0 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|1,0,2]=4 53 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|1,0,1]=3 70 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|1,0,1]=3 72 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|1,0,1]=3 73 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|1,0,1]=3 75 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|1,0,2]=4 83 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|1,0,2]=4 85 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.11 C#CC(C)(C)NCC 34a_100000054563_100000210202 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.11 C#CC(C)(C)NCF 34a_100000054563_100015361967 [0,1,0,0,0,0|2,0,0]=3 127 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.11 C#CC(C)(C)OCF 34a_100000189450_100015361967 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.11 C#CC(C)(C)OCF 7a_100000189450_100015361967 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.11 C#CC(C)(C)SCC 62a_100000038118_100000210202 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.11 C#CC(C)(C)SCC 62a_100000210202_100000038118 [0,1,0,0,0,0|1,0,0]=2 134 B7R0.11 C#CC(C)(C)SCF 62a_100000038118_100015361967 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.11 C#CC(C)(C)SCF 62a_100015361967_100000038118 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.11 CC(C)(C#N)OCF 34a_200015195151_100015361967 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.11 CC(C)(C#N)SCF 62a_100011162410_100015361967 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.11 CC(C)(C#N)SCF 62a_100015361967_100011162410 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,0,0,0,0|1,0,2]=4 158 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.11 CCSC(C)(C)C#N 62a_100000210202_100011162410 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.11 CCSC(C)(C)C#N 62a_100011162410_100000210202 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,1,0,0,0,0|1,0,2]=4 162 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,1,0,0,0,0|2,0,1]=4 178 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,1,0,0,0,0|2,0,1]=4 180 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,1,0,0,0,0|2,0,1]=4 183 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,1,0,0,0,0|2,0,1]=4 185 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,1,0,0,0,0|1,0,1]=3 187 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,1,0,0,0,0|1,0,1]=3 188 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,0,0|1,0,2]=4 194 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,0,0|1,0,2]=4 195 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,1,0,0,0,0|2,0,1]=4 196 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,1,0,0,0,0|2,0,1]=4 199 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,0,0|0,0,2]=3 201 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,0,0|0,0,2]=3 202 B7R0.13 CN(C)C(C)(C)C#N 269982a_100102631434_100011162410 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.18 C#CC(C)(C=C)OC 34a_100000033310_200000210301 [0,1,0,0,0,0|0,0,2]=3 206 B7R0.18 C#CC(C)(C=C)OC 7a_100000033310_200000210301 [0,1,0,0,0,0|0,0,2]=3 207 B7R0.18 C#CC(C)(C=C)O[13CH3] 34a_100000033310_200025704644 [0,1,0,0,0,0|0,0,2]=3 208 B7R0.18 C#CC(C)(C=C)O[13CH3] 7a_100000033310_200025704644 [0,1,0,0,0,0|0,0,2]=3 209 B7R0.18 C#CC(C)(CC)NC 2230a_100000054623_200000210301 [0,1,0,0,0,0|1,0,0]=2 210 B7R0.18 C#CC(C)(CC)N[13CH3] 2230a_100000054623_200025704644 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.18 C#CC(C)(CC)OC 34a_100000686493_200000210301 [0,1,0,0,0,0|0,0,0]=1 212 B7R0.18 C#CC(C)(CC)OC 7a_100000686493_200000210301 [0,1,0,0,0,0|0,0,0]=1 213 B7R0.18 C#CC(C)(CC)O[13CH3] 34a_100000686493_200025704644 [0,1,0,0,0,0|0,0,0]=1 214 B7R0.18 C#CC(C)(CC)O[13CH3] 7a_100000686493_200025704644 [0,1,0,0,0,0|0,0,0]=1 215 B7R0.18 CCC(C)(C#N)OC 7a_100000760259_200000210301 [0,1,0,0,0,0|1,0,0]=2 216 B7R0.18 CCC(C)(C#N)O[13CH3] 7a_100000760259_200025704644 [0,1,0,0,0,0|1,0,0]=2 217 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [0,1,0,0,0,0|1,0,2]=4 218 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,1,0,0,0,0|0,0,2]=3 219 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,1,0,0,0,0|0,0,2]=3 220 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [0,1,0,0,0,0|0,1,2]=4 221 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [0,1,0,0,0,0|0,1,2]=4 222 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [0,1,0,0,0,0|0,1,2]=4 223 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [0,1,0,0,0,0|0,1,2]=4 224 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,0,0,1,0,0|2,0,1]=4 230 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,0,0,1,0,0|2,0,1]=4 232 B7R1.29 C#CC1(CC1)NC 34a_100020639468_200000210301 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.29 C#CC1(CC1)N[13CH3] 34a_100020639468_200025704644 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.29 CNC1(CC1)C#N 2230a_100000756336_200000210301 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.29 CNC1(CC1)C#N 34a_100000756336_200000210301 