCC(C)(F)F 34a_100000068830_100000764493 [1,1,0,0,0,0|2,0,0]=4 2043 B10R0.113 CC(C)(O)CSCC(C)(C)F 62a_100000764493_100011997219 [1,1,0,0,0,0|1,0,1]=4 2044 B10R0.113 CC(C)(O)CSCC(C)(C)F 62a_100011997219_100000764493 [1,1,0,0,0,0|1,0,1]=4 2045 B10R0.113 CC(C)(O)CSCC(C)(C)O 62a_100000764493_100000764493 [1,1,0,0,0,0|1,0,1]=4 2046 B10R0.11 C=CC(C=C)OCC(C)(C)O 34a_100000033096_100000764493 [0,1,0,0,1,0|1,0,1]=4 2047 B10R0.11 C=CC(CC)OCC(C)(C)C 34a_100000766422_100011219605 [0,1,0,0,1,0|2,0,0]=4 2048 B10R0.11 C=CC(CC)OCC(C)(C)F 34a_100000766422_100011997219 [0,1,0,0,1,0|2,0,0]=4 2049 B10R0.11 C=CC(CC)OCC(C)(C)O 34a_100000766422_100000764493 [0,1,0,0,1,0|1,0,0]=3 2050 B10R0.11 C=CC(CC)OCC(C)(C)O 7a_100000766422_100000764493 [0,1,0,0,1,0|1,0,0]=3 2051 B10R0.11 C=C[C@@H](CO)NCC(C)(C)C 270004a_100016989147_100011204126 [0,1,0,0,1,0|2,0,0]=4 2052 B10R0.11 C=C[C@@H](CO)NCC(C)(C)C 34a_100016989147_100011219605 [0,1,0,0,1,0|2,0,0]=4 2053 B10R0.11 C=C[C@@H](CO)NCC(C)(C)F 34a_100016989147_100011997219 [0,1,0,0,1,0|2,0,0]=4 2054 B10R0.11 C=C[C@@H](CO)NCC(C)(C)O 34a_100016989147_100000764493 [0,1,0,0,1,0|1,0,0]=3 2055 B10R0.37 C=CC(C)N(C)CC(C)(C)C 269982a_100000742839_100011215867 [0,1,0,0,1,0|2,0,0]=4 2056 B10R0.37 C=CC(C)N(C)CC(C)(C)O 269982a_100000755907_100011215867 [0,1,0,0,1,0|1,0,0]=3 2057 B10R0.37 C=C[C@@H](C)[C@@H](C)OC(C)(C)C 34a_100015455354_100000210625 [0,1,0,0,1,0|2,0,0]=4 2058 B10R0.115 C#CC(C)(C)OCC(C)C=C 34a_100011215527_100000038118 [0,1,0,0,1,0|2,0,0]=4 2059 B10R0.115 C=CC(C)COC(C)(C)C#N 34a_100011215527_100011162410 [0,1,0,0,1,0|2,0,0]=4 2060 B10R0.115 C=CC(C)COC(C)(C)C#N 7a_100011215527_100011162410 [0,1,0,0,1,0|2,0,0]=4 2061 B10R0.115 C=CC(C)COC(C)(C)CC 7a_100011215527_100000210677 [0,1,0,0,1,0|2,0,0]=4 2062 B10R0.115 C=CC(C)OCC(C)(C)CO 34a_100000695699_100009813988 [0,1,0,0,1,0|1,0,0]=3 2063 B10R0.115 C=CC(C)OCC(C)(C)OC 34a_100000695699_100000701081 [0,1,0,0,1,0|1,0,0]=3 2064 B10R0.115 C=CC(C)SCC(C)(C)CO 62a_100011215867_100009813988 [0,1,0,0,1,0|1,0,0]=3 2065 B10R0.115 C=CC(C)SCC(C)(C)OC 62a_100011215867_100000701081 [0,1,0,0,1,0|1,0,0]=3 2066 B10R0.115 C=CC(O)CNC(C)(C)CO 2230a_100000210608_100000730141 [0,1,0,0,1,0|2,0,0]=4 2067 B10R0.150 C=CC(C)(C)OCC(C)(C)C 34a_100011215311_100011219605 [0,1,0,0,1,0|2,0,0]=4 2068 B10R0.150 C=CC(C)(C)OCC(C)(C)F 34a_100011215311_100011997219 [0,1,0,0,1,0|2,0,0]=4 2069 B10R0.150 C=CC(C)(C)OCC(C)(C)O 34a_100011215311_100000764493 [0,1,0,0,1,0|1,0,0]=3 2070 B10R0.150 C=CC(C)(C)OCC(C)(C)O 7a_100011215311_100000764493 [0,1,0,0,1,0|1,0,0]=3 2071 B10R0.150 C=CC(F)(F)SCC(C)(C)O 62a_100000764493_100009814244 [0,1,0,0,1,0|2,0,0]=4 2072 B10R0.150 C=CC(F)(F)SCC(C)(C)O 62a_100009814244_100000764493 [0,1,0,0,1,0|2,0,0]=4 2073 B12R0.72 C#CCC(C)OCCCC(C)(C)O 34a_100000685586_100009888830 [0,1,0,0,0,1|0,0,2]=4 2074 B12R0.72 C#CCC(C)OCCCC(C)(C)O 7a_100000685586_100009888830 [0,1,0,0,0,1|0,0,2]=4 2075 B12R0.72 C/C=C/C(C)OCCCC(C)(C)O 34a_200102604097_100009888830 [0,1,0,0,0,1|0,0,0]=2 2076 B12R0.72 C/C=C/C(C)OCCC[N+](C)(C)C 34a_200102604097_100016990835 [0,1,0,0,0,1|2,0,0]=4 2077 B12R0.72 C/C=C/C(C)OCCC[Si](C)(C)C 34a_200102604097_100011219597 [0,1,0,0,0,1|1,1,0]=4 2078 B12R0.72 C=CCC(C)COCCC(C)(C)C 34a_100009832082_100000755188 [0,1,0,0,0,1|1,0,0]=3 2079 B12R0.72 C=CCC(C)COCCC(C)(C)C 7a_100009832082_100000755188 [0,1,0,0,0,1|1,0,0]=3 2080 B12R0.72 C=CCC(C)COCCC(C)(C)O 34a_100009832082_100000702414 [0,1,0,0,0,1|0,0,0]=2 2081 B12R0.72 C=CCC(C)COCCC(C)(C)O 7a_100009832082_100000702414 [0,1,0,0,0,1|0,0,0]=2 2082 B12R0.72 C=CCC(C)COCC[N+](C)(C)C 34a_100009832082_100000085578 [0,1,0,0,0,1|2,0,0]=4 2083 B12R0.72 C=CCC(C)COCC[N+](C)(C)C 7a_100009832082_100000085578 [0,1,0,0,0,1|2,0,0]=4 2084 B12R0.72 C=CCC(C)COCC[Si](C)(C)C 34a_100009832082_200000733723 [0,1,0,0,0,1|1,1,0]=4 2085 B12R0.72 C=CCC(C)COCC[Si](C)(C)C 7a_100009832082_200000733723 [0,1,0,0,0,1|1,1,0]=4 2086 B12R0.72 C=CC[C@@H](C)OCCCC(C)(C)O 34a_100000731007_100009888830 [0,1,0,0,0,1|0,0,0]=2 2087 B12R0.72 C=CC[C@@H](C)OCCCC(C)(C)O 7a_100000731007_100009888830 [0,1,0,0,0,1|0,0,0]=2 2088 B12R0.72 C=CC[C@@H](C)OCCC[N+](C)(C)C 34a_100000731007_100016990835 [0,1,0,0,0,1|2,0,0]=4 2089 B12R0.72 C=CC[C@@H](C)OCCC[N+](C)(C)C 7a_100000731007_100016990835 [0,1,0,0,0,1|2,0,0]=4 2090 B12R0.72 C=CC[C@@H](C)OCCC[Si](C)(C)C 34a_100000731007_100011219597 [0,1,0,0,0,1|1,1,0]=4 2091 B12R0.72 C=CC[C@@H](C)OCCC[Si](C)(C)C 7a_100000731007_100011219597 [0,1,0,0,0,1|1,1,0]=4 2092 B12R0.72 C=CC[C@@H](N)COCCC(C)(C)C 34a_100020615467_100000755188 [0,1,0,0,0,1|2,0,0]=4 2093 B12R0.72 C=CC[C@@H](N)COCCC(C)(C)O 34a_100020615467_100000702414 [0,1,0,0,0,1|1,0,0]=3 2094 B12R0.72 C=COC(=O)CSCCC(C)(C)O 62a_100000036128_100000702414 [0,1,0,0,0,1|1,0,1]=4 2095 B12R0.72 C=COC(=O)CSCCC(C)(C)O 62a_100000702414_100000036128 [0,1,0,0,0,1|1,0,1]=4 2096 B12R0.72 CC#CC(C)OCCCC(C)(C)O 34a_100011216543_100009888830 [0,1,0,0,0,1|0,0,2]=4 2097 B12R0.72 CC(CC#N)SCCCC(C)(C)O 62a_100009813641_100009888830 [0,1,0,0,0,1|0,0,2]=4 2098 B12R0.72 CC(CC#N)SCCCC(C)(C)O 62a_100009888830_100009813641 [0,1,0,0,0,1|0,0,2]=4 2099 B12R0.72 CC(CCBr)OCCCC(C)(C)O 34a_100012276601_100009888830 [0,1,0,0,0,1|0,0,2]=4 2100 B12R0.72 CC(CCN)COCCC(C)(C)O 34a_106354213184_100000702414 [0,1,0,0,0,1|0,0,2]=4 2101 B12R0.72 CC(CCO)SCCCC(C)(C)O 62a_100009888830_100009893172 [0,1,0,0,0,1|0,0,2]=4 2102 B12R0.72 CC(CCO)SCCCC(C)(C)O 62a_100009893172_100009888830 [0,1,0,0,0,1|0,0,2]=4 2103 B12R0.72 CCCC(C)CCOCC(C)(C)O 34a_100011217855_100000764493 [0,1,0,0,0,1|0,0,2]=4 2104 B12R0.72 CCCC(C)CCOCC(C)(C)O 7a_100011217855_100000764493 [0,1,0,0,0,1|0,0,2]=4 2105 B12R0.72 CCCC(C)CNCCC(C)(C)O 270004a_100000707701_100000243154 [0,1,0,0,0,1|0,0,2]=4 2106 B12R0.72 CCCC(C)COCCC(C)(C)O 34a_100000688023_100000702414 [0,1,0,0,0,1|0,0,2]=4 2107 B12R0.72 CCCC(C)COCCC(C)(C)O 7a_100000688023_100000702414 [0,1,0,0,0,1|0,0,2]=4 2108 B12R0.72 CCCC(C)CSCCC(C)(C)O 62a_100000702414_100011216630 [0,1,0,0,0,1|0,0,2]=4 2109 B12R0.72 CCCC(C)CSCCC(C)(C)O 62a_100011216630_100000702414 [0,1,0,0,0,1|0,0,2]=4 2110 B12R0.72 CCCC(C)NCCCC(C)(C)O 2230a_100000741246_100009888830 [0,1,0,0,0,1|0,0,2]=4 2111 B12R0.72 CCCC(C)OCCCC(C)(C)O 34a_100000764384_100009888830 [0,1,0,0,0,1|0,0,2]=4 2112 B12R0.72 CCCC(C)OCCCC(C)(C)O 7a_100000764384_100009888830 [0,1,0,0,0,1|0,0,2]=4 2113 B12R0.72 CCCC(C)SCCCC(C)(C)O 62a_100000766640_100009888830 [0,1,0,0,0,1|0,0,2]=4 2114 B12R0.72 CCCC(C)SCCCC(C)(C)O 62a_100009888830_100000766640 [0,1,0,0,0,1|0,0,2]=4 2115 B12R0.72 COCC(C)SCCCC(C)(C)O 62a_100000765312_100009888830 [0,1,0,0,0,1|0,0,2]=4 2116 B12R0.72 COCC(C)SCCCC(C)(C)O 62a_100009888830_100000765312 [0,1,0,0,0,1|0,0,2]=4 2117 B12R0.72 COC[C@@H](C)NCCCC(C)(C)O 2230a_100000764878_100009888830 [0,1,0,0,0,1|0,0,2]=4 2118 B12R0.72 COC[C@@H](C)OCCCC(C)(C)O 34a_100011934205_100009888830 [0,1,0,0,0,1|0,0,2]=4 2119 B12R0.72 C[C@@H](CC#N)NCCCC(C)(C)O 2230a_100016994482_100009888830 [0,1,0,0,0,1|0,0,2]=4 2120 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 2230a_100000706166_100009888830 [0,1,0,0,0,1|0,0,2]=4 2121 B12R0.72 C[C@H](CCO)NCCCC(C)(C)O 34a_100000706166_100009888830 [0,1,0,0,0,1|0,0,2]=4 2122 B12R0.90 C/C=C(\C)/C(C)NCCC(C)(C)O 269862a_100000707701_100020675665 [0,1,0,0,0,1|0,0,2]=4 2123 B12R0.90 C=CC(C)C(=O)CCC[N+](C)(C)C 1458a_100011216780_100016990835 [0,1,0,0,0,1|2,0,0]=4 2124 B12R0.90 C=CC(C)C(=O)CCC[Si](C)(C)C 1458a_100011216780_100011219597 [0,1,0,0,0,1|1,1,0]=4 2125 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)C 11a_100000738805_100011216780 [0,1,0,0,0,1|1,0,1]=4 2126 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)C 1626a_100000738805_100011216780 [0,1,0,0,0,1|1,0,1]=4 2127 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)C 240690a_100000738805_100011216780 [0,1,0,0,0,1|1,0,1]=4 2128 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)C 527a_100000738805_100011216780 [0,1,0,0,0,1|1,0,1]=4 2129 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)F 11a_100016253952_100011216780 [0,1,0,0,0,1|1,0,1]=4 2130 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)F 1626a_100016253952_100011216780 [0,1,0,0,0,1|1,0,1]=4 2131 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)F 240690a_100016253952_100011216780 [0,1,0,0,0,1|1,0,1]=4 2132 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)F 527a_100016253952_100011216780 [0,1,0,0,0,1|1,0,1]=4 2133 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100011216780 [0,1,0,0,0,1|0,0,1]=3 2134 B12R0.90 C=CC(C)C(=O)NCCC(C)(C)O 527a_100000707701_100011216780 [0,1,0,0,0,1|0,0,1]=3 2135 B12R0.90 C=CC(C)N(C)CCOC(C)(C)C 269982a_100000690421_100011215867 [0,1,0,0,0,1|2,0,0]=4 2136 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)C 34a_100015455354_100000755188 [0,1,0,0,0,1|1,0,0]=3 2137 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)C 7a_100015455354_100000755188 [0,1,0,0,0,1|1,0,0]=3 2138 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)O 34a_100015455354_100000702414 [0,1,0,0,0,1|0,0,0]=2 2139 B12R0.90 C=C[C@@H](C)[C@@H](C)OCCC(C)(C)O 7a_100015455354_100000702414 [0,1,0,0,0,1|0,0,0]=2 2140 B12R0.90 C=C[C@@H](C)[C@@H](C)OCC[N+](C)(C)C 34a_100015455354_100000085578 [0,1,0,0,0,1|2,0,0]=4 2141 B12R0.90 C=C[C@@H](C)[C@@H](C)OCC[N+](C)(C)C 7a_100015455354_100000085578 [0,1,0,0,0,1|2,0,0]=4 2142 B12R0.90 C=C[C@@H](C)[C@@H](C)OCC[Si](C)(C)C 34a_100015455354_200000733723 [0,1,0,0,0,1|1,1,0]=4 2143 B12R0.90 C=C[C@@H](C)[C@@H](C)OCC[Si](C)(C)C 7a_100015455354_200000733723 [0,1,0,0,0,1|1,1,0]=4 2144 B12R0.90 CC(CO)N(C)CCCC(C)(C)O 2230a_100000693034_100009888830 [0,1,0,0,0,1|1,0,1]=4 2145 B12R0.90 CC(CO)N(C)CCCC(C)(C)O 269982a_100000693034_100009888830 [0,1,0,0,0,1|1,0,1]=4 2146 B12R0.90 CCC(C)C(C)NCCC(C)(C)O 269862a_100000707701_100000210599 [0,1,0,0,0,1|0,0,2]=4 2147 B12R0.90 CCC(C)C(C)NCCC(C)(C)O 270004a_100000707701_100000210599 [0,1,0,0,0,1|0,0,2]=4 2148 B12R0.90 CCC(C)C(C)OCCC(C)(C)O 7a_100011215189_100000702414 [0,1,0,0,0,1|0,0,2]=4 2149 B12R0.90 CCC(C)N(C)CCCC(C)(C)O 2230a_100000741768_100009888830 [0,1,0,0,0,1|0,0,2]=4 2150 B12R0.90 CCC(C)N(C)CCCC(C)(C)O 269982a_100000741768_100009888830 [0,1,0,0,0,1|0,0,2]=4 2151 B12R0.131 C=CC(=O)NCCCC(C)(C)CO 240690a_100000039164_200121576911 [0,1,0,0,0,1|1,0,1]=4 2152 B12R0.131 C=CC(C)OCCCC(C)(C)C#N 34a_100000695699_100000759902 [0,1,0,0,0,1|1,0,0]=3 2153 B12R0.131 C=CC(C)SCCCC(C)(C)C#N 62a_100011215867_100000759902 [0,1,0,0,0,1|1,0,0]=3 2154 B12R0.131 C=CC(O)COCCC(C)(C)OC 7a_100000699976_100000730141 [0,1,0,0,0,1|1,0,0]=3 2155 B12R0.131 CC(C#N)NCCCC(C)(C)CO 2230a_100000039164_100000184139 [0,1,0,0,0,1|1,0,1]=4 