0 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,0,0,0,0,0|4,0,0]=4 38 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [1,0,0,0,0,0|1,0,2]=4 51 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,0,0,0,0|0,0,1]=2 77 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,0,0,0,0|0,0,1]=2 78 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,0,0,0,0|0,0,3]=4 81 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,0,0,0,0|0,0,3]=4 82 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,0,0,0,0|0,0,3]=4 83 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,0,0,0,0|0,0,3]=4 84 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,0,0,0,0|0,0,3]=4 86 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,0,0,0,0|0,0,3]=4 87 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.8 C#CCNC(C)(C)C 2230a_100000715429_100000038162 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.8 C#CCNC(C)(C)C 34a_100000212058_100000210625 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.8 C#CCOC(C)(C)C 34a_100000210247_100000210625 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.8 C#CCOC(C)(C)C 34a_100015890283_100000184674 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.8 C#CCOC(C)(C)C 7a_100015890283_100000038162 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.8 C#CCSC(C)(C)C 62a_100000038162_100000211941 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,1,0,0,0,0|2,0,0]=3 121 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,1,0,0,0,0|1,1,1]=4 128 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,1,0,0,0,0|1,1,1]=4 129 B7R0.8 CC(C)(C)CSCF 62a_100011219605_100015361967 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.8 CC(C)(C)CSCF 62a_100015361967_100011219605 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.8 CC(C)(C)NCC#N 2230a_100000715429_100011215382 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.8 CC(C)(C)NCCF 2230a_100000715429_100011217306 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.8 CC(C)(C)NCCF 34a_100000724931_100000210625 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.8 CC(C)(C)OCC#N 7a_100015890283_100011215382 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.8 CC(C)(C)OCCBr 34a_100000211926_100000210625 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.8 CC(C)(C)OCCF 34a_100015890283_100011217306 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.8 CC(C)(C)OCCF 7a_100015890283_100011217306 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.8 CC(C)(C)OCCN 34a_100000210304_100000210625 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.8 CC(C)(C)SCC#N 62a_100000211941_100011215382 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.8 CC(C)(C)SCC#N 62a_100011215382_100000211941 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,1,0,0,0,0|1,0,0]=2 149 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,1,0,0,0,0|1,0,0]=2 150 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [0,1,0,0,0,0|3,0,0]=4 155 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.8 CCNC[Si](C)(C)C 2230a_100015525214_100000037933 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.8 CCSC[N+](C)(C)C 62a_100000210202_200000036245 [0,1,0,0,0,0|1,0,1]=3 168 B7R0.8 CCSC[N+](C)(C)C 62a_200000036245_100000210202 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.8 CCSC[Si](C)(C)C 62a_100000037933_100000210202 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.8 CCSC[Si](C)(C)C 62a_100000210202_100000037933 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.8 CNCC[N+](C)(C)C 34a_100102657272_100000085578 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.8 CNCC[N+](C)(C)C 7a_106832991635_100000085578 [0,1,0,0,0,0|1,0,1]=3 177 B7R0.8 CNCC[Si](C)(C)C 2230a_106832991635_200000733723 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.8 CNCC[Si](C)(C)C 34a_100102657272_200000733723 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.8 CNCC[Si](C)(C)C 7a_106832991635_200000733723 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [0,1,0,0,0,0|0,0,2]=3 183 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [0,1,0,0,0,0|0,0,2]=3 184 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [0,1,0,0,0,0|1,0,2]=4 185 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,1,0,0,0,0|1,1,1]=4 190 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,1,0,0,0,0|1,1,1]=4 191 B7R0.8 CSCC[N+](C)(C)C 62a_100000085578_200000210301 [0,1,0,0,0,0|0,1,1]=3 192 B7R0.8 CSCC[N+](C)(C)C 62a_200000210301_100000085578 [0,1,0,0,0,0|0,1,1]=3 