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.29 CNC1(CC1)C#N 34a_100102657272_100009889376 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.29 COC1(CC1)C#N 34a_100138415774_100009889376 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.29 CSC1(CC1)C#N 62a_100009889376_200000210301 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.29 CSC1(CC1)C#N 62a_200000210301_100009889376 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.29 [13CH3]NC1(CC1)C#N 2230a_100000756336_200025704644 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.29 [13CH3]NC1(CC1)C#N 34a_100000756336_200025704644 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.29 [13CH3]SC1(CC1)C#N 62a_100009889376_200025704644 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.29 [13CH3]SC1(CC1)C#N 62a_200025704644_100009889376 [0,0,0,1,0,0|3,0,0]=4 246 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [2,0,0,0,0,0|0,0,2]=4 247 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [2,0,0,0,0,0|0,0,2]=4 248 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 249 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 250 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 251 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 252 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 253 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,2]=4 254 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,2]=4 255 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,2]=4 256 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 258 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 260 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,1]=4 265 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [2,0,0,0,0,0|1,0,0]=3 272 B4R0.2 C#CCNC 34a_100000212058_200000210301 [2,0,0,0,0,0|1,0,0]=3 273 B4R0.2 C#CCNC 34a_100102657272_100000184674 [2,0,0,0,0,0|1,0,0]=3 274 B4R0.2 C#CCNC 7a_106832991635_100000038162 [2,0,0,0,0,0|1,0,0]=3 275 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [2,0,0,0,0,0|1,0,0]=3 276 B4R0.2 C#CCOC 34a_100000210247_200000210301 [2,0,0,0,0,0|1,0,0]=3 277 B4R0.2 C#CCOC 34a_100138415774_100000184674 [2,0,0,0,0,0|1,0,0]=3 278 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [2,0,0,0,0,0|1,0,0]=3 279 B4R0.2 C#CCSC 62a_100000038162_200000210301 [2,0,0,0,0,0|1,0,0]=3 280 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [2,0,0,0,0,0|1,0,0]=3 281 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 282 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,1]=4 285 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,1]=4 286 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,1]=4 288 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,1]=4 289 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.2 CNCC#N 7a_106832991635_100011215382 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.2 CSCC#N 62a_100011215382_200000210301 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.2 CSCC#N 62a_200000210301_100011215382 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|0,0,2]=4 298 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,1,0,0,0,0|0,0,2]=4 299 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,1,0,0,0,0|0,0,2]=4 300 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [1,1,0,0,0,0|0,0,0]=2 301 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [1,1,0,0,0,0|0,0,0]=2 302 B6R0.1 C#CC(C)NCF 34a_100000707721_100015361967 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [1,1,0,0,0,0|0,0,0]=2 304 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [1,1,0,0,0,0|0,0,0]=2 305 B6R0.1 C#CC(C)SCF 62a_200000035995_100015361967 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,1,0,0,0,0|0,0,2]=4 307 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,1,0,0,0,0|0,0,2]=4 308 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [1,1,0,0,0,0|1,0,0]=3 313 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.1 C#CCN(C)CF 34a_100000225692_100015361967 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [1,1,0,0,0,0|0,0,0]=2 321 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [1,1,0,0,0,0|0,0,0]=2 322 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,1,0,0,0,0|0,0,2]=4 325 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,1,0,0,0,0|0,0,2]=4 326 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,1,0,0,0,0|0,0,2]=4 327 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,1,0,0,0,0|0,0,2]=4 328 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,1,0,0,0,0|0,0,2]=4 329 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,1,0,0,0,0|0,0,2]=4 330 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [1,1,0,0,0,0|0,0,2]=4 331 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [1,1,0,0,0,0|0,0,2]=4 332 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [1,1,0,0,0,0|0,0,2]=4 333 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,1,0,0,0,0|0,0,2]=4 334 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,1,0,0,0,0|0,0,2]=4 335 