2156 B12R0.131 CC(CO)CCNCC(C)(C)CO 34a_106354213184_100009813988 [0,1,0,0,0,1|1,0,1]=4 2157 B12R0.131 CC(CO)NCCCC(C)(C)CO 2230a_100000039164_100012180447 [0,1,0,0,0,1|1,0,1]=4 2158 B12R0.131 CCC(C)CCOCC(C)(C)CO 7a_100011215188_100009813988 [0,1,0,0,0,1|0,0,2]=4 2159 B12R0.131 CCC(C)COCCC(C)(C)OC 7a_100000699976_100000748023 [0,1,0,0,0,1|0,0,2]=4 2160 B12R0.131 CCC(C)NCCCC(C)(C)CO 2230a_100000039164_100000758301 [0,1,0,0,0,1|0,0,2]=4 2161 B12R0.131 CC[C@H](C)COCCC(C)(C)OC 7a_100000699976_100009816398 [0,1,0,0,0,1|0,0,2]=4 2162 B12R0.131 COC(C)(C)CCOC[C@@H](C)CO 7a_100000699976_100000059175 [0,1,0,0,0,1|1,0,1]=4 2163 B12R0.131 COC(C)(C)CNCCC(C)CO 34a_106354213184_100000701081 [0,1,0,0,0,1|1,0,1]=4 2164 B12R0.131 COC(C)CCOCC(C)(C)CO 7a_100000764861_100009813988 [0,1,0,0,0,1|1,0,1]=4 2165 B12R0.155 C=CC(C)OCC(O)C[N+](C)(C)C 34a_100000695699_100000032816 [0,1,0,0,0,1|2,0,0]=4 2166 B12R0.155 C=CC(C)SCC(O)C[N+](C)(C)C 62a_100011215867_100000032816 [0,1,0,0,0,1|2,0,0]=4 2167 B12R0.155 C=CC(O)CN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000730141 [0,1,0,0,0,1|2,0,0]=4 2168 B12R0.155 C=CC(O)COC(C)CC(C)(C)C 7a_200011218616_100000730141 [0,1,0,0,0,1|2,0,0]=4 2169 B12R0.211 C#CC(C)(C)NCCCC(C)(C)O 34a_100000054563_100009888830 [0,1,0,0,0,1|0,0,2]=4 2170 B12R0.211 C#CC(C)(C)OCCCC(C)(C)O 34a_100000189450_100009888830 [0,1,0,0,0,1|0,0,2]=4 2171 B12R0.211 C#CC(C)(C)OCCCC(C)(C)O 7a_100000189450_100009888830 [0,1,0,0,0,1|0,0,2]=4 2172 B12R0.211 C#CC(C)(C)SCCCC(C)(C)O 62a_100000038118_100009888830 [0,1,0,0,0,1|0,0,2]=4 2173 B12R0.211 C#CC(C)(C)SCCCC(C)(C)O 62a_100009888830_100000038118 [0,1,0,0,0,1|0,0,2]=4 2174 B12R0.211 C=CC(C)(C)OCCCC(C)(C)O 34a_100011215311_100009888830 [0,1,0,0,0,1|0,0,0]=2 2175 B12R0.211 C=CC(C)(C)OCCCC(C)(C)O 7a_100011215311_100009888830 [0,1,0,0,0,1|0,0,0]=2 2176 B12R0.211 C=CC(C)(C)OCCC[N+](C)(C)C 34a_100011215311_100016990835 [0,1,0,0,0,1|2,0,0]=4 2177 B12R0.211 C=CC(C)(C)OCCC[N+](C)(C)C 7a_100011215311_100016990835 [0,1,0,0,0,1|2,0,0]=4 2178 B12R0.211 C=CC(C)(C)OCCC[Si](C)(C)C 34a_100011215311_100011219597 [0,1,0,0,0,1|1,1,0]=4 2179 B12R0.211 C=CC(C)(C)OCCC[Si](C)(C)C 7a_100011215311_100011219597 [0,1,0,0,0,1|1,1,0]=4 2180 B12R0.211 C=CC(F)(F)SCCCC(C)(C)O 62a_100009814244_100009888830 [0,1,0,0,0,1|1,0,0]=3 2181 B12R0.211 C=CC(F)(F)SCCCC(C)(C)O 62a_100009888830_100009814244 [0,1,0,0,0,1|1,0,0]=3 2182 B12R0.211 C=C[Si](C)(C)CNCCC(C)(C)C 2230a_100000738805_100000038793 [0,1,0,0,0,1|1,1,0]=4 2183 B12R0.211 C=C[Si](C)(C)CNCCC(C)(C)F 2230a_100016253952_100000038793 [0,1,0,0,0,1|1,1,0]=4 2184 B12R0.211 C=C[Si](C)(C)CSCCC(C)(C)C 62a_100000038793_100000755188 [0,1,0,0,0,1|1,1,0]=4 2185 B12R0.211 C=C[Si](C)(C)CSCCC(C)(C)C 62a_100000755188_100000038793 [0,1,0,0,0,1|1,1,0]=4 2186 B12R0.211 C=C[Si](C)(C)CSCCC(C)(C)O 62a_100000038793_100000702414 [0,1,0,0,0,1|0,1,0]=3 2187 B12R0.211 C=C[Si](C)(C)CSCCC(C)(C)O 62a_100000702414_100000038793 [0,1,0,0,0,1|0,1,0]=3 2188 B12R0.211 CC(C)(O)CCCNC(C)(C)CO 2230a_100000210608_100009888830 [0,1,0,0,0,1|1,0,1]=4 2189 B12R0.211 CC(C)(O)CCCOC(C)(C)C#N 34a_200015195151_100009888830 [0,1,0,0,0,1|1,0,1]=4 2190 B12R0.211 CC(C)(O)CCCOC(C)(C)CCl 7a_100000764493_100009888830 [0,1,0,0,0,1|1,0,1]=4 2191 B12R0.211 CC(C)(O)CCCSC(C)(C)C#N 62a_100009888830_100011162410 [0,1,0,0,0,1|1,0,1]=4 2192 B12R0.211 CC(C)(O)CCCSC(C)(C)C#N 62a_100011162410_100009888830 [0,1,0,0,0,1|1,0,1]=4 2193 B12R0.211 CC(C)(O)CCNCC(C)(C)CO 2230a_100020635058_100000702414 [0,1,0,0,0,1|1,0,1]=4 2194 B12R0.211 CC(C)(O)CCOCC(C)(C)CCl 7a_100011217199_100000702414 [0,1,0,0,0,1|1,0,1]=4 2195 B12R0.211 CC(C)(O)CCSCC(C)(C)CO 62a_100000702414_100009813988 [0,1,0,0,0,1|1,0,1]=4 2196 B12R0.211 CC(C)(O)CCSCC(C)(C)CO 62a_100009813988_100000702414 [0,1,0,0,0,1|1,0,1]=4 2197 B12R0.211 CCC(C)(C)COCCC(C)(C)O 7a_100000765029_100000702414 [0,1,0,0,0,1|0,0,2]=4 2198 B12R0.211 CCC(C)(C)NCCCC(C)(C)O 2230a_100000211385_100009888830 [0,1,0,0,0,1|0,0,2]=4 2199 B12R0.211 CCC(C)(C)OCCCC(C)(C)O 7a_100000210230_100009888830 [0,1,0,0,0,1|0,0,2]=4 2200 B12R0.211 CCC(C)(C)SCCCC(C)(C)O 62a_100000032637_100009888830 [0,1,0,0,0,1|0,0,2]=4 2201 B12R0.211 CCC(C)(C)SCCCC(C)(C)O 62a_100009888830_100000032637 [0,1,0,0,0,1|0,0,2]=4 2202 B12R0.211 COC(C)(C)CCOCC(C)(C)O 7a_100000699976_100000764493 [0,1,0,0,0,1|1,0,1]=4 2203 B12R0.211 COC(C)(C)CNCCC(C)(C)O 2230a_100000763424_100000702414 [0,1,0,0,0,1|1,0,1]=4 2204 B12R0.211 COC(C)(C)CSCCC(C)(C)O 62a_100000701081_100000702414 [0,1,0,0,0,1|1,0,1]=4 2205 B12R0.211 COC(C)(C)CSCCC(C)(C)O 62a_100000702414_100000701081 [0,1,0,0,0,1|1,0,1]=4 2206 B12R0.211 CSC(C)(C)CNCCC(C)(C)O 270004a_100000707701_100009845794 [0,1,0,0,0,1|1,0,1]=4 2207 B12R0.264 C=C(C)C(C)NCCOC(C)(C)C 269862a_100000747557_100011216138 [0,1,0,0,0,1|2,0,0]=4 2208 B12R0.264 C=C(C)C(C)NCCSC(C)(C)C 269862a_100000689375_100011216138 [0,1,0,0,0,1|2,0,0]=4 2209 B12R0.264 CC(=O)C(C)COCCC(C)(C)C 34a_100000032740_100000755188 [0,1,0,0,0,1|1,0,1]=4 2210 B12R0.264 CC(=O)C(C)COCCC(C)(C)C 7a_100000032740_100000755188 [0,1,0,0,0,1|1,0,1]=4 2211 B12R0.264 CC(=O)C(C)COCCC(C)(C)O 34a_100000032740_100000702414 [0,1,0,0,0,1|0,0,1]=3 2212 B12R0.264 CC(=O)C(C)COCCC(C)(C)O 7a_100000032740_100000702414 [0,1,0,0,0,1|0,0,1]=3 2213 B12R0.264 CC(=O)C(C)OCCCC(C)(C)O 34a_100000212229_100009888830 [0,1,0,0,0,1|0,0,1]=3 2214 B12R0.264 CC(=O)C(C)SCCCC(C)(C)O 62a_100009814033_100009888830 [0,1,0,0,0,1|0,0,1]=3 2215 B12R0.264 CC(=O)C(C)SCCCC(C)(C)O 62a_100009888830_100009814033 [0,1,0,0,0,1|0,0,1]=3 2216 B12R0.264 CC(C)(O)CCCSC(F)C(=O)N 62a_100009813875_100009888830 [0,1,0,0,0,1|2,0,0]=4 2217 B12R0.264 CC(C)(O)CCCSC(F)C(=O)N 62a_100009888830_100009813875 [0,1,0,0,0,1|2,0,0]=4 2218 B12R0.264 CC(C)(O)CCCSC(F)C(=O)[O-] 62a_100009888830_100020610796 [0,1,0,0,0,1|2,0,0]=4 2219 B12R0.264 CC(C)(O)CCCSC(F)C(=O)[O-] 62a_100020610796_100009888830 [0,1,0,0,0,1|2,0,0]=4 2220 B12R0.264 CC(C)(O)CCNCC(F)C(=O)O 269956a_100000084737_100000702414 [0,1,0,0,0,1|2,0,0]=4 2221 B12R0.264 CC(C)(O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000702414 [0,1,0,0,0,1|2,0,0]=4 2222 B12R0.264 CC(C)C(C)NCCCC(C)(C)O 2230a_100000211541_100009888830 [0,1,0,0,0,1|0,0,2]=4 2223 B12R0.264 CC(C)C(C)OCCCC(C)(C)O 7a_100000748068_100009888830 [0,1,0,0,0,1|0,0,2]=4 2224 B12R0.264 CC(CNCCC(C)(C)C)C(=O)O 269956a_100000749485_100000755188 [0,1,0,0,0,1|2,0,0]=4 2225 B12R0.264 CC(CNCCC(C)(C)O)C(=O)O 269956a_100000749485_100000702414 [0,1,0,0,0,1|1,0,0]=3 2226 B12R0.264 CC(COCCC(C)(C)O)[N+](=O)[O-] 34a_100000039676_100000702414 [0,1,0,0,0,1|2,0,0]=4 2227 B12R0.264 CC(COCCC(C)(C)O)[N+](=O)[O-] 7a_100000039676_100000702414 [0,1,0,0,0,1|2,0,0]=4 2228 B12R0.264 CC(SCCCC(C)(C)O)C(=O)N 62a_100000702099_100009888830 [0,1,0,0,0,1|1,0,0]=3 2229 B12R0.264 CC(SCCCC(C)(C)O)C(=O)N 62a_100009888830_100000702099 [0,1,0,0,0,1|1,0,0]=3 2230 B12R0.264 C[C@@H](NCCCC(C)(C)O)C(=O)N 2230a_100000119354_100009888830 [0,1,0,0,0,1|1,0,0]=3 2231 B12R0.264 C[C@@H](NCCCC(C)(C)O)C(=O)N 34a_100000119354_100009888830 [0,1,0,0,0,1|1,0,0]=3 2232 B12R0.264 C[C@@H](OCCCC(C)(C)O)C(=O)N 34a_100000731257_100009888830 [0,1,0,0,0,1|1,0,0]=3 2233 B12R0.264 C[C@@H](OCCCC(C)(C)O)C(=O)N 7a_100000731257_100009888830 [0,1,0,0,0,1|1,0,0]=3 2234 B12R0.264 C[C@H](NCCCC(C)(C)O)C(=O)O 269956a_100000743915_100009888830 [0,1,0,0,0,1|1,0,0]=3 2235 B12R0.264 C[C@H](OCCCC(C)(C)O)C(=O)[O-] 7a_217856618621_100009888830 [0,1,0,0,0,1|1,0,0]=3 2236 B12R0.320 C=CC(C)COCC(=O)C(C)(C)C 34a_100011215527_100000229897 [0,1,0,0,0,1|1,0,1]=4 2237 B12R0.320 C=CC(C)COCC(=O)C(C)(C)C 7a_100011215527_100000210923 [0,1,0,0,0,1|1,0,1]=4 2238 B12R0.320 CC(CO)CCNC(C)C(C)(C)O 269862a_106354213184_100000747739 [0,1,0,0,0,1|1,0,1]=4 2239 B12R0.320 CCC(C)CCNC(C)C(C)(C)O 269862a_100020591266_100000747739 [0,1,0,0,0,1|0,0,2]=4 2240 B12R0.320 CCC(C)CNC[C@@H](F)C(C)(C)O 270004a_100015379105_100000243153 [0,1,0,0,0,1|0,0,2]=4 2241 B12R0.484 C=CC(C)CC(=O)CCC(C)(C)C 1458a_100011934298_100000755188 [0,1,0,0,0,1|1,0,0]=3 2242 B12R0.484 C=CC(C)CC(=O)CC[N+](C)(C)C 1458a_100011934298_100000085578 [0,1,0,0,0,1|2,0,0]=4 2243 B12R0.484 C=CC(C)CC(=O)CC[Si](C)(C)C 1458a_100011934298_200000733723 [0,1,0,0,0,1|1,1,0]=4 2244 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)C 11a_100000743828_100011934298 [0,1,0,0,0,1|1,0,1]=4 2245 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)C 1626a_100000743828_100011934298 [0,1,0,0,0,1|1,0,1]=4 2246 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)C 240690a_100000743828_100011934298 [0,1,0,0,0,1|1,0,1]=4 2247 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)C 527a_100000743828_100011934298 [0,1,0,0,0,1|1,0,1]=4 2248 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)F 11a_100020643315_100011934298 [0,1,0,0,0,1|1,0,1]=4 2249 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)F 1626a_100020643315_100011934298 [0,1,0,0,0,1|1,0,1]=4 2250 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)F 240690a_100020643315_100011934298 [0,1,0,0,0,1|1,0,1]=4 2251 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)F 527a_100020643315_100011934298 [0,1,0,0,0,1|1,0,1]=4 2252 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)O 1626a_100000751335_100011934298 [0,1,0,0,0,1|0,0,1]=3 2253 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)O 240690a_100000751335_100011934298 [0,1,0,0,0,1|0,0,1]=3 2254 B12R0.484 C=CC(C)CC(=O)NCC(C)(C)O 527a_100000751335_100011934298 [0,1,0,0,0,1|0,0,1]=3 2255 B12R0.484 CCC(C)CC(C)NCC(C)(C)O 270004a_100000751335_100011710205 [0,1,0,0,0,1|0,0,2]=4 2256 B12R0.484 CCC(C)CN(C)CCC(C)(C)O 2230a_100000753921_100000702414 [0,1,0,0,0,1|0,0,2]=4 2257 B12R0.577 C#CC(CC)OCCCC(C)(C)O 34a_100000758843_100009888830 [0,1,0,0,0,1|0,0,2]=4 2258 B12R0.577 C#CC(CC)OCCCC(C)(C)O 7a_100000758843_100009888830 [0,1,0,0,0,1|0,0,2]=4 2259 B12R0.577 C=CC(C=C)OCCCC(C)(C)O 34a_100000033096_100009888830 [0,1,0,0,0,1|0,0,1]=3 2260 B12R0.577 C=CC(CC)OCCCC(C)(C)O 34a_100000766422_100009888830 [0,1,0,0,0,1|0,0,0]=2 2261 B12R0.577 C=CC(CC)OCCCC(C)(C)O 7a_100000766422_100009888830 [0,1,0,0,0,1|0,0,0]=2 2262 B12R0.577 C=CC(CC)OCCC[N+](C)(C)C 34a_100000766422_100016990835 [0,1,0,0,0,1|2,0,0]=4 2263 B12R0.577 C=CC(CC)OCCC[N+](C)(C)C 7a_100000766422_100016990835 [0,1,0,0,0,1|2,0,0]=4 2264 B12R0.577 C=CC(CC)OCCC[Si](C)(C)C 34a_100000766422_100011219597 [0,1,0,0,0,1|1,1,0]=4 2265 B12R0.577 C=CC(CC)OCCC[Si](C)(C)C 7a_100000766422_100011219597 [0,1,0,0,0,1|1,1,0]=4 2266 B12R0.577 C=C[C@@H](CO)NCCCC(C)(C)O 2230a_100016989147_100009888830 [0,1,0,0,0,1|0,0,0]=2 2267 B12R0.577 C=C[C@@H](CO)NCCCC(C)(C)O 34a_100016989147_100009888830 [0,1,0,0,0,1|0,0,0]=2 