0 B7R0.11 C#CC(C)(C)NCC 34a_100000054563_100000210202 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.11 C#CC(C)(C)SCC 62a_100000038118_100000210202 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.11 C#CC(C)(C)SCC 62a_100000210202_100000038118 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.11 C#CC(C)(C)SCF 62a_100000038118_100015361967 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.11 C#CC(C)(C)SCF 62a_100015361967_100000038118 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,0,0,0,0,0|2,1,0]=3 9 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,0,0,0,0,0|2,1,0]=3 10 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,0,0,0,0,0|3,1,0]=4 11 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,0,0,0,0,0|3,1,0]=4 12 B7R0.11 C=CC(F)(F)SCC 62a_100000210202_100009814244 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.11 C=CC(F)(F)SCC 62a_100009814244_100000210202 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.11 C=C[Si](C)(C)CNC 2230a_106832991635_100000038793 [0,0,0,0,0,0|3,1,0]=4 15 B7R0.11 C=C[Si](C)(C)CSC 62a_100000038793_200000210301 [0,0,0,0,0,0|2,1,0]=3 16 B7R0.11 C=C[Si](C)(C)CSC 62a_200000210301_100000038793 [0,0,0,0,0,0|2,1,0]=3 17 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_100000038793_200025704644 [0,0,0,0,0,0|2,1,0]=3 18 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_200025704644_100000038793 [0,0,0,0,0,0|2,1,0]=3 19 B7R0.11 CC(C)(C#N)SCF 62a_100011162410_100015361967 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.11 CC(C)(C#N)SCF 62a_100015361967_100011162410 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,0,0,0,0,0|2,1,1]=4 22 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,0,0,0,0,0|2,1,1]=4 26 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,0,0,0,0,0|2,1,1]=4 27 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,0,0,0,0,0|2,1,1]=4 34 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,0,0,0,0,0|2,1,1]=4 35 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,0,0,0,0,0|2,1,1]=4 36 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,0,0,0,0,0|2,1,1]=4 37 B7R0.11 CCSC(C)(C)C#N 62a_100000210202_100011162410 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.11 CCSC(C)(C)C#N 62a_100011162410_100000210202 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,0,0,0,0,0|2,0,1]=3 41 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,0,0,0,0,0|3,1,0]=4 42 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,0,0,0,0,0|2,0,2]=4 46 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,0,0,0,0,0|4,0,0]=4 48 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,0,0,0,0,0|2,1,1]=4 56 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,0,0,0,0,0|1,1,2]=4 57 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,0,0,0,0,0|3,1,0]=4 58 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,0,0,0,0,0|3,1,0]=4 59 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,0,0,0,0,0|1,0,2]=3 60 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,0,0,0,0,0|3,0,0]=3 62 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,0,0,0,0,0|2,1,0]=4 65 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,0,0,0,0,0|2,1,0]=4 66 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,0,0,0,0,0|2,1,0]=4 67 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,0,0,0,0,0|2,1,0]=4 68 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,0,0,0,0|2,1,0]=4 69 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,0,0,0,0|1,0,2]=4 88 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|1,0,2]=4 97 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,0,0,0,0,0|2,1,0]=4 104 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,0,0,0,0,0|1,1,1]=4 111 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,0,0,0,0,0|1,1,1]=4 112 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,0,0,0,0,0|1,1,1]=4 113 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,0,0,0,0,0|1,1,1]=4 124 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,0,0,0,0,0|2,1,0]=4 125 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,0,0,0,0,0|2,1,0]=4 126 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,0,0,0,0,0|1,1,1]=4 127 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,0,0,0,0,0|1,0,1]=3 128 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,0,0,0,0,0|1,0,1]=3 129 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,0,0,0,0,0|1,0,1]=3 132 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,0,0,0,0,0|1,0,1]=3 133 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [1,0,0,0,0,0|1,1,1]=4 136 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [1,0,0,0,0,0|1,1,1]=4 137 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [1,0,0,0,0,0|1,1,1]=4 140 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [1,0,0,0,0,0|1,1,1]=4 141 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [1,0,0,0,0,0|1,1,1]=4 145 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [1,0,0,0,0,0|1,1,1]=4 146 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [1,0,0,0,0,0|1,1,1]=4 147 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [1,0,0,0,0,0|1,1,1]=4 148 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [1,0,0,0,0,0|1,1,1]=4 149 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [1,0,0,0,0,0|1,0,1]=3 150 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [1,0,0,0,0,0|1,0,1]=3 151 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [1,0,0,0,0,0|1,0,1]=3 152 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [1,0,0,0,0,0|1,0,1]=3 153 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,0,0,0,0,0|1,1,0]=3 154 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,0,0,0,0,0|1,1,0]=3 155 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,0,0,0,0,0|1,1,0]=3 156 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,0,0,0,0,0|1,1,0]=3 157 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [1,0,0,0,0,0|1,1,1]=4 162 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [1,0,0,0,0,0|1,0,1]=3 163 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [1,0,0,0,0,0|1,0,1]=3 