0 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,0,0,0,0,0|0,1,2]=3 2 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,0,0,0,0,0|1,1,2]=4 5 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,0,0,0,0,0|0,1,2]=3 11 B7R0.9 CC(C)NC(C)(C)C 2230a_100000715429_100000210206 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.9 CC(C)NC(C)(C)C 34a_100138425928_100000210625 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.9 CC(C)SC(C)(C)C 62a_100000210206_100000211941 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.9 CC(C)SC(C)(C)C 62a_100000211941_100000210206 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,0,0,0,0,0|2,1,0]=3 22 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,0,0,0,0,0|2,1,0]=3 23 B7R0.9 CN(C)C[N+](C)(C)C 269982a_100102631434_200000036245 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.9 CN(C)C[Si](C)(C)C 2230a_100102631434_100000037933 [0,0,0,0,0,0|3,1,0]=4 25 B7R0.9 CN(C)C[Si](C)(C)C 269982a_200020589227_200000210301 [0,0,0,0,0,0|3,1,0]=4 26 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,0,0,0,0,0|2,1,0]=3 29 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,0,0,0,0,0|2,1,0]=3 30 B7R0.9 CN([13CH3])C[Si](C)(C)C 269982a_200020589227_200025704644 [0,0,0,0,0,0|3,1,0]=4 31 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,0,0,0,0,0|1,1,2]=4 33 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|0,1,1]=3 42 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|0,1,1]=3 44 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|0,0,2]=3 50 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,0,0,0,0|1,0,0]=2 62 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.2 CN(C)CC(F)F 2230a_100102631434_100011934356 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.2 CN(C)CC(F)F 269982a_100102631434_100011934356 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|0,1,1]=3 73 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,0,0,0,0|1,0,0]=2 74 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,0,0,0,0,0|1,1,0]=3 88 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,0,0,0,0,0|1,1,0]=3 89 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,0,0,0,0,0|1,1,0]=3 90 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,0,0,0,0,0|1,1,0]=3 103 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,0,0,0,0,0|1,1,0]=3 104 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,0,0,0,0,0|1,1,0]=3 105 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [1,0,0,0,0,0|2,1,0]=4 106 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [1,0,0,0,0,0|2,1,0]=4 107 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,0,0,0,0,0|1,1,0]=3 111 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,0,0,0,0,0|1,1,0]=3 117 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,0,0,0,0,0|1,1,0]=3 118 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [1,0,0,0,0,0|2,1,0]=4 121 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [1,0,0,0,0,0|2,1,0]=4 122 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [1,0,0,0,0,0|2,1,0]=4 125 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [1,0,0,0,0,0|2,1,0]=4 126 B8R0.24 C#CC(C)NC(C)(C)C 34a_100000707721_100000210625 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.24 C#CC(C)OC(C)(C)C 34a_100015890283_200000035995 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.24 C#CC(C)SC(C)(C)C 62a_200000035995_100000211941 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.24 C#C[C@@H](C)OC(C)(C)C 34a_100009815206_100000210625 [0,1,0,0,0,0|3,0,0]=4 130 B8R0.24 C=CC(C)OC(C)(C)C 34a_100000695699_100000210625 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.24 C=CC(C)SC(C)(C)C 62a_100011215867_100000211941 [0,1,0,0,0,0|3,0,0]=4 132 B8R0.24 CC(C#N)NC(C)(C)C 2230a_100000715429_100000184139 [0,1,0,0,0,0|3,0,0]=4 133 B8R0.24 CC(C#N)OC(C)(C)C 34a_100011218135_100000210625 [0,1,0,0,0,0|3,0,0]=4 134 B8R0.24 CC(C#N)OC(C)(C)C 7a_100015890283_100000703298 [0,1,0,0,0,0|3,0,0]=4 135 B8R0.24 CC(C#N)SC(C)(C)C 62a_100000211941_100000703298 [0,1,0,0,0,0|3,0,0]=4 136 B8R0.24 CC(C#N)SC(C)(C)C 62a_100000703298_100000211941 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,1,0,0,0,0|0,1,2]=4 139 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [0,1,0,0,0,0|1,0,0]=2 140 B8R0.24 CC(CC(F)(F)F)O[13CH3] 34a_200011470763_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.24 CC(CC(F)(F)F)O[13CH3] 7a_200011470763_200025704644 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.24 CC(CF)OC(C)(C)C 34a_100016041109_100000210625 [0,1,0,0,0,0|3,0,0]=4 143 B8R0.24 CC(CN)OC(C)(C)C 34a_100000210904_100000210625 [0,1,0,0,0,0|3,0,0]=4 144 B8R0.24 CC(CO)NC(C)(C)C 2230a_100000715429_100012180447 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.24 CC(CO)OC(C)(C)C 34a_100015890283_100012180447 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.24 CC(CO)OC(C)(C)C 7a_100015890283_100012180447 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.24 CC(CO)SC(C)(C)C 62a_100012180447_100000211941 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,1,0,0,0,0|0,1,2]=4 150 B8R0.24 CCC(C)NC(C)(C)C 2230a_100000715429_100000758301 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.24 CCC(C)OC(C)(C)C 34a_100015890283_100011215416 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.24 CCC(C)OC(C)(C)C 7a_100015890283_100000758301 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.24 CCC(C)SC(C)(C)C 62a_100000211941_100000758301 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.24 CCC(C)SC(C)(C)C 62a_100000758301_100000211941 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000732750_200000210301 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000742839_100000210202 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000732750_200000210301 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000742839_100000204670 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755687_200000210301 [0,1,0,0,0,0|2,1,0]=4 160 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755907_100000210202 [0,1,0,0,0,0|2,1,0]=4 161 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755687_200000210301 [0,1,0,0,0,0|2,1,0]=4 162 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755907_100000204670 [0,1,0,0,0,0|2,1,0]=4 163 B8R0.24 CCN([13CH3])CC(C)(C)C 2230a_100000732750_200025704644 [0,1,0,0,0,0|3,0,0]=4 164 B8R0.24 CCN([13CH3])CC(C)(C)C 269982a_100000732750_200025704644 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.24 CCN([13CH3])CC(C)(C)O 2230a_100000755687_200025704644 [0,1,0,0,0,0|2,1,0]=4 166 B8R0.24 CCN([13CH3])CC(C)(C)O 269982a_100000755687_200025704644 [0,1,0,0,0,0|2,1,0]=4 167 B8R0.24 CN(CF)CC(C)(C)C 269982a_100000742839_100015361967 [0,1,0,0,0,0|3,0,0]=4 168 B8R0.24 CN(CF)CC(C)(C)O 269982a_100000755907_100015361967 [0,1,0,0,0,0|2,1,0]=4 169 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,1,0,0,0,0|1,0,2]=4 172 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,1,0,0,0,0|0,1,2]=4 174 B8R0.24 CN[C@@H](C)CC(C)(C)C 2230a_106358413534_200000210301 [0,1,0,0,0,0|2,0,0]=3 175 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [0,1,0,0,0,0|1,0,0]=2 176 B8R0.24 COC(C)CC(F)(F)F 34a_100138415774_200000065471 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.24 COC(C)CC(F)(F)F 34a_200011470763_200000210301 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.24 COC(C)CC(F)(F)F 7a_200011470763_200000210301 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.24 COC(C)SC(C)(C)C 62a_100000211941_100009879195 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.24 COC(C)SC(C)(C)C 62a_100009879195_100000211941 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.24 C[C@@H](CC(C)(C)C)N[13CH3] 2230a_106358413534_200025704644 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.24 C[C@H](CO)SC(C)(C)C 62a_100000211941_100016084084 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.24 C[C@H](CO)SC(C)(C)C 62a_100016084084_100000211941 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,1,0,0,0,0|1,0,2]=4 185 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,1,0,0,0,0|1,0,2]=4 186 B8R0.27 CC(C)C(=O)C(C)(C)C 1458a_106744555173_100000210206 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.27 CC(C)C(=O)C(C)(C)F 1458a_100000765255_100000210206 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [0,1,0,0,0,0|1,1,1]=4 189 B8R0.27 CC(C)N(C)C(C)(C)C 269982a_100011215553_100000210206 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.27 CC(C)N(C)C(C)(C)C 269982a_200000211004_100000210625 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.27 CC(C)N(C)C(C)(C)C 269982a_200020682127_200000210301 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.27 CC(C)N([13CH3])C(C)(C)C 269982a_200020682127_200025704644 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.27 CC(N(C)C)C(C)(C)C 2230a_100000745498_200000210301 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.27 CC(N(C)C)C(C)(C)C 269982a_100000745498_200000210301 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.27 CC(N(C)[13CH3])C(C)(C)C 2230a_100000745498_200025704644 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.27 CC(N(C)[13CH3])C(C)(C)C 269982a_100000745498_200025704644 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.33 CC(C)(C)OC(C)(C)C 34a_100015890283_100000210625 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.33 CC(C)(C)SC(C)(C)C 62a_100000211941_100000211941 [0,1,0,0,0,0|3,0,0]=4 199 B8R0.34 C#CC(C)(C)NC(C)C 34a_100000054563_100000210206 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.34 C#CC(C)(C)NC(C)C 34a_100138425928_100000038118 [0,1,0,0,0,0|3,0,0]=4 201 B8R0.34 C#CC(C)(C)OC(C)C 34a_100000189450_100000210206 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.34 C#CC(C)(C)OC(C)C 34a_100000212225_100000038118 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.34 C#CC(C)(C)OC(C)C 7a_100000189450_100000210206 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.34 C#CC(C)(C)SC(C)C 62a_100000038118_100000210206 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.34 C#CC(C)(C)SC(C)C 62a_100000210206_100000038118 [0,1,0,0,0,0|3,0,0]=4 206 B8R0.34 C=CC(C)(C)OC(C)C 34a_100011215311_100000210206 [0,1,0,0,0,0|3,0,0]=4 207 B8R0.34 C=CC(C)(C)OC(C)C 7a_100011215311_100000210206 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,0,0|0,1,2]=4 209 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.34 CC(C)CC(C)(C)N[13CH3] 2230a_100011346068_200025704644 [0,1,0,0,0,0|2,0,0]=3 211 B8R0.34 CC(C)NC(C)(C)C#N 34a_100138425928_100011162410 [0,1,0,0,0,0|3,0,0]=4 212 B8R0.34 CC(C)NC(C)(C)CO 2230a_100000210608_100000210206 [0,1,0,0,0,0|2,1,0]=4 213 B8R0.34 CC(C)OC(C)(C)C#N 34a_100000212225_100011162410 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.34 CC(C)OC(C)(C)C#N 34a_200015195151_100000210206 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.34 CC(C)OC(C)(C)CCl 7a_100000764493_100000210206 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.34 CC(C)SC(C)(C)C#N 62a_100000210206_100011162410 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.34 CC(C)SC(C)(C)C#N 62a_100011162410_100000210206 [0,1,0,0,0,0|3,0,0]=4 218 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.34 CCC(C)(C)NC(C)C 2230a_100000211385_100000210206 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.34 CCC(C)(C)OC(C)C 7a_100000210230_100000210206 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.34 CCC(C)(C)SC(C)C 62a_100000032637_100000210206 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.34 CCC(C)(C)SC(C)C 62a_100000210206_100000032637 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,0,0|0,1,2]=4 225 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,0,0|0,1,2]=4 226 B8R0.34 CN(C)CC(C)(C)CO 2230a_100000732702_200000210301 [0,1,0,0,0,0|2,1,0]=4 227 B8R0.34 CN(C)CC(C)(C)CO 269982a_100000732702_200000210301 [0,1,0,0,0,0|2,1,0]=4 228 B8R0.34 CN(C)CC(C)(C)N[13CH3] 2230a_100015183317_200025704644 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.34 CN([13CH3])CC(C)(C)CO 2230a_100000732702_200025704644 [0,1,0,0,0,0|2,1,0]=4 230 B8R0.34 CN([13CH3])CC(C)(C)CO 269982a_100000732702_200025704644 [0,1,0,0,0,0|2,1,0]=4 231 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.34 CNC(C)(C)CC(C)C 2230a_100011346068_200000210301 [0,1,0,0,0,0|2,0,0]=3 233 B8R0.34 CNC(C)(C)CN(C)C 2230a_100015183317_200000210301 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,0,0|0,1,2]=4 235 B8R0.34 COC(C)(C)CN(C)C 269982a_100102631434_100000701081 [0,1,0,0,0,0|2,1,0]=4 236 B8R0.34 CSC(C)(C)CN(C)C 270004a_100102631434_100009845794 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,0,0|0,1,2]=4 239 B8R1.42 CC(C)NC1(CC1)C 2230a_100000757604_100000210206 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.42 CC(C)OC1(CC1)C 7a_100011725673_100000210206 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,0,0|1,0,2]=4 242 B8R1.42 CN(C)CC1(CO1)C 269982a_100102631434_100000760498 [0,0,0,1,0,0|2,1,0]=4 243 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,0,0,1,0,0|2,1,0]=4 246 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,0,0,1,0,0|2,1,0]=4 247 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 248 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,0,0,1,0,0|2,1,0]=4 250 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,0,0,1,0,0|2,1,0]=4 251 B8R1.56 CC(C)(C)NC1CC1 34a_100000212008_100000210625 [0,0,0,1,0,0|3,0,0]=4 252 B8R1.56 CC(C)(C)OC1CC1 34a_100015890283_100000211595 [0,0,0,1,0,0|3,0,0]=4 253 B8R1.56 CC(C)(C)SC1CC1 62a_100000211941_100000211595 [0,0,0,1,0,0|3,0,0]=4 254 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|1,0,2]=4 255 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|1,0,2]=4 256 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,0,0,0,1,0|1,0,2]=4 257 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,0,0,0,1,0|1,0,2]=4 258 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,0,0,0,1,0|0,1,2]=4 259 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,0,0,0,1,0|1,0,2]=4 260 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,0,0,0,1,0|1,0,2]=4 261 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,0,0,0,1,0|0,1,2]=4 262 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,0,0,0,1,0|3,0,0]=4 263 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,0,0,0,1,0|3,0,0]=4 264 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,0,0,0,1,0|3,0,0]=4 265 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,0,0,0,0,1|2,0,1]=4 266 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,0,0,0,0,1|2,0,1]=4 267 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,0,0,0,0,1|2,0,1]=4 268 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,0,0,0,0,1|2,0,1]=4 269 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,0,0,0,0,1|2,0,1]=4 270 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,0,0,0,0,1|2,0,1]=4 271 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,0,0,0,0,1|1,0,2]=4 272 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,0,0,0,0,1|1,0,2]=4 273 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,0,0,0,0,1|1,0,2]=4 274 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,0,0,0,0,1|1,0,2]=4 275 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,0,0,0,0,1|1,0,2]=4 276 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,0,0,0,0,1|1,0,2]=4 277 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,0,0,0,0,1|1,0,2]=4 278 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,0,0,0,0,1|1,0,2]=4 279 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,0,0,0,0,1|1,0,2]=4 280 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,0,0,0,0,1|1,0,2]=4 281 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,0,0,0,0,1|1,0,2]=4 282 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,0,0,0,0,1|1,0,2]=4 283 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,0,0,0,0,1|0,1,2]=4 284 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,0,0,0,0,1|0,1,2]=4 285 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,0,0,0,0,1|0,1,2]=4 286 B8R0.29 CC(Br)COC(C)(C)C 34a_100012180447_100000210625 [0,0,0,0,0,1|2,0,0]=3 287 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,0,0,0,0,1|1,0,2]=4 288 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,0,0,0,0,1|2,0,1]=4 289 B8R0.29 CC(C)(C)NCC(F)F 2230a_100000715429_100011934356 [0,0,0,0,0,1|3,0,0]=4 290 B8R0.29 CC(C)(C)NCC(F)F 34a_100000765723_100000210625 [0,0,0,0,0,1|3,0,0]=4 291 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,0,0,0,0,1|1,0,2]=4 292 B8R0.29 CC(C)(C)OCC(F)F 34a_100000743014_100000210625 [0,0,0,0,0,1|3,0,0]=4 293 B8R0.29 CC(C)(C)OCC(F)F 34a_100015890283_100011934356 [0,0,0,0,0,1|3,0,0]=4 294 B8R0.29 CC(C)(C)OCC(F)F 7a_100015890283_100011934356 [0,0,0,0,0,1|3,0,0]=4 295 B8R0.29 CC(C)(C)SCC(F)F 62a_100000211941_100011934356 [0,0,0,0,0,1|3,0,0]=4 296 B8R0.29 CC(C)(C)SCC(F)F 62a_100011934356_100000211941 [0,0,0,0,0,1|3,0,0]=4 297 B8R0.29 CC(C)CNC(C)(C)C 2230a_100000715429_100000210760 [0,0,0,0,0,1|2,0,0]=3 298 B8R0.29 CC(C)CNC(C)(C)C 34a_100000210953_100000210625 [0,0,0,0,0,1|2,0,0]=3 299 B8R0.29 CC(C)COC(C)(C)C 34a_100000210257_100000210625 [0,0,0,0,0,1|2,0,0]=3 300 B8R0.29 CC(C)COC(C)(C)C 34a_100015890283_100000210624 [0,0,0,0,0,1|2,0,0]=3 301 B8R0.29 CC(C)COC(C)(C)C 7a_100015890283_100000210760 [0,0,0,0,0,1|2,0,0]=3 302 B8R0.29 CC(C)CSC(C)(C)C 62a_100000210624_100000211941 [0,0,0,0,0,1|2,0,0]=3 303 B8R0.29 CC(C)CSC(C)(C)C 62a_100000211941_100000210760 [0,0,0,0,0,1|2,0,0]=3 304 B8R0.29 CC(C)NCC(C)(C)C 2230a_100000743828_100000210206 [0,0,0,0,0,1|2,0,0]=3 305 B8R0.29 CC(C)NCC(C)(C)C 34a_100138425928_100011219605 [0,0,0,0,0,1|2,0,0]=3 306 B8R0.29 CC(C)NCC(C)(C)F 2230a_100020643315_100000210206 [0,0,0,0,0,1|2,0,0]=3 307 B8R0.29 CC(C)NCC(C)(C)F 34a_100138425928_100011997219 [0,0,0,0,0,1|2,0,0]=3 308 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [0,0,0,0,0,1|1,1,0]=3 309 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [0,0,0,0,0,1|1,1,0]=3 310 B8R0.29 CC(C)NC[Si](C)(C)C 2230a_100138425928_100000037933 [0,0,0,0,0,1|2,1,0]=4 311 B8R0.29 CC(C)OCC(C)(C)C 34a_100000212225_100011219605 [0,0,0,0,0,1|2,0,0]=3 312 B8R0.29 CC(C)OCC(C)(C)F 34a_100000212225_100011997219 [0,0,0,0,0,1|2,0,0]=3 313 B8R0.29 CC(C)OCC(C)(C)F 34a_100000716592_100000210206 [0,0,0,0,0,1|2,0,0]=3 314 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,0,0,0,0,1|1,1,0]=3 315 B8R0.29 CC(C)OCC(C)(F)F 34a_100000068830_100000210206 [0,0,0,0,0,1|3,0,0]=4 316 B8R0.29 CC(C)SCC(C)(C)C 62a_100000210206_100011219605 [0,0,0,0,0,1|2,0,0]=3 317 B8R0.29 CC(C)SCC(C)(C)C 62a_100011219605_100000210206 [0,0,0,0,0,1|2,0,0]=3 318 B8R0.29 CC(C)SCC(C)(C)F 62a_100000210206_100011997219 [0,0,0,0,0,1|2,0,0]=3 319 B8R0.29 CC(C)SCC(C)(C)F 62a_100011997219_100000210206 [0,0,0,0,0,1|2,0,0]=3 320 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,0,0,0,0,1|1,1,0]=3 321 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,0,0,0,0,1|1,1,0]=3 322 B8R0.29 CC(C)SC[N+](C)(C)C 62a_100000210206_200000036245 [0,0,0,0,0,1|3,0,0]=4 323 B8R0.29 CC(C)SC[N+](C)(C)C 62a_200000036245_100000210206 [0,0,0,0,0,1|3,0,0]=4 324 B8R0.29 CC(C)SC[Si](C)(C)C 62a_100000037933_100000210206 [0,0,0,0,0,1|2,1,0]=4 