193 B7R0.8 CSCC[Si](C)(C)C 62a_200000210301_200000733723 [0,1,0,0,0,0|1,1,1]=4 194 B7R0.8 CSCC[Si](C)(C)C 62a_200000733723_200000210301 [0,1,0,0,0,0|1,1,1]=4 195 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [0,1,0,0,0,0|3,0,0]=4 198 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [0,1,0,0,0,0|3,0,0]=4 199 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [0,1,0,0,0,0|0,0,2]=3 200 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_100000085578_200025704644 [0,1,0,0,0,0|0,1,1]=3 201 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_200025704644_100000085578 [0,1,0,0,0,0|0,1,1]=3 202 B7R0.8 C[N+](C)(C)CSCF 62a_100015361967_200000036245 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.8 C[N+](C)(C)CSCF 62a_200000036245_100015361967 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200000733723_200025704644 [0,1,0,0,0,0|1,1,1]=4 206 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200025704644_200000733723 [0,1,0,0,0,0|1,1,1]=4 207 B7R0.8 C[Si](C)(C)CSCF 62a_100000037933_100015361967 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.8 C[Si](C)(C)CSCF 62a_100015361967_100000037933 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,0,0|1,0,0]=2 210 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,0,0,0,0|3,0,0]=4 212 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,0,0,0,0|0,0,0]=1 213 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,0,0,0,0|1,0,0]=2 214 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,0,0,0,0|1,0,0]=2 215 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,0,0|1,0,0]=2 220 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,0,0|2,0,0]=3 221 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,1,0,0,0,0|3,0,0]=4 222 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.9 CN(C)C[N+](C)(C)C 269982a_100102631434_200000036245 [0,1,0,0,0,0|2,0,0]=3 225 B7R0.9 CN(C)C[Si](C)(C)C 2230a_100102631434_100000037933 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.9 CN(C)C[Si](C)(C)C 269982a_200020589227_200000210301 [0,1,0,0,0,0|3,0,0]=4 227 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.9 CN([13CH3])C[Si](C)(C)C 269982a_200020589227_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,0,0,0,0|3,0,0]=4 231 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,0,0,0,0|0,0,0]=1 232 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,1,0,0,0,0|2,0,0]=3 235 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,1,0,0,0,0|3,0,0]=4 237 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,0,0,0,0|2,0,1]=4 243 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,1,0,0,0,0|3,0,0]=4 245 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,1,0,0,0,0|3,0,0]=4 247 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,1,0,0,0,0|3,0,0]=4 250 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,1,0,0,0,0|3,0,0]=4 263 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,1,0,0,0,0|3,0,0]=4 266 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,1,0,0,0,0|3,0,0]=4 267 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,0,0,1,0,0|3,0,0]=4 277 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|0,0,2]=4 278 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|0,0,2]=4 279 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|0,0,2]=4 280 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|0,0,2]=4 281 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|0,0,2]=4 282 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|0,0,2]=4 283 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 285 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 286 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 289 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|0,0,1]=3 297 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|0,0,1]=3 298 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|0,0,1]=3 299 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 301 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 302 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 304 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|0,0,1]=3 314 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|0,0,1]=3 315 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [1,1,0,0,0,0|1,0,1]=4 323 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [1,1,0,0,0,0|1,0,1]=4 324 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|0,0,1]=3 333 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|0,0,1]=3 341 