2268 B12R0.577 C=C[C@@H](CO)NCCC[N+](C)(C)C 2230a_100016989147_100016990835 [0,1,0,0,0,1|2,0,0]=4 2269 B12R0.577 C=C[C@@H](CO)NCCC[N+](C)(C)C 34a_100016989147_100016990835 [0,1,0,0,0,1|2,0,0]=4 2270 B12R0.577 C=C[C@@H](CO)NCCC[Si](C)(C)C 2230a_100016989147_100011219597 [0,1,0,0,0,1|1,1,0]=4 2271 B12R0.577 C=C[C@@H](CO)NCCC[Si](C)(C)C 34a_100016989147_100011219597 [0,1,0,0,0,1|1,1,0]=4 2272 B12R0.577 CC(C)(O)CCCNC(CO)CO 2230a_100000759517_100009888830 [0,1,0,0,0,1|1,0,1]=4 2273 B12R0.577 CC(C)(O)CCCOC(CCl)CCl 7a_100000737055_100009888830 [0,1,0,0,0,1|1,0,1]=4 2274 B12R0.577 CC(C)(O)CCCOC(CF)CF 34a_100000032261_100009888830 [0,1,0,0,0,1|1,0,1]=4 2275 B12R0.577 CC(C)(O)CCCOC(CF)CF 7a_100000032261_100009888830 [0,1,0,0,0,1|1,0,1]=4 2276 B12R0.577 CC(C)(O)CCCOC(CN)CN 34a_100000031598_100009888830 [0,1,0,0,0,1|1,0,1]=4 2277 B12R0.577 CC(C)(O)CCCO[C@@H](CF)CCl 34a_100015614560_100009888830 [0,1,0,0,0,1|1,0,1]=4 2278 B12R0.577 CC(C)(O)CCCO[C@@H](CF)CCl 7a_100015614560_100009888830 [0,1,0,0,0,1|1,0,1]=4 2279 B12R0.577 CC(C)(O)CCCSC(C=O)C=O 62a_100000736813_100009888830 [0,1,0,0,0,1|1,0,1]=4 2280 B12R0.577 CC(C)(O)CCCSC(C=O)C=O 62a_100009888830_100000736813 [0,1,0,0,0,1|1,0,1]=4 2281 B12R0.577 CCC(CC)CNCCC(C)(C)O 2230a_100102946423_100000702414 [0,1,0,0,0,1|0,0,2]=4 2282 B12R0.577 CCC(CC)CNCCC(C)(C)O 269862a_100000707701_100000211137 [0,1,0,0,0,1|0,0,2]=4 2283 B12R0.577 CCC(CC)CNCCC(C)(C)O 270004a_100000707701_100000211137 [0,1,0,0,0,1|0,0,2]=4 2284 B12R0.577 CCC(CC)COCCC(C)(C)O 7a_100000703878_100000702414 [0,1,0,0,0,1|0,0,2]=4 2285 B12R0.577 CCC(CC)CSCCC(C)(C)O 62a_100000702414_100011215472 [0,1,0,0,0,1|0,0,2]=4 2286 B12R0.577 CCC(CC)CSCCC(C)(C)O 62a_100011215472_100000702414 [0,1,0,0,0,1|0,0,2]=4 2287 B12R0.577 CCC(CC)NCCCC(C)(C)O 2230a_100000199018_100009888830 [0,1,0,0,0,1|0,0,2]=4 2288 B12R0.577 CCC(CC)OCCCC(C)(C)O 7a_100000688536_100009888830 [0,1,0,0,0,1|0,0,2]=4 2289 B12R0.577 CCC(CC)SCCCC(C)(C)O 62a_100000210505_100009888830 [0,1,0,0,0,1|0,0,2]=4 2290 B12R0.577 CCC(CC)SCCCC(C)(C)O 62a_100009888830_100000210505 [0,1,0,0,0,1|0,0,2]=4 2291 B12R0.577 CCC(COCCC(C)(C)O)OC 34a_100011934954_100000702414 [0,1,0,0,0,1|0,0,2]=4 2292 B12R0.577 CCC(COCCC(C)(C)O)OC 7a_100011934954_100000702414 [0,1,0,0,0,1|0,0,2]=4 2293 B12R0.577 CC[C@@H](CO)NCCCC(C)(C)O 2230a_100000709445_100009888830 [0,1,0,0,0,1|0,0,2]=4 2294 B12R0.577 COC(CCNCC(C)(C)O)OC 2230a_100000751335_100009813347 [0,1,0,0,0,1|1,0,1]=4 2295 B12R0.577 COC(CCSCC(C)(C)O)OC 62a_100000139399_100000764493 [0,1,0,0,0,1|1,0,1]=4 2296 B12R0.577 COC(CCSCC(C)(C)O)OC 62a_100000764493_100000139399 [0,1,0,0,0,1|1,0,1]=4 2297 B12R0.577 COC(CNCCC(C)(C)O)OC 270004a_100000707701_100000752162 [0,1,0,0,0,1|1,0,1]=4 2298 B12R0.577 COC(COCCC(C)(C)O)OC 34a_100011216393_100000702414 [0,1,0,0,0,1|1,0,1]=4 2299 B12R0.577 COC(CSCCC(C)(C)O)OC 62a_100000702414_100000751394 [0,1,0,0,0,1|1,0,1]=4 2300 B12R0.577 COC(CSCCC(C)(C)O)OC 62a_100000751394_100000702414 [0,1,0,0,0,1|1,0,1]=4 2301 B12R0.230 C=CC(CCC)OCCC(C)(C)C 34a_100011216692_100000755188 [0,2,0,0,0,0|2,0,0]=4 2302 B12R0.230 C=CC(CCC)OCCC(C)(C)C 7a_100011216692_100000755188 [0,2,0,0,0,0|2,0,0]=4 2303 B12R0.230 C=CC(CCC)OCCC(C)(C)O 34a_100011216692_100000702414 [0,2,0,0,0,0|1,0,0]=3 2304 B12R0.230 C=CC(CCC)OCCC(C)(C)O 7a_100011216692_100000702414 [0,2,0,0,0,0|1,0,0]=3 2305 B12R0.230 C=CCC(C=C)OCCC(C)(C)C 34a_100000038011_100000755188 [0,2,0,0,0,0|2,0,0]=4 2306 B12R0.230 C=CCC(C=C)OCCC(C)(C)C 7a_100000038011_100000755188 [0,2,0,0,0,0|2,0,0]=4 2307 B12R0.230 C=CCC(C=C)OCCC(C)(C)O 34a_100000038011_100000702414 [0,2,0,0,0,0|1,0,0]=3 2308 B12R0.230 C=CCC(C=C)OCCC(C)(C)O 7a_100000038011_100000702414 [0,2,0,0,0,0|1,0,0]=3 2309 B12R0.230 C=CC[C@H](CO)NCCC(C)(C)C 2230a_100020615467_100000755188 [0,2,0,0,0,0|2,0,0]=4 2310 B12R0.230 C=CC[C@H](CO)NCCC(C)(C)O 2230a_100020615467_100000702414 [0,2,0,0,0,0|1,0,0]=3 2311 B12R0.582 C=C[C@@H](CO)NC(=O)CC(C)(C)O 527a_100016989147_100000693243 [0,2,0,0,0,0|1,0,1]=4 2312 B12R0.586 C=CC(OCCC(C)(C)C)C(C)C 34a_100000732651_100000755188 [0,2,0,0,0,0|2,0,0]=4 2313 B12R0.586 C=CC(OCCC(C)(C)C)C(C)C 7a_100000732651_100000755188 [0,2,0,0,0,0|2,0,0]=4 2314 B12R0.586 C=CC(OCCC(C)(C)O)C(C)C 34a_100000732651_100000702414 [0,2,0,0,0,0|1,0,0]=3 2315 B12R0.586 C=CC(OCCC(C)(C)O)C(C)C 7a_100000732651_100000702414 [0,2,0,0,0,0|1,0,0]=3 2316 B12R0.586 C=C[C@H](NCCC(C)(C)O)C(=O)O 269956a_100016992060_100000702414 [0,2,0,0,0,0|1,0,1]=4 2317 B12R0.586 CC(C)(O)CCNC(CO)C(=O)O 269956a_100000187304_100000702414 [0,2,0,0,0,0|2,0,0]=4 2318 B12R0.586 CC(C)(O)CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000702414 [0,2,0,0,0,0|2,0,0]=4 2319 B12R0.586 CC(C)(O)CCN[C@@H](CO)C(=O)N 34a_100000729942_100000702414 [0,2,0,0,0,0|2,0,0]=4 2320 B12R0.586 CCC(NCCC(C)(C)O)C(=O)N 2230a_100000733705_100000702414 [0,2,0,0,0,0|2,0,0]=4 2321 B12R0.586 CCC(NCCC(C)(C)O)C(=O)N 34a_100000733705_100000702414 [0,2,0,0,0,0|2,0,0]=4 2322 B12R0.586 CCC(SCCC(C)(C)O)C(=O)N 62a_100000702414_100000750255 [0,2,0,0,0,0|2,0,0]=4 2323 B12R0.586 CCC(SCCC(C)(C)O)C(=O)N 62a_100000750255_100000702414 [0,2,0,0,0,0|2,0,0]=4 2324 B12R0.586 CC[C@@H](NCCC(C)(C)O)C(=O)O 269956a_100000747097_100000702414 [0,2,0,0,0,0|2,0,0]=4 2325 B12R0.778 C#CC(C)(C=C)OCCC(C)(C)C 34a_100000033310_100000755188 [0,2,0,0,0,0|2,0,0]=4 2326 B12R0.778 C#CC(C)(C=C)OCCC(C)(C)C 7a_100000033310_100000755188 [0,2,0,0,0,0|2,0,0]=4 2327 B12R0.778 C#CC(C)(C=C)OCCC(C)(C)O 34a_100000033310_100000702414 [0,2,0,0,0,0|1,0,0]=3 2328 B12R0.778 C#CC(C)(C=C)OCCC(C)(C)O 7a_100000033310_100000702414 [0,2,0,0,0,0|1,0,0]=3 2329 B12R0.83 C=CC(C)C(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100011216780 [0,2,0,0,0,0|1,0,1]=4 2330 B12R0.83 C=CC(C)C(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100011216780 [0,2,0,0,0,0|1,0,1]=4 2331 B12R0.83 C=CC(C)C(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100011216780 [0,2,0,0,0,0|1,0,1]=4 2332 B12R0.83 C=CC(C)C(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100011216780 [0,2,0,0,0,0|1,0,1]=4 2333 B12R0.261 C=C(C)C(C)NC[C@@H](F)C(C)(C)O 269862a_100015379105_100011216138 [0,2,0,0,0,0|1,0,0]=3 2334 B12R0.593 C=C[Si](C)(C)CN[C@@H](C)C(C)(C)O 2230a_100025708725_100000038793 [0,2,0,0,0,0|1,1,0]=4 2335 B12R0.105 C=CC(C)C(=O)N(C)CC(C)(C)O 1626a_100000755907_100011216780 [0,2,0,0,0,0|1,0,1]=4 2336 B12R0.105 C=CC(C)C(=O)N(C)CC(C)(C)O 240690a_100000755907_100011216780 [0,2,0,0,0,0|1,0,1]=4 2337 B12R0.105 C=CC(C)C(=O)N(C)CC(C)(C)O 527a_100000755907_100011216780 [0,2,0,0,0,0|1,0,1]=4 2338 B12R0.214 C=C[Si](C)(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000038793 [0,2,0,0,0,0|0,1,1]=4 2339 B12R0.214 C=C[Si](C)(C)CN(C)CC(C)(C)O 2230a_100000755907_100000038793 [0,2,0,0,0,0|1,1,0]=4 2340 B12R0.340 C=C(C)C(C)N[C@@H](C)CC(C)(C)C 269862a_106358413534_100011216138 [0,2,0,0,0,0|2,0,0]=4 2341 B12R0.463 C=CC(O)CN(CC)CC(C)(C)O 2230a_100000755687_100000730141 [0,2,0,0,0,0|2,0,0]=4 2342 B12R0.619 C=CC(C)CC(=O)NC(C)(C)CO 240690a_100000210608_100011934298 [0,2,0,0,0,0|1,0,1]=4 2343 B12R0.619 C=CC(C)CC(=O)NC(C)(C)CO 527a_100020618417_100011934298 [0,2,0,0,0,0|1,0,1]=4 2344 B12R0.619 C=CC(O)CN(C)CC(C)(C)CO 2230a_100000732702_100000730141 [0,2,0,0,0,0|2,0,0]=4 2345 B12R0.177 C=CCC(C)(C)OCCC(C)(C)C 7a_100011995686_100000755188 [0,2,0,0,0,0|2,0,0]=4 2346 B12R0.177 C=CCC(C)(C)OCCC(C)(C)O 7a_100011995686_100000702414 [0,2,0,0,0,0|1,0,0]=3 2347 B12R0.177 C=CC[Si](C)(C)CNCC(C)(C)O 2230a_100000751335_100000046978 [0,2,0,0,0,0|1,1,0]=4 2348 B12R0.177 C=CC[Si](C)(C)CSCC(C)(C)O 62a_100000046978_100000764493 [0,2,0,0,0,0|1,1,0]=4 2349 B12R0.177 C=CC[Si](C)(C)CSCC(C)(C)O 62a_100000764493_100000046978 [0,2,0,0,0,0|1,1,0]=4 2350 B12R0.311 CC(=O)C(C)(C)OCCC(C)(C)O 34a_100000747739_100000702414 [0,2,0,0,0,0|1,0,1]=4 2351 B12R0.311 CC(=O)C(C)(C)OCCC(C)(C)O 7a_100000747739_100000702414 [0,2,0,0,0,0|1,0,1]=4 2352 B12R0.311 CC(=O)C(C)(C)SCCC(C)(C)O 62a_100000075568_100000702414 [0,2,0,0,0,0|1,0,1]=4 2353 B12R0.311 CC(=O)C(C)(C)SCCC(C)(C)O 62a_100000702414_100000075568 [0,2,0,0,0,0|1,0,1]=4 2354 B12R0.311 CC(C)(O)CCNC(C)(C)C(=O)N 2230a_100000743658_100000702414 [0,2,0,0,0,0|2,0,0]=4 2355 B12R0.311 CC(C)(O)CCNC(C)(C)C(=O)N 34a_100000743658_100000702414 [0,2,0,0,0,0|2,0,0]=4 2356 B12R0.311 CC(C)(O)CCOC(C)(C)C(=O)N 34a_100011626353_100000702414 [0,2,0,0,0,0|2,0,0]=4 2357 B12R0.311 CC(C)(O)CCOC(C)(C)C(=O)N 7a_100011626353_100000702414 [0,2,0,0,0,0|2,0,0]=4 2358 B12R0.311 CC(C)(O)CCSC(C)(C)C(=O)N 62a_100000702414_100000702505 [0,2,0,0,0,0|2,0,0]=4 2359 B12R0.311 CC(C)(O)CCSC(C)(C)C(=O)N 62a_100000702505_100000702414 [0,2,0,0,0,0|2,0,0]=4 2360 B12R0.311 CC(C)(O)CNCC(C)(C)C(=O)N 34a_100000740840_100000764493 [0,2,0,0,0,0|2,0,0]=4 2361 B12R0.311 CC(C)(O)CNCC(C)(C)C(=O)O 269956a_100000693527_100000764493 [0,2,0,0,0,0|2,0,0]=4 2362 B12R0.311 CC(C)(O)CSCC(C)(C)C(=O)N 62a_100000764493_200009895572 [0,2,0,0,0,0|2,0,0]=4 2363 B12R0.311 CC(C)(O)CSCC(C)(C)C(=O)N 62a_200009895572_100000764493 [0,2,0,0,0,0|2,0,0]=4 2364 B12R0.520 C=C[Si](C)(C)CNCC(C)(C)CO 2230a_100020635058_100000038793 [0,2,0,0,0,0|1,1,0]=4 2365 B12R0.520 C=C[Si](C)(C)CNCC(C)(C)OC 2230a_100000763424_100000038793 [0,2,0,0,0,0|1,1,0]=4 2366 B12R0.520 C=C[Si](C)(C)CSCC(C)(C)CO 62a_100000038793_100009813988 [0,2,0,0,0,0|1,1,0]=4 2367 B12R0.520 C=C[Si](C)(C)CSCC(C)(C)CO 62a_100009813988_100000038793 [0,2,0,0,0,0|1,1,0]=4 2368 B12R0.520 C=C[Si](C)(C)CSCC(C)(C)OC 62a_100000038793_100000701081 [0,2,0,0,0,0|1,1,0]=4 2369 B12R0.520 C=C[Si](C)(C)CSCC(C)(C)OC 62a_100000701081_100000038793 [0,2,0,0,0,0|1,1,0]=4 2370 B12R0.772 C=CC(C)(C)C(=O)CCC(C)(C)C 1458a_100012027013_100000755188 [0,2,0,0,0,0|1,0,1]=4 2371 B12R0.772 C=CC(C)(C)C(=O)NCC(C)(C)O 1626a_100000751335_100012027013 [0,2,0,0,0,0|1,0,1]=4 2372 B12R0.772 C=CC(C)(C)C(=O)NCC(C)(C)O 240690a_100000751335_100012027013 [0,2,0,0,0,0|1,0,1]=4 2373 B12R0.772 C=CC(C)(C)C(=O)NCC(C)(C)O 527a_100000751335_100012027013 [0,2,0,0,0,0|1,0,1]=4 2374 B12R0.66 C=C(C)CN(C)CCCC(C)(C)O 2230a_100000225649_100009888830 [0,2,0,0,0,0|1,0,0]=3 2375 B12R0.66 C=C(C)CN(C)CCCC(C)(C)O 269982a_100000225649_100009888830 [0,2,0,0,0,0|1,0,0]=3 2376 B12R0.66 CC(=CC(C)OCCC(C)(C)C)C 34a_100000717055_100000755188 [0,2,0,0,0,0|2,0,0]=4 2377 B12R0.66 CC(=CC(C)OCCC(C)(C)O)C 34a_100000717055_100000702414 [0,2,0,0,0,0|1,0,0]=3 2378 B12R0.66 CC(=O)OC(C)SCCC(C)(C)O 62a_100000702414_100009818208 [0,2,0,0,0,0|1,0,1]=4 2379 B12R0.66 CC(=O)OC(C)SCCC(C)(C)O 62a_100009818208_100000702414 [0,2,0,0,0,0|1,0,1]=4 2380 B12R0.66 CN(CCCC(C)(C)O)CC(=O)N 2230a_100000739694_100009888830 [0,2,0,0,0,0|1,0,1]=4 2381 