325 B8R0.29 CC(C)SC[Si](C)(C)C 62a_100000210206_100000037933 [0,0,0,0,0,1|2,1,0]=4 326 B8R0.29 CC(F)COC(C)(C)C 34a_100015925927_100000210625 [0,0,0,0,0,1|2,0,0]=3 327 B8R0.29 CC(O)CNC(C)(C)C 2230a_100000715429_100011218427 [0,0,0,0,0,1|1,0,0]=2 328 B8R0.29 CC(O)CNC(C)(C)C 34a_100000210904_100000210625 [0,0,0,0,0,1|1,0,0]=2 329 B8R0.29 CC(O)CNC(F)(F)F 34a_100000210904_200103152311 [0,0,0,0,0,1|3,0,0]=4 330 B8R0.29 CC(O)CNS(=O)(=O)C 40a_100000210904_100000738038 [0,0,0,0,0,1|2,1,0]=4 331 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,0,0,0,0,1|1,0,0]=2 332 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,0,0,0,0,1|1,0,0]=2 333 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,0,0,0,0,1|1,0,0]=2 334 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,0,0,0,0,1|1,0,0]=2 335 B8R0.29 CC(O)CSC(F)(F)F 62a_100011218427_200103152311 [0,0,0,0,0,1|3,0,0]=4 336 B8R0.29 CC(O)CSC(F)(F)F 62a_200000243211_100011218427 [0,0,0,0,0,1|3,0,0]=4 337 B8R0.29 CN(C)CCC(C)(C)C 2230a_100102631434_100000755188 [0,0,0,0,0,1|3,0,0]=4 338 B8R0.29 CN(C)CCC(C)(C)C 269982a_100102631434_100000755188 [0,0,0,0,0,1|3,0,0]=4 339 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,0,0,0,0,1|2,1,0]=4 340 B8R0.29 C[C@@H](Cl)COC(C)(C)C 34a_100016084084_100000210625 [0,0,0,0,0,1|2,0,0]=3 341 B8R0.29 C[C@@H](N)COC(C)(C)C 34a_100000737577_100000210625 [0,0,0,0,0,1|2,0,0]=3 342 B8R0.29 C[C@@H](O)CNC(C)(C)C 2230a_100000715429_100009817552 [0,0,0,0,0,1|1,0,0]=2 343 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,0,0,0,0,1|1,0,0]=2 344 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,0,0,0,0,1|1,0,0]=2 345 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,0,0,0,0,1|1,0,0]=2 346 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,0,0,0,0,1|1,0,0]=2 347 B8R0.29 C[C@@H](O)CSC(F)(F)F 62a_100009817552_200103152311 [0,0,0,0,0,1|3,0,0]=4 348 B8R0.29 C[C@@H](O)CSC(F)(F)F 62a_200000243211_100009817552 [0,0,0,0,0,1|3,0,0]=4 349 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|0,1,1]=4 350 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|0,1,1]=4 351 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|1,0,0]=3 353 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|1,0,0]=3 354 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,0]=3 356 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,0]=3 357 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 363 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 364 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|1,0,0]=3 365 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|1,0,0]=3 366 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,2]=4 367 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,2]=4 368 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,2]=4 369 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,0]=3 370 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,0]=3 371 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,0]=3 373 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,0]=3 374 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,0]=3 375 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,0]=3 376 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,0]=3 377 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,0]=3 378 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 383 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,0]=3 385 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,0]=3 387 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,0]=3 388 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,0]=3 390 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|1,0,0]=3 392 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|1,0,0]=3 393 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 399 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|1,0,0]=3 401 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|1,0,0]=3 402 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|1,0,0]=3 403 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|1,0,0]=3 404 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,0,0]=3 406 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,0,0]=3 407 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|1,0,0]=3 409 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|1,0,0]=3 414 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,0]=3 415 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,0]=3 416 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|1,0,0]=3 417 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|1,0,0]=3 421 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|1,0,0]=3 422 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 424 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|1,0,0]=3 425 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|1,0,0]=3 426 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|0,1,1]=4 427 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [2,0,0,0,0,0|2,0,0]=4 430 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [2,0,0,0,0,0|2,0,0]=4 431 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [2,0,0,0,0,0|2,0,0]=4 432 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [2,0,0,0,0,0|2,0,0]=4 433 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [2,0,0,0,0,0|2,0,0]=4 434 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [2,0,0,0,0,0|2,0,0]=4 435 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [2,0,0,0,0,0|2,0,0]=4 436 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [2,0,0,0,0,0|2,0,0]=4 437 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [2,0,0,0,0,0|2,0,0]=4 438 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [2,0,0,0,0,0|2,0,0]=4 439 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.2 C#CC(C)SC(C)C 62a_200000035995_100000210206 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,1,0,0,0,0|0,0,2]=4 450 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|0,0,2]=4 451 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|0,0,2]=4 452 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|0,0,2]=4 453 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|0,0,0]=2 455 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|0,0,0]=2 456 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|0,1,0]=3 457 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|0,1,0]=3 458 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,1,0,0,0,0|1,0,0]=3 464 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [1,1,0,0,0,0|2,0,0]=4 465 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [1,1,0,0,0,0|2,0,0]=4 467 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [1,1,0,0,0,0|2,0,0]=4 468 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.2 CC(C)SC(C)C#N 62a_100000210206_100000703298 [1,1,0,0,0,0|2,0,0]=4 470 B7R0.2 CC(C)SC(C)C#N 62a_100000703298_100000210206 [1,1,0,0,0,0|2,0,0]=4 471 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [1,1,0,0,0,0|1,1,0]=4 475 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [1,1,0,0,0,0|1,1,0]=4 476 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|0,1,1]=4 477 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [1,1,0,0,0,0|1,0,0]=3 478 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|0,0,2]=4 479 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|0,0,2]=4 480 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,1,1]=4 481 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,1,1]=4 482 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|0,0,2]=4 483 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|0,0,2]=4 484 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|0,0,2]=4 485 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 486 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 487 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,1,0,0,0,0|2,0,0]=4 490 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|0,1,1]=4 500 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|0,1,1]=4 501 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|0,1,1]=4 502 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 509 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,1,0,0,0,0|1,0,0]=3 511 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,1,0,0,0,0|1,0,0]=3 512 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,1,0,0,0,0|1,0,0]=3 513 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,1,0,0,0,0|1,0,0]=3 514 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,1,0,0,0,0|1,0,0]=3 515 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,1,0,0,0,0|1,0,0]=3 516 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,1,0,0,0,0|1,0,0]=3 517 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,1,0,0,0,0|1,0,0]=3 518 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,1,0,0,0,0|1,0,0]=3 521 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,1,0,0,0,0|1,0,0]=3 522 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|0,0,2]=4 523 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 524 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [1,1,0,0,0,0|1,0,0]=3 526 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [1,1,0,0,0,0|1,0,0]=3 527 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [1,1,0,0,0,0|1,0,0]=3 528 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [1,1,0,0,0,0|1,0,0]=3 529 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [1,1,0,0,0,0|1,0,0]=3 530 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [1,1,0,0,0,0|1,0,0]=3 531 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|0,0,2]=4 