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|0,0,1]=3 342 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|0,0,1]=3 343 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|0,0,1]=3 344 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|0,0,1]=3 345 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|0,0,1]=3 346 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|0,0,1]=3 348 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|0,0,1]=3 349 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,1,0,0,0,0|1,0,1]=4 356 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,1,0,0,0,0|1,0,1]=4 360 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|1,0,0]=3 368 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|1,0,0]=3 370 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|1,0,0]=3 371 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|1,0,0]=3 372 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [1,1,0,0,0,0|1,0,0]=3 374 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [1,1,0,0,0,0|1,0,0]=3 377 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [1,1,0,0,0,0|2,0,0]=4 396 B8R0.14 C=CCC(=O)C(C)(C)C 1458a_106744555173_100000210623 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.14 C=CCN(C)C(C)(C)C 2230a_100025770937_200000210301 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.14 C=CCN(C)C(C)(C)C 269982a_100000225617_100000210625 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.14 C=CCN(C)C(C)(C)C 269982a_100011215553_100000210623 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.14 C=CCN(C)C(C)(C)C 269982a_100025770937_200000210301 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.14 C=CCN([13CH3])C(C)(C)C 2230a_100025770937_200025704644 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.14 C=CCN([13CH3])C(C)(C)C 269982a_100025770937_200025704644 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.14 CN(CC=O)C(C)(C)C 269982a_100011215553_200015260668 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.21 C#CCSC[N+](C)(C)C 62a_100000038162_200000036245 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.21 C/C=C/COC(C)(C)C 34a_100015890283_100102629194 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.21 C/C=C/COC(C)(C)C 34a_100016270725_100000210625 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.21 C/C=C/COC(C)(C)C 7a_100015890283_100102629194 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.21 C/C=C/CSC(C)(C)C 62a_100000211941_100102629194 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.21 C/C=C/CSC(C)(C)C 62a_100102629194_100000211941 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.21 C=CCCNC(C)(C)C 2230a_100000715429_100000754431 [0,2,0,0,0,0|2,0,0]=4 411 B8R0.21 C=CCCOC(C)(C)C 34a_100011205117_100000210625 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.21 C=CCCOC(C)(C)C 34a_100015890283_100000754431 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.21 C=CCCOC(C)(C)C 7a_100015890283_100000754431 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.21 C=CCCSC(C)(C)C 62a_100000211941_100000754431 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.21 C=CCCSC(C)(C)C 62a_100000754431_100000211941 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.21 C=CCNCC(C)(C)C 2230a_100000743828_100000210623 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.21 C=CCNCC(C)(C)C 270004a_100020586998_100011204126 [0,2,0,0,0,0|2,0,0]=4 418 B8R0.21 C=CCNC[Si](C)(C)C 2230a_100020586998_100000037933 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.21 C=CCOCC(C)(C)C 34a_200000210373_100011219605 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.21 C=CCSCC(C)(C)C 62a_100000210623_100011219605 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.21 C=CCSCC(C)(C)C 62a_100011219605_100000210623 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.21 C=CCSC[N+](C)(C)C 62a_100000210623_200000036245 [0,2,0,0,0,0|1,0,0]=3 423 B8R0.21 C=CCSC[N+](C)(C)C 62a_200000036245_100000210623 [0,2,0,0,0,0|1,0,0]=3 424 B8R0.21 C=CCSC[Si](C)(C)C 62a_100000037933_100000210623 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.21 C=CCSC[Si](C)(C)C 62a_100000210623_100000037933 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,2,0,0,0,0|2,0,0]=4 434 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.21 CC=CCNC(C)(C)C 2230a_100000715429_100000070051 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.21 CC=CCOC(C)(C)C 34a_100015890283_100000070051 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.21 CC=CCOC(C)(C)C 