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,1,0,0,0,0|0,0,2]=4 336 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,1,0,0,0,0|0,0,2]=4 337 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,1,0,0,0,0|0,0,2]=4 338 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,1,0,0,0,0|0,0,2]=4 339 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.1 CC(C#N)SCF 62a_100000703298_100015361967 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.1 CC(C#N)SCF 62a_100015361967_100000703298 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|0,0,2]=4 352 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|0,0,2]=4 353 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|0,0,2]=4 354 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|0,0,2]=4 355 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|0,0,2]=4 356 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|0,0,2]=4 357 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|0,0,2]=4 358 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|0,0,2]=4 359 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|0,0,2]=4 360 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|0,0,2]=4 361 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|0,0,2]=4 362 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,1,0,0,0,0|0,0,2]=4 366 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,1,0,0,0,0|0,0,2]=4 367 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,1,0,0,0,0|0,0,2]=4 368 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,1,0,0,0,0|0,0,2]=4 369 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,1,0,0,0,0|0,0,2]=4 370 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,1,0,0,0,0|0,0,2]=4 371 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,1,0,0,0,0|0,0,2]=4 372 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,1,0,0,0,0|0,0,2]=4 373 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,1,0,0,0,0|0,0,2]=4 374 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,1,0,0,0,0|0,0,2]=4 375 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|1,0,1]=4 379 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,0,1]=4 388 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [1,1,0,0,0,0|1,0,0]=3 394 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [1,1,0,0,0,0|1,0,0]=3 395 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,1,0,0,0,0|0,0,2]=4 396 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,1,0,0,0,0|0,0,2]=4 397 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,1,0,0,0,0|0,0,2]=4 401 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,1,0,0,0,0|0,0,2]=4 402 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,1,0,0,0,0|1,0,1]=4 403 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,1,0,0,0,0|1,0,1]=4 404 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,1,0,0,0,0|1,0,1]=4 405 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [1,1,0,0,0,0|1,0,0]=3 407 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [1,1,0,0,0,0|1,0,0]=3 408 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,1,0,0,0,0|0,0,2]=4 409 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,1,0,0,0,0|0,0,2]=4 410 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|0,0,2]=4 418 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|0,0,2]=4 419 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|0,0,2]=4 420 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|0,0,2]=4 421 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|0,0,2]=4 422 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|0,0,2]=4 423 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|0,0,2]=4 424 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|0,0,2]=4 425 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|0,0,2]=4 426 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|0,0,2]=4 427 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [1,1,0,0,0,0|1,0,1]=4 429 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,1,0,0,0,0|1,0,1]=4 430 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,1,0,0,0,0|1,0,1]=4 431 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,1,0,0,0,0|1,0,1]=4 433 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,1,0,0,0,0|1,0,1]=4 434 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,1,0,0,0,0|1,0,1]=4 446 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,1,0,0,0,0|1,0,1]=4 449 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,1,0,0,0,0|1,0,1]=4 451 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,1,0,0,0,0|1,0,1]=4 452 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [1,1,0,0,0,0|1,0,1]=4 453 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 454 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 455 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,1,0,0,0,0|1,0,1]=4 456 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,1,0,0,0,0|1,0,1]=4 458 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,1,0,0,0,0|1,0,1]=4 459 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,1,0,0,0,0|1,0,1]=4 