533 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|0,0,2]=4 534 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|0,0,2]=4 535 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|0,0,2]=4 536 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|0,1,1]=4 537 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|1,0,0]=3 538 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,1,0,0,0,0|0,0,2]=4 542 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|0,0,0]=2 543 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|0,0,0]=2 544 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|0,0,0]=2 545 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [1,1,0,0,0,0|1,0,0]=3 546 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|0,1,0]=3 548 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|0,1,0]=3 549 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [1,1,0,0,0,0|1,1,0]=4 550 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [1,1,0,0,0,0|1,1,0]=4 551 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [1,1,0,0,0,0|1,0,0]=3 552 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [1,1,0,0,0,0|1,0,0]=3 553 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|0,1,1]=4 554 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|0,0,2]=4 555 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|0,0,2]=4 556 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [1,1,0,0,0,0|1,0,1]=4 559 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [1,1,0,0,0,0|0,0,1]=3 560 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [1,1,0,0,0,0|0,0,1]=3 561 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|0,0,2]=4 562 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [1,1,0,0,0,0|2,0,0]=4 571 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|0,0,2]=4 574 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [1,1,0,0,0,0|1,0,1]=4 575 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [1,1,0,0,0,0|1,0,1]=4 576 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [1,1,0,0,0,0|1,0,0]=3 578 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|1,0,0]=3 580 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|1,0,0]=3 581 B7R0.8 CC(C)(C)CSCF 62a_100011219605_100015361967 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.8 CC(C)(C)CSCF 62a_100015361967_100011219605 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.8 CC(C)(C)NCCF 2230a_100000715429_100011217306 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.8 CC(C)(C)NCCF 34a_100000724931_100000210625 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [1,1,0,0,0,0|1,0,0]=3 586 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [1,1,0,0,0,0|1,0,0]=3 587 B7R0.8 CC(C)(C)OCCBr 34a_100000211926_100000210625 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.8 CC(C)(C)OCCF 34a_100015890283_100011217306 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.8 CC(C)(C)OCCF 7a_100015890283_100011217306 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.8 CC(C)(C)OCCN 34a_100000210304_100000210625 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [1,1,0,0,0,0|1,0,0]=3 592 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [1,1,0,0,0,0|1,0,0]=3 593 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [1,1,0,0,0,0|1,0,0]=3 596 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [1,1,0,0,0,0|1,0,0]=3 597 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.8 CC(C)(F)COCF 34a_100000716592_100015361967 [1,1,0,0,0,0|2,0,0]=4 599 B7R0.8 CC(C)(F)CSCF 62a_100011997219_100015361967 [1,1,0,0,0,0|2,0,0]=4 600 B7R0.8 CC(C)(F)CSCF 62a_100015361967_100011997219 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|0,1,0]=3 602 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|0,1,0]=3 603 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [1,1,0,0,0,0|1,1,0]=4 604 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [1,1,0,0,0,0|1,1,0]=4 605 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [1,1,0,0,0,0|1,0,0]=3 607 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [1,1,0,0,0,0|1,0,0]=3 608 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [1,1,0,0,0,0|1,0,0]=3 609 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [1,1,0,0,0,0|1,0,0]=3 610 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [1,1,0,0,0,0|1,0,0]=3 611 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [1,1,0,0,0,0|1,0,0]=3 612 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [1,1,0,0,0,0|1,0,0]=3 613 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [1,1,0,0,0,0|1,0,0]=3 614 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [1,1,0,0,0,0|0,1,0]=3 615 B7R0.8 CCNC[Si](C)(C)C 2230a_100015525214_100000037933 [1,1,0,0,0,0|1,1,0]=4 616 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [1,1,0,0,0,0|1,0,0]=3 618 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [1,1,0,0,0,0|1,0,0]=3 619 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [1,1,0,0,0,0|0,1,0]=3 620 B7R0.8 CCOCC(C)(F)F 34a_100000068830_100000210202 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [1,1,0,0,0,0|1,0,0]=3 622 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [1,1,0,0,0,0|1,0,0]=3 623 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [1,1,0,0,0,0|1,0,0]=3 624 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [1,1,0,0,0,0|1,0,0]=3 625 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [1,1,0,0,0,0|0,1,0]=3 626 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [1,1,0,0,0,0|0,1,0]=3 627 B7R0.8 CCSC[N+](C)(C)C 62a_100000210202_200000036245 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.8 CCSC[N+](C)(C)C 62a_200000036245_100000210202 [1,1,0,0,0,0|2,0,0]=4 629 B7R0.8 CCSC[Si](C)(C)C 62a_100000037933_100000210202 [1,1,0,0,0,0|1,1,0]=4 630 B7R0.8 CCSC[Si](C)(C)C 62a_100000210202_100000037933 [1,1,0,0,0,0|1,1,0]=4 631 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [1,1,0,0,0,0|1,0,0]=3 632 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [1,1,0,0,0,0|1,0,0]=3 633 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [1,1,0,0,0,0|1,0,0]=3 634 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [1,1,0,0,0,0|1,0,0]=3 635 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [1,1,0,0,0,0|1,0,0]=3 636 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [1,1,0,0,0,0|0,1,0]=3 637 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [1,1,0,0,0,0|0,1,0]=3 638 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [1,1,0,0,0,0|0,1,0]=3 639 B7R0.8 CNCC[N+](C)(C)C 34a_100102657272_100000085578 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.8 CNCC[N+](C)(C)C 7a_106832991635_100000085578 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.8 CNCC[Si](C)(C)C 2230a_106832991635_200000733723 [1,1,0,0,0,0|1,1,0]=4 642 B7R0.8 CNCC[Si](C)(C)C 34a_100102657272_200000733723 [1,1,0,0,0,0|1,1,0]=4 643 B7R0.8 CNCC[Si](C)(C)C 7a_106832991635_200000733723 [1,1,0,0,0,0|1,1,0]=4 644 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|1,0,0]=3 645 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|1,0,0]=3 646 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [1,1,0,0,0,0|0,1,0]=3 647 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [1,1,0,0,0,0|2,0,0]=4 648 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [1,1,0,0,0,0|2,0,0]=4 649 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [1,1,0,0,0,0|1,1,0]=4 650 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [1,1,0,0,0,0|1,1,0]=4 651 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [1,1,0,0,0,0|2,0,0]=4 652 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [1,1,0,0,0,0|2,0,0]=4 654 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|1,0,0]=3 655 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|1,0,0]=3 656 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|0,1,0]=3 657 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|0,1,0]=3 658 B7R0.8 CSCC[N+](C)(C)C 62a_100000085578_200000210301 [1,1,0,0,0,0|2,0,0]=4 659 B7R0.8 CSCC[N+](C)(C)C 62a_200000210301_100000085578 [1,1,0,0,0,0|2,0,0]=4 660 B7R0.8 CSCC[Si](C)(C)C 62a_200000210301_200000733723 [1,1,0,0,0,0|1,1,0]=4 661 B7R0.8 CSCC[Si](C)(C)C 62a_200000733723_200000210301 [1,1,0,0,0,0|1,1,0]=4 662 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [1,1,0,0,0,0|2,0,0]=4 663 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [1,1,0,0,0,0|2,0,0]=4 664 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [1,1,0,0,0,0|2,0,0]=4 665 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [1,1,0,0,0,0|2,0,0]=4 666 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [1,1,0,0,0,0|2,0,0]=4 667 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_100000085578_200025704644 [1,1,0,0,0,0|2,0,0]=4 668 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_200025704644_100000085578 [1,1,0,0,0,0|2,0,0]=4 669 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [1,1,0,0,0,0|1,1,0]=4 670 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200000733723_200025704644 [1,1,0,0,0,0|1,1,0]=4 671 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200025704644_200000733723 [1,1,0,0,0,0|1,1,0]=4 672 B7R0.11 C#CC(C)(C)NCC 34a_100000054563_100000210202 [1,1,0,0,0,0|2,0,0]=4 673 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [1,1,0,0,0,0|2,0,0]=4 674 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [1,1,0,0,0,0|2,0,0]=4 675 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [1,1,0,0,0,0|2,0,0]=4 676 B7R0.11 C#CC(C)(C)SCC 62a_100000038118_100000210202 [1,1,0,0,0,0|2,0,0]=4 677 B7R0.11 C#CC(C)(C)SCC 62a_100000210202_100000038118 [1,1,0,0,0,0|2,0,0]=4 678 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [1,1,0,0,0,0|2,0,0]=4 679 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [1,1,0,0,0,0|2,0,0]=4 680 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [1,1,0,0,0,0|1,1,0]=4 681 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [1,1,0,0,0,0|2,0,0]=4 682 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [1,1,0,0,0,0|1,1,0]=4 683 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [1,1,0,0,0,0|1,1,0]=4 684 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [1,1,0,0,0,0|1,1,0]=4 685 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [1,1,0,0,0,0|2,0,0]=4 687 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [1,1,0,0,0,0|0,1,0]=3 688 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [1,1,0,0,0,0|0,1,0]=3 689 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [1,1,0,0,0,0|2,0,0]=4 690 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [1,1,0,0,0,0|1,1,0]=4 691 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [1,1,0,0,0,0|2,0,0]=4 692 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [1,1,0,0,0,0|2,0,0]=4 693 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [1,1,0,0,0,0|2,0,0]=4 694 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [1,1,0,0,0,0|2,0,0]=4 695 B7R0.11 CCSC(C)(C)C#N 62a_100000210202_100011162410 [1,1,0,0,0,0|2,0,0]=4 696 B7R0.11 CCSC(C)(C)C#N 62a_100011162410_100000210202 [1,1,0,0,0,0|2,0,0]=4 697 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [1,1,0,0,0,0|2,0,0]=4 698 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [1,1,0,0,0,0|2,0,0]=4 699 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [1,1,0,0,0,0|2,0,0]=4 701 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [1,1,0,0,0,0|1,1,0]=4 703 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [1,1,0,0,0,0|1,1,0]=4 704 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [1,1,0,0,0,0|1,1,0]=4 705 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [1,1,0,0,0,0|1,1,0]=4 706 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [1,1,0,0,0,0|1,1,0]=4 707 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [1,1,0,0,0,0|1,0,0]=3 708 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [1,1,0,0,0,0|1,1,0]=4 709 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [1,1,0,0,0,0|1,1,0]=4 710 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [1,1,0,0,0,0|1,1,0]=4 711 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [1,1,0,0,0,0|1,1,0]=4 712 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [1,1,0,0,0,0|1,1,0]=4 713 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [1,1,0,0,0,0|1,1,0]=4 714 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [1,1,0,0,0,0|2,0,0]=4 715 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [1,1,0,0,0,0|1,1,0]=4 716 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [1,1,0,0,0,0|2,0,0]=4 717 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [1,1,0,0,0,0|1,1,0]=4 718 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [1,1,0,0,0,0|1,1,0]=4 719 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [1,1,0,0,0,0|1,1,0]=4 720 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [1,1,0,0,0,0|2,0,0]=4 721 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [1,1,0,0,0,0|2,0,0]=4 722 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [1,1,0,0,0,0|1,0,1]=4 723 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [1,1,0,0,0,0|1,0,1]=4 724 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [1,1,0,0,0,0|0,1,1]=4 725 B7R0.14 CCN(C)C(C)(C)C 2230a_100011200764_200000210301 [1,1,0,0,0,0|2,0,0]=4 726 B7R0.14 CCN(C)C(C)(C)C 269982a_100000225621_100000210625 [1,1,0,0,0,0|2,0,0]=4 727 B7R0.14 CCN(C)C(C)(C)C 269982a_100011200764_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B7R0.14 CCN(C)C(C)(C)C 269982a_100011215553_100000204670 [1,1,0,0,0,0|2,0,0]=4 729 B7R0.14 CCN([13CH3])C(C)(C)C 2230a_100011200764_200025704644 [1,1,0,0,0,0|2,0,0]=4 730 B7R0.14 CCN([13CH3])C(C)(C)C 269982a_100011200764_200025704644 [1,1,0,0,0,0|2,0,0]=4 731 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [1,1,0,0,0,0|1,1,0]=4 732 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [1,1,0,0,0,0|1,1,0]=4 733 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [1,1,0,0,0,0|2,0,0]=4 734 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [1,1,0,0,0,0|2,0,0]=4 735 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [1,1,0,0,0,0|1,1,0]=4 736 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,1,0,0,1,0|0,0,2]=4 737 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,1,0,0,1,0|0,0,2]=4 738 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,1,0,0,1,0|2,0,0]=4 739 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,1,0,0,1,0|1,1,0]=4 740 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_200025704644_217856628674 [0,1,0,0,1,0|2,0,0]=4 741 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_217856628674_200025704644 [0,1,0,0,1,0|2,0,0]=4 742 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,1,0,0,1,0|2,0,0]=4 743 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,1,0,0,1,0|1,1,0]=4 744 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,1,0,0,1,0|0,0,2]=4 745 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,1,0,0,1,0|0,0,2]=4 746 B7R0.13 CSC(C)(C)N(C)C 62a_200000210301_217856628674 [0,1,0,0,1,0|2,0,0]=4 747 B7R0.13 CSC(C)(C)N(C)C 62a_217856628674_200000210301 [0,1,0,0,1,0|2,0,0]=4 748 B9R0.10 CC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000210624 [0,1,0,0,0,1|2,0,0]=4 749 B9R0.10 CC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000210624 [0,1,0,0,0,1|2,0,0]=4 750 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [0,1,0,0,0,1|1,1,0]=4 751 B9R0.10 CC(C)CN(C)C(C)(C)C 2230a_100015183297_200000210301 [0,1,0,0,0,1|2,0,0]=4 752 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100000747067_100000210625 [0,1,0,0,0,1|2,0,0]=4 753 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100011215553_100000210624 [0,1,0,0,0,1|2,0,0]=4 754 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100015183297_200000210301 [0,1,0,0,0,1|2,0,0]=4 755 B9R0.10 CC(C)CN(C)C(C)(C)C 270004a_100011215553_100000210432 [0,1,0,0,0,1|2,0,0]=4 756 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 2230a_100015183297_200025704644 [0,1,0,0,0,1|2,0,0]=4 757 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 269982a_100015183297_200025704644 [0,1,0,0,0,1|2,0,0]=4 758 B9R0.10 CC(C)N[C@@H](C)C(C)(C)O 2230a_100025708725_100000210206 [0,1,0,0,0,1|1,1,0]=4 759 B9R0.10 CC(C)N[C@H](C)C(C)(C)C 2230a_100025703359_100000210206 [0,1,0,0,0,1|2,0,0]=4 760 B9R0.10 CC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218427 [0,1,0,0,0,1|1,0,0]=3 761 B9R0.10 CC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218427 [0,1,0,0,0,1|1,0,0]=3 762 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [0,1,0,0,0,1|0,1,0]=3 763 B9R0.10 CC(O)CN(C)C(C)(C)C 269982a_100000227577_100000210625 [0,1,0,0,0,1|1,0,0]=3 764 B9R0.10 CC(O)CN(C)C(C)(C)C 269982a_100011215553_100011218427 [0,1,0,0,0,1|1,0,0]=3 765 B9R0.10 C[C@@H](O)CN(C)C(C)(C)C 269982a_100011215553_100009817552 [0,1,0,0,0,1|1,0,0]=3 766 B9R0.21 C#CC(C)NCC(C)(C)C 270004a_100000707721_100011204126 [0,1,0,0,0,1|2,0,0]=4 767 B9R0.21 C#CC(C)NCC(C)(C)C 34a_100000707721_100011219605 [0,1,0,0,0,1|2,0,0]=4 768 B9R0.21 C#CC(C)NCC(C)(C)F 34a_100000707721_100011997219 [0,1,0,0,0,1|2,0,0]=4 769 B9R0.21 C#CC(C)NCC(C)(C)O 34a_100000707721_100000764493 [0,1,0,0,0,1|1,1,0]=4 770 B9R0.21 C#CC(C)OCC(C)(C)F 34a_100000716592_200000035995 [0,1,0,0,0,1|2,0,0]=4 771 B9R0.21 C#CC(C)SCC(C)(C)C 62a_200000035995_100011219605 [0,1,0,0,0,1|2,0,0]=4 772 B9R0.21 C#CC(C)SCC(C)(C)F 62a_200000035995_100011997219 [0,1,0,0,0,1|2,0,0]=4 773 B9R0.21 C#CC(C)SCC(C)(C)O 62a_200000035995_100000764493 [0,1,0,0,0,1|1,1,0]=4 774 B9R0.21 C#C[C@@H](C)OCC(C)(C)C 34a_100009815206_100011219605 [0,1,0,0,0,1|2,0,0]=4 775 B9R0.21 C#C[C@@H](C)OCC(C)(C)F 34a_100009815206_100011997219 [0,1,0,0,0,1|2,0,0]=4 776 B9R0.21 C#C[C@@H](C)OCC(C)(C)O 34a_100009815206_100000764493 [0,1,0,0,0,1|1,1,0]=4 777 B9R0.21 C#C[C@@H](C)OCC(C)(C)O 7a_100009815206_100000764493 [0,1,0,0,0,1|1,1,0]=4 778 B9R0.21 C=CC(C)COC(C)(C)C 34a_100011215527_100000210625 [0,1,0,0,0,1|2,0,0]=4 779 B9R0.21 C=CC(C)OCC(C)(C)C 34a_100000695699_100011219605 [0,1,0,0,0,1|2,0,0]=4 780 B9R0.21 C=CC(C)OCC(C)(C)F 34a_100000695699_100011997219 [0,1,0,0,0,1|2,0,0]=4 781 B9R0.21 C=CC(C)OCC(C)(C)O 34a_100000695699_100000764493 [0,1,0,0,0,1|1,1,0]=4 782 B9R0.21 C=CC(C)SCC(C)(C)C 62a_100011215867_100011219605 [0,1,0,0,0,1|2,0,0]=4 783 B9R0.21 C=CC(C)SCC(C)(C)F 62a_100011215867_100011997219 [0,1,0,0,0,1|2,0,0]=4 784 B9R0.21 C=CC(C)SCC(C)(C)O 62a_100011215867_100000764493 [0,1,0,0,0,1|1,1,0]=4 785 B9R0.21 C=CC(O)CNC(C)(C)C 2230a_100000715429_100000730141 [0,1,0,0,0,1|1,0,1]=4 786 B9R0.21 C=CC(O)COC(C)(C)C 34a_100015890283_100000730141 [0,1,0,0,0,1|1,0,1]=4 787 B9R0.21 C=CC(O)COC(C)(C)C 7a_100015890283_100000730141 [0,1,0,0,0,1|1,0,1]=4 788 B9R0.21 C=CC(O)CSC(C)(C)C 62a_100000211941_100000730141 [0,1,0,0,0,1|1,0,1]=4 789 B9R0.21 C=CC(O)CSC(C)(C)C 62a_100000730141_100000211941 [0,1,0,0,0,1|1,0,1]=4 790 B9R0.21 CC(C#N)NCC(C)(C)C 2230a_100000743828_100000184139 [0,1,0,0,0,1|2,0,0]=4 791 B9R0.21 CC(C#N)NCC(C)(C)F 2230a_100020643315_100000184139 [0,1,0,0,0,1|2,0,0]=4 792 B9R0.21 CC(C#N)NCC(C)(C)O 2230a_100000751335_100000184139 [0,1,0,0,0,1|1,1,0]=4 793 B9R0.21 CC(C#N)OCC(C)(C)C 34a_100011218135_100011219605 [0,1,0,0,0,1|2,0,0]=4 794 B9R0.21 CC(C#N)OCC(C)(C)F 34a_100011218135_100011997219 [0,1,0,0,0,1|2,0,0]=4 795 B9R0.21 CC(C#N)OCC(C)(C)O 34a_100011218135_100000764493 [0,1,0,0,0,1|1,1,0]=4 796 B9R0.21 CC(C#N)SCC(C)(C)C 62a_100000703298_100011219605 [0,1,0,0,0,1|2,0,0]=4 797 B9R0.21 CC(C#N)SCC(C)(C)C 62a_100011219605_100000703298 [0,1,0,0,0,1|2,0,0]=4 798 B9R0.21 CC(C#N)SCC(C)(C)F 62a_100000703298_100011997219 [0,1,0,0,0,1|2,0,0]=4 799 B9R0.21 CC(C#N)SCC(C)(C)F 62a_100011997219_100000703298 [0,1,0,0,0,1|2,0,0]=4 800 B9R0.21 CC(C#N)SCC(C)(C)O 62a_100000703298_100000764493 [0,1,0,0,0,1|1,1,0]=4 801 B9R0.21 CC(C#N)SCC(C)(C)O 62a_100000764493_100000703298 [0,1,0,0,0,1|1,1,0]=4 802 B9R0.21 CC(C)(C)NCC(O)CO 2230a_100000715429_100011219619 [0,1,0,0,0,1|1,0,0]=3 803 B9R0.21 CC(C)(C)NC[C@@H](F)CO 34a_100015665980_100000210625 [0,1,0,0,0,1|2,0,0]=4 804 B9R0.21 CC(C)(C)NC[C@@H](O)CF 2230a_100000715429_100015614560 [0,1,0,0,0,1|1,0,0]=3 805 B9R0.21 CC(C)(C)NC[C@@H](O)CO 2230a_100000715429_100009815848 [0,1,0,0,0,1|1,0,0]=3 806 B9R0.21 CC(C)(C)OCC(Cl)CCl 34a_100000033668_100000210625 [0,1,0,0,0,1|2,0,0]=4 807 B9R0.21 CC(C)(C)OCC(O)CO 34a_100015890283_100011219619 [0,1,0,0,0,1|1,0,0]=3 808 B9R0.21 CC(C)(C)OCC(O)CO 7a_100015890283_100011219619 [0,1,0,0,0,1|1,0,0]=3 809 B9R0.21 CC(C)(C)OC[C@@H](O)CF 34a_100015890283_100015614560 [0,1,0,0,0,1|1,0,0]=3 810 B9R0.21 CC(C)(C)OC[C@@H](O)CF 7a_100015890283_100015614560 [0,1,0,0,0,1|1,0,0]=3 811 B9R0.21 CC(C)(C)OC[C@@H](O)CO 34a_100015890283_100009815848 [0,1,0,0,0,1|1,0,0]=3 812 B9R0.21 CC(C)(C)OC[C@@H](O)CO 7a_100015890283_100009815848 [0,1,0,0,0,1|1,0,0]=3 813 B9R0.21 CC(C)(C)OC[C@H](F)CN 34a_100015665980_100000210625 [0,1,0,0,0,1|2,0,0]=4 814 B9R0.21 CC(C)(C)SCC(O)CO 62a_100000211941_100011219619 [0,1,0,0,0,1|1,0,0]=3 815 B9R0.21 CC(C)(C)SCC(O)CO 62a_100011219619_100000211941 [0,1,0,0,0,1|1,0,0]=3 816 B9R0.21 CC(C)(C)SC[C@@H](O)CF 62a_100000211941_100015614560 [0,1,0,0,0,1|1,0,0]=3 817 B9R0.21 CC(C)(C)SC[C@@H](O)CF 62a_100015614560_100000211941 [0,1,0,0,0,1|1,0,0]=3 818 B9R0.21 CC(C)(C)SC[C@@H](O)CO 62a_100000211941_100009815848 [0,1,0,0,0,1|1,0,0]=3 819 B9R0.21 CC(C)(C)SC[C@@H](O)CO 62a_100009815848_100000211941 [0,1,0,0,0,1|1,0,0]=3 820 B9R0.21 CC(CF)OCC(C)(C)C 34a_100016041109_100011219605 [0,1,0,0,0,1|2,0,0]=4 821 B9R0.21 CC(CF)OCC(C)(C)F 34a_100016041109_100011997219 [0,1,0,0,0,1|2,0,0]=4 822 B9R0.21 CC(CF)OCC(C)(C)O 34a_100016041109_100000764493 [0,1,0,0,0,1|1,1,0]=4 823 B9R0.21 CC(CF)OCC(C)(C)O 7a_100016041109_100000764493 [0,1,0,0,0,1|1,1,0]=4 824 B9R0.21 CC(CN)COC(C)(C)C 34a_100000744482_100000210625 [0,1,0,0,0,1|2,0,0]=4 825 B9R0.21 CC(CN)OCC(C)(C)C 34a_100000210904_100011219605 [0,1,0,0,0,1|2,0,0]=4 826 B9R0.21 CC(CN)OCC(C)(C)F 34a_100000210904_100011997219 [0,1,0,0,0,1|2,0,0]=4 827 B9R0.21 CC(CN)OCC(C)(C)O 34a_100000210904_100000764493 [0,1,0,0,0,1|1,1,0]=4 828 B9R0.21 CC(CO)CNC(C)(C)C 34a_100000744482_100000210625 [0,1,0,0,0,1|1,0,0]=3 829 B9R0.21 CC(CO)NCC(C)(C)C 2230a_100000743828_100012180447 [0,1,0,0,0,1|1,0,0]=3 830 B9R0.21 CC(CO)NCC(C)(C)F 2230a_100020643315_100012180447 [0,1,0,0,0,1|1,0,0]=3 831 B9R0.21 CC(CO)NCC(C)(C)O 2230a_100000751335_100012180447 [0,1,0,0,0,1|0,1,0]=3 832 B9R0.21 CC(CO)OCC(C)(C)F 34a_100000716592_100012180447 [0,1,0,0,0,1|1,0,0]=3 833 B9R0.21 CC(CO)OCC(C)(F)F 34a_100000068830_100012180447 [0,1,0,0,0,1|2,0,0]=4 834 B9R0.21 CC(CO)SCC(C)(C)C 62a_100012180447_100011219605 [0,1,0,0,0,1|1,0,0]=3 835 B9R0.21 CC(CO)SCC(C)(C)F 62a_100012180447_100011997219 [0,1,0,0,0,1|1,0,0]=3 836 B9R0.21 CC(CO)SCC(C)(C)O 62a_100012180447_100000764493 [0,1,0,0,0,1|0,1,0]=3 837 B9R0.21 CC(CO)SC[N+](C)(C)C 62a_100012180447_200000036245 [0,1,0,0,0,1|2,0,0]=4 838 B9R0.21 CC(CO)SC[Si](C)(C)C 62a_100012180447_100000037933 [0,1,0,0,0,1|1,1,0]=4 839 B9R0.21 CC(COC(C)(C)C)O[13CH3] 7a_100011215624_200025704644 [0,1,0,0,0,1|1,0,0]=3 840 B9R0.21 CCC(C)CNC(C)(C)C 2230a_100000715429_100000748023 [0,1,0,0,0,1|2,0,0]=4 841 B9R0.21 CCC(C)COC(C)(C)C 34a_100015890283_100000748023 [0,1,0,0,0,1|2,0,0]=4 842 B9R0.21 CCC(C)COC(C)(C)C 7a_100015890283_100000748023 [0,1,0,0,0,1|2,0,0]=4 843 B9R0.21 CCC(C)CSC(C)(C)C 62a_100000211941_100000748023 [0,1,0,0,0,1|2,0,0]=4 844 B9R0.21 CCC(C)CSC(C)(C)C 62a_100000748023_100000211941 [0,1,0,0,0,1|2,0,0]=4 845 B9R0.21 CCC(C)NCC(C)(C)C 2230a_100000743828_100000758301 [0,1,0,0,0,1|2,0,0]=4 846 B9R0.21 CCC(C)NCC(C)(C)C 270004a_100000209981_100011204126 [0,1,0,0,0,1|2,0,0]=4 847 B9R0.21 CCC(C)NCC(C)(C)F 2230a_100020643315_100000758301 [0,1,0,0,0,1|2,0,0]=4 848 B9R0.21 CCC(C)NCC(C)(C)O 2230a_100000751335_100000758301 [0,1,0,0,0,1|1,1,0]=4 849 B9R0.21 CCC(C)OCC(C)(C)F 34a_100000716592_100011215416 [0,1,0,0,0,1|2,0,0]=4 850 B9R0.21 CCC(C)OCC(C)(C)O 7a_100000210228_100000764493 [0,1,0,0,0,1|1,1,0]=4 851 B9R0.21 CCC(C)SCC(C)(C)C 62a_100000758301_100011219605 [0,1,0,0,0,1|2,0,0]=4 852 B9R0.21 CCC(C)SCC(C)(C)C 62a_100011219605_100000758301 [0,1,0,0,0,1|2,0,0]=4 853 B9R0.21 CCC(C)SCC(C)(C)F 62a_100000758301_100011997219 [0,1,0,0,0,1|2,0,0]=4 854 B9R0.21 CCC(C)SCC(C)(C)F 62a_100011997219_100000758301 [0,1,0,0,0,1|2,0,0]=4 855 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000758301_100000764493 [0,1,0,0,0,1|1,1,0]=4 856 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000764493_100000758301 [0,1,0,0,0,1|1,1,0]=4 857 B9R0.21 CCC(O)CNC(C)(C)C 2230a_100000715429_100011218378 [0,1,0,0,0,1|1,0,0]=3 858 B9R0.21 CCC(O)COC(C)(C)C 34a_100015890283_100011218378 [0,1,0,0,0,1|1,0,0]=3 859 B9R0.21 CCC(O)COC(C)(C)C 7a_100015890283_100011218378 [0,1,0,0,0,1|1,0,0]=3 860 B9R0.21 CCC(O)CSC(C)(C)C 62a_100000211941_100011218378 [0,1,0,0,0,1|1,0,0]=3 861 B9R0.21 CCC(O)CSC(C)(C)C 62a_100011218378_100000211941 [0,1,0,0,0,1|1,0,0]=3 862 B9R0.21 CC[C@H](C)CNC(C)(C)C 2230a_100000715429_100009816398 [0,1,0,0,0,1|2,0,0]=4 863 B9R0.21 CC[C@H](C)COC(C)(C)C 34a_100015890283_100009816398 [0,1,0,0,0,1|2,0,0]=4 864 B9R0.21 CC[C@H](C)COC(C)(C)C 7a_100015890283_100009816398 [0,1,0,0,0,1|2,0,0]=4 865 B9R0.21 CC[C@H](C)CSC(C)(C)C 62a_100000211941_100009816398 [0,1,0,0,0,1|2,0,0]=4 866 B9R0.21 CC[C@H](C)CSC(C)(C)C 62a_100009816398_100000211941 [0,1,0,0,0,1|2,0,0]=4 867 B9R0.21 CNC(C)CSC(C)(C)C 270004a_106832991635_100000175412 [0,1,0,0,0,1|2,0,0]=4 868 B9R0.21 COC(C)COC(C)(C)C 34a_100000690652_100000210625 [0,1,0,0,0,1|1,0,0]=3 869 B9R0.21 COC(C)COC(C)(C)C 7a_100011215624_200000210301 [0,1,0,0,0,1|1,0,0]=3 870 B9R0.21 COC(C)SCC(C)(C)C 62a_100009879195_100011219605 [0,1,0,0,0,1|1,0,0]=3 871 B9R0.21 COC(C)SCC(C)(C)C 62a_100011219605_100009879195 [0,1,0,0,0,1|1,0,0]=3 872 B9R0.21 COC(C)SCC(C)(C)F 62a_100009879195_100011997219 [0,1,0,0,0,1|1,0,0]=3 873 B9R0.21 COC(C)SCC(C)(C)F 62a_100011997219_100009879195 [0,1,0,0,0,1|1,0,0]=3 874 B9R0.21 COC(C)SCC(C)(C)O 62a_100000764493_100009879195 [0,1,0,0,0,1|0,1,0]=3 875 B9R0.21 COC(C)SCC(C)(C)O 62a_100009879195_100000764493 [0,1,0,0,0,1|0,1,0]=3 876 B9R0.21 COC(C)SC[N+](C)(C)C 62a_100009879195_200000036245 [0,1,0,0,0,1|2,0,0]=4 877 B9R0.21 COC(C)SC[N+](C)(C)C 62a_200000036245_100009879195 [0,1,0,0,0,1|2,0,0]=4 878 B9R0.21 COC(C)SC[Si](C)(C)C 62a_100000037933_100009879195 [0,1,0,0,0,1|1,1,0]=4 879 B9R0.21 COC(C)SC[Si](C)(C)C 62a_100009879195_100000037933 [0,1,0,0,0,1|1,1,0]=4 880 B9R0.21 C[C@@H](CO)CNC(C)(C)C 2230a_100000715429_100000059175 [0,1,0,0,0,1|1,0,0]=3 881 B9R0.21 C[C@@H](CO)COC(C)(C)C 34a_100015890283_100000059175 [0,1,0,0,0,1|1,0,0]=3 882 B9R0.21 C[C@@H](CO)COC(C)(C)C 7a_100015890283_100000059175 [0,1,0,0,0,1|1,0,0]=3 883 B9R0.21 C[C@@H](CO)CSC(C)(C)C 62a_100000059175_100000211941 [0,1,0,0,0,1|1,0,0]=3 884 B9R0.21 C[C@@H](CO)CSC(C)(C)C 62a_100000211941_100000059175 [0,1,0,0,0,1|1,0,0]=3 885 B9R0.21 C[C@H](CF)NCC(C)(C)C 270004a_100102880703_100011204126 [0,1,0,0,0,1|2,0,0]=4 886 B9R0.21 C[C@H](CO)NCC(C)(C)C 270004a_100000737577_100011204126 [0,1,0,0,0,1|1,0,0]=3 887 B9R0.21 C[C@H](CO)NC[Si](C)(C)C 2230a_100000737577_100000037933 [0,1,0,0,0,1|1,1,0]=4 888 B9R0.21 C[C@H](CO)SCC(C)(C)C 62a_100011219605_100016084084 [0,1,0,0,0,1|1,0,0]=3 889 B9R0.21 C[C@H](CO)SCC(C)(C)C 62a_100016084084_100011219605 [0,1,0,0,0,1|1,0,0]=3 890 B9R0.21 C[C@H](CO)SCC(C)(C)F 62a_100011997219_100016084084 [0,1,0,0,0,1|1,0,0]=3 891 B9R0.21 C[C@H](CO)SCC(C)(C)F 62a_100016084084_100011997219 [0,1,0,0,0,1|1,0,0]=3 892 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100000764493_100016084084 [0,1,0,0,0,1|0,1,0]=3 893 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100016084084_100000764493 [0,1,0,0,0,1|0,1,0]=3 894 B9R0.21 C[C@H](CO)SC[N+](C)(C)C 62a_100016084084_200000036245 [0,1,0,0,0,1|2,0,0]=4 895 B9R0.21 C[C@H](CO)SC[N+](C)(C)C 62a_200000036245_100016084084 [0,1,0,0,0,1|2,0,0]=4 896 B9R0.21 C[C@H](CO)SC[Si](C)(C)C 62a_100000037933_100016084084 [0,1,0,0,0,1|1,1,0]=4 897 B9R0.21 C[C@H](CO)SC[Si](C)(C)C 62a_100016084084_100000037933 [0,1,0,0,0,1|1,1,0]=4 898 B9R0.57 CC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000210206 [0,1,0,0,0,1|2,0,0]=4 899 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,1,0,0,0,1|1,1,0]=4 900 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_100000742839_100000210206 [0,1,0,0,0,1|2,0,0]=4 901 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_107254826865_200000210301 [0,1,0,0,0,1|2,0,0]=4 902 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_100000742839_100000210206 [0,1,0,0,0,1|2,0,0]=4 903 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_107254826865_200000210301 [0,1,0,0,0,1|2,0,0]=4 904 B9R0.57 CC(C)N(C)CC(C)(C)C 270004a_200000211004_100011204126 [0,1,0,0,0,1|2,0,0]=4 905 B9R0.57 CC(C)N(C)CC(C)(C)O 2230a_100000755907_100000210206 [0,1,0,0,0,1|1,1,0]=4 906 B9R0.57 CC(C)N(C)CC(C)(C)O 