7a_100015890283_100000070051 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.21 CC=CCSC(C)(C)C 62a_100000070051_100000211941 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.21 CC=CCSC(C)(C)C 62a_100000211941_100000070051 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.21 CCCSC[N+](C)(C)C 62a_100000210303_200000036245 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.21 CCCSC[N+](C)(C)C 62a_200000036245_100000210303 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.21 CCOCC[N+](C)(C)C 34a_100121572206_100000085578 [0,2,0,0,0,0|0,0,2]=4 444 B8R0.21 CCOCC[N+](C)(C)C 7a_200020618287_100000210202 [0,2,0,0,0,0|0,0,2]=4 445 B8R0.21 CCSCC[N+](C)(C)C 62a_100000085578_100000210202 [0,2,0,0,0,0|0,1,1]=4 446 B8R0.21 CCSCC[N+](C)(C)C 62a_100000210202_100000085578 [0,2,0,0,0,0|0,1,1]=4 447 B8R0.21 CNCCC[N+](C)(C)C 2230a_106832991635_100016990835 [0,2,0,0,0,0|1,0,1]=4 448 B8R0.21 CNCCC[N+](C)(C)C 34a_100102657272_100016990835 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.21 CNCCC[N+](C)(C)C 7a_106832991635_100016990835 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.21 COCCC[N+](C)(C)C 34a_100138415774_100016990835 [0,2,0,0,0,0|0,0,2]=4 451 B8R0.21 COCSC[N+](C)(C)C 62a_100000766300_200000036245 [0,2,0,0,0,0|0,0,2]=4 452 B8R0.21 COCSC[N+](C)(C)C 62a_200000036245_100000766300 [0,2,0,0,0,0|0,0,2]=4 453 B8R0.21 CSCCC[N+](C)(C)C 62a_100016990835_200000210301 [0,2,0,0,0,0|0,1,1]=4 454 B8R0.21 CSCCC[N+](C)(C)C 62a_200000210301_100016990835 [0,2,0,0,0,0|0,1,1]=4 455 B8R0.21 CSCSC[N+](C)(C)C 62a_100011218213_200000036245 [0,2,0,0,0,0|0,1,1]=4 456 B8R0.21 CSCSC[N+](C)(C)C 62a_200000036245_100011218213 [0,2,0,0,0,0|0,1,1]=4 457 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_100016990835_200025704644 [0,2,0,0,0,0|0,1,1]=4 458 B8R0.21 C[N+](C)(C)CCCS[13CH3] 62a_200025704644_100016990835 [0,2,0,0,0,0|0,1,1]=4 459 B8R0.21 C[N+](C)(C)CCOCF 7a_200020618287_100015361967 [0,2,0,0,0,0|0,0,2]=4 460 B8R0.21 C[N+](C)(C)CCSCF 62a_100000085578_100015361967 [0,2,0,0,0,0|0,1,1]=4 461 B8R0.21 C[N+](C)(C)CCSCF 62a_100015361967_100000085578 [0,2,0,0,0,0|0,1,1]=4 462 B8R0.21 C[N+](C)(C)CSCC#N 62a_100011215382_200000036245 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.21 C[N+](C)(C)CSCC#N 62a_200000036245_100011215382 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.21 C[N+](C)(C)CSCC=O 62a_200000036245_200015260668 [0,2,0,0,0,0|0,0,0]=2 465 B8R0.21 C[N+](C)(C)CSCC=O 62a_200015260668_200000036245 [0,2,0,0,0,0|0,0,0]=2 466 B8R0.21 C[N+](C)(C)CSCCF 62a_100011217306_200000036245 [0,2,0,0,0,0|1,0,1]=4 467 B8R0.21 C[N+](C)(C)CSCCF 62a_200000036245_100011217306 [0,2,0,0,0,0|1,0,1]=4 468 B8R0.21 C[N+](C)(C)CSCCO 62a_100000211926_200000036245 [0,2,0,0,0,0|0,0,2]=4 469 B8R0.21 C[N+](C)(C)CSCCO 62a_200000036245_100000211926 [0,2,0,0,0,0|0,0,2]=4 470 B8R0.21 C[Si](C)(C)CSCC=O 62a_100000037933_200015260668 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.21 C[Si](C)(C)CSCC=O 62a_200015260668_100000037933 [0,2,0,0,0,0|1,0,0]=3 472 B8R0.24 C#CC(=O)C[Si](C)(C)C 1458a_100000211873_100000233785 [0,2,0,0,0,0|1,0,0]=3 473 B8R0.24 C=CC(=O)C[Si](C)(C)C 1458a_100000185746_100000233785 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.24 C=CC(C)OC(C)(C)C 34a_100000695699_100000210625 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.24 C=CC(C)SC(C)(C)C 62a_100011215867_100000211941 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,2,0,0,0,0|1,0,0]=3 483 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,2,0,0,0,0|0,0,0]=2 485 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,2,0,0,0,0|1,0,0]=3 487 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 488 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.24 CCN(C)C[N+](C)(C)C 269982a_100000225621_200000036245 [0,2,0,0,0,0|1,0,1]=4 492 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 495 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,2,0,0,0,0|1,0,0]=3 496 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [0,2,0,0,0,0|0,0,0]=2 498 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [0,2,0,0,0,0|0,0,0]=2 499 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [0,2,0,0,0,0|0,0,0]=2 500 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [0,2,0,0,0,0|0,0,0]=2 501 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [0,2,0,0,0,0|1,0,0]=3 503 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,2,0,0,0,0|2,0,0]=4 505 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,2,0,0,0,0|2,0,0]=4 506 