460 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,1,0,0,0,0|1,0,1]=4 465 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,1,0,0,0,0|1,0,1]=4 466 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,1,0,0,0,0|1,0,1]=4 467 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|1,0,1]=4 468 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,1,0,0,0,0|1,0,1]=4 469 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,1,0,0,0,0|1,0,1]=4 471 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|1,0,1]=4 477 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,1,0,0,0,0|1,0,1]=4 480 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,1,0,0,0,0|1,0,1]=4 484 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,1,0,0,0,0|1,0,1]=4 486 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|1,0,1]=4 489 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 490 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,1,0,0,0,0|1,0,1]=4 493 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,1,0,0,0,0|1,0,1]=4 494 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,1,0,0,0,0|1,0,1]=4 495 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,1,0,0,0,0|1,0,1]=4 496 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [1,1,0,0,0,0|0,0,2]=4 499 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [1,1,0,0,0,0|0,0,1]=3 500 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [1,1,0,0,0,0|1,0,1]=4 501 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [1,1,0,0,0,0|1,0,1]=4 502 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [1,1,0,0,0,0|1,0,1]=4 503 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [1,1,0,0,0,0|2,0,0]=4 504 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [1,1,0,0,0,0|1,0,1]=4 506 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,1,0,0,0,0|1,0,1]=4 507 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|0,0,2]=4 508 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|0,0,2]=4 509 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|0,0,2]=4 510 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,1,0,0,0,0|1,0,1]=4 511 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,1,0,0,0,0|1,0,1]=4 512 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,1,0,0,0,0|1,0,1]=4 513 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,1,0,0,0,0|1,0,1]=4 515 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,1,0,0,0,0|1,0,1]=4 516 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|0,0,2]=4 517 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|0,0,2]=4 518 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [1,1,0,0,0,0|1,0,1]=4 519 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|0,0,0]=2 521 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|0,0,0]=2 522 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|0,0,0]=2 523 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|0,0,0]=2 524 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|0,0,2]=4 525 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|0,0,2]=4 526 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|0,0,2]=4 527 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|0,0,2]=4 528 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|0,0,2]=4 529 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|0,0,2]=4 530 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|0,0,2]=4 531 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|0,0,2]=4 532 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|0,0,2]=4 533 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|0,0,2]=4 534 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|0,0,2]=4 535 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|0,0,2]=4 536 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|0,0,2]=4 537 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|0,0,2]=4 538 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|1,0,1]=4 539 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,1,0,0,0,0|1,0,1]=4 541 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,1,0,0,0,0|1,0,1]=4 543 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,1,0,0,0,0|1,0,1]=4 547 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,1,0,0,0,0|0,0,1]=3 548 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,1,0,0,0,0|0,0,1]=3 549 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,1,0,0,0,0|0,0,1]=3 550 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [1,1,0,0,0,0|2,0,0]=4 551 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,1,0,0,0,0|1,0,1]=4 552 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,1,0,0,0,0|1,0,1]=4 553 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,1,0,0,0,0|1,0,1]=4 554 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,1,0,0,0,0|1,0,1]=4 555 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,1,0,0,0,0|1,0,1]=4 556 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,1,0,0,0,0|1,0,1]=4 557 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,1,0,0,0,0|1,0,1]=4 560 