269982a_100000755907_100000210206 [0,1,0,0,0,1|1,1,0]=4 907 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 2230a_107254826865_200025704644 [0,1,0,0,0,1|2,0,0]=4 908 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 269982a_107254826865_200025704644 [0,1,0,0,0,1|2,0,0]=4 909 B9R0.57 C[C@@H](O)C(=O)C[Si](C)(C)C 1458a_100000717761_100000233785 [0,1,0,0,0,1|1,1,0]=4 910 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C 240690a_100000715429_100000717761 [0,1,0,0,0,1|1,0,1]=4 911 B9R0.57 C[C@H](O)C(=O)C[Si](C)(C)C 1458a_217856618621_100000233785 [0,1,0,0,0,1|1,1,0]=4 912 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 1626a_100000715429_217856618621 [0,1,0,0,0,1|1,0,1]=4 913 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 240690a_100000715429_217856618621 [0,1,0,0,0,1|1,0,1]=4 914 B9R0.64 C#CC(C)(C)NCC(C)C 270004a_100000054563_100000210432 [0,1,0,0,0,1|2,0,0]=4 915 B9R0.64 C#CC(C)(C)NCC(C)C 34a_100000054563_100000210624 [0,1,0,0,0,1|2,0,0]=4 916 B9R0.64 C#CC(C)(C)NCC(C)C 34a_100000210953_100000038118 [0,1,0,0,0,1|2,0,0]=4 917 B9R0.64 C#CC(C)(C)NCC(C)O 34a_100000054563_100011218427 [0,1,0,0,0,1|1,0,0]=3 918 B9R0.64 C#CC(C)(C)NCC(C)O 34a_100000210904_100000038118 [0,1,0,0,0,1|1,0,0]=3 919 B9R0.64 C#CC(C)(C)NC[C@@H](C)O 34a_100000054563_100009817552 [0,1,0,0,0,1|1,0,0]=3 920 B9R0.64 C#CC(C)(C)OCC(C)Br 34a_100012180447_100000038118 [0,1,0,0,0,1|2,0,0]=4 921 B9R0.64 C#CC(C)(C)OCC(C)C 34a_100000189450_100000210624 [0,1,0,0,0,1|2,0,0]=4 922 B9R0.64 C#CC(C)(C)OCC(C)C 34a_100000210257_100000038118 [0,1,0,0,0,1|2,0,0]=4 923 B9R0.64 C#CC(C)(C)OCC(C)C 7a_100000189450_100000210760 [0,1,0,0,0,1|2,0,0]=4 924 B9R0.64 C#CC(C)(C)OCC(C)F 34a_100015925927_100000038118 [0,1,0,0,0,1|2,0,0]=4 925 B9R0.64 C#CC(C)(C)OCC(C)O 34a_100000189450_100011218427 [0,1,0,0,0,1|1,0,0]=3 926 B9R0.64 C#CC(C)(C)OCC(C)O 7a_100000189450_100011218427 [0,1,0,0,0,1|1,0,0]=3 927 B9R0.64 C#CC(C)(C)OC[C@@H](C)Cl 34a_100016084084_100000038118 [0,1,0,0,0,1|2,0,0]=4 928 B9R0.64 C#CC(C)(C)OC[C@@H](C)N 34a_100000737577_100000038118 [0,1,0,0,0,1|2,0,0]=4 929 B9R0.64 C#CC(C)(C)OC[C@@H](C)O 34a_100000189450_100009817552 [0,1,0,0,0,1|1,0,0]=3 930 B9R0.64 C#CC(C)(C)OC[C@@H](C)O 7a_100000189450_100009817552 [0,1,0,0,0,1|1,0,0]=3 931 B9R0.64 C#CC(C)(C)SCC(C)C 62a_100000038118_100000210760 [0,1,0,0,0,1|2,0,0]=4 932 B9R0.64 C#CC(C)(C)SCC(C)C 62a_100000210624_100000038118 [0,1,0,0,0,1|2,0,0]=4 933 B9R0.64 C#CC(C)(C)SCC(C)O 62a_100000038118_100011218427 [0,1,0,0,0,1|1,0,0]=3 934 B9R0.64 C#CC(C)(C)SCC(C)O 62a_100011218427_100000038118 [0,1,0,0,0,1|1,0,0]=3 935 B9R0.64 C#CC(C)(C)SC[C@@H](C)O 62a_100000038118_100009817552 [0,1,0,0,0,1|1,0,0]=3 936 B9R0.64 C#CC(C)(C)SC[C@@H](C)O 62a_100009817552_100000038118 [0,1,0,0,0,1|1,0,0]=3 937 B9R0.64 C=CC(C)(C)OCC(C)C 34a_100011215311_100000210624 [0,1,0,0,0,1|2,0,0]=4 938 B9R0.64 C=CC(C)(C)OCC(C)C 7a_100011215311_100000210760 [0,1,0,0,0,1|2,0,0]=4 939 B9R0.64 C=CC(C)(C)OCC(C)O 34a_100011215311_100011218427 [0,1,0,0,0,1|1,0,0]=3 940 B9R0.64 C=CC(C)(C)OCC(C)O 7a_100011215311_100011218427 [0,1,0,0,0,1|1,0,0]=3 941 B9R0.64 C=CC(C)(C)OC[C@@H](C)O 34a_100011215311_100009817552 [0,1,0,0,0,1|1,0,0]=3 942 B9R0.64 C=CC(C)(C)OC[C@@H](C)O 7a_100011215311_100009817552 [0,1,0,0,0,1|1,0,0]=3 943 B9R0.64 CC(Br)COC(C)(C)C#N 34a_100012180447_100011162410 [0,1,0,0,0,1|2,0,0]=4 944 B9R0.64 CC(C)CCC(C)(C)O[13CH3] 7a_200011218267_200025704644 [0,1,0,0,0,1|1,1,0]=4 945 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200000037585_200025704644 [0,1,0,0,0,1|1,0,0]=3 946 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200025704644_200000037585 [0,1,0,0,0,1|1,0,0]=3 947 B9R0.64 CC(C)CNC(C)(C)C#N 34a_100000210953_100011162410 [0,1,0,0,0,1|2,0,0]=4 948 B9R0.64 CC(C)CNC(C)(C)CO 2230a_100000210608_100000210760 [0,1,0,0,0,1|1,1,0]=4 949 B9R0.64 CC(C)CNC(C)(C)CO 270004a_100000210608_100000210432 [0,1,0,0,0,1|1,1,0]=4 950 B9R0.64 CC(C)COC(C)(C)C#N 34a_100000210257_100011162410 [0,1,0,0,0,1|2,0,0]=4 951 B9R0.64 CC(C)COC(C)(C)C#N 34a_200015195151_100000210624 [0,1,0,0,0,1|2,0,0]=4 952 B9R0.64 CC(C)COC(C)(C)CCl 7a_100000764493_100000210760 [0,1,0,0,0,1|2,0,0]=4 953 B9R0.64 CC(C)CSC(C)(C)C#N 62a_100000210624_100011162410 [0,1,0,0,0,1|2,0,0]=4 954 B9R0.64 CC(C)CSC(C)(C)C#N 62a_100011162410_100000210760 [0,1,0,0,0,1|2,0,0]=4 955 B9R0.64 CC(C)NCC(C)(C)CO 2230a_100020635058_100000210206 [0,1,0,0,0,1|1,1,0]=4 956 B9R0.64 CC(C)NCC(C)(C)CO 34a_100138425928_100009813988 [0,1,0,0,0,1|1,1,0]=4 957 B9R0.64 CC(C)OCC(C)(C)CCl 7a_100011217199_100000210206 [0,1,0,0,0,1|2,0,0]=4 958 B9R0.64 CC(C)OCC(C)(C)CO 34a_100000212225_100009813988 [0,1,0,0,0,1|1,1,0]=4 959 B9R0.64 CC(C)SCC(C)(C)CO 62a_100000210206_100009813988 [0,1,0,0,0,1|1,1,0]=4 960 B9R0.64 CC(C)SCC(C)(C)CO 62a_100009813988_100000210206 [0,1,0,0,0,1|1,1,0]=4 961 B9R0.64 CC(F)COC(C)(C)C#N 34a_100015925927_100011162410 [0,1,0,0,0,1|2,0,0]=4 962 B9R0.64 CC(O)CNC(C)(C)C#N 34a_100000210904_100011162410 [0,1,0,0,0,1|1,0,0]=3 963 B9R0.64 CC(O)CNC(C)(C)CO 2230a_100000210608_100011218427 [0,1,0,0,0,1|0,1,0]=3 964 B9R0.64 CC(O)COC(C)(C)C#N 34a_200015195151_100011218427 [0,1,0,0,0,1|1,0,0]=3 965 B9R0.64 CC(O)COC(C)(C)CCl 7a_100000764493_100011218427 [0,1,0,0,0,1|1,0,0]=3 966 B9R0.64 CC(O)CSC(C)(C)C#N 62a_100011162410_100011218427 [0,1,0,0,0,1|1,0,0]=3 967 B9R0.64 CC(O)CSC(C)(C)C#N 62a_100011218427_100011162410 [0,1,0,0,0,1|1,0,0]=3 968 B9R0.64 CC(O)CSC(F)(F)CO 62a_100011217949_100011218427 [0,1,0,0,0,1|2,0,0]=4 969 B9R0.64 CC(O)CSC(F)(F)CO 62a_100011218427_100011217949 [0,1,0,0,0,1|2,0,0]=4 970 B9R0.64 CCC(C)(C)COC(C)C 7a_100000765029_100000210206 [0,1,0,0,0,1|2,0,0]=4 971 B9R0.64 CCC(C)(C)NCC(C)C 2230a_100000211385_100000210760 [0,1,0,0,0,1|2,0,0]=4 972 B9R0.64 CCC(C)(C)NCC(C)C 270004a_100000211385_100000210432 [0,1,0,0,0,1|2,0,0]=4 973 B9R0.64 CCC(C)(C)NCC(C)O 2230a_100000211385_100011218427 [0,1,0,0,0,1|1,0,0]=3 974 B9R0.64 CCC(C)(C)NC[C@@H](C)O 2230a_100000211385_100009817552 [0,1,0,0,0,1|1,0,0]=3 975 B9R0.64 CCC(C)(C)OCC(C)C 7a_100000210230_100000210760 [0,1,0,0,0,1|2,0,0]=4 976 B9R0.64 CCC(C)(C)OCC(C)O 7a_100000210230_100011218427 [0,1,0,0,0,1|1,0,0]=3 977 B9R0.64 CCC(C)(C)OC[C@@H](C)O 7a_100000210230_100009817552 [0,1,0,0,0,1|1,0,0]=3 978 B9R0.64 CCC(C)(C)SCC(C)C 62a_100000032637_100000210760 [0,1,0,0,0,1|2,0,0]=4 979 B9R0.64 CCC(C)(C)SCC(C)C 62a_100000210624_100000032637 [0,1,0,0,0,1|2,0,0]=4 980 B9R0.64 CCC(C)(C)SCC(C)O 62a_100000032637_100011218427 [0,1,0,0,0,1|1,0,0]=3 981 B9R0.64 CCC(C)(C)SCC(C)O 62a_100011218427_100000032637 [0,1,0,0,0,1|1,0,0]=3 982 B9R0.64 CCC(C)(C)SC[C@@H](C)O 62a_100000032637_100009817552 [0,1,0,0,0,1|1,0,0]=3 983 B9R0.64 CCC(C)(C)SC[C@@H](C)O 62a_100009817552_100000032637 [0,1,0,0,0,1|1,0,0]=3 984 B9R0.64 CNC(C)(C)CCC(C)C 34a_100102657272_200000037585 [0,1,0,0,0,1|2,0,0]=4 985 B9R0.64 COC(C)(C)CCC(C)C 34a_100138415774_200000037585 [0,1,0,0,0,1|1,1,0]=4 986 B9R0.64 COC(C)(C)CCC(C)C 7a_200011218267_200000210301 [0,1,0,0,0,1|1,1,0]=4 987 B9R0.64 COC(C)(C)CNC(C)C 2230a_100000763424_100000210206 [0,1,0,0,0,1|1,1,0]=4 988 B9R0.64 COC(C)(C)CNC(C)C 34a_100138425928_100000701081 [0,1,0,0,0,1|1,1,0]=4 989 B9R0.64 COC(C)(C)COC(C)C 34a_100000212225_100000701081 [0,1,0,0,0,1|1,1,0]=4 990 B9R0.64 COC(C)(C)CSC(C)C 62a_100000210206_100000701081 [0,1,0,0,0,1|1,1,0]=4 991 B9R0.64 COC(C)(C)CSC(C)C 62a_100000701081_100000210206 [0,1,0,0,0,1|1,1,0]=4 992 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000037585_200000210301 [0,1,0,0,0,1|1,0,0]=3 993 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000210301_200000037585 [0,1,0,0,0,1|1,0,0]=3 994 B9R0.64 C[C@@H](Cl)COC(C)(C)C#N 34a_100016084084_100011162410 [0,1,0,0,0,1|2,0,0]=4 995 B9R0.64 C[C@@H](N)COC(C)(C)C#N 34a_100000737577_100011162410 [0,1,0,0,0,1|2,0,0]=4 996 B9R0.64 C[C@@H](O)CNC(C)(C)CO 2230a_100000210608_100009817552 [0,1,0,0,0,1|0,1,0]=3 997 B9R0.64 C[C@@H](O)COC(C)(C)C#N 34a_200015195151_100009817552 [0,1,0,0,0,1|1,0,0]=3 998 B9R0.64 C[C@@H](O)COC(C)(C)CCl 7a_100000764493_100009817552 [0,1,0,0,0,1|1,0,0]=3 999 B9R0.64 C[C@@H](O)CSC(C)(C)C#N 62a_100009817552_100011162410 [0,1,0,0,0,1|1,0,0]=3 1000 B9R0.64 C[C@@H](O)CSC(C)(C)C#N 62a_100011162410_100009817552 [0,1,0,0,0,1|1,0,0]=3 1001 B9R0.64 C[C@@H](O)CSC(F)(F)CO 62a_100009817552_100011217949 [0,1,0,0,0,1|2,0,0]=4 1002 B9R0.64 C[C@@H](O)CSC(F)(F)CO 62a_100011217949_100009817552 [0,1,0,0,0,1|2,0,0]=4 1003 B9R0.77 CC(C)(C)COC(C)(C)C 34a_100015890283_100011219605 [0,1,0,0,0,1|2,0,0]=4 1004 B9R0.77 CC(C)(C)CSC(C)(C)C 62a_100000211941_100011219605 [0,1,0,0,0,1|2,0,0]=4 1005 B9R0.77 CC(C)(C)CSC(C)(C)C 62a_100011219605_100000211941 [0,1,0,0,0,1|2,0,0]=4 1006 B9R0.77 CC(C)(F)COC(C)(C)C 34a_100000716592_100000210625 [0,1,0,0,0,1|2,0,0]=4 1007 B9R0.77 CC(C)(F)COC(C)(C)C 34a_100015890283_100011997219 [0,1,0,0,0,1|2,0,0]=4 1008 B9R0.77 CC(C)(F)CSC(C)(C)C 62a_100000211941_100011997219 [0,1,0,0,0,1|2,0,0]=4 1009 B9R0.77 CC(C)(F)CSC(C)(C)C 62a_100011997219_100000211941 [0,1,0,0,0,1|2,0,0]=4 1010 B9R0.77 CC(C)(O)COC(C)(C)C 34a_100015890283_100000764493 [0,1,0,0,0,1|1,0,0]=3 1011 B9R0.77 CC(C)(O)COC(C)(C)C 7a_100015890283_100000764493 [0,1,0,0,0,1|1,0,0]=3 1012 B9R0.77 CC(C)(O)CSC(C)(C)C 62a_100000211941_100000764493 [0,1,0,0,0,1|1,0,0]=3 1013 B9R0.77 CC(C)(O)CSC(C)(C)C 62a_100000764493_100000211941 [0,1,0,0,0,1|1,0,0]=3 1014 B9R0.77 CC(F)(F)COC(C)(C)C 34a_100000068830_100000210625 [0,1,0,0,0,1|2,0,0]=4 1015 B9R0.22 C#CC(C)(C)NC(C)CO 34a_100000054563_100012180447 [0,2,0,0,0,0|2,0,0]=4 1016 B9R0.22 C#CC(C)(C)OC(C)CO 34a_100000189450_100012180447 [0,2,0,0,0,0|2,0,0]=4 1017 B9R0.22 