164 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [1,0,0,0,0,0|1,1,1]=4 165 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,0,0,0,0,0|1,1,1]=4 170 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,0,0,0,0,0|1,1,1]=4 171 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,0,0,0,0,0|1,0,1]=3 172 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,0,0,0,0,0|1,0,1]=3 173 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,0,0,0,0,0|1,0,1]=3 174 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,0,0,0,0,0|1,0,1]=3 175 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [1,0,0,0,0,0|2,0,1]=4 177 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,0,0,0,0,0|1,0,2]=4 178 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [1,0,0,0,0,0|1,1,1]=4 179 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [1,0,0,0,0,0|1,1,1]=4 180 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [1,0,0,0,0,0|1,1,1]=4 181 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [1,0,0,0,0,0|1,0,1]=3 182 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [1,0,0,0,0,0|1,0,1]=3 183 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,1,0,0,0,0|2,1,0]=4 186 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,1,0,0,0,0|2,1,0]=4 187 B8R0.12 CC(=O)C(C)(C)SCF 62a_100000075568_100015361967 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.12 CC(=O)C(C)(C)SCF 62a_100015361967_100000075568 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,1,0,0,0,0|2,0,0]=3 192 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 34a_100000032158_200025704644 [0,1,0,0,0,0|2,1,0]=4 193 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 7a_100000032158_200025704644 [0,1,0,0,0,0|2,1,0]=4 194 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,1,0,0,0,0|1,0,0]=2 195 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,1,0,0,0,0|1,0,0]=2 196 B8R0.12 CC(C)(NCF)C(=O)N 34a_100000743658_100015361967 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.12 CC(C)(OCF)C(=O)N 34a_100011626353_100015361967 [0,1,0,0,0,0|2,1,0]=4 198 B8R0.12 CC(C)(OCF)C(=O)N 7a_100011626353_100015361967 [0,1,0,0,0,0|2,1,0]=4 199 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,1,0,0,0,0|1,1,0]=3 200 B8R0.12 CC(C)(SCF)C(=O)N 62a_100000702505_100015361967 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.12 CC(C)(SCF)C(=O)N 62a_100015361967_100000702505 [0,1,0,0,0,0|2,0,0]=3 202 B8R0.12 CC(C)(SCF)[N+](=O)[O-] 62a_100015361967_200009813997 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.12 CC(C)(SCF)[N+](=O)[O-] 62a_200009813997_100015361967 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,1,0,0,0,0|2,0,0]=3 207 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,0,0,0,0|1,1,0]=3 210 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,0,0,0,0|1,1,0]=3 211 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,0,0,0,0|1,1,0]=3 212 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,0,0,0,0|1,1,0]=3 213 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,0,0,0,0|1,1,0]=3 214 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,0,0,0,0|1,1,0]=3 215 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,0,0,0,0|1,1,0]=3 216 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,0,0,0,0|1,0,0]=2 218 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,1,0,0,0,0|1,0,0]=2 219 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.12 CCSC(C)(C)N(C)C 62a_100000210202_217856628674 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.12 CCSC(C)(C)N(C)C 62a_217856628674_100000210202 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_100000210202_200009813997 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210202 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,1,0,0,0,0|2,0,0]=3 230 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,1,0,0,0,0|2,0,0]=3 231 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,1,0,0,0,0|2,0,0]=3 232 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,1,0,0,0,0|1,1,0]=3 233 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,1,0,0,0,0|1,1,0]=3 234 B8R0.12 COCC(C)(C)[N+](=O)[O-] 34a_100000032158_200000210301 [0,1,0,0,0,0|2,1,0]=4 235 B8R0.12 COCC(C)(C)[N+](=O)[O-] 7a_100000032158_200000210301 [0,1,0,0,0,0|2,1,0]=4 236 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,1,0,0,0,0|1,0,0]=2 237 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,1,0,0,0,0|1,0,0]=2 238 B8R0.13 C=CC(C)(C)C(=O)CC 1458a_100012027013_100000210202 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.13 C=CC(C)(C)C(=O)NC 11a_106832991635_100012027013 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.13 C=CC(C)(C)C(=O)NC 1626a_100102657272_100012027013 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.13 C=CC(C)(C)C(=O)NC 240690a_100102657272_100012027013 [0,1,0,0,0,0|3,0,0]=4 242 B8R0.13 C=CC(C)(C)C(=O)NC 527a_100102657272_100012027013 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.25 C#CC(C)(C)NCSC 34a_100000054563_100011218213 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.25 C#CC(C)(C)OCSC 34a_100000189450_100011218213 [0,1,0,0,0,0|1,1,1]=4 245 B8R0.25 C#CC(C)(C)SCCC 62a_100000038118_100000210303 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.25 C#CC(C)(C)SCCC 62a_100000210303_100000038118 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.25 C#CC(C)(C)SCCF 62a_100000038118_100011217306 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.25 C#CC(C)(C)SCCF 62a_100011217306_100000038118 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.25 C#CC(C)(C)SCCO 62a_100000038118_100000211926 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.25 C#CC(C)(C)SCCO 62a_100000211926_100000038118 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.25 C#CC(C)(C)SCOC 62a_100000038118_100000766300 [0,1,0,0,0,0|1,1,1]=4 252 B8R0.25 C#CC(C)(C)SCOC 62a_100000766300_100000038118 [0,1,0,0,0,0|1,1,1]=4 253 B8R0.25 C#CC(C)(C)SCSC 62a_100000038118_100011218213 [0,1,0,0,0,0|1,0,1]=3 254 B8R0.25 C#CC(C)(C)SCSC 62a_100011218213_100000038118 [0,1,0,0,0,0|1,0,1]=3 255 B8R0.25 C=CC(C)(C)OCCC 34a_100011215311_100000210303 [0,1,0,0,0,0|2,1,0]=4 256 B8R0.25 C=CC(C)(C)OCCC 7a_100011215311_100000210303 [0,1,0,0,0,0|2,1,0]=4 257 B8R0.25 C=CC(C)(C)OCCF 34a_100011215311_100011217306 [0,1,0,0,0,0|2,1,0]=4 258 B8R0.25 C=CC(C)(C)OCCF 7a_100011215311_100011217306 [0,1,0,0,0,0|2,1,0]=4 259 B8R0.25 C=CC(C)(C)OCCO 34a_100011215311_100000211926 [0,1,0,0,0,0|2,1,0]=4 260 B8R0.25 C=CC(C)(C)OCCO 7a_100011215311_100000211926 [0,1,0,0,0,0|2,1,0]=4 261 B8R0.25 C=CC(C)(C)OCSC 34a_100011215311_100011218213 [0,1,0,0,0,0|1,1,0]=3 262 B8R0.25 C=CC(F)(F)SCSC 62a_100009814244_100011218213 [0,1,0,0,0,0|3,0,0]=4 263 B8R0.25 C=CC(F)(F)SCSC 62a_100011218213_100009814244 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.25 C=C[Si](C)(C)CSCC 62a_100000038793_100000210202 [0,1,0,0,0,0|2,1,0]=4 265 B8R0.25 C=C[Si](C)(C)CSCC 62a_100000210202_100000038793 [0,1,0,0,0,0|2,1,0]=4 266 B8R0.25 C=C[Si](C)(C)CSCF 62a_100000038793_100015361967 [0,1,0,0,0,0|2,1,0]=4 267 B8R0.25 C=C[Si](C)(C)CSCF 62a_100015361967_100000038793 [0,1,0,0,0,0|2,1,0]=4 268 B8R0.25 CC(C)(C#N)SCCF 62a_100011162410_100011217306 [0,1,0,0,0,0|2,0,1]=4 269 B8R0.25 CC(C)(C#N)SCCF 62a_100011217306_100011162410 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.25 CC(C)(C#N)SCCO 62a_100000211926_100011162410 [0,1,0,0,0,0|2,0,1]=4 271 B8R0.25 CC(C)(C#N)SCCO 62a_100011162410_100000211926 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.25 CC(C)(CO)CSCF 62a_100009813988_100015361967 [0,1,0,0,0,0|1,0,2]=4 273 B8R0.25 CC(C)(CO)CSCF 62a_100015361967_100009813988 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.25 CCC(C)(C)NCSC 2230a_100000211385_100011218213 [0,1,0,0,0,0|2,0,1]=4 275 B8R0.25 CCC(C)(C)SCCF 62a_100000032637_100011217306 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.25 CCC(C)(C)SCCF 62a_100011217306_100000032637 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.25 CCC(C)(C)SCCO 62a_100000032637_100000211926 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.25 CCC(C)(C)SCCO 62a_100000211926_100000032637 [0,1,0,0,0,0|2,0,1]=4 279 B8R0.25 CCC(C)(C)SCOC 62a_100000032637_100000766300 [0,1,0,0,0,0|1,1,1]=4 280 B8R0.25 CCC(C)(C)SCOC 62a_100000766300_100000032637 [0,1,0,0,0,0|1,1,1]=4 281 B8R0.25 CCC(C)(C)SCSC 62a_100000032637_100011218213 [0,1,0,0,0,0|1,0,1]=3 282 B8R0.25 CCC(C)(C)SCSC 62a_100011218213_100000032637 [0,1,0,0,0,0|1,0,1]=3 283 B8R0.25 CCCSC(C)(C)C#N 62a_100000210303_100011162410 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.25 CCCSC(C)(C)C#N 62a_100011162410_100000210303 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.25 CCSCC(C)(C)CO 62a_100000210202_100009813988 [0,1,0,0,0,0|1,0,2]=4 288 B8R0.25 CCSCC(C)(C)CO 62a_100009813988_100000210202 [0,1,0,0,0,0|1,0,2]=4 289 B8R0.25 CCSCC(C)(C)OC 62a_100000210202_100000701081 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.25 CCSCC(C)(C)OC 62a_100000701081_100000210202 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.25 COC(C)(C)CSCF 62a_100000701081_100015361967 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.25 COC(C)(C)CSCF 62a_100015361967_100000701081 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.25 COCSC(C)(C)C#N 62a_100000766300_100011162410 [0,1,0,0,0,0|1,1,1]=4 294 B8R0.25 COCSC(C)(C)C#N 62a_100011162410_100000766300 [0,1,0,0,0,0|1,1,1]=4 295 B8R0.25 CSCNC(C)(C)CO 2230a_100000210608_100011218213 [0,1,0,0,0,0|1,0,2]=4 296 B8R0.25 CSCOC(C)(C)C#N 34a_200015195151_100011218213 [0,1,0,0,0,0|1,1,1]=4 297 B8R0.25 CSCSC(C)(C)C#N 62a_100011162410_100011218213 [0,1,0,0,0,0|1,0,1]=3 298 B8R0.25 CSCSC(C)(C)C#N 62a_100011218213_100011162410 [0,1,0,0,0,0|1,0,1]=3 299 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,1,0,0,0,0|2,1,0]=4 300 B8R0.30 C=CC[Si](C)(C)CSC 62a_100000046978_200000210301 [0,1,0,0,0,0|2,1,0]=4 301 B8R0.30 C=CC[Si](C)(C)CSC 62a_200000210301_100000046978 [0,1,0,0,0,0|2,1,0]=4 302 B8R0.30 C=CC[Si](C)(C)CS[13CH3] 62a_100000046978_200025704644 [0,1,0,0,0,0|2,1,0]=4 303 B8R0.30 C=CC[Si](C)(C)CS[13CH3] 62a_200025704644_100000046978 [0,1,0,0,0,0|2,1,0]=4 304 B8R0.30 CCNC(C)(C)CSC 2230a_100000759623_100000210202 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.30 CCNC(C)(C)CSC 7a_100000759623_100000210202 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.30 CSCC(C)(C)NCF 7a_100000759623_100015361967 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.31 CCSC(C)(CC)CC 62a_100000210202_100009817345 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.31 CCSC(C)(CC)CC 62a_100009817345_100000210202 [0,1,0,0,0,0|2,0,1]=4 309 B8R0.31 COC(C)(CSC)OC 62a_100000766008_200000210301 [0,1,0,0,0,0|3,0,0]=4 310 B8R0.31 COC(C)(CSC)OC 62a_200000210301_100000766008 [0,1,0,0,0,0|3,0,0]=4 311 B8R0.31 COC(C)(CS[13CH3])OC 62a_100000766008_200025704644 [0,1,0,0,0,0|3,0,0]=4 312 B8R0.31 COC(C)(CS[13CH3])OC 62a_200025704644_100000766008 [0,1,0,0,0,0|3,0,0]=4 313 B8R0.34 C#CC(C)(C)SC(C)C 62a_100000038118_100000210206 [0,1,0,0,0,0|2,0,1]=4 314 B8R0.34 C#CC(C)(C)SC(C)C 62a_100000210206_100000038118 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.34 C=CC(C)(C)OC(C)C 34a_100011215311_100000210206 [0,1,0,0,0,0|2,1,0]=4 316 B8R0.34 C=CC(C)(C)OC(C)C 7a_100011215311_100000210206 [0,1,0,0,0,0|2,1,0]=4 317 B8R0.34 CC(C)SC(C)(C)C#N 62a_100000210206_100011162410 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.34 CC(C)SC(C)(C)C#N 62a_100011162410_100000210206 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.34 CCC(C)(C)SC(C)C 62a_100000032637_100000210206 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.34 CCC(C)(C)SC(C)C 62a_100000210206_100000032637 [0,1,0,0,0,0|2,0,1]=4 321 B8R1.19 CC1(SCCN1[13CH3])C 2230a_100011217261_200025704644 [0,0,0,1,0,0|3,0,0]=4 322 B8R1.19 CC1(SCCN1[13CH3])C 269982a_100011217261_200025704644 [0,0,0,1,0,0|3,0,0]=4 323 B8R1.19 CC1(SCCN1[13CH3])C 34a_100011217261_200025704644 [0,0,0,1,0,0|3,0,0]=4 324 B8R1.19 CN1CCSC1(C)C 2230a_100011217261_200000210301 [0,0,0,1,0,0|3,0,0]=4 325 B8R1.19 CN1CCSC1(C)C 269982a_100011217261_200000210301 [0,0,0,1,0,0|3,0,0]=4 326 B8R1.19 CN1CCSC1(C)C 34a_100011217261_200000210301 [0,0,0,1,0,0|3,0,0]=4 327 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,0,0,1,0,0|2,0,1]=4 328 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,0,0,1,0,0|2,0,1]=4 329 B8R1.66 CC1(COC1)CS[13CH3] 62a_100009817586_200025704644 [0,0,0,1,0,0|1,0,2]=4 330 B8R1.66 CC1(COC1)CS[13CH3] 62a_200025704644_100009817586 [0,0,0,1,0,0|1,0,2]=4 331 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,0,0,1,0,0|2,0,1]=4 332 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,0,0,1,0,0|2,0,1]=4 333 B8R1.66 CSCC1(COC1)C 62a_100009817586_200000210301 [0,0,0,1,0,0|1,0,2]=4 334 B8R1.66 CSCC1(COC1)C 62a_200000210301_100009817586 [0,0,0,1,0,0|1,0,2]=4 335 B8R1.82 CCSC1(CC1)C#N 62a_100000210202_100009889376 [0,0,0,1,0,0|2,0,1]=4 336 B8R1.82 CCSC1(CC1)C#N 62a_100009889376_100000210202 [0,0,0,1,0,0|2,0,1]=4 337 B8R1.82 CSCC1(CC1)C#N 62a_100000695377_200000210301 [0,0,0,1,0,0|2,0,1]=4 338 B8R1.82 CSCC1(CC1)C#N 62a_200000210301_100000695377 [0,0,0,1,0,0|2,0,1]=4 339 B8R1.82 [13CH3]SCC1(CC1)C#N 62a_100000695377_200025704644 [0,0,0,1,0,0|2,0,1]=4 340 B8R1.82 [13CH3]SCC1(CC1)C#N 62a_200025704644_100000695377 [0,0,0,1,0,0|2,0,1]=4 341 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|1,0,1]=4 344 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,1,0]=4 348 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,0]=3 349 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,0]=3 350 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,1,0]=4 358 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,1,0]=4 359 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,0,0]=3 360 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,0,0]=3 361 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,1,0]=4 368 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,1,0]=4 369 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,0]=3 373 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|1,0,1]=4 374 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|1,0,1]=4 378 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|1,0,1]=4 379 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|1,0,1]=4 380 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|1,0,1]=4 381 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 385 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|2,0,0]=4 386 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,1,0]=4 389 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 390 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [2,0,0,0,0,0|1,0,1]=4 394 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [2,0,0,0,0,0|1,0,1]=4 395 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [2,0,0,0,0,0|1,1,0]=4 396 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [2,0,0,0,0,0|1,1,0]=4 397 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [2,0,0,0,0,0|1,0,0]=3 399 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [2,0,0,0,0,0|1,0,1]=4 400 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [2,0,0,0,0,0|1,0,1]=4 401 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|0,0,2]=4 402 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|1,0,1]=4 403 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|1,0,1]=4 404 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|1,0,1]=4 405 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|1,0,1]=4 406 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [2,0,0,0,0,0|1,0,1]=4 411 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [2,0,0,0,0,0|1,0,1]=4 412 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|0,0,2]=4 413 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|0,0,2]=4 414 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|0,0,2]=4 415 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|0,0,2]=4 416 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|0,0,2]=4 417 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [2,0,0,0,0,0|1,0,1]=4 418 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [2,0,0,0,0,0|0,1,1]=4 419 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [2,0,0,0,0,0|0,1,1]=4 420 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [2,0,0,0,0,0|0,0,1]=3 421 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [2,0,0,0,0,0|0,0,1]=3 422 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [2,0,0,0,0,0|0,1,1]=4 425 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [2,0,0,0,0,0|0,1,1]=4 426 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [2,0,0,0,0,0|0,1,1]=4 427 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [2,0,0,0,0,0|0,0,1]=3 428 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [2,0,0,0,0,0|0,0,1]=3 429 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.3 C#CC(C)SCSC 62a_200000035995_100011218213 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [1,1,0,0,0,0|1,1,0]=4 432 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [1,1,0,0,0,0|1,1,0]=4 436 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [1,1,0,0,0,0|1,0,0]=3 437 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.3 CSCSC(C)C#N 62a_100000703298_100011218213 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.3 CSCSC(C)C#N 62a_100011218213_100000703298 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,1,0,0,0,0|0,0,2]=4 444 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,1,0,0,0,0|0,0,2]=4 445 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,1,0,0,0,0|0,0,2]=4 446 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|1,1,0]=4 447 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|1,1,0]=4 448 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|2,0,0]=4 451 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,1,0,0,0,0|2,0,0]=4 458 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|1,1,0]=4 462 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|1,1,0]=4 463 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|1,1,0]=4 464 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|1,1,0]=4 465 