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,1,0,0,0,0|0,0,1]=3 563 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,1,0,0,0,0|0,0,1]=3 564 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,1,0,0,0,0|0,0,1]=3 565 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,1,0,0,0,0|1,0,1]=4 567 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,1,0,0,0,0|0,0,1]=3 569 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,1,0,0,0,0|1,0,1]=4 574 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,1,0,0,0,0|0,0,1]=3 575 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,1,0,0,0,0|0,0,1]=3 576 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|0,0,2]=4 577 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|0,0,2]=4 578 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000079900_100000210202 [0,2,0,0,0,0|1,0,0]=3 579 B8R0.13 C#CC(C)(C)C(=O)CC 1458a_100000210414_100000038118 [0,2,0,0,0,0|1,0,0]=3 580 B8R0.13 C#CC(C)(C)C(=O)CF 1458a_100000079900_100015361967 [0,2,0,0,0,0|1,0,1]=4 581 B8R0.13 C#CC(C)(C)C(=O)CO 1458a_100000210174_100000038118 [0,2,0,0,0,0|1,0,1]=4 582 B8R0.13 C#CC(C)(C)C(=O)NC 11a_106832991635_100000079900 [0,2,0,0,0,0|1,0,1]=4 583 B8R0.13 C#CC(C)(C)C(=O)NC 1626a_100102657272_100000079900 [0,2,0,0,0,0|1,0,1]=4 584 B8R0.13 C#CC(C)(C)C(=O)NC 240690a_100102657272_100000079900 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.13 C#CC(C)(C)C(=O)NC 527a_100102657272_100000079900 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.13 CCC(=O)C(C)(C)C#N 1458a_100000740761_100000210202 [0,2,0,0,0,0|2,0,0]=4 587 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|0,0,2]=4 588 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,2,0,0,0,0|0,0,2]=4 589 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|0,0,2]=4 590 B8R0.13 CCN(C)C(C)(C)C#N 269982a_100000225621_100011162410 [0,2,0,0,0,0|2,0,0]=4 591 B8R0.25 C#CC(C)(C)NCC=C 34a_100000054563_100015514636 [0,2,0,0,0,0|1,0,1]=4 592 B8R0.25 C#CC(C)(C)NCC=O 34a_100000054563_200009817547 [0,2,0,0,0,0|1,0,1]=4 593 B8R0.25 C#CC(C)(C)NCCC 34a_100000054563_100000210303 [0,2,0,0,0,0|1,0,0]=3 594 B8R0.25 C#CC(C)(C)NCCF 34a_100000054563_100011217306 [0,2,0,0,0,0|1,0,0]=3 595 B8R0.25 C#CC(C)(C)NCCF 34a_100000724931_100000038118 [0,2,0,0,0,0|1,0,0]=3 596 B8R0.25 C#CC(C)(C)NCCO 34a_100000054563_100000211926 [0,2,0,0,0,0|1,0,0]=3 597 B8R0.25 C#CC(C)(C)NCCO 34a_100016990907_100000038118 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.25 C#CC(C)(C)NCSC 34a_100000054563_100011218213 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.25 C#CC(C)(C)OCC#N 7a_100000189450_100011215382 [0,2,0,0,0,0|1,0,1]=4 600 B8R0.25 C#CC(C)(C)OCC=C 34a_100000189450_100015514636 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.25 C#CC(C)(C)OCC=C 34a_200000210373_100000038118 [0,2,0,0,0,0|1,0,1]=4 602 B8R0.25 C#CC(C)(C)OCC=C 7a_100000189450_100015514636 [0,2,0,0,0,0|1,0,1]=4 603 B8R0.25 C#CC(C)(C)OCC=O 34a_100000189450_200009817547 [0,2,0,0,0,0|1,0,1]=4 604 B8R0.25 C#CC(C)(C)OCC=O 7a_100000189450_200015260668 [0,2,0,0,0,0|1,0,1]=4 605 B8R0.25 C#CC(C)(C)OCCBr 34a_100000211926_100000038118 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.25 C#CC(C)(C)OCCC 34a_100000189450_100000210303 [0,2,0,0,0,0|1,0,0]=3 607 B8R0.25 C#CC(C)(C)OCCC 34a_100000210258_100000038118 [0,2,0,0,0,0|1,0,0]=3 608 B8R0.25 C#CC(C)(C)OCCC 7a_100000189450_100000210303 [0,2,0,0,0,0|1,0,0]=3 609 B8R0.25 C#CC(C)(C)OCCF 34a_100000189450_100011217306 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.25 C#CC(C)(C)OCCF 7a_100000189450_100011217306 [0,2,0,0,0,0|1,0,0]=3 611 B8R0.25 C#CC(C)(C)OCCN 34a_100000210304_100000038118 [0,2,0,0,0,0|1,0,0]=3 612 B8R0.25 C#CC(C)(C)OCCO 34a_100000189450_100000211926 [0,2,0,0,0,0|1,0,0]=3 613 B8R0.25 C#CC(C)(C)OCCO 7a_100000189450_100000211926 [0,2,0,0,0,0|1,0,0]=3 614 B8R0.25 C#CC(C)(C)OCSC 34a_100000189450_100011218213 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.25 C#CC(C)(C)SCC#N 62a_100000038118_100011215382 [0,2,0,0,0,0|1,0,1]=4 616 B8R0.25 C#CC(C)(C)SCC#N 62a_100011215382_100000038118 [0,2,0,0,0,0|1,0,1]=4 617 B8R0.25 C#CC(C)(C)SCC=C 62a_100000038118_100000210623 [0,2,0,0,0,0|1,0,1]=4 618 B8R0.25 C#CC(C)(C)SCC=C 62a_100000210623_100000038118 [0,2,0,0,0,0|1,0,1]=4 619 B8R0.25 C#CC(C)(C)SCC=O 62a_100000038118_200015260668 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.25 C#CC(C)(C)SCC=O 62a_200015260668_100000038118 [0,2,0,0,0,0|1,0,1]=4 621 B8R0.25 C#CC(C)(C)SCCC 62a_100000038118_100000210303 [0,2,0,0,0,0|1,0,0]=3 622 B8R0.25 C#CC(C)(C)SCCC 62a_100000210303_100000038118 [0,2,0,0,0,0|1,0,0]=3 623 B8R0.25 C#CC(C)(C)SCCF 62a_100000038118_100011217306 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.25 C#CC(C)(C)SCCF 62a_100011217306_100000038118 [0,2,0,0,0,0|1,0,0]=3 625 B8R0.25 C#CC(C)(C)SCCO 62a_100000038118_100000211926 [0,2,0,0,0,0|1,0,0]=3 626 B8R0.25 C#CC(C)(C)SCCO 62a_100000211926_100000038118 [0,2,0,0,0,0|1,0,0]=3 627 B8R0.25 C#CC(C)(C)SCOC 62a_100000038118_100000766300 [0,2,0,0,0,0|1,0,0]=3 628 B8R0.25 