B12R0.66 CN(CCCC(C)(C)O)CC(=O)O 269956a_100000746989_100009888830 [0,2,0,0,0,0|1,0,1]=4 2382 B12R0.104 C=CCCC(C)NCCC(C)(C)C 270004a_100000738805_100000762624 [0,2,0,0,0,0|2,0,0]=4 2383 B12R0.104 C=CCCC(C)NCCC(C)(C)F 270004a_100016253952_100000762624 [0,2,0,0,0,0|2,0,0]=4 2384 B12R0.104 C=CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000762624 [0,2,0,0,0,0|1,0,0]=3 2385 B12R0.104 C=CCCC(C)OCCC(C)(C)C 34a_100000765329_100000755188 [0,2,0,0,0,0|2,0,0]=4 2386 B12R0.104 C=CCCC(C)OCCC(C)(C)C 7a_100000765329_100000755188 [0,2,0,0,0,0|2,0,0]=4 2387 B12R0.104 C=CCCC(C)OCCC(C)(C)O 34a_100000765329_100000702414 [0,2,0,0,0,0|1,0,0]=3 2388 B12R0.104 C=CCCC(C)OCCC(C)(C)O 7a_100000765329_100000702414 [0,2,0,0,0,0|1,0,0]=3 2389 B12R0.104 C=CCCN(C)CCCC(C)(C)O 2230a_100020639649_100009888830 [0,2,0,0,0,0|1,0,0]=3 2390 B12R0.104 C=CCCN(C)CCCC(C)(C)O 269982a_100020639649_100009888830 [0,2,0,0,0,0|1,0,0]=3 2391 B12R0.178 C=CCC(C)C(=O)CCC(C)(C)C 1458a_100011216819_100000755188 [0,2,0,0,0,0|1,0,1]=4 2392 B12R0.178 C=CCC(C)C(=O)NCC(C)(C)O 1626a_100000751335_100011216819 [0,2,0,0,0,0|1,0,1]=4 2393 B12R0.178 C=CCC(C)C(=O)NCC(C)(C)O 240690a_100000751335_100011216819 [0,2,0,0,0,0|1,0,1]=4 2394 B12R0.178 C=CCC(C)C(=O)NCC(C)(C)O 527a_100000751335_100011216819 [0,2,0,0,0,0|1,0,1]=4 2395 B12R0.573 C=CCC(C)COCC(C)(C)CO 34a_100009832082_100009813988 [0,2,0,0,0,0|1,0,0]=3 2396 B12R0.573 C=CCC(C)COCC(C)(C)CO 7a_100009832082_100009813988 [0,2,0,0,0,0|1,0,0]=3 2397 B12R0.573 C=CCC(C)COCC(C)(C)OC 34a_100009832082_100000701081 [0,2,0,0,0,0|1,0,0]=3 2398 B12R0.573 C=CCN(C)CCCC(C)(C)C#N 2230a_100000225617_100000759902 [0,2,0,0,0,0|2,0,0]=4 2399 B12R0.573 C=CCN(C)CCCC(C)(C)C#N 269982a_100000225617_100000759902 [0,2,0,0,0,0|2,0,0]=4 2400 B12R0.573 C=CC[C@@H](N)COCC(C)(C)CO 34a_100020615467_100009813988 [0,2,0,0,0,0|2,0,0]=4 2401 B12R0.573 C=CC[C@@H](N)COCC(C)(C)OC 34a_100020615467_100000701081 [0,2,0,0,0,0|2,0,0]=4 2402 B12R0.629 C=CC(C)C(=O)NCC(C)(C)CO 240690a_100020635058_100011216780 [0,2,0,0,0,0|1,0,1]=4 2403 B12R0.629 C=CC(C)C(=O)NCC(C)(C)CO 527a_100020635058_100011216780 [0,2,0,0,0,0|1,0,1]=4 2404 B12R0.629 C=CC(C)C(=O)NCC(C)(C)OC 11a_100000763424_100011216780 [0,2,0,0,0,0|1,0,1]=4 2405 B12R0.629 C=CC(C)C(=O)NCC(C)(C)OC 1626a_100000763424_100011216780 [0,2,0,0,0,0|1,0,1]=4 2406 B12R0.629 C=CC(C)C(=O)NCC(C)(C)OC 240690a_100000763424_100011216780 [0,2,0,0,0,0|1,0,1]=4 2407 B12R0.629 C=CC(C)C(=O)NCC(C)(C)OC 527a_100000763424_100011216780 [0,2,0,0,0,0|1,0,1]=4 2408 B12R0.629 C=C[C@@H](C)[C@@H](C)OCC(C)(C)CO 34a_100015455354_100009813988 [0,2,0,0,0,0|1,0,0]=3 2409 B12R0.629 C=C[C@@H](C)[C@@H](C)OCC(C)(C)CO 7a_100015455354_100009813988 [0,2,0,0,0,0|1,0,0]=3 2410 B12R0.629 C=C[C@@H](C)[C@@H](C)OCC(C)(C)OC 34a_100015455354_100000701081 [0,2,0,0,0,0|1,0,0]=3 2411 B12R0.947 CC(C(=O)O)N(C)CCC(C)(C)O 269956a_100000749554_100000702414 [0,2,0,0,0,0|2,0,0]=4 2412 B12R0.209 CC(=O)C(C)COCC(C)(C)CO 34a_100000032740_100009813988 [0,2,0,0,0,0|1,0,1]=4 2413 B12R0.209 CC(=O)C(C)COCC(C)(C)CO 7a_100000032740_100009813988 [0,2,0,0,0,0|1,0,1]=4 2414 B12R0.209 CC(CNCC(C)(C)CO)C(=O)O 269956a_100000749485_100009813988 [0,2,0,0,0,0|2,0,0]=4 2415 B12R0.209 COC(C)(C)CCOC(C)C(=O)C 7a_100000699976_100000179758 [0,2,0,0,0,0|1,0,1]=4 2416 B12R0.209 COC(C)(C)CCOC(C)C(=O)N 7a_100000699976_100000702099 [0,2,0,0,0,0|2,0,0]=4 2417 B12R0.209 COC(C)(C)CNCC(C)C(=O)O 269956a_100000749485_100000701081 [0,2,0,0,0,0|2,0,0]=4 2418 B12R0.209 COC(C)(C)COCC(C)C(=O)C 34a_100000032740_100000701081 [0,2,0,0,0,0|1,0,1]=4 2419 B12R0.176 C=CC(C)CCCC(C)(C)OCC 7a_100000032255_100000210202 [0,2,0,0,0,0|0,0,0]=2 2420 B12R0.176 C=CC(C)CCCC(C)(C)OCF 7a_100000032255_100015361967 [0,2,0,0,0,0|0,0,0]=2 2421 B12R0.176 C=CC(C)COC[N+](C)(C)CCO 7a_100011215527_200010270792 [0,2,0,0,0,0|2,0,0]=4 2422 B12R0.176 C=CC(O)CNCC(C)(C)COC 2230a_100000734190_100000730141 [0,2,0,0,0,0|2,0,0]=4 2423 B12R0.468 C=CC(C)COCC(C)(OC)OC 34a_100011215527_100000766008 [0,2,0,0,0,0|1,0,0]=3 2424 B12R0.468 C=CC(O)CNCC(C)(OC)OC 2230a_100000732740_100000730141 [0,2,0,0,0,0|2,0,0]=4 2425 B12R0.468 C=CC(O)CSCC(C)(OC)OC 62a_100000730141_100000766008 [0,2,0,0,0,0|2,0,0]=4 2426 B12R0.468 C=CC(O)CSCC(C)(OC)OC 62a_100000766008_100000730141 [0,2,0,0,0,0|2,0,0]=4 2427 B12R0.468 C=C[C@H](N)COCC(C)(OC)OC 34a_100016989147_100000766008 [0,2,0,0,0,0|2,0,0]=4 2428 B12R0.632 C=CC(C)COCC(C)(C)C(=O)N 34a_100011215527_200009895572 [0,2,0,0,0,0|1,0,1]=4 2429 B12R0.632 C=CC(O)CNCC(C)(C)C(=O)O 269956a_100000693527_100000730141 [0,2,0,0,0,0|2,0,0]=4 2430 B10R1.14 C=CC(C)N1CCC(C1)O 269982a_100011215560_100011215867 [1,0,0,1,0,0|1,0,0]=3 2431 B10R1.14 C=CC(C)N1CC[C@@H](C1)F 269982a_100015203821_100011215867 [1,0,0,1,0,0|2,0,0]=4 2432 B10R1.14 C=CC(C)N1CC[C@H](C1)C 269982a_100016987628_100011215867 [1,0,0,1,0,0|1,0,0]=3 2433 B10R1.150 C=CC(O)CN1CC(C1)C 2230a_100000702820_100000730141 [1,0,0,1,0,0|2,0,0]=4 2434 B10R1.150 C=CC(O)CN1CC(C1)C 34a_100000702820_100000730141 [1,0,0,1,0,0|2,0,0]=4 2435 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [1,0,0,1,0,0|1,0,1]=4 2436 B10R1.153 C=CC(C)COCC1CC1 34a_100011215527_100000742324 [1,0,0,1,0,0|1,0,0]=3 2437 B10R1.153 C=CC(C)COCC1CC1 7a_100011215527_100000742324 [1,0,0,1,0,0|1,0,0]=3 2438 B10R1.153 C=CC(C)COCC1CO1 34a_100011215527_102125554688 [1,0,0,1,0,0|1,0,0]=3 2439 B10R1.153 C=CC(C)COCC1CO1 7a_100011215527_102125554688 [1,0,0,1,0,0|1,0,0]=3 2440 B10R1.153 C=CC(C)COCC1CS1 7a_100011215527_100000031435 [1,0,0,1,0,0|1,1,0]=4 2441 B10R1.153 C=CC(C)COC[C@@H]1CO1 7a_100011215527_100000745022 [1,0,0,1,0,0|1,0,0]=3 2442 B10R1.153 C=CC(C)OCCC1CC1 34a_100000695699_100000694398 [1,0,0,1,0,0|1,0,0]=3 2443 B10R1.153 C=CC(C)OCCC1CO1 34a_100000695699_100000732470 [1,0,0,1,0,0|1,0,0]=3 2444 B10R1.153 C=CC(C)SCCC1CC1 62a_100011215867_100000764125 [1,0,0,1,0,0|1,0,0]=3 2445 B10R1.153 C=CC(C)SCCC1CO1 62a_100011215867_100000732470 [1,0,0,1,0,0|1,0,0]=3 2446 B10R1.153 C=CC(O)CNCC1CC1 2230a_100000735609_100000730141 [1,0,0,1,0,0|2,0,0]=4 2447 B10R1.153 C=CC(O)CNCC1CC1 34a_100000735609_100000730141 [1,0,0,1,0,0|2,0,0]=4 2448 B10R1.153 C=CC(O)COCC1CC1 34a_100000211283_100000730141 [1,0,0,1,0,0|2,0,0]=4 2449 B10R1.153 C=CC(O)COC[C@@H]1CO1 34a_100000757423_100000730141 [1,0,0,1,0,0|2,0,0]=4 2450 B10R1.153 C=CC(O)CSCC1CC1 62a_100000730141_100000742324 [1,0,0,1,0,0|2,0,0]=4 2451 B10R1.153 C=CC(O)CSCC1CC1 62a_100000756562_100000730141 [1,0,0,1,0,0|2,0,0]=4 2452 B10R1.153 C=CC(O)CSCC1CO1 62a_100000730141_102125554688 [1,0,0,1,0,0|2,0,0]=4 2453 B10R1.153 C=CC(O)CSCC1CO1 62a_102125554688_100000730141 [1,0,0,1,0,0|2,0,0]=4 2454 B10R1.153 C=CC(O)CSC[C@@H]1CO1 62a_100000730141_100000745022 [1,0,0,1,0,0|2,0,0]=4 2455 B10R1.153 C=CC(O)CSC[C@@H]1CO1 62a_100000745022_100000730141 [1,0,0,1,0,0|2,0,0]=4 2456 B10R1.153 C=C[C@H](N)COCC1CC1 34a_100016989147_100000742324 [1,0,0,1,0,0|2,0,0]=4 2457 B10R1.153 C=C[C@H](N)COCC1CO1 34a_100016989147_102125554688 [1,0,0,1,0,0|2,0,0]=4 2458 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [1,0,0,1,0,0|1,0,1]=4 2459 B10R1.171 CNC1CCCC(C1)(C)C 270004a_106832991635_100000031663 [1,0,0,1,0,0|1,0,1]=4 2460 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [1,0,0,1,0,0|1,0,1]=4 2461 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 2230a_100020587339_200025704644 [1,0,0,1,0,0|1,0,1]=4 2462 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 269982a_100020587339_200025704644 [1,0,0,1,0,0|1,0,1]=4 2463 B10R1.65 CC(C)(O)[C@H]1CCCN1[13CH3] 34a_100020587339_200025704644 [1,0,0,1,0,0|1,0,1]=4 2464 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 2230a_100020587339_200000210301 [1,0,0,1,0,0|1,0,1]=4 2465 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 269982a_100020587339_200000210301 [1,0,0,1,0,0|1,0,1]=4 2466 B10R1.65 CN1CCC[C@@H]1C(C)(C)O 34a_100020587339_200000210301 [1,0,0,1,0,0|1,0,1]=4 2467 B10R1.70 C=CCCCNC1(CC1)C 2230a_100000757604_100011713584 [1,0,0,1,0,0|2,0,0]=4 2468 B10R1.70 C=CCCCOC1(CC1)C 7a_100011725673_100000757094 [1,0,0,1,0,0|2,0,0]=4 2469 B10R1.70 C=CCCNCC1(CC1)C 2230a_100000766693_100000754431 [1,0,0,1,0,0|2,0,0]=4 2470 B10R1.70 C=CCCNCC1(CC1)O 2230a_100011936951_100000754431 [1,0,0,1,0,0|1,0,0]=3 2471 B10R1.70 C=CCCOCC1(CC1)C 7a_100000698024_100000754431 [1,0,0,1,0,0|2,0,0]=4 2472 B10R1.70 C=CCCOCC1(CC1)F 34a_200000703853_100000754431 [1,0,0,1,0,0|2,0,0]=4 2473 B10R1.70 C=CCCOCC1(CC1)F 7a_200000703853_100000754431 [1,0,0,1,0,0|2,0,0]=4 2474 B10R1.70 C=CCCOCC1(CO1)C 34a_100011205117_100000760498 [1,0,0,1,0,0|1,0,0]=3 2475 B10R1.70 C=CCCSCC1(CO1)C 62a_100000754431_100000760498 [1,0,0,1,0,0|1,0,0]=3 2476 B10R1.70 C=CCCSCC1(CO1)C 62a_100000760498_100000754431 [1,0,0,1,0,0|1,0,0]=3 2477 B10R1.95 C=CCN1CCC(C1)(C)C 2230a_100000764714_100000210623 [1,0,0,1,0,0|2,0,0]=4 2478 B10R1.95 C=CCN1CCC(C1)(C)C 269982a_100000764714_100000210623 [1,0,0,1,0,0|2,0,0]=4 2479 B10R1.95 C=CCN1CCC(C1)(C)O 2230a_100000718628_100000210623 [1,0,0,1,0,0|1,0,0]=3 2480 B10R1.95 C=CCN1CCC(C1)(C)O 269982a_100000718628_100000210623 [1,0,0,1,0,0|1,0,0]=3 2481 B10R1.95 CC1(CCN(C1)CC=O)O 2230a_100000718628_200015260668 [1,0,0,1,0,0|2,0,0]=4 2482 B10R1.95 CC1(CCN(C1)CC=O)O 269982a_100000718628_200015260668 [1,0,0,1,0,0|2,0,0]=4 2483 B10R1.218 C=CCCN1CC(C1)(C)C 2230a_100000753659_100000754431 [1,0,0,1,0,0|2,0,0]=4 2484 B10R1.218 C=CCCN1CC(C1)(C)C 269982a_100000753659_100000754431 [1,0,0,1,0,0|2,0,0]=4 2485 B10R1.218 C=CCCN1CC(C1)(C)F 2230a_100000696199_100000754431 [1,0,0,1,0,0|2,0,0]=4 2486 B10R1.218 C=CCCN1CC(C1)(C)F 269982a_100000696199_100000754431 [1,0,0,1,0,0|2,0,0]=4 2487 B10R1.218 C=CCCN1CC(C1)(C)O 2230a_100000718560_100000754431 [1,0,0,1,0,0|1,0,0]=3 2488 B10R1.218 C=CCCN1CC(C1)(C)O 269982a_100000718560_100000754431 [1,0,0,1,0,0|1,0,0]=3 2489 B10R1.218 C=CCN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210623 [1,0,0,1,0,0|1,0,0]=3 2490 B10R1.218 C[C@@]1(C[C@H](C1)NCC=O)O 2230a_100121572536_200015260668 [1,0,0,1,0,0|2,0,0]=4 2491 B10R1.375 C=CCOCC1CC1(C)C 34a_100000728257_100015514636 [1,0,0,1,0,0|2,0,0]=4 2492 B10R1.375 C=CCOCC1CC1(C)C 7a_100000728257_100015514636 [1,0,0,1,0,0|2,0,0]=4 2493 B10R1.375 C=CCOCC1OC1(C)C 34a_200010283642_100015514636 [1,0,0,1,0,0|1,0,0]=3 2494 B10R1.375 C=CCOCC1OC1(C)C 7a_200010283642_100015514636 [1,0,0,1,0,0|1,0,0]=3 2495 B10R1.375 CC1(OC1COCC=O)C 34a_200010283642_200009817547 [1,0,0,1,0,0|2,0,0]=4 2496 B10R1.375 CC1(OC1COCC=O)C 7a_200010283642_200015260668 [1,0,0,1,0,0|2,0,0]=4 2497 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 2230a_100132313854_200025704644 [1,0,0,1,0,0|1,0,1]=4 2498 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 