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|1,1,0]=4 466 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|1,1,0]=4 467 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|1,1,0]=4 468 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,1,0,0,0,0|2,0,0]=4 476 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|1,1,0]=4 480 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|1,1,0]=4 481 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|1,1,0]=4 482 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|1,1,0]=4 483 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|1,1,0]=4 484 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|1,0,0]=3 485 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|1,0,0]=3 486 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.8 CC(C)(C)CSCF 62a_100011219605_100015361967 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.8 CC(C)(C)CSCF 62a_100015361967_100011219605 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [1,1,0,0,0,0|1,0,1]=4 494 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.8 CC(C)(F)CSCF 62a_100011997219_100015361967 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.8 CC(C)(F)CSCF 62a_100015361967_100011997219 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [1,1,0,0,0,0|1,0,1]=4 510 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [1,1,0,0,0,0|0,1,1]=4 511 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [1,1,0,0,0,0|0,1,1]=4 512 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [1,1,0,0,0,0|0,1,1]=4 518 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [1,1,0,0,0,0|0,0,1]=3 519 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [1,1,0,0,0,0|0,0,1]=3 520 B7R0.9 CC(C)SC(C)(C)C 62a_100000210206_100000211941 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.9 CC(C)SC(C)(C)C 62a_100000211941_100000210206 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [1,1,0,0,0,0|1,0,1]=4 523 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [1,1,0,0,0,0|1,0,1]=4 524 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [1,1,0,0,0,0|1,1,0]=4 530 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [1,1,0,0,0,0|0,1,0]=3 531 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [1,1,0,0,0,0|0,1,0]=3 532 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [1,1,0,0,0,0|0,0,0]=2 533 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [1,1,0,0,0,0|0,0,0]=2 534 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [1,1,0,0,0,0|1,1,0]=4 537 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [1,1,0,0,0,0|1,0,0]=3 538 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [1,1,0,0,0,0|0,1,0]=3 540 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [1,1,0,0,0,0|0,1,0]=3 541 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [1,1,0,0,0,0|0,0,0]=2 542 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [1,1,0,0,0,0|0,0,0]=2 543 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200009813997_200025704644 [1,1,0,0,0,0|1,0,0]=3 544 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200025704644_200009813997 [1,1,0,0,0,0|1,0,0]=3 545 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|1,0,0]=3 546 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|2,0,0]=4 548 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|2,0,0]=4 549 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_200025704644_217856628674 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_217856628674_200025704644 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [1,1,0,0,0,0|1,0,0]=3 552 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [1,1,0,0,0,0|1,0,0]=3 553 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [1,1,0,0,0,0|1,0,0]=3 554 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [1,1,0,0,0,0|1,0,0]=3 555 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [1,1,0,0,0,0|1,0,0]=3 556 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [1,1,0,0,0,0|1,0,0]=3 557 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [1,1,0,0,0,0|0,1,0]=3 558 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [1,1,0,0,0,0|0,1,0]=3 559 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [1,1,0,0,0,0|0,1,0]=3 560 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [1,1,0,0,0,0|0,1,0]=3 561 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [1,1,0,0,0,0|0,1,0]=3 562 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [1,1,0,0,0,0|0,1,0]=3 563 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [1,1,0,0,0,0|0,1,0]=3 564 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [1,1,0,0,0,0|0,0,0]=2 565 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [1,1,0,0,0,0|0,0,0]=2 566 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [1,1,0,0,0,0|0,0,0]=2 567 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [1,1,0,0,0,0|0,0,0]=2 568 B7R0.13 CSC(C)(C)N(C)C 62a_200000210301_217856628674 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.13 CSC(C)(C)N(C)C 62a_217856628674_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200000210301_200009813997 [1,1,0,0,0,0|1,0,0]=3 571 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200009813997_200000210301 [1,1,0,0,0,0|1,0,0]=3 572 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [1,1,0,0,0,0|1,0,1]=4 581 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [1,1,0,0,0,0|1,0,1]=4 582 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [1,1,0,0,0,0|1,0,1]=4 584 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [0,2,0,0,0,0|1,1,0]=4 585 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [0,2,0,0,0,0|1,1,0]=4 586 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000075568_100000210206 [0,2,0,0,0,0|1,0,0]=3 587 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000210206_100000075568 [0,2,0,0,0,0|1,0,0]=3 588 B9R0.11 CC(=O)NC(C)(C)C(=O)C 1458a_100000750020_200000210301 [0,2,0,0,0,0|2,0,0]=4 589 B9R0.11 CC(=O)NC(C)(C)C(=O)N 11a_100000743658_100015343762 [0,2,0,0,0,0|2,0,0]=4 590 B9R0.11 CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100015343762 [0,2,0,0,0,0|2,0,0]=4 591 B9R0.11 CC(=O)NC(C)(C)C(=O)N 527a_100000743658_100103153847 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.11 CC(=O)NC(C)(C)C(=O)[13CH3] 1458a_100000750020_200025704644 [0,2,0,0,0,0|2,0,0]=4 593 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [0,2,0,0,0,0|1,1,0]=4 594 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [0,2,0,0,0,0|1,1,0]=4 595 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000210206 [0,2,0,0,0,0|2,0,0]=4 596 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100138425928_100000702505 [0,2,0,0,0,0|2,0,0]=4 597 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100000743658_100000210206 [0,2,0,0,0,0|2,0,0]=4 598 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100138425928_100000702505 [0,2,0,0,0,0|2,0,0]=4 599 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100000212225_100000702505 [0,2,0,0,0,0|1,1,0]=4 600 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100011626353_100000210206 [0,2,0,0,0,0|1,1,0]=4 601 B9R0.11 CC(C)OC(C)(C)C(=O)N 7a_100011626353_100000210206 [0,2,0,0,0,0|1,1,0]=4 602 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000210206_100000702505 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000702505_100000210206 [0,2,0,0,0,0|1,0,0]=3 604 B9R0.11 CC(C)SC(C)(C)[N+](=O)[O-] 62a_100000210206_200009813997 [0,2,0,0,0,0|2,0,0]=4 605 B9R0.11 CC(C)SC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210206 [0,2,0,0,0,0|2,0,0]=4 606 B9R0.11 CN(C)CC(C)(C)C(=O)N 269982a_100102631434_200009895572 [0,2,0,0,0,0|2,0,0]=4 607 B9R0.28 CCN(C)C(C)(C)C(=O)C 269982a_100000225621_100000075568 [0,2,0,0,0,0|2,0,0]=4 608 B9R0.28 CCN(C)C(C)(C)C(=O)N 2230a_100000225621_100000702505 [0,2,0,0,0,0|2,0,0]=4 609 B9R0.28 CCN(C)C(C)(C)C(=O)N 269982a_100000225621_100000702505 [0,2,0,0,0,0|2,0,0]=4 610 B9R0.28 COC(=O)C(C)(C)C(=O)C 1458a_100012000394_200000210301 [0,2,0,0,0,0|1,1,0]=4 611 B9R0.28 COC(=O)C(C)(C)C(=O)[13CH3] 1458a_100012000394_200025704644 [0,2,0,0,0,0|1,1,0]=4 612 B9R0.51 C#CCSC(C)(C)C(=O)C 62a_100000038162_100000075568 [0,2,0,0,0,0|1,0,1]=4 613 B9R0.51 C#CCSC(C)(C)C(=O)N 62a_100000038162_100000702505 [0,2,0,0,0,0|1,0,1]=4 614 B9R0.51 C=CCSC(C)(C)C(=O)C 62a_100000075568_100000210623 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.51 C=CCSC(C)(C)C(=O)C 62a_100000210623_100000075568 [0,2,0,0,0,0|1,0,1]=4 616 B9R0.51 C=CCSC(C)(C)C(=O)N 62a_100000210623_100000702505 [0,2,0,0,0,0|1,0,1]=4 617 B9R0.51 C=CCSC(C)(C)C(=O)N 62a_100000702505_100000210623 [0,2,0,0,0,0|1,0,1]=4 618 B9R0.51 CC(=O)C(C)(C)OCCF 34a_100000747739_100011217306 [0,2,0,0,0,0|1,1,0]=4 619 B9R0.51 CC(=O)C(C)(C)OCCF 7a_100000747739_100011217306 [0,2,0,0,0,0|1,1,0]=4 620 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [0,2,0,0,0,0|1,1,0]=4 621 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [0,2,0,0,0,0|1,1,0]=4 622 B9R0.51 CC(=O)C(C)(C)SCC#N 62a_100000075568_100011215382 [0,2,0,0,0,0|1,0,1]=4 623 B9R0.51 CC(=O)C(C)(C)SCC#N 62a_100011215382_100000075568 [0,2,0,0,0,0|1,0,1]=4 624 B9R0.51 CC(=O)C(C)(C)SCC=O 62a_100000075568_200015260668 [0,2,0,0,0,0|1,0,1]=4 625 B9R0.51 CC(=O)C(C)(C)SCC=O 62a_200015260668_100000075568 [0,2,0,0,0,0|1,0,1]=4 626 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100000075568_100011217306 [0,2,0,0,0,0|1,0,0]=3 627 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100011217306_100000075568 [0,2,0,0,0,0|1,0,0]=3 628 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [0,2,0,0,0,0|1,0,0]=3 629 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [0,2,0,0,0,0|1,0,0]=3 630 B9R0.51 CC(C)(CNCF)C(=O)N 34a_100000740840_100015361967 [0,2,0,0,0,0|2,0,0]=4 631 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,2,0,0,0,0|2,0,0]=4 632 B9R0.51 CC(C)(CSCF)C(=O)N 62a_100015361967_200009895572 [0,2,0,0,0,0|1,0,0]=3 633 B9R0.51 CC(C)(CSCF)C(=O)N 62a_200009895572_100015361967 [0,2,0,0,0,0|1,0,0]=3 634 B9R0.51 CC(C)(NCCF)C(=O)N 2230a_100000743658_100011217306 [0,2,0,0,0,0|2,0,0]=4 635 B9R0.51 CC(C)(NCCF)C(=O)N 34a_100000724931_100000702505 [0,2,0,0,0,0|2,0,0]=4 636 B9R0.51 CC(C)(NCCF)C(=O)N 34a_100000743658_100011217306 [0,2,0,0,0,0|2,0,0]=4 637 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100000743658_100000211926 [0,2,0,0,0,0|2,0,0]=4 638 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100016997473_100000702505 [0,2,0,0,0,0|2,0,0]=4 639 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100000743658_100000211926 [0,2,0,0,0,0|2,0,0]=4 640 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100016990907_100000702505 [0,2,0,0,0,0|2,0,0]=4 641 B9R0.51 CC(C)(OCCBr)C(=O)N 34a_100000211926_100000702505 [0,2,0,0,0,0|1,1,0]=4 642 B9R0.51 CC(C)(OCCF)C(=O)N 34a_100011626353_100011217306 [0,2,0,0,0,0|1,1,0]=4 643 B9R0.51 CC(C)(OCCF)C(=O)N 7a_100011626353_100011217306 [0,2,0,0,0,0|1,1,0]=4 644 B9R0.51 CC(C)(OCCN)C(=O)N 34a_100000210304_100000702505 [0,2,0,0,0,0|1,1,0]=4 645 B9R0.51 CC(C)(OCCO)C(=O)N 34a_100011626353_100000211926 [0,2,0,0,0,0|1,1,0]=4 646 B9R0.51 CC(C)(OCCO)C(=O)N 7a_100011626353_100000211926 [0,2,0,0,0,0|1,1,0]=4 647 B9R0.51 CC(C)(ONCF)C(=O)O 269956a_100016989451_100015361967 [0,2,0,0,0,0|1,1,0]=4 648 B9R0.51 CC(C)(SCC#N)C(=O)N 62a_100000702505_100011215382 [0,2,0,0,0,0|1,0,1]=4 649 B9R0.51 CC(C)(SCC#N)C(=O)N 62a_100011215382_100000702505 [0,2,0,0,0,0|1,0,1]=4 650 B9R0.51 CC(C)(SCC=O)C(=O)N 62a_100000702505_200015260668 [0,2,0,0,0,0|1,0,1]=4 651 B9R0.51 CC(C)(SCC=O)C(=O)N 62a_200015260668_100000702505 [0,2,0,0,0,0|1,0,1]=4 652 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100000702505_100011217306 [0,2,0,0,0,0|1,0,0]=3 653 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100011217306_100000702505 [0,2,0,0,0,0|1,0,0]=3 654 B9R0.51 CC(C)(SCCF)[N+](=O)[O-] 62a_100011217306_200009813997 [0,2,0,0,0,0|2,0,0]=4 655 B9R0.51 CC(C)(SCCF)[N+](=O)[O-] 62a_200009813997_100011217306 [0,2,0,0,0,0|2,0,0]=4 656 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000211926_100000702505 [0,2,0,0,0,0|1,0,0]=3 657 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000702505_100000211926 [0,2,0,0,0,0|1,0,0]=3 658 B9R0.51 CC(C)(SCCO)[N+](=O)[O-] 62a_100000211926_200009813997 [0,2,0,0,0,0|2,0,0]=4 659 B9R0.51 CC(C)(SCCO)[N+](=O)[O-] 62a_200009813997_100000211926 [0,2,0,0,0,0|2,0,0]=4 660 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,2,0,0,0,0|2,0,0]=4 661 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,2,0,0,0,0|2,0,0]=4 662 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [0,2,0,0,0,0|2,0,0]=4 663 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [0,2,0,0,0,0|2,0,0]=4 664 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,2,0,0,0,0|1,1,0]=4 665 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,2,0,0,0,0|1,1,0]=4 666 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [0,2,0,0,0,0|1,1,0]=4 667 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [0,2,0,0,0,0|1,1,0]=4 668 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [0,2,0,0,0,0|1,1,0]=4 669 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,2,0,0,0,0|1,0,0]=3 670 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,2,0,0,0,0|1,0,0]=3 671 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,2,0,0,0,0|1,0,0]=3 672 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,2,0,0,0,0|1,0,0]=3 673 B9R0.51 CCCSC(C)(C)[N+](=O)[O-] 62a_100000210303_200009813997 [0,2,0,0,0,0|2,0,0]=4 674 B9R0.51 CCCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210303 [0,2,0,0,0,0|2,0,0]=4 675 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,2,0,0,0,0|2,0,0]=4 676 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,2,0,0,0,0|2,0,0]=4 677 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,2,0,0,0,0|2,0,0]=4 678 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [0,2,0,0,0,0|1,1,0]=4 679 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,2,0,0,0,0|1,1,0]=4 680 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,2,0,0,0,0|1,0,0]=3 681 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,2,0,0,0,0|1,0,0]=3 682 B9R0.51 COCNC(C)(C)C(=O)N 2230a_100000743658_100000766300 [0,2,0,0,0,0|1,1,0]=4 683 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000075568_100000766300 [0,2,0,0,0,0|0,1,0]=3 684 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000766300_100000075568 [0,2,0,0,0,0|0,1,0]=3 685 B9R0.51 COCSC(C)(C)C(=O)N 62a_100000702505_100000766300 [0,2,0,0,0,0|0,1,0]=3 686 B9R0.51 COCSC(C)(C)C(=O)N 62a_100000766300_100000702505 [0,2,0,0,0,0|0,1,0]=3 687 B9R0.51 COCSC(C)(C)[N+](=O)[O-] 62a_100000766300_200009813997 [0,2,0,0,0,0|1,1,0]=4 688 B9R0.51 COCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000766300 [0,2,0,0,0,0|1,1,0]=4 689 B9R0.51 CSCNC(C)(C)C(=O)N 2230a_100000743658_100011218213 [0,2,0,0,0,0|1,0,0]=3 690 B9R0.51 CSCNC(C)(C)C(=O)N 34a_100000743658_100011218213 [0,2,0,0,0,0|1,0,0]=3 691 B9R0.51 CSCOC(C)(C)C(=O)C 34a_100000747739_100011218213 [0,2,0,0,0,0|0,1,0]=3 692 B9R0.51 CSCOC(C)(C)C(=O)N 34a_100011626353_100011218213 [0,2,0,0,0,0|0,1,0]=3 693 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100000075568_100011218213 [0,2,0,0,0,0|0,0,0]=2 694 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100011218213_100000075568 [0,2,0,0,0,0|0,0,0]=2 695 B9R0.51 CSCSC(C)(C)C(=O)N 62a_100000702505_100011218213 [0,2,0,0,0,0|0,0,0]=2 696 B9R0.51 CSCSC(C)(C)C(=O)N 62a_100011218213_100000702505 [0,2,0,0,0,0|0,0,0]=2 697 B9R0.51 CSCSC(C)(C)N(C)C 62a_100011218213_217856628674 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.51 CSCSC(C)(C)N(C)C 62a_217856628674_100011218213 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.51 CSCSC(C)(C)[N+](=O)[O-] 62a_100011218213_200009813997 [0,2,0,0,0,0|1,0,0]=3 700 B9R0.51 CSCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100011218213 [0,2,0,0,0,0|1,0,0]=3 701 B9R0.51 CSCSC(F)(F)C(=O)N 62a_100009811971_100011218213 [0,2,0,0,0,0|2,0,0]=4 702 B9R0.51 CSCSC(F)(F)C(=O)N 62a_100011218213_100009811971 [0,2,0,0,0,0|2,0,0]=4 703 B9R0.51 CSCSC(F)(F)C(=O)[O-] 62a_100000745680_100011218213 [0,2,0,0,0,0|2,0,0]=4 704 B9R0.51 CSCSC(F)(F)C(=O)[O-] 62a_100011218213_100000745680 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,2,0,0,0,0|2,0,0]=4 707 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 710 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 711 B9R0.60 CCNC(C)(C)C(=O)NC 2230a_100015525214_100000732697 [0,2,0,0,0,0|2,0,0]=4 712 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,2,0,0,0,0|2,0,0]=4 713 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [0,2,0,0,0,0|1,1,0]=4 714 B9R0.60 CCOC(C)(C)C(=O)CF 1458a_100011458965_100015361967 [0,2,0,0,0,0|1,1,0]=4 715 B9R0.60 CCOC(C)(C)C(=O)NC 11a_106832991635_100011458965 [0,2,0,0,0,0|1,1,0]=4 716 B9R0.60 CCOC(C)(C)C(=O)NC 1626a_100102657272_100011458965 [0,2,0,0,0,0|1,1,0]=4 717 B9R0.60 CCOC(C)(C)C(=O)NC 240690a_100102657272_100011458965 [0,2,0,0,0,0|1,1,0]=4 718 B9R0.60 CCOC(C)(C)C(=O)NC 34a_100121572206_100000732697 [0,2,0,0,0,0|1,1,0]=4 719 B9R0.60 CCOC(C)(C)C(=O)NC 527a_100102657272_100011458965 [0,2,0,0,0,0|1,1,0]=4 720 B9R0.60 CCOC(C)(C)C(=O)NN 34a_100000061348_100000210202 [0,2,0,0,0,0|1,1,0]=4 721 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|1,1,0]=4 722 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|1,1,0]=4 723 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000210202_100000732697 [0,2,0,0,0,0|1,0,0]=3 724 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000732697_100000210202 [0,2,0,0,0,0|1,0,0]=3 725 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,2,0,0,0,0|1,0,0]=3 726 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,2,0,0,0,0|1,0,0]=3 727 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.60 CNC(=O)C(C)(C)COC 34a_100138415774_100000702813 [0,2,0,0,0,0|1,1,0]=4 730 B9R0.60 CNC(=O)C(C)(C)CSC 62a_100000702813_200000210301 [0,2,0,0,0,0|1,0,0]=3 731 B9R0.60 CNC(=O)C(C)(C)CSC 62a_200000210301_100000702813 [0,2,0,0,0,0|1,0,0]=3 732 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_100000702813_200025704644 [0,2,0,0,0,0|1,0,0]=3 733 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000702813 [0,2,0,0,0,0|1,0,0]=3 734 B9R0.60 