C#CC(C)(C)SCOC 62a_100000766300_100000038118 [0,2,0,0,0,0|1,0,0]=3 629 B8R0.25 C#CC(C)(C)SCSC 62a_100000038118_100011218213 [0,2,0,0,0,0|1,0,0]=3 630 B8R0.25 C#CC(C)(C)SCSC 62a_100011218213_100000038118 [0,2,0,0,0,0|1,0,0]=3 631 B8R0.25 C#CCNC(C)(C)C#C 34a_100000054563_100000184674 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.25 C#CCNC(C)(C)C#C 34a_100000212058_100000038118 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.25 C#CCNC(C)(C)CC 2230a_100000211385_100000038162 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.25 C#CCNC(C)(C)CO 2230a_100000210608_100000038162 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.25 C#CCOC(C)(C)C#C 34a_100000189450_100000184674 [0,2,0,0,0,0|1,0,1]=4 636 B8R0.25 C#CCOC(C)(C)C#C 34a_100000210247_100000038118 [0,2,0,0,0,0|1,0,1]=4 637 B8R0.25 C#CCOC(C)(C)C#C 7a_100000189450_100000038162 [0,2,0,0,0,0|1,0,1]=4 638 B8R0.25 C#CCOC(C)(C)CC 7a_100000210230_100000038162 [0,2,0,0,0,0|1,0,0]=3 639 B8R0.25 C#CCOC(C)(C)CCl 7a_100000764493_100000038162 [0,2,0,0,0,0|2,0,0]=4 640 B8R0.25 C#CCSC(C)(C)C#C 62a_100000038162_100000038118 [0,2,0,0,0,0|1,0,1]=4 641 B8R0.25 C#CCSC(C)(C)CC 62a_100000038162_100000032637 [0,2,0,0,0,0|1,0,0]=3 642 B8R0.25 C=CC#CC(C)(C)OC 34a_100000015972_200000210301 [0,2,0,0,0,0|2,0,0]=4 643 B8R0.25 C=CC#CC(C)(C)OC 7a_100000015972_200000210301 [0,2,0,0,0,0|2,0,0]=4 644 B8R0.25 C=CC#CC(C)(C)O[13CH3] 34a_100000015972_200025704644 [0,2,0,0,0,0|2,0,0]=4 645 B8R0.25 C=CC#CC(C)(C)O[13CH3] 7a_100000015972_200025704644 [0,2,0,0,0,0|2,0,0]=4 646 B8R0.25 CC(C)(C#N)NCCF 34a_100000724931_100011162410 [0,2,0,0,0,0|2,0,0]=4 647 B8R0.25 CC(C)(C#N)NCCO 34a_100016990907_100011162410 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.25 CC(C)(C#N)OCCBr 34a_100000211926_100011162410 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.25 CC(C)(C#N)OCCF 34a_200015195151_100011217306 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.25 CC(C)(C#N)OCCN 34a_100000210304_100011162410 [0,2,0,0,0,0|2,0,0]=4 651 B8R0.25 CC(C)(C#N)OCCO 34a_200015195151_100000211926 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.25 CC(C)(C#N)SCCF 62a_100011162410_100011217306 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.25 CC(C)(C#N)SCCF 62a_100011217306_100011162410 [0,2,0,0,0,0|2,0,0]=4 654 B8R0.25 CC(C)(C#N)SCCO 62a_100000211926_100011162410 [0,2,0,0,0,0|2,0,0]=4 655 B8R0.25 CC(C)(C#N)SCCO 62a_100011162410_100000211926 [0,2,0,0,0,0|2,0,0]=4 656 B8R0.25 CCC(C)(C)NCC#N 2230a_100000211385_100011215382 [0,2,0,0,0,0|1,0,1]=4 657 B8R0.25 CCC(C)(C)OCC#N 7a_100000210230_100011215382 [0,2,0,0,0,0|1,0,1]=4 658 B8R0.25 CCC(C)(C)SCC#N 62a_100000032637_100011215382 [0,2,0,0,0,0|1,0,1]=4 659 B8R0.25 CCC(C)(C)SCC#N 62a_100011215382_100000032637 [0,2,0,0,0,0|1,0,1]=4 660 B8R0.25 CCCOC(C)(C)C#N 34a_100000210258_100011162410 [0,2,0,0,0,0|2,0,0]=4 661 B8R0.25 CCCOC(C)(C)C#N 34a_200015195151_100000210303 [0,2,0,0,0,0|2,0,0]=4 662 B8R0.25 CCCSC(C)(C)C#N 62a_100000210303_100011162410 [0,2,0,0,0,0|2,0,0]=4 663 B8R0.25 CCCSC(C)(C)C#N 62a_100011162410_100000210303 [0,2,0,0,0,0|2,0,0]=4 664 B8R0.25 COCSC(C)(C)C#N 62a_100000766300_100011162410 [0,2,0,0,0,0|2,0,0]=4 665 B8R0.25 COCSC(C)(C)C#N 62a_100011162410_100000766300 [0,2,0,0,0,0|2,0,0]=4 666 B8R0.25 CSCOC(C)(C)C#N 34a_200015195151_100011218213 [0,2,0,0,0,0|2,0,0]=4 667 B8R0.25 CSCSC(C)(C)C#N 62a_100011162410_100011218213 [0,2,0,0,0,0|2,0,0]=4 668 B8R0.25 CSCSC(C)(C)C#N 62a_100011218213_100011162410 [0,2,0,0,0,0|2,0,0]=4 669 B8R0.31 C#CC(C)(C=C)OCC 34a_100000033310_100000210202 [0,2,0,0,0,0|1,0,0]=3 670 B8R0.31 C#CC(C)(C=C)OCC 7a_100000033310_100000210202 [0,2,0,0,0,0|1,0,0]=3 671 B8R0.31 C#CC(C)(C=C)OCF 34a_100000033310_100015361967 [0,2,0,0,0,0|0,0,2]=4 672 B8R0.31 C#CC(C)(C=C)OCF 7a_100000033310_100015361967 [0,2,0,0,0,0|0,0,2]=4 673 B8R0.31 C#CC(C)(CC)NCC 2230a_100000054623_100000210202 [0,2,0,0,0,0|1,0,0]=3 674 B8R0.31 C#CC(C)(CC)OCC 34a_100000686493_100000210202 [0,2,0,0,0,0|0,0,0]=2 675 B8R0.31 C#CC(C)(CC)OCC 7a_100000686493_100000210202 [0,2,0,0,0,0|0,0,0]=2 676 B8R0.31 C#CC(C)(CC)OCF 34a_100000686493_100015361967 [0,2,0,0,0,0|0,0,0]=2 677 B8R0.31 C#CC(C)(CC)OCF 7a_100000686493_100015361967 [0,2,0,0,0,0|0,0,0]=2 678 B8R0.31 C=CCC(C)(CC)OC 7a_200011216962_200000210301 [0,2,0,0,0,0|0,0,2]=4 679 B8R0.31 C=CCC(C)(CC)O[13CH3] 7a_200011216962_200025704644 [0,2,0,0,0,0|0,0,2]=4 680 B8R0.31 CCC(C)(C#N)OCF 7a_100000760259_100015361967 [0,2,0,0,0,0|1,0,0]=3 681 B8R0.31 CCC(C)(CC)OCF 7a_100000755174_100015361967 [0,2,0,0,0,0|0,0,2]=4 682 B8R0.31 CCCC(C)(CC)OC 7a_200011215934_200000210301 [0,2,0,0,0,0|0,0,2]=4 683 B8R0.31 CCCC(C)(CC)O[13CH3] 7a_200011215934_200025704644 [0,2,0,0,0,0|0,0,2]=4 684 B8R0.31 CCOC(C)(C#N)CC 7a_100000760259_100000210202 [0,2,0,0,0,0|1,0,0]=3 685 B8R0.31 CCOC(C)(CC)CC 7a_100000755174_100000210202 [0,2,0,0,0,0|0,0,2]=4 686 B8R0.31 CNCC(C)(OC)OC 2230a_100000732740_200000210301 [0,2,0,0,0,0|1,0,1]=4 687 B8R0.31 CNCC(C)(OC)OC 2230a_106832991635_100000064154 [0,2,0,0,0,0|1,0,1]=4 688 B8R0.31 CNCC(C)(OC)OC 