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.24 C[N+](C)(C)CC(=O)CF 1458a_100000033712_100015361967 [0,2,0,0,0,0|0,0,0]=2 508 B8R0.24 C[Si](C)(C)CC(=O)CF 1458a_100011218504_100015361967 [0,2,0,0,0,0|1,0,0]=3 509 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [0,2,0,0,0,0|1,0,0]=3 510 B8R0.25 C#CC(C)(C)NCC=O 34a_100000054563_200009817547 [0,2,0,0,0,0|1,0,1]=4 511 B8R0.25 C#CC(C)(C)OCC=O 34a_100000189450_200009817547 [0,2,0,0,0,0|1,0,1]=4 512 B8R0.25 C#CC(C)(C)OCC=O 7a_100000189450_200015260668 [0,2,0,0,0,0|1,0,1]=4 513 B8R0.25 C#CC(C)(C)SCC=O 62a_100000038118_200015260668 [0,2,0,0,0,0|1,0,1]=4 514 B8R0.25 C#CC(C)(C)SCC=O 62a_200015260668_100000038118 [0,2,0,0,0,0|1,0,1]=4 515 B8R0.25 C=CC(C)(C)OCC=O 34a_100011215311_200009817547 [0,2,0,0,0,0|1,0,1]=4 516 B8R0.25 C=CC(C)(C)OCC=O 7a_100011215311_200015260668 [0,2,0,0,0,0|1,0,1]=4 517 B8R0.25 C=CCNC(C)(C)CC 2230a_100000211385_100000210623 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.25 C=CCNC(C)(C)CO 2230a_100000210608_100000210623 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.25 C=CCOC(C)(C)CC 7a_100000210230_100015514636 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.25 C=CCOC(C)(C)CCl 7a_100000764493_100015514636 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.25 C=CCSC(C)(C)CC 62a_100000032637_100000210623 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.25 C=CCSC(C)(C)CC 62a_100000210623_100000032637 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.25 CC(C)(C#N)OCC=O 34a_200015195151_200009817547 [0,2,0,0,0,0|1,0,1]=4 524 B8R0.25 CC(C)(C#N)SCC=O 62a_100011162410_200015260668 [0,2,0,0,0,0|1,0,1]=4 525 B8R0.25 CC(C)(C#N)SCC=O 62a_200015260668_100011162410 [0,2,0,0,0,0|1,0,1]=4 526 B8R0.25 CC(C)(CCl)OCC=O 7a_100000764493_200015260668 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.25 CC(C)(CO)NCC=O 2230a_100000210608_200015260668 [0,2,0,0,0,0|1,0,0]=3 528 B8R0.25 CCC(C)(C)NCC=O 2230a_100000211385_200015260668 [0,2,0,0,0,0|1,0,0]=3 529 B8R0.25 CCC(C)(C)OCC=O 7a_100000210230_200015260668 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [0,2,0,0,0,0|1,0,0]=3 531 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,2,0,0,0,0|2,0,0]=4 538 B8R0.29 C=C(F)CNC(C)(C)C 2230a_100000715429_100009893438 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.29 C=C(F)COC(C)(C)C 34a_100015890283_100009893438 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.29 C=C(F)COC(C)(C)C 34a_200010262243_100000210625 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.29 C=C(F)COC(C)(C)C 7a_100015890283_100000042424 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000042424_100000211941 [0,2,0,0,0,0|2,0,0]=4 543 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000211941_100000042424 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,2,0,0,0,0|1,0,1]=4 545 B8R0.29 CC(=O)C#C[Si](C)(C)C 1458a_100000039808_200000210301 [0,2,0,0,0,0|1,0,1]=4 546 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,2,0,0,0,0|1,0,0]=3 547 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,2,0,0,0,0|1,0,0]=3 548 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,2,0,0,0,0|0,0,0]=2 549 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,2,0,0,0,0|1,0,0]=3 550 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,2,0,0,0,0|1,0,0]=3 551 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,2,0,0,0,0|1,0,0]=3 552 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,2,0,0,0,0|1,0,0]=3 553 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,2,0,0,0,0|1,0,0]=3 554 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,2,0,0,0,0|1,0,0]=3 555 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,2,0,0,0,0|1,0,0]=3 557 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,2,0,0,0,0|2,0,0]=4 558 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,2,0,0,0,0|2,0,0]=4 562 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,2,0,0,0,0|1,0,0]=3 565 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,2,0,0,0,0|1,0,0]=3 566 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,2,0,0,0,0|1,0,0]=3 567 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,2,0,0,0,0|1,0,0]=3 568 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,2,0,0,0,0|2,0,0]=4 569 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,2,0,0,0,0|1,0,1]=4 570 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,2,0,0,0,0|1,0,0]=3 571 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,2,0,0,0,0|1,0,0]=3 572 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,2,0,0,0,0|1,0,0]=3 