CNC(=O)C(C)(C)SCF 62a_100000732697_100015361967 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.60 CNC(=O)C(C)(C)SCF 62a_100015361967_100000732697 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.60 CNCC(C)(C)C(=O)NC 34a_100102657272_100000702813 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,2,0,0,0,0|1,1,0]=4 738 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,2,0,0,0,0|1,1,0]=4 739 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,2,0,0,0,0|1,0,0]=3 740 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,2,0,0,0,0|1,0,0]=3 741 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,2,0,0,0,0|1,0,0]=3 742 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,2,0,0,0,0|1,0,0]=3 743 B9R0.60 COC(=O)C(C)(C)SCF 62a_100000689032_100015361967 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.60 COC(=O)C(C)(C)SCF 62a_100015361967_100000689032 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,2,0,0,0,0|1,1,0]=4 746 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,2,0,0,0,0|1,1,0]=4 747 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,2,0,0,0,0|2,0,0]=4 750 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.20 C#CC(C)(C)SCCSC 62a_100000038118_100000751147 [0,2,0,0,0,0|1,0,1]=4 752 B9R0.20 C#CC(C)(C)SCCSC 62a_100000212216_100000038118 [0,2,0,0,0,0|1,0,1]=4 753 B9R0.20 C=CC(C)(C)OCCSC 34a_100011215311_100000212216 [0,2,0,0,0,0|1,1,0]=4 754 B9R0.20 C=CC(C)(C)OCCSC 7a_100011215311_100000212216 [0,2,0,0,0,0|1,1,0]=4 755 B9R0.20 C=C[Si](C)(C)CSCSC 62a_100000038793_100011218213 [0,2,0,0,0,0|1,1,0]=4 756 B9R0.20 C=C[Si](C)(C)CSCSC 62a_100011218213_100000038793 [0,2,0,0,0,0|1,1,0]=4 757 B9R0.20 CCC(C)(C)SCCSC 62a_100000032637_100000751147 [0,2,0,0,0,0|1,0,1]=4 758 B9R0.20 CCC(C)(C)SCCSC 62a_100000212216_100000032637 [0,2,0,0,0,0|1,0,1]=4 759 B9R0.20 COC(C)(C)CSCSC 62a_100000701081_100011218213 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.20 COC(C)(C)CSCSC 62a_100011218213_100000701081 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.20 CSCCSC(C)(C)C#N 62a_100000212216_100011162410 [0,2,0,0,0,0|1,0,1]=4 762 B9R0.20 CSCCSC(C)(C)C#N 62a_100011162410_100000751147 [0,2,0,0,0,0|1,0,1]=4 763 B9R0.20 CSCSCC(C)(C)CO 62a_100009813988_100011218213 [0,2,0,0,0,0|0,0,2]=4 764 B9R0.20 CSCSCC(C)(C)CO 62a_100011218213_100009813988 [0,2,0,0,0,0|0,0,2]=4 765 B9R0.66 C=CCNC(C)(C)CSC 2230a_100000759623_100000210623 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.66 C=CCNC(C)(C)CSC 7a_100000759623_100015514636 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.66 CCCC(C)(C)OCC=O 7a_100000748436_200015260668 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.66 COCC(C)(C)NCC=O 2230a_100000752728_200015260668 [0,2,0,0,0,0|1,1,0]=4 769 B9R0.66 CSCC(C)(C)NCC=O 2230a_100000759623_200015260668 [0,2,0,0,0,0|1,0,0]=3 770 B9R0.66 CSCC(C)(C)NCC=O 7a_100000759623_200015260668 [0,2,0,0,0,0|1,0,0]=3 771 B9R0.67 CCC(C)(CC)SCSC 62a_100009817345_100011218213 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.67 CCC(C)(CC)SCSC 62a_100011218213_100009817345 [0,2,0,0,0,0|1,0,1]=4 773 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,2,0,0,0,0|2,0,0]=4 775 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,2,0,0,0,0|1,1,0]=4 776 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [0,2,0,0,0,0|1,1,0]=4 777 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [0,2,0,0,0,0|1,1,0]=4 778 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [0,2,0,0,0,0|1,1,0]=4 779 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [0,2,0,0,0,0|1,1,0]=4 780 B9R0.58 CSCC(C)(C)NC(=O)C 11a_100000759623_100015343762 [0,2,0,0,0,0|1,0,0]=3 781 B9R0.58 CSCC(C)(C)NC(=O)C 1626a_100000759623_100015343762 [0,2,0,0,0,0|1,0,0]=3 782 B9R0.58 CSCC(C)(C)NC(=O)C 240690a_100000759623_100015343762 [0,2,0,0,0,0|1,0,0]=3 783 B9R0.58 CSCC(C)(C)NC(=O)C 527a_100000759623_100103153847 [0,2,0,0,0,0|1,0,0]=3 784 B7R1.29 CSC1(CC1)C#N 62a_100009889376_200000210301 [1,0,0,1,0,0|1,0,1]=4 785 B7R1.29 CSC1(CC1)C#N 62a_200000210301_100009889376 [1,0,0,1,0,0|1,0,1]=4 786 B7R1.29 [13CH3]SC1(CC1)C#N 62a_100009889376_200025704644 [1,0,0,1,0,0|1,0,1]=4 787 B7R1.29 [13CH3]SC1(CC1)C#N 62a_200025704644_100009889376 [1,0,0,1,0,0|1,0,1]=4 788 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,1,0,0|1,1,0]=4 790 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,1,0,0|1,1,0]=4 792 B9R1.179 CC(=O)C1(CC1)SCF 62a_100000086384_100015361967 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.179 CC(=O)C1(CC1)SCF 62a_100015361967_100000086384 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.179 CCNC1(CC1)C(=O)N 2230a_100000687655_100000210202 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.179 CCOC1(CC1)C(=O)C 1458a_100011094191_200000210301 [0,1,0,1,0,0|1,1,0]=4 797 B9R1.179 CCOC1(CC1)C(=O)N 34a_100121572206_100010760883 [0,1,0,1,0,0|1,1,0]=4 798 B9R1.179 CCOC1(CC1)C(=O)[13CH3] 1458a_100011094191_200025704644 [0,1,0,1,0,0|1,1,0]=4 799 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000086384_100000210202 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000210202_100000086384 [0,1,0,1,0,0|1,0,0]=3 801 B9R1.179 CCSC1(CC1)C(=O)N 62a_100000210202_100010760883 [0,1,0,1,0,0|1,0,0]=3 802 B9R1.179 CCSC1(CC1)C(=O)N 62a_100010760883_100000210202 [0,1,0,1,0,0|1,0,0]=3 803 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.179 COCC1(CC1)C(=O)N 34a_100000117830_200000210301 [0,1,0,1,0,0|1,1,0]=4 805 B9R1.179 COCC1(CC1)C(=O)N 7a_100000117830_200000210301 [0,1,0,1,0,0|1,1,0]=4 806 B9R1.179 NC(=O)C1(CC1)SCF 62a_100010760883_100015361967 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.179 NC(=O)C1(CC1)SCF 62a_100015361967_100010760883 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 34a_100000117830_200025704644 [0,1,0,1,0,0|1,1,0]=4 810 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 7a_100000117830_200025704644 [0,1,0,1,0,0|1,1,0]=4 811 B9R1.193 CSCSC1(CC1)C#N 62a_100009889376_100011218213 [0,1,0,1,0,0|1,0,1]=4 812 B9R1.193 CSCSC1(CC1)C#N 62a_100011218213_100009889376 [0,1,0,1,0,0|1,0,1]=4