34a_100102657272_100000766008 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.31 COC(C)(CN[13CH3])OC 2230a_100000732740_200025704644 [0,2,0,0,0,0|1,0,1]=4 690 B8R0.31 COC(C)(CSC)OC 62a_100000766008_200000210301 [0,2,0,0,0,0|1,0,1]=4 691 B8R0.31 COC(C)(CSC)OC 62a_200000210301_100000766008 [0,2,0,0,0,0|1,0,1]=4 692 B8R0.31 COC(C)(CS[13CH3])OC 62a_100000766008_200025704644 [0,2,0,0,0,0|1,0,1]=4 693 B8R0.31 COC(C)(CS[13CH3])OC 62a_200025704644_100000766008 [0,2,0,0,0,0|1,0,1]=4 694 B8R0.31 COCC(C)(OC)OC 34a_100138415774_100000766008 [0,2,0,0,0,0|1,0,1]=4 695 B8R0.34 C#CC(C)(C)NC(=O)C 11a_100000054563_100015343762 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.34 C#CC(C)(C)NC(=O)C 1626a_100000054563_100015343762 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.34 C#CC(C)(C)NC(=O)C 240690a_100000054563_100015343762 [0,2,0,0,0,0|1,0,1]=4 698 B8R0.34 C#CC(C)(C)NC(C)C 34a_100000054563_100000210206 [0,2,0,0,0,0|1,0,0]=3 699 B8R0.34 C#CC(C)(C)NC(C)C 34a_100138425928_100000038118 [0,2,0,0,0,0|1,0,0]=3 700 B8R0.34 C#CC(C)(C)OC(C)C 34a_100000189450_100000210206 [0,2,0,0,0,0|1,0,0]=3 701 B8R0.34 C#CC(C)(C)OC(C)C 34a_100000212225_100000038118 [0,2,0,0,0,0|1,0,0]=3 702 B8R0.34 C#CC(C)(C)OC(C)C 7a_100000189450_100000210206 [0,2,0,0,0,0|1,0,0]=3 703 B8R0.34 C#CC(C)(C)SC(C)C 62a_100000038118_100000210206 [0,2,0,0,0,0|1,0,0]=3 704 B8R0.34 C#CC(C)(C)SC(C)C 62a_100000210206_100000038118 [0,2,0,0,0,0|1,0,0]=3 705 B8R0.34 CC(C)NC(C)(C)C#N 34a_100138425928_100011162410 [0,2,0,0,0,0|2,0,0]=4 706 B8R0.34 CC(C)OC(C)(C)C#N 34a_100000212225_100011162410 [0,2,0,0,0,0|2,0,0]=4 707 B8R0.34 CC(C)OC(C)(C)C#N 34a_200015195151_100000210206 [0,2,0,0,0,0|2,0,0]=4 708 B8R0.34 CC(C)SC(C)(C)C#N 62a_100000210206_100011162410 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.34 CC(C)SC(C)(C)C#N 62a_100011162410_100000210206 [0,2,0,0,0,0|2,0,0]=4 710 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,2,0,0,0,0|0,0,2]=4 711 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,2,0,0,0,0|0,0,2]=4 712 B8R0.36 C#CC(C)(OC)C(C)C 34a_200011216185_200000210301 [0,2,0,0,0,0|0,0,0]=2 713 B8R0.36 C#CC(C)(OC)C(C)C 7a_200011216185_200000210301 [0,2,0,0,0,0|0,0,0]=2 714 B8R0.36 C#CC(C)(O[13CH3])C(C)C 34a_200011216185_200025704644 [0,2,0,0,0,0|0,0,0]=2 715 B8R0.36 C#CC(C)(O[13CH3])C(C)C 7a_200011216185_200025704644 [0,2,0,0,0,0|0,0,0]=2 716 B8R0.36 CC(C)C(C)(C#N)N[13CH3] 2230a_100000184312_200025704644 [0,2,0,0,0,0|2,0,0]=4 717 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.36 CNC(C)(C#N)C(C)C 2230a_100000184312_200000210301 [0,2,0,0,0,0|2,0,0]=4 720 B8R0.10 C#CC(CC)(CC)NC 2230a_100102564785_200000210301 [0,2,0,0,0,0|1,0,0]=3 721 B8R0.10 C#CC(CC)(CC)N[13CH3] 2230a_100102564785_200025704644 [0,2,0,0,0,0|1,0,0]=3 722 B8R0.10 C#CC(CC)(CC)OC 34a_100011215175_200000210301 [0,2,0,0,0,0|0,0,0]=2 723 B8R0.10 C#CC(CC)(CC)OC 7a_100011215175_200000210301 [0,2,0,0,0,0|0,0,0]=2 724 B8R0.10 C#CC(CC)(CC)O[13CH3] 34a_100011215175_200025704644 [0,2,0,0,0,0|0,0,0]=2 725 B8R0.10 C#CC(CC)(CC)O[13CH3] 7a_100011215175_200025704644 [0,2,0,0,0,0|0,0,0]=2 726 B8R0.10 CCC(C#N)(CC)NC 2230a_100000746712_200000210301 [0,2,0,0,0,0|2,0,0]=4 727 B8R0.10 CCC(C#N)(CC)N[13CH3] 2230a_100000746712_200025704644 [0,2,0,0,0,0|2,0,0]=4 728 B8R0.10 CCC(CC)(CC)OC 7a_100000760225_200000210301 [0,2,0,0,0,0|0,0,2]=4 729 B8R0.10 CCC(CC)(CC)O[13CH3] 7a_100000760225_200025704644 [0,2,0,0,0,0|0,0,2]=4 730 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 731 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 732 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 733 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 734 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 735 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|1,0,1]=4 736 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 737 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|1,0,1]=4 738 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|1,0,1]=4 739 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|1,0,1]=4 740 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|1,0,1]=4 741 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 742 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 743 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|1,0,1]=4 744 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|1,0,1]=4 745 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|1,0,1]=4 746 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|1,0,1]=4 747 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|1,0,1]=4 748 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|1,0,1]=4 749 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,1,0,1,0,0|0,0,2]=4 750 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,1,0,1,0,0|0,0,2]=4 751 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,1,0,1,0,0|0,0,2]=4 752 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,1,0,1,0,0|0,0,2]=4 753 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,1,0,1,0,0|0,0,2]=4 754 