269982a_100132313854_200025704644 [1,0,0,1,0,0|1,0,1]=4 2499 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 34a_100132313854_200025704644 [1,0,0,1,0,0|1,0,1]=4 2500 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_200000210301 [1,0,0,1,0,0|1,0,1]=4 2501 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_200000210301 [1,0,0,1,0,0|1,0,1]=4 2502 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 34a_100132313854_200000210301 [1,0,0,1,0,0|1,0,1]=4 2503 B10R1.112 CC(C)(O)CN1CC(C1)F 34a_100000690557_100000764493 [1,0,0,1,0,0|2,0,0]=4 2504 B10R1.112 CC1CN(C1)CC(C)(C)O 34a_100000702820_100000764493 [1,0,0,1,0,0|1,0,1]=4 2505 B10R1.352 CC(C)OCC1OC1(C)C 34a_200010283642_100000210206 [1,0,0,1,0,0|1,0,1]=4 2506 B10R1.352 CC(C)OCC1OC1(C)C 7a_200010283642_100000210206 [1,0,0,1,0,0|1,0,1]=4 2507 B10R1.359 CC(C)N1CCC(C1)(C)O 2230a_100000718628_100000210206 [1,0,0,1,0,0|1,0,1]=4 2508 B10R1.359 CC(C)N1CCC(C1)(C)O 269982a_100000718628_100000210206 [1,0,0,1,0,0|1,0,1]=4 2509 B10R1.371 C=C(C)CN1CC(C1)(C)O 2230a_100000718560_100000748629 [1,0,0,1,0,0|1,0,1]=4 2510 B10R1.371 C=C(C)CN1CC(C1)(C)O 269982a_100000718560_100000748629 [1,0,0,1,0,0|1,0,1]=4 2511 B10R1.371 CC(C)CN1CC(C1)(C)O 2230a_100000718560_100000210760 [1,0,0,1,0,0|1,0,1]=4 2512 B10R1.371 CC(C)CN1CC(C1)(C)O 269982a_100000718560_100000210624 [1,0,0,1,0,0|1,0,1]=4 2513 B10R1.371 CC(C)CN1CC(C1)(C)O 270004a_100000718560_100000210432 [1,0,0,1,0,0|1,0,1]=4 2514 B10R1.371 CC(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210206 [1,0,0,1,0,0|1,0,1]=4 2515 B10R1.371 CC(O)CN1CC(C1)(C)O 2230a_100000718560_100011218427 [1,0,0,1,0,0|2,0,0]=4 2516 B10R1.371 CC(O)CN1CC(C1)(C)O 269982a_100000718560_100011218427 [1,0,0,1,0,0|2,0,0]=4 2517 B10R1.371 C[C@@H](O)CN1CC(C1)(C)O 2230a_100000718560_100009817552 [1,0,0,1,0,0|2,0,0]=4 2518 B10R1.371 C[C@@H](O)CN1CC(C1)(C)O 269982a_100000718560_100009817552 [1,0,0,1,0,0|2,0,0]=4 2519 B10R1.26 CNC1CCC(CC1)(C)O 270004a_106832991635_100012184276 [0,0,0,1,1,0|1,0,1]=4 2520 B10R1.26 CN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_200000210301 [0,0,0,1,1,0|1,0,1]=4 2521 B10R1.26 CN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_200000210301 [0,0,0,1,1,0|1,0,1]=4 2522 B10R1.26 C[C@@]1(CC[C@@H](CC1)N[13CH3])O 2230a_202125554758_200025704644 [0,0,0,1,1,0|1,0,1]=4 2523 B10R1.26 C[C@@]1(CC[C@@H](CC1)N[13CH3])O 34a_202125554758_200025704644 [0,0,0,1,1,0|1,0,1]=4 2524 B10R1.152 C=CC(C)OCC1(CO1)C 34a_100000695699_100000760498 [0,0,0,1,1,0|1,0,0]=3 2525 B10R1.152 C=CC(C)SCC1(CO1)C 62a_100011215867_100000760498 [0,0,0,1,1,0|1,0,0]=3 2526 B10R1.413 C=CC(C)N1CC(C1)(C)C 269982a_100000753659_100011215867 [0,0,0,1,1,0|2,0,0]=4 2527 B10R1.413 C=CC(C)N1CC(C1)(C)F 269982a_100000696199_100011215867 [0,0,0,1,1,0|2,0,0]=4 2528 B10R1.413 C=CC(C)N1CC(C1)(C)O 269982a_100000718560_100011215867 [0,0,0,1,1,0|1,0,0]=3 2529 B12R1.60 CC(C)(O)CN1CCC(C1)CO 34a_100000748654_100000764493 [0,0,0,1,0,1|1,0,1]=4 2530 B12R1.106 CC1=CCN(CC1)CC(C)(C)O 34a_100000693516_100000764493 [0,0,0,1,0,1|0,0,2]=4 2531 B12R1.106 CC1CCN(CC1)CC(C)(C)O 34a_100000188429_100000764493 [0,0,0,1,0,1|0,0,2]=4 2532 B12R1.146 CC(C)(O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009888830 [0,0,0,1,0,1|1,0,1]=4 2533 B12R1.146 CC(C)(O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009888830 [0,0,0,1,0,1|1,0,1]=4 2534 B12R1.146 CC(C)(O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100009888830 [0,0,0,1,0,1|1,0,1]=4 2535 B12R1.146 CC1CC1COCCC(C)(C)O 34a_100000744939_100000702414 [0,0,0,1,0,1|0,0,2]=4 2536 B12R1.146 CC1CC1COCCC(C)(C)O 7a_100000744939_100000702414 [0,0,0,1,0,1|0,0,2]=4 2537 B12R1.207 CC1CCN1CCCC(C)(C)O 269982a_100000755817_100009888830 [0,0,0,1,0,1|0,0,2]=4 2538 B12R1.207 CC1CCN1CCCC(C)(C)O 34a_100000755817_100009888830 [0,0,0,1,0,1|0,0,2]=4 2539 B12R1.546 CC(C)(O)CCCNC1CCC1 2230a_100000749019_100009888830 [0,0,0,1,0,1|0,0,2]=4 2540 B12R1.546 CC(C)(O)CCCNC1CCC1 34a_100000749019_100009888830 [0,0,0,1,0,1|0,0,2]=4 2541 B12R1.546 CC(C)(O)CCCNC1COC1 2230a_100016991112_100009888830 [0,0,0,1,0,1|1,0,1]=4 2542 B12R1.546 CC(C)(O)CCCOC1CCC1 34a_100000748187_100009888830 [0,0,0,1,0,1|0,0,2]=4 2543 B12R1.546 CC(C)(O)CCCOC1CSC1 7a_100000072292_100009888830 [0,0,0,1,0,1|1,0,1]=4 2544 B12R1.546 CC(C)(O)CCCSC1CCC1 62a_100009888830_100000749161 [0,0,0,1,0,1|0,0,2]=4 2545 B12R1.546 CC(C)(O)CCCSC1COC1 62a_100009888830_100009818527 [0,0,0,1,0,1|1,0,1]=4 2546 B12R1.546 CC(C)(O)CCNCC1CCC1 2230a_100000738700_100000702414 [0,0,0,1,0,1|0,0,2]=4 2547 B12R1.546 CC(C)(O)CCNCC1CCC1 269862a_100000707701_100000753134 [0,0,0,1,0,1|0,0,2]=4 2548 B12R1.546 CC(C)(O)CCNCC1CCC1 34a_100000738700_100000702414 [0,0,0,1,0,1|0,0,2]=4 2549 B12R1.546 CC(C)(O)CCNCC1COC1 2230a_100015281925_100000702414 [0,0,0,1,0,1|1,0,1]=4 2550 B12R1.546 CC(C)(O)CCNCC1COC1 34a_100015281925_100000702414 [0,0,0,1,0,1|1,0,1]=4 2551 B12R1.546 CC(C)(O)CCNC[C@@H]1CCO1 2230a_100020831831_100000702414 [0,0,0,1,0,1|1,0,1]=4 2552 B12R1.546 CC(C)(O)CCNC[C@@H]1CCO1 34a_100020831831_100000702414 [0,0,0,1,0,1|1,0,1]=4 2553 B12R1.546 CC(C)(O)CCOCC1CCC1 34a_100000760304_100000702414 [0,0,0,1,0,1|0,0,2]=4 2554 B12R1.546 CC(C)(O)CCOCC1CCO1 34a_100000039022_100000702414 [0,0,0,1,0,1|1,0,1]=4 2555 B12R1.546 CC(C)(O)CCOCC1CNC1 34a_100016987283_100000702414 [0,0,0,1,0,1|1,0,1]=4 2556 B12R1.546 CC(C)(O)CCOCC1COC1 34a_100000060846_100000702414 [0,0,0,1,0,1|1,0,1]=4 2557 B12R1.546 CC(C)(O)CCSCC1CCC1 62a_100000702414_100000763275 [0,0,0,1,0,1|0,0,2]=4 2558 B12R1.546 CC(C)(O)CCSCC1CCC1 62a_100000763275_100000702414 [0,0,0,1,0,1|0,0,2]=4 2559 B12R1.546 CC(C)(O)CCSCC1CCO1 62a_100000103362_100000702414 [0,0,0,1,0,1|1,0,1]=4 2560 B12R1.546 CC(C)(O)CCSCC1CCO1 62a_100000702414_100000103362 [0,0,0,1,0,1|1,0,1]=4 2561 B12R1.546 CC(C)(O)CCSCC1COC1 62a_100000702414_100010264016 [0,0,0,1,0,1|1,0,1]=4 2562 B12R1.546 CC(C)(O)CCSCC1COC1 62a_100010264016_100000702414 [0,0,0,1,0,1|1,0,1]=4 2563 B12R1.546 CC(C)(O)COCCC1COC1 34a_100009855314_100000764493 [0,0,0,1,0,1|1,0,1]=4 2564 B12R1.836 CC(C)(C)OC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210625 [0,0,0,1,0,1|2,0,0]=4 2565 B12R1.836 CC1CCC(C1)NCC(C)(C)O 270004a_100000751335_100011215218 [0,0,0,1,0,1|0,0,2]=4 2566 B12R1.836 CC1CCC(C1)OCC(C)(C)O 34a_100000698185_100000764493 [0,0,0,1,0,1|0,0,2]=4 2567 B12R1.836 C[C@@H]1CCN(C1)CCC(C)(C)O 2230a_100016987628_100000702414 [0,0,0,1,0,1|0,0,2]=4 2568 B12R1.836 C[C@@H]1CCN(C1)CCC(C)(C)O 34a_100016987628_100000702414 [0,0,0,1,0,1|0,0,2]=4 2569 B12R1.1673 C=CC(=O)CC1COC(O1)(C)C 1458a_100000185746_100000198056 [0,0,0,1,0,1|1,0,1]=4 2570 B12R1.1673 C=CC(=O)C[C@H]1COC(O1)(C)C 1458a_100000185746_100015422573 [0,0,0,1,0,1|1,0,1]=4 2571 B12R1.1673 C=CC(O)CN1CCC(C1)(C)C 2230a_100000764714_100000730141 [0,0,0,1,0,1|2,0,0]=4 2572 B12R1.1673 C=CC(O)CN1CCC(C1)(C)O 2230a_100000718628_100000730141 [0,0,0,1,0,1|1,0,0]=3 2573 B12R1.1673 CCC(C)CN1CCC(C1)(C)O 2230a_100000718628_100000748023 [0,0,0,1,0,1|0,0,2]=4 2574 B12R1.1673 CCC(C)CN1CCC(C1)(C)O 269982a_100000718628_100000748023 [0,0,0,1,0,1|0,0,2]=4 2575 B12R1.1673 CCC(C)CN1CCC(C1)(C)O 270004a_100000718628_100000243153 [0,0,0,1,0,1|0,0,2]=4 2576 B12R1.1673 CC[C@H](C)CN1CCC(C1)(C)O 2230a_100000718628_100009816398 [0,0,0,1,0,1|0,0,2]=4 2577 B12R1.1673 CC[C@H](C)CN1CCC(C1)(C)O 269982a_100000718628_100009816398 [0,0,0,1,0,1|0,0,2]=4 2578 B12R1.1673 C[C@@H](CO)CN1CCC(C1)(C)O 2230a_100000718628_100000059175 [0,0,0,1,0,1|1,0,1]=4 2579 B12R1.1673 C[C@@H](CO)CN1CCC(C1)(C)O 269982a_100000718628_100000059175 [0,0,0,1,0,1|1,0,1]=4 2580 B12R1.1679 C=CC(=O)NC[C@H]1C[C@@](C1)(C)O 240690a_100015257651_200121576911 [0,0,0,1,0,1|1,0,1]=4 2581 B12R1.1679 C=CC(C)COC1CC(C1)(F)F 34a_100011215527_100010741680 [0,0,0,1,0,1|2,0,0]=4 2582 B12R1.1679 C=CC(C)COC1CC(C1)(F)F 7a_100011215527_100010741680 [0,0,0,1,0,1|2,0,0]=4 2583 B12R1.1679 C=CC(C)OCC1CC(C1)(F)F 34a_100000695699_100009886855 [0,0,0,1,0,1|2,0,0]=4 2584 B12R1.1679 C=CC(C)SCC1CC(C1)(F)F 62a_100011215867_100009886855 [0,0,0,1,0,1|2,0,0]=4 2585 B12R1.1679 C=CC(O)CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000730141 [0,0,0,1,0,1|1,0,0]=3 2586 B12R1.1679 CC(C#N)NC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000184139 [0,0,0,1,0,1|1,0,1]=4 2587 B12R1.1679 CC(CO)NC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100012180447 [0,0,0,1,0,1|1,0,1]=4 2588 B12R1.1679 CCC(C)CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000748023 [0,0,0,1,0,1|0,0,2]=4 2589 B12R1.1679 CCC(C)CN[C@H]1C[C@@](C1)(C)O 270004a_100121572536_100000243153 [0,0,0,1,0,1|0,0,2]=4 2590 B12R1.1679 CCC(C)NC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000758301 [0,0,0,1,0,1|0,0,2]=4 2591 B12R1.1679 CC[C@H](C)CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100009816398 [0,0,0,1,0,1|0,0,2]=4 2592 B12R1.1679 C[C@@H](CO)CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000059175 [0,0,0,1,0,1|1,0,1]=4 2593 B12R1.1686 CC(CO)CCNCC1(CO1)C 34a_106354213184_100000760498 [0,0,0,1,0,1|1,0,1]=4 2594 B12R1.1707 C=CC(=O)N1CCCC(C1)(C)O 240690a_100000695535_200121576911 [0,0,0,1,0,1|1,0,1]=4 2595 B12R1.1707 C=CC(C)N1CCCC(C1)(C)C 269982a_100000716857_100011215867 [0,0,0,1,0,1|1,0,0]=3 2596 B12R1.1707 C=CC(C)N1CCCC(C1)(C)O 269982a_100000695535_100011215867 [0,0,0,1,0,1|0,0,0]=2 2597 B12R1.1707 C=CC(C)N1CCCC(C1)(F)F 269982a_100000732682_100011215867 [0,0,0,1,0,1|2,0,0]=4 2598 B12R1.1707 C=CC(C)N1CCOC(C1)(C)C 269982a_100000738910_100011215867 [0,0,0,1,0,1|2,0,0]=4 2599 B12R1.1707 CC(C#N)N1CCCC(C1)(C)O 2230a_100000695535_100000184139 [0,0,0,1,0,1|1,0,1]=4 2600 B12R1.1707 CC(C#N)N1CCCC(C1)(C)O 269982a_100000695535_100000703298 [0,0,0,1,0,1|1,0,1]=4 2601 B12R1.1707 CC(CO)N1CCCC(C1)(C)O 2230a_100000695535_100012180447 [0,0,0,1,0,1|1,0,1]=4 2602 B12R1.1707 CCC(C)N1CCCC(C1)(C)O 2230a_100000695535_100000758301 [0,0,0,1,0,1|0,0,2]=4 2603 B12R1.1707 CCC(C)N1CCCC(C1)(C)O 269982a_100000695535_100000758301 [0,0,0,1,0,1|0,0,2]=4 2604 B12R1.1707 COC(C)N1CCCC(C1)(C)O 269982a_100000695535_100009879195 [0,0,0,1,0,1|1,0,1]=4 2605 B12R1.1707 C[C@H](CO)N1CCCC(C1)(C)O 269982a_100000695535_100016084084 [0,0,0,1,0,1|1,0,1]=4 2606 B12R1.1848 C=CC(C)COCC1CC1(F)F 34a_100011215527_100009817841 [0,0,0,1,0,1|2,0,0]=4 2607 B12R1.1848 C=CC(C)COCC1CC1(F)F 7a_100011215527_100009817841 [0,0,0,1,0,1|2,0,0]=4 2608 B12R1.1848 C=CC(O)COCC1CC1(C)C 34a_100000728257_100000730141 [0,0,0,1,0,1|2,0,0]=4 2609 B12R1.1848 C=CC(O)COCC1CC1(C)C 7a_100000728257_100000730141 [0,0,0,1,0,1|2,0,0]=4 2610 B12R1.1848 C=CC(O)COCC1OC1(C)C 34a_200010283642_100000730141 [0,0,0,1,0,1|1,0,0]=3 2611 