573 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,2,0,0,0,0|1,0,0]=3 574 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,2,0,0,0,0|1,0,0]=3 575 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,2,0,0,0,0|1,0,0]=3 576 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,2,0,0,0,0|1,0,0]=3 577 B8R0.29 CC(C)(C)OC[N+](=O)[O-] 34a_100015890283_100000761209 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,2,0,0,0,0|1,0,0]=3 580 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,2,0,0,0,0|1,0,0]=3 581 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,2,0,0,0,0|1,0,0]=3 582 B8R0.29 CC(C)(C)SC[N+](=O)[O-] 62a_100000211941_100000761209 [0,2,0,0,0,0|2,0,0]=4 583 B8R0.29 CC(C)SC[N+](C)(C)C 62a_100000210206_200000036245 [0,2,0,0,0,0|1,0,1]=4 584 B8R0.29 CC(C)SC[N+](C)(C)C 62a_200000036245_100000210206 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.29 CN(C)CC[N+](C)(C)C 269982a_100102631434_100000085578 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.29 C[Si](C)(C)C#CC(=O)[13CH3] 1458a_100000039808_200025704644 [0,2,0,0,0,0|1,0,1]=4 587 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,2,0,0,0,0|1,0,0]=3 588 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 589 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 590 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 591 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,2,0,0,0,0|1,0,0]=3 592 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,2,0,0,0,0|1,0,0]=3 593 B8R0.34 C=C[Si](C)(C)CC(=O)C 1458a_100000070787_100000038793 [0,2,0,0,0,0|1,0,1]=4 594 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,2,0,0,0,0|1,0,0]=3 595 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,2,0,0,0,0|2,0,0]=4 596 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,2,0,0,0,0|2,0,0]=4 597 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,2,0,0,0,0|1,0,0]=3 600 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,2,0,0,0,0|1,0,0]=3 601 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 603 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,2,0,0,0,0|2,0,0]=4 604 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,2,0,0,0,0|2,0,0]=4 605 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,2,0,0,0,0|2,0,0]=4 606 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,2,0,0,0,0|2,0,0]=4 607 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,2,0,0,0,0|1,0,0]=3 608 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,2,0,0,0,0|1,0,0]=3 609 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,2,0,0,0,0|2,0,0]=4 611 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,2,0,0,0,0|2,0,0]=4 612 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,2,0,0,0,0|2,0,0]=4 613 B8R0.30 C=CCC(C)(C)OCF 7a_100011995686_100015361967 [0,2,0,0,0,0|2,0,0]=4 614 B8R0.30 C=CC[Si](C)(C)CNC 2230a_106832991635_100000046978 [0,2,0,0,0,0|2,0,0]=4 615 B8R0.30 C=CC[Si](C)(C)CNC 7a_106832991635_100000046978 [0,2,0,0,0,0|2,0,0]=4 616 B8R0.30 C=CC[Si](C)(C)CSC 62a_100000046978_200000210301 [0,2,0,0,0,0|2,0,0]=4 617 B8R0.30 C=CC[Si](C)(C)CSC 62a_200000210301_100000046978 [0,2,0,0,0,0|2,0,0]=4 618 B8R0.30 C=CC[Si](C)(C)CS[13CH3] 62a_100000046978_200025704644 [0,2,0,0,0,0|2,0,0]=4 619 B8R0.30 C=CC[Si](C)(C)CS[13CH3] 62a_200025704644_100000046978 [0,2,0,0,0,0|2,0,0]=4 620 B8R0.30 CNC[N+](C)(C)CCO 7a_106832991635_200010270792 [0,2,0,0,0,0|0,0,2]=4 621 B8R0.30 CSC[N+](C)(C)CCO 62a_200000210301_200010270792 [0,2,0,0,0,0|0,0,2]=4 622 B8R0.30 CSC[N+](C)(C)CCO 62a_200010270792_200000210301 [0,2,0,0,0,0|0,0,2]=4 623 B8R0.30 C[N+](C)(CCO)CS[13CH3] 62a_200010270792_200025704644 [0,2,0,0,0,0|0,0,2]=4 624 B8R0.30 C[N+](C)(CCO)CS[13CH3] 62a_200025704644_200010270792 [0,2,0,0,0,0|0,0,2]=4 625 B8R0.31 C=CCC(C)(CC)OC 7a_200011216962_200000210301 [0,2,0,0,0,0|2,0,0]=4 626 B8R0.31 C=CCC(C)(CC)O[13CH3] 7a_200011216962_200025704644 [0,2,0,0,0,0|2,0,0]=4 627 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,1,0,0|1,0,1]=4 628 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,1,0,0|1,0,1]=4 629 B8R1.41 C=CCNC1(CC1)C 2230a_100000757604_100000210623 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.41 C=CCOC1(CC1)C 7a_100011725673_100015514636 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.41 CC1(CC1)NCC=O 2230a_100000757604_200015260668 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.41 CC1(CC1)OCC=O 7a_100011725673_200015260668 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,1,0,1,0,0|1,0,0]=3