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,1,0,1,0,0|0,0,2]=4 755 B8R1.52 CC1(CCOC1)N[13CH3] 2230a_100000693475_200025704644 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.52 CNC1(CCOC1)C 2230a_100000693475_200000210301 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,1,0,1,0,0|0,0,2]=4 758 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,1,0,1,0,0|0,0,2]=4 759 B8R1.62 CC1(CN(C1)[13CH3])C#N 2230a_100000725210_200025704644 [0,1,0,1,0,0|2,0,0]=4 760 B8R1.62 CCC1(CN(C1)C)O 2230a_100015191684_200000210301 [0,1,0,1,0,0|0,0,2]=4 761 B8R1.62 CCC1(CN(C1)C)O 269982a_100015191684_200000210301 [0,1,0,1,0,0|0,0,2]=4 762 B8R1.62 CCC1(CN(C1)[13CH3])O 2230a_100015191684_200025704644 [0,1,0,1,0,0|0,0,2]=4 763 B8R1.62 CCC1(CN(C1)[13CH3])O 269982a_100015191684_200025704644 [0,1,0,1,0,0|0,0,2]=4 764 B8R1.62 CN1CC(C1)(C)C#N 2230a_100000725210_200000210301 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.66 CNCC1(CCC1)O 2230a_100000752638_200000210301 [0,1,0,1,0,0|0,0,2]=4 766 B8R1.66 CNCC1(COC1)O 2230a_100010264505_200000210301 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.66 [13CH3]NCC1(CCC1)O 2230a_100000752638_200025704644 [0,1,0,1,0,0|0,0,2]=4 768 B8R1.66 [13CH3]NCC1(COC1)O 2230a_100010264505_200025704644 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.82 C#CC1(CC1)NCC 34a_100020639468_100000210202 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.82 C#CC1(CC1)NCF 34a_100020639468_100015361967 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.82 CCC1(CO1)CNC 34a_100102657272_200000139556 [0,1,0,1,0,0|0,0,2]=4 772 B8R1.82 CCC1(CO1)CNC 7a_106832991635_200000139556 [0,1,0,1,0,0|0,0,2]=4 773 B8R1.82 CCC1(CO1)COC 34a_100138415774_200000139556 [0,1,0,1,0,0|0,0,2]=4 774 B8R1.82 CCC1(CO1)CSC 62a_200000139556_200000210301 [0,1,0,1,0,0|0,0,2]=4 775 B8R1.82 CCC1(CO1)CSC 62a_200000210301_200000139556 [0,1,0,1,0,0|0,0,2]=4 776 B8R1.82 CCC1(CO1)CS[13CH3] 62a_200000139556_200025704644 [0,1,0,1,0,0|0,0,2]=4 777 B8R1.82 CCC1(CO1)CS[13CH3] 62a_200025704644_200000139556 [0,1,0,1,0,0|0,0,2]=4 778 B8R1.82 CCNC1(CC1)C#N 2230a_100000756336_100000210202 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.82 CCNC1(CC1)C#N 34a_100000756336_100000210202 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.82 CCOC1(CC1)C#N 34a_100121572206_100009889376 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.82 CCSC1(CC1)C#N 62a_100000210202_100009889376 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.82 CCSC1(CC1)C#N 62a_100009889376_100000210202 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.82 CNCC1(CC1)C#N 2230a_100000725504_200000210301 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.82 CNCC1(CC1)C#N 2230a_106832991635_100000695377 [0,1,0,1,0,0|2,0,0]=4 785 B8R1.82 CNCC1(CC1)C#N 34a_100102657272_100000695377 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.82 CNCC1(CC1)C#N 7a_106832991635_100000695377 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.82 COCC1(CC1)C#N 34a_100000688837_200000210301 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.82 COCC1(CC1)C#N 34a_100138415774_100000695377 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.82 COCC1(CC1)C#N 7a_100000688837_200000210301 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.82 CSCC1(CC1)C#N 62a_100000695377_200000210301 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.82 CSCC1(CC1)C#N 62a_200000210301_100000695377 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.82 [13CH3]NCC1(CC1)C#N 2230a_100000725504_200025704644 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.82 [13CH3]OCC1(CC1)C#N 34a_100000688837_200025704644 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.82 [13CH3]OCC1(CC1)C#N 7a_100000688837_200025704644 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.82 [13CH3]SCC1(CC1)C#N 62a_100000695377_200025704644 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.82 [13CH3]SCC1(CC1)C#N 62a_200025704644_100000695377 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.63 C#CC1(CC1)C(=O)C 1458a_100000139144_200000210301 [0,1,0,1,0,0|1,0,1]=4 798 B8R1.63 C#CC1(CC1)C(=O)[13CH3] 1458a_100000139144_200025704644 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,1,0,0|0,0,2]=4 800 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,1,0,0|0,0,2]=4 801 B8R1.60 C#CC1(COC1)OC 34a_100010264503_200000210301 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.60 C#CC1(COC1)O[13CH3] 34a_100010264503_200025704644 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.60 CCC1(COC1)OC 7a_100010739965_200000210301 [0,1,0,1,0,0|1,0,1]=4 804 B8R1.60 CCC1(COC1)O[13CH3] 7a_100010739965_200025704644 [0,1,0,1,0,0|1,0,1]=4 805 B8R1.60 CNC1(CCC1)C#N 34a_100000739455_200000210301 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.60 CNC1(CCC1)CO 2230a_100016993734_200000210301 [0,1,0,1,0,0|1,0,1]=4 807 B8R1.60 [13CH3]NC1(CCC1)C#N 34a_100000739455_200025704644 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.60 [13CH3]NC1(CCC1)CO 2230a_100016993734_200025704644 [0,1,0,1,0,0|1,0,1]=4