B12R1.1848 C=CC(O)COCC1OC1(C)C 7a_200010283642_100000730141 [0,0,0,1,0,1|1,0,0]=3 2612 B12R1.1848 CCC(C)COCC1OC1(C)C 34a_200010283642_100000748023 [0,0,0,1,0,1|0,0,2]=4 2613 B12R1.1848 CCC(C)COCC1OC1(C)C 7a_200010283642_100000748023 [0,0,0,1,0,1|0,0,2]=4 2614 B12R1.1848 CC[C@H](C)COCC1OC1(C)C 34a_200010283642_100009816398 [0,0,0,1,0,1|0,0,2]=4 2615 B12R1.1848 CC[C@H](C)COCC1OC1(C)C 7a_200010283642_100009816398 [0,0,0,1,0,1|0,0,2]=4 2616 B12R1.1848 C[C@@H](CO)COCC1OC1(C)C 34a_200010283642_100000059175 [0,0,0,1,0,1|1,0,1]=4 2617 B12R1.1848 C[C@@H](CO)COCC1OC1(C)C 7a_200010283642_100000059175 [0,0,0,1,0,1|1,0,1]=4 2618 B12R1.1955 CC(C)(O)CCN1CC(C1)CF 34a_100010363649_100000702414 [0,0,0,1,0,1|1,0,1]=4 2619 B12R1.1955 CC(C)(O)CCN1CC(C1)CO 34a_100016987283_100000702414 [0,0,0,1,0,1|1,0,1]=4 2620 B12R1.1955 CC(C)(O)CNC1CC(C1)C#N 270004a_100000751335_100000077199 [0,0,0,1,0,1|1,0,1]=4 2621 B12R1.1955 CC(C)(O)CNC1CC(C1)CO 270004a_100000751335_100000101936 [0,0,0,1,0,1|1,0,1]=4 2622 B12R1.1955 CC(C)(O)CSC1CC(C1)CO 62a_100000764493_100009874164 [0,0,0,1,0,1|1,0,1]=4 2623 B12R1.1955 CC(C)(O)CSC1CC(C1)CO 62a_100009874164_100000764493 [0,0,0,1,0,1|1,0,1]=4 2624 B12R1.1955 CCC1CN(C1)CCC(C)(C)O 2230a_100015205115_100000702414 [0,0,0,1,0,1|0,0,2]=4 2625 B12R1.2815 CC(C)(O)CCCNC1(CC1)C 2230a_100000757604_100009888830 [0,0,0,1,0,1|0,0,2]=4 2626 B12R1.2815 CC(C)(O)CCCOC1(CC1)C 7a_100011725673_100009888830 [0,0,0,1,0,1|0,0,2]=4 2627 B12R1.2815 CC(C)(O)CCNCC1(CC1)C 2230a_100000766693_100000702414 [0,0,0,1,0,1|0,0,2]=4 2628 B12R1.2815 CC(C)(O)CCOCC1(CC1)C 7a_100000698024_100000702414 [0,0,0,1,0,1|0,0,2]=4 2629 B12R1.2815 CC(C)(O)CCSCC1(CO1)C 62a_100000702414_100000760498 [0,0,0,1,0,1|1,0,1]=4 2630 B12R1.2815 CC(C)(O)CCSCC1(CO1)C 62a_100000760498_100000702414 [0,0,0,1,0,1|1,0,1]=4 2631 B12R1.2815 CC(C)(O)COCCC1(N=N1)C 34a_100009880064_100000764493 [0,0,0,1,0,1|2,0,0]=4 2632 B12R1.6 CC(C)(O)[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100015421777_200025704644 [0,1,0,1,0,0|0,0,2]=4 2633 B12R1.6 CC(C)(O)[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100015421777_200025704644 [0,1,0,1,0,0|0,0,2]=4 2634 B12R1.6 CN[C@H]1CC[C@@H](CC1)C(C)(C)O 2230a_100015421777_200000210301 [0,1,0,1,0,0|0,0,2]=4 2635 B12R1.6 CN[C@H]1CC[C@@H](CC1)C(C)(C)O 34a_100015421777_200000210301 [0,1,0,1,0,0|0,0,2]=4 2636 B12R1.890 CC(C)(C)CCNC1CC=CC1 2230a_100015188752_100000755188 [0,1,0,1,0,0|2,0,0]=4 2637 B12R1.890 CC(C)(C)COCC1CC=CC1 34a_100000688395_100011219605 [0,1,0,1,0,0|2,0,0]=4 2638 B12R1.890 CC(C)(F)COCC1CC=CC1 34a_100000688395_100011997219 [0,1,0,1,0,0|2,0,0]=4 2639 B12R1.890 CC(C)(O)CCCN1CC=CC1 269982a_100015195280_100009888830 [0,1,0,1,0,0|1,0,0]=3 2640 B12R1.890 CC(C)(O)CCNC1CC=CC1 2230a_100015188752_100000702414 [0,1,0,1,0,0|1,0,0]=3 2641 B12R1.890 CC(C)(O)COCC1CC=CC1 34a_100000688395_100000764493 [0,1,0,1,0,0|1,0,0]=3 2642 B12R1.1661 C=CC(C)N1CC(C1)C(C)(C)O 269982a_100000708124_100011215867 [0,1,0,1,0,0|1,0,0]=3 2643 B12R1.1705 C=CC(C)CC(=O)CC1(CO1)C 1458a_100011934298_100000760498 [0,1,0,1,0,0|0,0,1]=3 2644 B12R1.1169 C=C[Si](C)(C)CNCC1(CC1)O 2230a_100011936951_100000038793 [0,1,0,1,0,0|1,1,0]=4 2645 B12R1.1169 C=C[Si](C)(C)CSCC1(CO1)C 62a_100000038793_100000760498 [0,1,0,1,0,0|1,1,0]=4 2646 B12R1.1169 C=C[Si](C)(C)CSCC1(CO1)C 62a_100000760498_100000038793 [0,1,0,1,0,0|1,1,0]=4 2647 B12R1.1184 C=CC(F)(F)N1CCC(C1)(C)O 269982a_100000718628_100009814244 [0,1,0,1,0,0|2,0,0]=4 2648 B12R1.1207 C=C[Si](C)(C)CN1CC(C1)(C)O 2230a_100000718560_100000038793 [0,1,0,1,0,0|1,1,0]=4 2649 B12R1.180 C=CCN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_100000210623 [0,1,0,1,0,0|1,0,0]=3 2650 B12R1.180 C=CCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000210623 [0,1,0,1,0,0|1,0,0]=3 2651 B12R1.180 C=CCN1CC[C@H](C1)C(C)(C)O 34a_100132313854_100015514636 [0,1,0,1,0,0|1,0,0]=3 2652 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC=O 2230a_100132313854_200015260668 [0,1,0,1,0,0|1,0,1]=4 2653 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC=O 269982a_100132313854_200015260668 [0,1,0,1,0,0|1,0,1]=4 2654 B12R1.180 CC(C)(O)[C@@H]1CCN(C1)CC=O 34a_100132313854_200009817547 [0,1,0,1,0,0|1,0,1]=4 2655 B12R1.219 C=C1CC(C1)CNCC(C)(C)C 270004a_100102567296_100011204126 [0,1,0,1,0,0|2,0,0]=4 2656 B12R1.219 C=C1CC(C1)CNCC(C)(C)C 34a_100102567296_100011219605 [0,1,0,1,0,0|2,0,0]=4 2657 B12R1.219 C=C1CC(C1)CNCC(C)(C)F 34a_100102567296_100011997219 [0,1,0,1,0,0|2,0,0]=4 2658 B12R1.219 C=C1CC(C1)CNCC(C)(C)O 34a_100102567296_100000764493 [0,1,0,1,0,0|1,0,0]=3 2659 B12R1.219 C=C1CC(C1)COCC(C)(C)C 34a_100011011225_100011219605 [0,1,0,1,0,0|2,0,0]=4 2660 B12R1.219 C=C1CC(C1)COCC(C)(C)F 34a_100011011225_100011997219 [0,1,0,1,0,0|2,0,0]=4 2661 B12R1.219 C=C1CC(C1)COCC(C)(C)O 34a_100011011225_100000764493 [0,1,0,1,0,0|1,0,0]=3 2662 B12R1.219 C=C1CC(C1)NCCC(C)(C)C 2230a_100132301982_100000755188 [0,1,0,1,0,0|2,0,0]=4 2663 B12R1.219 C=C1CC(C1)NCCC(C)(C)O 2230a_100132301982_100000702414 [0,1,0,1,0,0|1,0,0]=3 2664 B12R1.219 CC(C)(O)CCSC1CC(=O)C1 62a_100009894365_100000702414 [0,1,0,1,0,0|1,0,1]=4 2665 B12R1.219 CC(C)(O)CNCC1CC(=O)C1 2230a_100000751335_100009874392 [0,1,0,1,0,0|1,0,1]=4 2666 B12R1.219 CC(C)(O)COCC1CC(=O)C1 34a_100000101936_100000764493 [0,1,0,1,0,0|1,0,1]=4 2667 B12R1.219 CC(C)(O)CSCC1CC(=O)C1 62a_100000764493_100009874392 [0,1,0,1,0,0|1,0,1]=4 2668 B12R1.219 CC(C)(O)CSCC1CC(=O)C1 62a_100009874392_100000764493 [0,1,0,1,0,0|1,0,1]=4 2669 B12R1.1142 C=CCN1CCCC(CC1)(C)O 2230a_100000723723_100000210623 [0,1,0,1,0,0|1,0,0]=3 2670 B12R1.1142 C=CCN1CCCC(CC1)(C)O 269982a_100000723723_100000210623 [0,1,0,1,0,0|1,0,0]=3 2671 B12R1.1142 C=CCN1CCCC(CC1)(C)O 34a_100000723723_100015514636 [0,1,0,1,0,0|1,0,0]=3 2672 B12R1.1142 CC1(CCCN(CC1)CC=O)O 2230a_100000723723_200015260668 [0,1,0,1,0,0|1,0,1]=4 2673 B12R1.1142 CC1(CCCN(CC1)CC=O)O 269982a_100000723723_200015260668 [0,1,0,1,0,0|1,0,1]=4 2674 B12R1.1142 CC1(CCCN(CC1)CC=O)O 34a_100000723723_200009817547 [0,1,0,1,0,0|1,0,1]=4 2675 B12R1.1527 C=CCC(C)COCC1(CO1)C 34a_100009832082_100000760498 [0,1,0,1,0,0|1,0,0]=3 2676 B12R1.1527 C=CC[C@@H](N)COCC1(CO1)C 34a_100020615467_100000760498 [0,1,0,1,0,0|2,0,0]=4 2677 B12R1.1580 C=CCN(C)C1CCC(C1)(C)C 270004a_100000225617_100000759959 [0,1,0,1,0,0|2,0,0]=4 2678 B12R1.1704 C=CC(C)N1CCC(CC1)(C)C 269982a_100000750138_100011215867 [0,1,0,1,0,0|2,0,0]=4 2679 B12R1.1704 C=CC(C)N1CCC(CC1)(C)O 269982a_100000690209_100011215867 [0,1,0,1,0,0|1,0,0]=3 2680 B12R1.1704 C=CC(C)N1CCC(CC1)(O)O 269982a_100016987284_100011215867 [0,1,0,1,0,0|2,0,0]=4 2681 B12R1.1753 C=CC(C)C(=O)NCC1(CC1)O 11a_100011936951_100011216780 [0,1,0,1,0,0|1,0,1]=4 2682 B12R1.1753 C=CC(C)C(=O)NCC1(CC1)O 240690a_100011936951_100011216780 [0,1,0,1,0,0|1,0,1]=4 2683 B12R1.1753 C=CC(C)C(=O)NCC1(CC1)O 527a_100011936951_100011216780 [0,1,0,1,0,0|1,0,1]=4 2684 B12R1.1753 C=C[C@@H](C)[C@@H](C)OCC1(CO1)C 34a_100015455354_100000760498 [0,1,0,1,0,0|1,0,0]=3 2685 B12R1.2075 C=CC(C)C(=O)N1CC(C1)(C)O 11a_100000718560_100011216780 [0,1,0,1,0,0|1,0,1]=4 2686 B12R1.2075 C=CC(C)C(=O)N1CC(C1)(C)O 240690a_100000718560_100011216780 [0,1,0,1,0,0|1,0,1]=4 2687 B12R1.2075 C=CC(C)C(=O)N1CC(C1)(C)O 527a_100000718560_100011216780 [0,1,0,1,0,0|1,0,1]=4 2688 B12R1.254 CC(=O)N1CC[C@H](C1)C(C)(C)O 1626a_100132313854_100015343762 [0,1,0,1,0,0|1,0,1]=4 2689 B12R1.254 CC(=O)N1CC[C@H](C1)C(C)(C)O 240690a_100132313854_100015343762 [0,1,0,1,0,0|1,0,1]=4 2690 B12R1.254 CC(=O)N1CC[C@H](C1)C(C)(C)O 527a_100132313854_100103153847 [0,1,0,1,0,0|1,0,1]=4 2691 B12R1.1381 CC(C)(O)CN1CC(C1)C(=O)N 34a_100025753142_100000764493 [0,1,0,1,0,0|2,0,0]=4 2692 B12R1.2199 CC(=O)C(C)OCC1OC1(C)C 7a_200010283642_100000179758 [0,1,0,1,0,0|1,0,1]=4 2693 B12R1.2199 CC(OCC1OC1(C)C)C(=O)N 34a_200010283642_100000702099 [0,1,0,1,0,0|2,0,0]=4 2694 B12R1.2199 CC(OCC1OC1(C)C)C(=O)N 7a_200010283642_100000702099 [0,1,0,1,0,0|2,0,0]=4 2695 B12R1.2203 CC(=O)C(C)N1CCC(C1)(C)O 2230a_100000718628_100009814033 [0,1,0,1,0,0|1,0,1]=4 2696 B12R1.2203 CC(=O)C(C)N1CCC(C1)(C)O 269982a_100000718628_100009814033 [0,1,0,1,0,0|1,0,1]=4 2697 B12R1.2203 CC(C(=O)N)N1CCC(C1)(C)O 2230a_100000718628_100000702099 [0,1,0,1,0,0|2,0,0]=4 2698 B12R1.2203 CC(C(=O)N)N1CCC(C1)(C)O 269982a_100000718628_100000184083 [0,1,0,1,0,0|2,0,0]=4 2699 B12R1.2213 C=C(C)C(C)N[C@H]1C[C@@](C1)(C)O 269862a_100121572536_100011216138 [0,1,0,1,0,0|1,0,0]=3 2700 B12R1.2213 CC(=O)C(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100009814033 [0,1,0,1,0,0|1,0,1]=4 2701 B12R1.2213 CC(N[C@H]1C[C@@](C1)(C)O)C(=O)N 2230a_100121572536_100000702099 [0,1,0,1,0,0|2,0,0]=4 2702 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 11a_100000723723_100015343762 [0,1,0,1,0,0|1,0,1]=4 2703 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 1626a_100000723723_100015343762 [0,1,0,1,0,0|1,0,1]=4 2704 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 240690a_100000723723_100015343762 [0,1,0,1,0,0|1,0,1]=4 2705 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 527a_100000723723_100103153847 [0,1,0,1,0,0|1,0,1]=4 2706 B12R1.3179 CC(=O)C(C)COCC1(CO1)C 34a_100000032740_100000760498 [0,1,0,1,0,0|1,0,1]=4 2707 B12R1.3179 CC(CNCC1(CO1)C)C(=O)O 269956a_100000749485_100000760498 [0,1,0,1,0,0|2,0,0]=4 2708 B12R1.9 CC1=CC[C@H](CC1)C(C)(C)O[13CH3] 34a_100015539799_200025704644 [0,1,0,1,0,0|0,0,2]=4 2709 B12R1.9 CC1=CC[C@H](CC1)C(C)(C)O[13CH3] 7a_100015539799_200025704644 [0,1,0,1,0,0|0,0,2]=4 2710 B12R1.9 CC1CCC(CC1)C(C)(C)O[13CH3] 34a_200011215047_200025704644 [0,1,0,1,0,0|0,0,2]=4 2711 B12R1.9 CC1CCC(CC1)C(C)(C)O[13CH3] 7a_200011215047_200025704644 [0,1,0,1,0,0|0,0,2]=4 2712 B12R1.9 COC(C)(C)C1CCC(CC1)C 34a_200011215047_200000210301 [0,1,0,1,0,0|0,0,2]=4 2713 B12R1.9 COC(C)(C)C1CCC(CC1)C 7a_200011215047_200000210301 [0,1,0,1,0,0|0,0,2]=4 2714 B12R1.9 COC(C)(C)[C@@H]1CC=C(CC1)C 34a_100015539799_200000210301 [0,1,0,1,0,0|0,0,2]=4 2715 B12R1.9 COC(C)(C)[C@@H]1CC=C(CC1)C 7a_100015539799_200000210301 [0,1,0,1,0,0|0,0,2]=4 2716 B12R1.1695 C=CC(C)N1CCC(C1C)(C)C 269982a_100102837566_100011215867 [0,1,0,1,0,0|2,0,0]=4 2717 B12R1.1849 C=CC(C)COCC1(CCC1)C 34a_100011215527_100000726658 [0,1,0,1,0,0|2,0,0]=4 2718 B12R1.1849 C=CC(C)COCC1(CCC1)C 7a_100011215527_100000726658 [0,1,0,1,0,0|2,0,0]=4 2719 B12R1.1849 C=CC(C)COCC1(COC1)C 34a_100011215527_100009817586 [0,1,0,1,0,0|1,0,0]=3 2720 B12R1.1849 C=CC(C)COCC1(COC1)C 7a_100011215527_100009817586 [0,1,0,1,0,0|1,0,0]=3 2721 B12R1.1849 C=CC(O)CNCC1(CCC1)O 2230a_100000752638_100000730141 [0,1,0,1,0,0|2,0,0]=4 2722 B12R1.1849 C=CC(O)CNCC1(COC1)C 2230a_100020631278_100000730141 [0,1,0,1,0,0|2,0,0]=4 2723 B12R1.1849 C=CC(O)CNCC1(COC1)O 2230a_100010264505_100000730141 [0,1,0,1,0,0|2,0,0]=4 2724 B12R1.1849 C=CC(O)CSCC1(COC1)C 62a_100000730141_100009817586 [0,1,0,1,0,0|2,0,0]=4 2725 B12R1.1849 C=CC(O)CSCC1(COC1)C 62a_100009817586_100000730141 [0,1,0,1,0,0|2,0,0]=4 2726 B12R1.1849 C=C[C@H](N)COCC1(COC1)C 34a_100016989147_100009817586 [0,1,0,1,0,0|2,0,0]=4 2727 B12R1.3537 C=CC(O)CN1CC(C1)(C)CO 2230a_100015203900_100000730141 [0,1,0,1,0,0|2,0,0]=4 2728 B12R1.3537 C=CC(O)CN1CC(C1)(C)OC 2230a_100000695453_100000730141 [0,1,0,1,0,0|2,0,0]=4 2729 B12R1.3537 C=CC(O)CN1CC(C1)(O)CC 2230a_100015191684_100000730141 [0,1,0,1,0,0|2,0,0]=4 2730 B12R1.3607 C=CC(C)COCC1(CC1)C#N 34a_100011215527_100000695377 [0,1,0,1,0,0|2,0,0]=4 2731 B12R1.3607 C=CC(C)COCC1(CC1)C#N 7a_100011215527_100000695377 [0,1,0,1,0,0|2,0,0]=4 2732 B12R1.3607 C=CC(C)COCC1(CO1)CC 34a_100011215527_200000139556 [0,1,0,1,0,0|1,0,0]=3 2733 B12R1.3607 C=CC(C)COCC1(CO1)CC 7a_100011215527_200000139556 [0,1,0,1,0,0|1,0,0]=3 2734 B12R1.3607 C=CC(O)CNCC1(CC1)CO 2230a_100000757901_100000730141 [0,1,0,1,0,0|2,0,0]=4 2735 B12R1.3607 C=CC(O)CSCC1(CO1)CC 62a_100000730141_200000139556 [0,1,0,1,0,0|2,0,0]=4 2736 B12R1.3607 C=CC(O)CSCC1(CO1)CC 62a_200000139556_100000730141 [0,1,0,1,0,0|2,0,0]=4 2737 B12R1.3607 C=C[C@H](N)COCC1(CO1)CC 34a_100016989147_200000139556 [0,1,0,1,0,0|2,0,0]=4 2738 B12R2.4359 CC(C)(C)N1CC2C=CC1C2 269982a_100000732668_100000210625 [0,0,0,2,0,0|2,0,0]=4 2739 B12R2.4359 CC(C)(C)N1CC2C=CC1C2 34a_100000732668_100000210625 [0,0,0,2,0,0|2,0,0]=4 2740 B12R2.3538 C=CC(C)N1CCC2(C1)CC2 269982a_100000697357_100011215867 [0,0,0,2,0,0|2,0,0]=4 2741 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,0,0,0,1,0|1,0,1]=4 2742 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,0,0,0,1,0|1,0,1]=4 2743 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [1,0,0,0,1,0|1,0,0]=3 2744 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [1,0,0,0,1,0|1,0,0]=3 2745 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [1,0,0,0,1,0|1,0,0]=3 2746 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [1,0,0,0,1,0|1,0,0]=3 2747 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [1,0,0,0,1,0|1,0,0]=3 2748 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [1,0,0,0,1,0|1,0,0]=3 2749 B8R0.9 C=CC(C)SCC(C)O 62a_100011215867_100011218427 [1,0,0,0,1,0|1,0,0]=3 2750 B8R0.9 C=CC(C)SC[C@@H](C)O 62a_100011215867_100009817552 [1,0,0,0,1,0|1,0,0]=3 2751 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [1,0,0,0,1,0|2,0,0]=4 2752 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [1,0,0,0,1,0|2,0,0]=4 2753 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [1,0,0,0,1,0|2,0,0]=4 2754 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [1,0,0,0,1,0|2,0,0]=4 2755 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [1,0,0,0,1,0|2,0,0]=4 2756 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [1,0,0,0,1,0|2,0,0]=4 2757 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,0,0,0,1,0|1,0,1]=4 2758 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,0,0,0,1,0|1,0,1]=4 2759 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,0,0,0,1,0|1,0,1]=4 2760 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,0,0,0,1,0|1,0,1]=4 2761 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,0,0,0,1,0|1,0,1]=4 2762 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,0,0,0,1,0|1,0,1]=4 2763 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,0,0,0,1,0|1,0,1]=4 2764 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,0,0,0,1,0|1,0,1]=4 2765 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,0,0,0,1,0|1,0,1]=4 2766 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,0,0,0,1,0|1,0,1]=4 2767 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,0,0,0,1,0|1,0,1]=4 2768 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,0,0,0,1,0|1,0,1]=4 2769 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,0,0,0,1,0|1,0,1]=4 2770 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,0,0,0,1,0|1,0,1]=4 2771 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [1,0,0,0,1,0|1,0,1]=4 2772 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [1,0,0,0,1,0|1,0,1]=4 2773 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [1,0,0,0,1,0|1,0,1]=4 2774 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [1,0,0,0,1,0|1,0,1]=4 2775 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [1,0,0,0,1,0|1,0,1]=4 2776 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [1,0,0,0,1,0|1,0,1]=4 2777 B8R0.24 C=CC(C)OC(C)(C)C 34a_100000695699_100000210625 [0,0,0,0,2,0|2,0,0]=4 2778 B8R0.24 C=CC(C)SC(C)(C)C 62a_100011215867_100000211941 [0,0,0,0,2,0|2,0,0]=4 2779 B10R0.55 C#CC(C)NCCCC(C)C 2230a_100000707721_100011214892 [1,0,0,0,0,1|0,0,2]=4 2780 B10R0.55 C#CC(C)NCCCC(C)C 34a_100000707721_100011214892 [1,0,0,0,0,1|0,0,2]=4 2781 B10R0.55 C#CC(C)NCCCC(C)C 34a_200000737386_200000035995 [1,0,0,0,0,1|0,0,2]=4 2782 B10R0.55 C#CC(C)NCCCC(C)O 2230a_100000707721_200000718107 [1,0,0,0,0,1|0,0,2]=4 2783 B10R0.55 C#CC(C)NCCCC(C)O 34a_100000707721_200000718107 [1,0,0,0,0,1|0,0,2]=4 2784 B10R0.55 C#CC(C)OCCCC(C)C 34a_100000210774_200000035995 [1,0,0,0,0,1|0,0,2]=4 2785 B10R0.55 C#CC(C)SCCCC(C)C 62a_200000035995_100011214892 [1,0,0,0,0,1|0,0,2]=4 2786 B10R0.55 C#CC(C)SCCCC(C)O 62a_200000035995_200000718107 [1,0,0,0,0,1|0,0,2]=4 2787 B10R0.55 C#C[C@@H](C)OCCCC(C)C 34a_100009815206_100011214892 [1,0,0,0,0,1|0,0,2]=4 2788 B10R0.55 C#C[C@@H](C)OCCCC(C)C 7a_100009815206_100011214892 [1,0,0,0,0,1|0,0,2]=4 2789 B10R0.55 C#C[C@@H](C)OCCCC(C)O 34a_100009815206_200000718107 [1,0,0,0,0,1|0,0,2]=4 2790 B10R0.55 C#C[C@@H](C)OCCCC(C)O 7a_100009815206_200000718107 [1,0,0,0,0,1|0,0,2]=4 2791 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [1,0,0,0,0,1|1,0,1]=4 2792 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [1,0,0,0,0,1|1,0,1]=4 2793 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [1,0,0,0,0,1|1,0,1]=4 2794 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [1,0,0,0,0,1|0,0,2]=4 2795 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [1,0,0,0,0,1|0,0,2]=4 2796 B10R0.55 C=CC(C)COCCC(=C)C 34a_100011215527_100000730704 [1,0,0,0,0,1|0,0,2]=4 2797 B10R0.55 C=CC(C)COCCC(=C)C 7a_100011215527_100000730704 [1,0,0,0,0,1|0,0,2]=4 2798 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [1,0,0,0,0,1|0,0,2]=4 2799 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [1,0,0,0,0,1|0,0,0]=2 2800 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [1,0,0,0,0,1|0,0,0]=2 2801 B10R0.55 C=CC(C)COCCC(C)O 34a_100011215527_100012276601 [1,0,0,0,0,1|0,0,0]=2 2802 B10R0.55 C=CC(C)COCCC(C)O 7a_100011215527_100012276601 [1,0,0,0,0,1|0,0,0]=2 2803 B10R0.55 C=CC(C)COCCN(C)C 7a_100011215527_100000755713 [1,0,0,0,0,1|1,0,0]=3 2804 B10R0.55 C=CC(C)COCOC(C)C 34a_100011215527_100000709892 [1,0,0,0,0,1|1,0,0]=3 2805 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [1,0,0,0,0,1|0,0,2]=4 2806 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [1,0,0,0,0,1|0,0,2]=4 2807 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [1,0,0,0,0,1|0,0,0]=2 2808 B10R0.55 C=CC(C)OCCCC(C)O 34a_100000695699_200000718107 [1,0,0,0,0,1|0,0,0]=2 2809 B10R0.55 C=CC(C)OCCOC(C)C 34a_100000695699_100000211751 [1,0,0,0,0,1|1,0,0]=3 2810 B10R0.55 C=CC(C)OCCSC(C)C 34a_100000695699_100000730970 [1,0,0,0,0,1|1,0,0]=3 2811 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [1,0,0,0,0,1|0,0,2]=4 2812 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [1,0,0,0,0,1|0,0,2]=4 2813 B10R0.55 C=CC(C)SCCCC(C)C 62a_100011215867_100011214892 [1,0,0,0,0,1|0,0,0]=2 2814 B10R0.55 C=CC(C)SCCCC(C)O 62a_100011215867_200000718107 [1,0,0,0,0,1|0,0,0]=2 2815 B10R0.55 C=CC(C)SCCCN(C)C 62a_100011215867_100000757444 [1,0,0,0,0,1|1,0,0]=3 2816 B10R0.55 C=CC(C)SCCOC(C)C 62a_100011215867_100000211751 [1,0,0,0,0,1|1,0,0]=3 2817 B10R0.55 C=CC(C)SCCSC(C)C 62a_100011215867_100000730970 [1,0,0,0,0,1|1,0,0]=3 2818 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [1,0,0,0,0,1|1,0,0]=3 2819 B10R0.55 C=CC(O)COCCC(C)Br 34a_100009893172_100000730141 [1,0,0,0,0,1|2,0,0]=4 2820 B10R0.55 C=CC(O)COCCC(C)C 34a_100000210254_100000730141 [1,0,0,0,0,1|1,0,0]=3 2821 B10R0.55 C=CC(O)COCCC(C)C 7a_100000210254_100000730141 [1,0,0,0,0,1|1,0,0]=3 2822 B10R0.55 C=CC(O)COCC[C@@H](C)N 34a_100000706166_100000730141 [1,0,0,0,0,1|2,0,0]=4 2823 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000210312_100000730141 [1,0,0,0,0,1|1,0,0]=3 2824 B10R0.55 C=CC(O)CSCCC(C)C 62a_100000730141_100000210312 [1,0,0,0,0,1|1,0,0]=3 2825 B10R0.55 C=CC(O)CSCCC(C)O 62a_100000730141_100012276601 [1,0,0,0,0,1|1,0,0]=3 2826 B10R0.55 C=CC(O)CSCCC(C)O 62a_100012276601_100000730141 [1,0,0,0,0,1|1,0,0]=3 2827 B10R0.55 C=CC(O)CSCCN(C)C 62a_100000730141_100000755713 [1,0,0,0,0,1|2,0,0]=4 2828 B10R0.55 C=CC(O)CSCOC(C)C 62a_100000709892_100000730141 [1,0,0,0,0,1|2,0,0]=4 2829 B10R0.55 C=CC(O)CSCOC(C)C 62a_100000730141_100000709892 [1,0,0,0,0,1|2,0,0]=4 2830 B10R0.55 C=C[C@H](N)COCCC(C)C 34a_100016989147_100000210312 [1,0,0,0,0,1|1,0,0]=3 2831 B10R0.55 C=C[C@H](N)COCCC(C)O 34a_100016989147_100012276601 [1,0,0,0,0,1|1,0,0]=3 2832 B10R0.55 C=C[C@H](N)COCOC(C)C 34a_100016989147_100000709892 [1,0,0,0,0,1|2,0,0]=4 2833 B10R0.55 CC(C)CCCNC(C)C#N 2230a_100000737613_100011214892 [1,0,0,0,0,1|1,0,1]=4 2834 B10R0.55 CC(C)CCCNC(C)C#N 2230a_200000737386_100000184139 [1,0,0,0,0,1|1,0,1]=4 2835 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [1,0,0,0,0,1|1,0,1]=4 2836 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [1,0,0,0,0,1|1,0,1]=4 2837 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [1,0,0,0,0,1|1,0,1]=4 2838 B10R0.55 CC(C)CCCOC(C)C#N 34a_100011218135_100011214892 [1,0,0,0,0,1|1,0,1]=4 2839 B10R0.55 CC(C)CCCOC(C)C#N 7a_100000210774_100000703298 [1,0,0,0,0,1|1,0,1]=4 2840 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [1,0,0,0,0,1|1,0,1]=4 2841 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [1,0,0,0,0,1|1,0,1]=4 2842 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [1,0,0,0,0,1|1,0,1]=4 2843 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [1,0,0,0,0,1|1,0,1]=4 2844 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [1,0,0,0,0,1|1,0,1]=4 2845 B10R0.55 CC(C)CCCSC(C)C#N 62a_100000703298_100011214892 [1,0,0,0,0,1|1,0,1]=4 2846 B10R0.55 CC(C)CCCSC(C)C#N 62a_100011214892_100000703298 [1,0,0,0,0,1|1,0,1]=4 2847 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [1,0,0,0,0,1|1,0,1]=4 2848 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [1,0,0,0,0,1|1,0,1]=4 2849 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [1,0,0,0,0,1|1,0,1]=4 2850 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [1,0,0,0,0,1|1,0,1]=4 2851 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [1,0,0,0,0,1|1,0,1]=4 2852 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [1,0,0,0,0,1|1,0,1]=4 2853 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [1,0,0,0,0,1|1,0,1]=4 2854 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [1,0,0,0,0,1|1,0,1]=4 2855 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [1,0,0,0,0,1|1,0,1]=4 2856 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [1,0,0,0,0,1|1,0,1]=4 2857 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [1,0,0,0,0,1|1,0,1]=4 2858 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [1,0,0,0,0,1|1,0,1]=4 2859 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [1,0,0,0,0,1|1,0,1]=4 2860 B10R0.55 CC(C)OCCC[C@@H](C)CN 34a_100160569302_100000210206 [1,0,0,0,0,1|1,0,1]=4 2861 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [1,0,0,0,0,1|1,0,1]=4 2862 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [1,0,0,0,0,1|1,0,1]=4 2863 B10R0.55 CC(O)CCCNC(C)C#N 2230a_100000737613_200000718107 [1,0,0,0,0,1|1,0,1]=4 2864 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [1,0,0,0,0,1|1,0,1]=4 2865 B10R0.55 CC(O)CCCOC(C)C#N 34a_100011218135_200000718107 [1,0,0,0,0,1|1,0,1]=4 2866 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [1,0,0,0,0,1|1,0,1]=4 2867 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [1,0,0,0,0,1|1,0,1]=4 2868 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [1,0,0,0,0,1|1,0,1]=4 2869 B10R0.55 CC(O)CCCSC(C)C#N 62a_100000703298_200000718107 [1,0,0,0,0,1|1,0,1]=4 2870 B10R0.55 CC(O)CCCSC(C)C#N 62a_200000718107_100000703298 [1,0,0,0,0,1|1,0,1]=4 2871 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [1,0,0,0,0,1|1,0,1]=4 2872 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [1,0,0,0,0,1|1,0,1]=4 2873 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [1,0,0,0,0,1|1,0,1]=4 2874 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [1,0,0,0,0,1|1,0,1]=4 2875 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [1,0,0,0,0,1|1,0,1]=4 2876 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [1,0,0,0,0,1|1,0,1]=4 2877 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [1,0,0,0,0,1|1,0,1]=4 2878 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [1,0,0,0,0,1|1,0,1]=4 2879 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [1,0,0,0,0,1|1,0,1]=4 2880 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [1,0,0,0,0,1|1,0,1]=4 2881 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [1,0,0,0,0,1|0,0,2]=4 2882 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [1,0,0,0,0,1|0,0,2]=4 2883 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [1,0,0,0,0,1|0,0,2]=4 2884 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [1,0,0,0,0,1|0,0,2]=4 2885 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [1,0,0,0,0,1|0,0,2]=4 2886 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [1,0,0,0,0,1|0,0,2]=4 2887 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [1,0,0,0,0,1|0,0,2]=4 2888 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [1,0,0,0,0,1|0,0,2]=4 2889 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [1,0,0,0,0,1|0,0,2]=4 2890 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [1,0,0,0,0,1|0,0,2]=4 2891 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [1,0,0,0,0,1|0,0,2]=4 2892 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [1,0,0,0,0,1|0,0,2]=4 2893 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [1,0,0,0,0,1|0,0,2]=4 2894 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [1,0,0,0,0,1|0,0,2]=4 2895 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [1,0,0,0,0,1|0,0,2]=4 2896 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [1,0,0,0,0,1|0,0,2]=4 2897 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [1,0,0,0,0,1|0,0,2]=4 2898 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [1,0,0,0,0,1|0,0,2]=4 2899 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [1,0,0,0,0,1|0,0,2]=4 2900 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [1,0,0,0,0,1|0,0,2]=4 2901 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [1,0,0,0,0,1|0,0,2]=4 2902 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [1,0,0,0,0,1|0,0,2]=4 2903 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [1,0,0,0,0,1|0,0,2]=4 2904 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [1,0,0,0,0,1|0,0,2]=4 2905 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [1,0,0,0,0,1|0,0,2]=4 2906 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [1,0,0,0,0,1|0,0,2]=4 2907 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [1,0,0,0,0,1|0,0,2]=4 2908 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [1,0,0,0,0,1|0,0,2]=4 2909 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [1,0,0,0,0,1|0,0,2]=4 2910 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [1,0,0,0,0,1|0,0,2]=4 2911 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [1,0,0,0,0,1|0,0,2]=4 2912 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [1,0,0,0,0,1|0,0,2]=4 2913 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [1,0,0,0,0,1|0,0,2]=4 2914 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [1,0,0,0,0,1|0,0,2]=4 2915 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [1,0,0,0,0,1|0,0,2]=4 2916 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [1,0,0,0,0,1|0,0,2]=4 2917 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [1,0,0,0,0,1|0,0,2]=4 2918 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [1,0,0,0,0,1|0,0,2]=4 2919 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [1,0,0,0,0,1|0,0,2]=4 2920 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [1,0,0,0,0,1|0,0,2]=4 2921 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [1,0,0,0,0,1|0,0,2]=4 2922 B10R0.55 CNC(C)CCOCC(C)C 270004a_106832991635_200011216429 [1,0,0,0,0,1|1,0,1]=4 2923 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [1,0,0,0,0,1|1,0,1]=4 2924 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [1,0,0,0,0,1|1,0,1]=4 2925 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [1,0,0,0,0,1|1,0,1]=4 2926 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [1,0,0,0,0,1|1,0,1]=4 2927 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [1,0,0,0,0,1|1,0,1]=4 2928 B10R0.55 COC(C)SCCCC(C)C 62a_100009879195_100011214892 [1,0,0,0,0,1|1,0,1]=4 2929 B10R0.55 COC(C)SCCCC(C)C 62a_100011214892_100009879195 [1,0,0,0,0,1|1,0,1]=4 2930 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [1,0,0,0,0,1|1,0,1]=4 2931 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [1,0,0,0,0,1|1,0,1]=4 2932 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [1,0,0,0,0,1|1,0,1]=4 2933 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [1,0,0,0,0,1|1,0,1]=4 2934 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [1,0,0,0,0,1|1,0,1]=4 2935 B12R0.150 C=CC(=O)NCCOCC(C)(C)O 34a_100011304386_100000764493 [0,0,0,0,0,2|1,0,1]=4 2936 B12R0.150 C=CC(=O)OCCNCC(C)(C)O 2230a_100000751335_100009813456 [0,0,0,0,0,2|1,0,1]=4 2937 B12R0.150 C=CC(=O)OCCSCC(C)(C)O 62a_100000764493_100009813456 [0,0,0,0,0,2|1,0,1]=4 2938 B12R0.150 C=CC(=O)OCCSCC(C)(C)O 62a_100009813456_100000764493 [0,0,0,0,0,2|1,0,1]=4 2939 B12R0.150 C=CC(C)COCCCC(C)(C)O 34a_100011215527_100009888830 [0,0,0,0,0,2|0,0,0]=2 2940 B12R0.150 C=CC(C)COCCCC(C)(C)O 7a_100011215527_100009888830 [0,0,0,0,0,2|0,0,0]=2 2941 B12R0.150 C=CC(C)COCCC[N+](C)(C)C 34a_100011215527_100016990835 [0,0,0,0,0,2|2,0,0]=4 2942 B12R0.150 C=CC(C)COCCC[N+](C)(C)C 7a_100011215527_100016990835 [0,0,0,0,0,2|2,0,0]=4 2943 B12R0.150 C=CC(C)COCCC[Si](C)(C)C 34a_100011215527_100011219597 [0,0,0,0,0,2|1,1,0]=4 2944 B12R0.150 C=CC(C)COCCC[Si](C)(C)C 7a_100011215527_100011219597 [0,0,0,0,0,2|1,1,0]=4 2945 B12R0.150 C=CC(C)COCCO[Si](C)(C)C 34a_100011215527_200000032530 [0,0,0,0,0,2|1,1,0]=4 2946 B12R0.150 C=CC(C)COCCO[Si](C)(C)C 7a_100011215527_200000032530 [0,0,0,0,0,2|1,1,0]=4 2947 B12R0.150 C=CC(C)OCOCC[Si](C)(C)C 34a_100000695699_100000032501 [0,0,0,0,0,2|1,1,0]=4 2948 B12R0.150 C=CC(C)SCOCC[Si](C)(C)C 62a_100011215867_100000032501 [0,0,0,0,0,2|1,1,0]=4 2949 B12R0.150 C=CC(O)CNCCOC(C)(C)C 2230a_100000747557_100000730141 [0,0,0,0,0,2|2,0,0]=4 2950 B12R0.150 C=CC(O)CNCCSC(C)(C)C 2230a_100000689375_100000730141 [0,0,0,0,0,2|2,0,0]=4 2951 B12R0.150 C=CC(O)COCCOC(C)(C)C 34a_100000693234_100000730141 [0,0,0,0,0,2|2,0,0]=4 2952 B12R0.150 C=CC(O)COCCOC(C)(C)C 7a_100000693234_100000730141 [0,0,0,0,0,2|2,0,0]=4 2953 B12R0.150 C=CC(O)CSCCCC(C)(C)O 62a_100000730141_100009888830 [0,0,0,0,0,2|1,0,0]=3 2954 B12R0.150 C=CC(O)CSCCCC(C)(C)O 62a_100009888830_100000730141 [0,0,0,0,0,2|1,0,0]=3 2955 B12R0.150 C=C[C@H](N)COCCCC(C)(C)O 34a_100016989147_100009888830 [0,0,0,0,0,2|1,0,0]=3 2956 B12R0.150 CC(CN)COCCCC(C)(C)O 34a_100000744482_100009888830 [0,0,0,0,0,2|1,0,1]=4 2957 B12R0.150 CC(CO)CCNCCC(C)(C)O 2230a_106354213184_100000702414 [0,0,0,0,0,2|1,0,1]=4 2958 B12R0.150 CC(CO)CCNCCC(C)(C)O 34a_106354213184_100000702414 [0,0,0,0,0,2|1,0,1]=4 2959 B12R0.150 CC(CO)CNCCCC(C)(C)O 34a_100000744482_100009888830 [0,0,0,0,0,2|1,0,1]=4 2960 B12R0.150 CCC(C)CCCOCC(C)(C)O 7a_100011216074_100000764493 [0,0,0,0,0,2|0,0,2]=4 2961 B12R0.150 CCC(C)CCNCCC(C)(C)O 2230a_100020591266_100000702414 [0,0,0,0,0,2|0,0,2]=4 2962 B12R0.150 CCC(C)CCOCCC(C)(C)O 7a_100011215188_100000702414 [0,0,0,0,0,2|0,0,2]=4 2963 B12R0.150 CCC(C)CNCCCC(C)(C)O 2230a_100020588543_100009888830 [0,0,0,0,0,2|0,0,2]=4 2964 B12R0.150 CCC(C)CSCCCC(C)(C)O 62a_100000748023_100009888830 [0,0,0,0,0,2|0,0,2]=4 2965 B12R0.150 CCC(C)CSCCCC(C)(C)O 62a_100009888830_100000748023 [0,0,0,0,0,2|0,0,2]=4 2966 B12R0.150 CC[C@H](C)COCCCC(C)(C)O 7a_100009816381_100009888830 [0,0,0,0,0,2|0,0,2]=4 2967 B12R0.150 CC[C@H](C)CSCCCC(C)(C)O 62a_100009816398_100009888830 [0,0,0,0,0,2|0,0,2]=4 2968 B12R0.150 CC[C@H](C)CSCCCC(C)(C)O 62a_100009888830_100009816398 [0,0,0,0,0,2|0,0,2]=4 2969 B12R0.150 COC(C)CCOCCC(C)(C)O 7a_100000764861_100000702414 [0,0,0,0,0,2|1,0,1]=4 2970 B12R0.150 COC(C)COCCCC(C)(C)O 34a_100000690652_100009888830 [0,0,0,0,0,2|1,0,1]=4 2971 B12R0.150 CO[C@H](C)CNCCCC(C)(C)O 2230a_100020591295_100009888830 [0,0,0,0,0,2|1,0,1]=4 2972 B12R0.150 C[C@@H](CN)CCCOCC(C)(C)O 34a_100160569302_100000764493 [0,0,0,0,0,2|1,0,1]=4 2973 B12R0.150 C[C@@H](CO)CSCCCC(C)(C)O 62a_100000059175_100009888830 [0,0,0,0,0,2|1,0,1]=4 2974 B12R0.150 C[C@@H](CO)CSCCCC(C)(C)O 62a_100009888830_100000059175 [0,0,0,0,0,2|1,0,1]=4