C#CC(C)(C)OC(C)CO 7a_100000189450_100012180447 [0,2,0,0,0,0|2,0,0]=4 1018 B9R0.22 C#CC(C)(C)SC(C)CO 62a_100012180447_100000038118 [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.22 C#CC(C)(C)SC(C)OC 62a_100000038118_100009879195 [0,2,0,0,0,0|2,0,0]=4 1020 B9R0.22 C#CC(C)(C)SC(C)OC 62a_100009879195_100000038118 [0,2,0,0,0,0|2,0,0]=4 1021 B9R0.22 C#CC(C)(C)S[C@H](C)CO 62a_100000038118_100016084084 [0,2,0,0,0,0|2,0,0]=4 1022 B9R0.22 C#CC(C)(C)S[C@H](C)CO 62a_100016084084_100000038118 [0,2,0,0,0,0|2,0,0]=4 1023 B9R0.22 C=CC(C)(C)OC(C)CO 34a_100011215311_100012180447 [0,2,0,0,0,0|2,0,0]=4 1024 B9R0.22 C=CC(C)(C)OC(C)CO 7a_100011215311_100012180447 [0,2,0,0,0,0|2,0,0]=4 1025 B9R0.22 CC(CO)NC(C)(C)CO 2230a_100000210608_100012180447 [0,2,0,0,0,0|1,1,0]=4 1026 B9R0.22 CC(CO)OC(C)(C)C#N 34a_200015195151_100012180447 [0,2,0,0,0,0|2,0,0]=4 1027 B9R0.22 CC(CO)OC(C)(C)CCl 7a_100000764493_100012180447 [0,2,0,0,0,0|2,0,0]=4 1028 B9R0.22 CC(CO)SC(C)(C)C#N 62a_100012180447_100011162410 [0,2,0,0,0,0|2,0,0]=4 1029 B9R0.22 CCC(C)(C)NC(C)CO 2230a_100000211385_100012180447 [0,2,0,0,0,0|2,0,0]=4 1030 B9R0.22 CCC(C)(C)OC(C)CO 7a_100000210230_100012180447 [0,2,0,0,0,0|2,0,0]=4 1031 B9R0.22 CCC(C)(C)SC(C)CO 62a_100012180447_100000032637 [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.22 CCC(C)(C)SC(C)OC 62a_100000032637_100009879195 [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.22 CCC(C)(C)SC(C)OC 62a_100009879195_100000032637 [0,2,0,0,0,0|2,0,0]=4 1034 B9R0.22 CCC(C)(C)S[C@H](C)CO 62a_100000032637_100016084084 [0,2,0,0,0,0|2,0,0]=4 1035 B9R0.22 CCC(C)(C)S[C@H](C)CO 62a_100016084084_100000032637 [0,2,0,0,0,0|2,0,0]=4 1036 B9R0.22 COC(C)(C)CC(C)O[13CH3] 7a_200011252547_200025704644 [0,2,0,0,0,0|0,1,0]=3 1037 B9R0.22 COC(C)CC(C)(C)OC 7a_200011252547_200000210301 [0,2,0,0,0,0|0,1,0]=3 1038 B9R0.22 COC(C)SC(C)(C)C#N 62a_100009879195_100011162410 [0,2,0,0,0,0|2,0,0]=4 1039 B9R0.22 COC(C)SC(C)(C)C#N 62a_100011162410_100009879195 [0,2,0,0,0,0|2,0,0]=4 1040 B9R0.22 C[C@H](CO)SC(C)(C)C#N 62a_100011162410_100016084084 [0,2,0,0,0,0|2,0,0]=4 1041 B9R0.22 C[C@H](CO)SC(C)(C)C#N 62a_100016084084_100011162410 [0,2,0,0,0,0|2,0,0]=4 1042 B9R0.25 CC(CO)N(C)C(C)(C)C 269982a_100000693034_100000210625 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.25 COC(C)N(C)C(C)(C)C 269982a_100011215553_100009879195 [0,2,0,0,0,0|2,0,0]=4 1044 B9R0.25 C[C@H](CO)N(C)C(C)(C)C 269982a_100011215553_100016084084 [0,2,0,0,0,0|2,0,0]=4 1045 B9R0.30 CC(C)(C)CC(C)(C)N[13CH3] 2230a_100000211918_200025704644 [0,2,0,0,0,0|2,0,0]=4 1046 B9R0.30 CC(C)(C)CC(C)(C)O[13CH3] 7a_100000065652_200025704644 [0,2,0,0,0,0|1,0,0]=3 1047 B9R0.30 CNC(C)(C)CC(C)(C)C 2230a_100000211918_200000210301 [0,2,0,0,0,0|2,0,0]=4 1048 B9R0.30 COC(C)(C)CC(C)(C)C 7a_100000065652_200000210301 [0,2,0,0,0,0|1,0,0]=3 1049 B9R0.44 CC(C)(C)CN([13CH3])CCO 2230a_100000752879_200025704644 [0,2,0,0,0,0|2,0,0]=4 1050 B9R0.44 CC(C)(C)CN([13CH3])CCO 269982a_100000752879_200025704644 [0,2,0,0,0,0|2,0,0]=4 1051 B9R0.44 CC(CC(C)(C)C)OCF 7a_200011218616_100015361967 [0,2,0,0,0,0|1,0,0]=3 1052 B9R0.44 CC(CCO)NC(C)(C)C 2230a_100000715429_100009893172 [0,2,0,0,0,0|2,0,0]=4 1053 B9R0.44 CC(CCO)OC(C)(C)C 34a_100015890283_100009893172 [0,2,0,0,0,0|2,0,0]=4 1054 B9R0.44 CC(CCO)OC(C)(C)C 7a_100015890283_100009893172 [0,2,0,0,0,0|2,0,0]=4 1055 B9R0.44 CC(CCO)SC(C)(C)C 62a_100000211941_100009893172 [0,2,0,0,0,0|2,0,0]=4 1056 B9R0.44 CC(CCO)SC(C)(C)C 62a_100009893172_100000211941 [0,2,0,0,0,0|2,0,0]=4 1057 B9R0.44 CC(CO[13CH3])CC(C)(C)C 7a_200011215325_200025704644 [0,2,0,0,0,0|1,0,0]=3 1058 B9R0.44 CCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210202 [0,2,0,0,0,0|2,0,0]=4 1059 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [0,2,0,0,0,0|1,0,0]=3 1060 B9R0.44 CN(CCO)CC(C)(C)C 2230a_100000742839_100000211926 [0,2,0,0,0,0|2,0,0]=4 1061 B9R0.44 CN(CCO)CC(C)(C)C 2230a_100000752879_200000210301 [0,2,0,0,0,0|2,0,0]=4 1062 B9R0.44 CN(CCO)CC(C)(C)C 269982a_100000742839_100000211926 [0,2,0,0,0,0|2,0,0]=4 1063 B9R0.44 CN(CCO)CC(C)(C)C 269982a_100000752879_200000210301 [0,2,0,0,0,0|2,0,0]=4 1064 B9R0.44 CN(CCO)CC(C)(C)C 270004a_100000210263_100011204126 [0,2,0,0,0,0|2,0,0]=4 1065 B9R0.44 CN(CCO)CC(C)(C)O 2230a_100000755907_100000211926 [0,2,0,0,0,0|1,1,0]=4 1066 B9R0.44 CN(CCO)CC(C)(C)O 269982a_100000755907_100000211926 [0,2,0,0,0,0|1,1,0]=4 1067 B9R0.44 CNCC(O)C[N+](C)(C)C 2230a_106832991635_100000032816 [0,2,0,0,0,0|2,0,0]=4 1068 B9R0.44 CNCC(O)C[N+](C)(C)C 34a_100102657272_100000032816 [0,2,0,0,0,0|2,0,0]=4 1069 B9R0.44 CNCC(O)C[N+](C)(C)C 7a_106832991635_100000032816 [0,2,0,0,0,0|2,0,0]=4 1070 B9R0.44 COCC(C)CC(C)(C)C 7a_200011215325_200000210301 [0,2,0,0,0,0|1,0,0]=3 1071 B9R0.44 COCC(C)NC(C)(C)C 2230a_100000715429_100000765312 [0,2,0,0,0,0|2,0,0]=4 1072 B9R0.44 COCC(C)OC(C)(C)C 34a_100015890283_100000765312 [0,2,0,0,0,0|2,0,0]=4 1073 B9R0.44 COCC(C)OC(C)(C)C 7a_100015890283_100000765312 [0,2,0,0,0,0|2,0,0]=4 1074 B9R0.44 COCC(C)SC(C)(C)C 62a_100000211941_100000765312 [0,2,0,0,0,0|2,0,0]=4 1075 B9R0.44 COCC(C)SC(C)(C)C 62a_100000765312_100000211941 [0,2,0,0,0,0|2,0,0]=4 1076 B9R0.44 COCC(O)C[N+](C)(C)C 34a_100138415774_100000032816 [0,2,0,0,0,0|2,0,0]=4 1077 B9R0.44 COCN(C)CC(C)(C)C 2230a_100000742839_100000766300 [0,2,0,0,0,0|2,0,0]=4 1078 B9R0.44 COCN(C)CC(C)(C)C 269982a_100000742839_100000766300 [0,2,0,0,0,0|2,0,0]=4 1079 B9R0.44 COCN(C)CC(C)(C)O 2230a_100000755907_100000766300 [0,2,0,0,0,0|1,1,0]=4 1080 B9R0.44 COCN(C)CC(C)(C)O 269982a_100000755907_100000766300 [0,2,0,0,0,0|1,1,0]=4 1081 B9R0.44 COC[C@@H](C)OC(C)(C)C 34a_100011934205_100000210625 [0,2,0,0,0,0|2,0,0]=4 1082 B9R0.44 CSCC(O)C[N+](C)(C)C 62a_100000032816_200000210301 [0,2,0,0,0,0|2,0,0]=4 1083 B9R0.44 CSCC(O)C[N+](C)(C)C 62a_200000210301_100000032816 [0,2,0,0,0,0|2,0,0]=4 1084 B9R0.44 C[C@H](CCO)NC(C)(C)C 34a_100000706166_100000210625 [0,2,0,0,0,0|2,0,0]=4 1085 B9R0.44 C[N+](C)(C)CC(O)CS[13CH3] 62a_100000032816_200025704644 [0,2,0,0,0,0|2,0,0]=4 1086 B9R0.44 C[N+](C)(C)CC(O)CS[13CH3] 62a_200025704644_100000032816 [0,2,0,0,0,0|2,0,0]=4 1087 B9R0.32 C#CC(C)(C)C(=O)[C@@H](C)O 1458a_100000717761_100000038118 [0,2,0,0,0,0|1,0,1]=4 1088 B9R0.32 C#CC(C)(C)C(=O)[C@H](C)O 1458a_217856618621_100000038118 [0,2,0,0,0,0|1,0,1]=4 1089 B9R0.72 CC(C)[C@H](N[13CH3])C(C)(C)O 2230a_100000718284_200025704644 [0,2,0,0,0,0|1,1,0]=4 1090 B9R0.72 CN[C@@H](C(C)C)C(C)(C)O 2230a_100000718284_200000210301 [0,2,0,0,0,0|1,1,0]=4 1091 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,2,0,0,0,0|1,1,0]=4 1092 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,2,0,0,0,0|1,1,0]=4 1093 B9R0.58 CCNC(C)(C)CC(C)C 2230a_100011346068_100000210202 [0,2,0,0,0,0|2,0,0]=4 1094 B9R0.58 CSCC(C)(C)NC(C)C 2230a_100000759623_100000210206 [0,2,0,0,0,0|2,0,0]=4 1095 B9R0.58 CSCC(C)(C)NC(C)C 7a_100000759623_100000210206 [0,2,0,0,0,0|2,0,0]=4 1096 B9R0.63 C#CC(C)(CC(C)C)OC 34a_100011215516_200000210301 [0,2,0,0,0,0|2,0,0]=4 1097 B9R0.63 C#CC(C)(CC(C)C)OC 7a_100011215516_200000210301 [0,2,0,0,0,0|2,0,0]=4 1098 B9R0.63 C#CC(C)(CC(C)C)O[13CH3] 34a_100011215516_200025704644 [0,2,0,0,0,0|2,0,0]=4 1099 B9R0.63 C#CC(C)(CC(C)C)O[13CH3] 7a_100011215516_200025704644 [0,2,0,0,0,0|2,0,0]=4 1100 B9R0.63 CCC(C)(CC(C)C)OC 7a_200011215086_200000210301 [0,2,0,0,0,0|1,1,0]=4 1101 B9R0.63 CCC(C)(CC(C)C)O[13CH3] 7a_200011215086_200025704644 [0,2,0,0,0,0|1,1,0]=4 1102 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,0,0,1,0,0|1,0,0]=3 1103 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,0,0,1,0,0|1,0,0]=3 1104 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [1,0,0,1,0,0|2,0,0]=4 1105 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [1,0,0,1,0,0|2,0,0]=4 1106 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [1,0,0,1,0,0|2,0,0]=4 1107 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 1108 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 1109 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 1110 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 1111 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 1112 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 1113 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,0,0,1,0,0|1,0,0]=3 1114 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,0,0,1,0,0|1,0,0]=3 1115 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [1,0,0,1,0,0|2,0,0]=4 1116 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [1,0,0,1,0,0|2,0,0]=4 1117 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [1,0,0,1,0,0|2,0,0]=4 1118 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|0,0,2]=4 1119 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|0,0,2]=4 1120 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [1,0,0,1,0,0|2,0,0]=4 1121 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [1,0,0,1,0,0|2,0,0]=4 1122 B7R1.16 CC1(CN(C1)[13CH3])F 2230a_100000696199_200025704644 [1,0,0,1,0,0|2,0,0]=4 1123 B7R1.16 CC1(CN(C1)[13CH3])F 269982a_100000696199_200025704644 [1,0,0,1,0,0|2,0,0]=4 1124 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [1,0,0,1,0,0|1,0,0]=3 1125 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [1,0,0,1,0,0|1,0,0]=3 1126 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [1,0,0,1,0,0|2,0,0]=4 1127 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [1,0,0,1,0,0|2,0,0]=4 1128 B7R1.16 CN1CC(C1)(C)F 2230a_100000696199_200000210301 [1,0,0,1,0,0|2,0,0]=4 1129 B7R1.16 CN1CC(C1)(C)F 269982a_100000696199_200000210301 [1,0,0,1,0,0|2,0,0]=4 1130 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [1,0,0,1,0,0|1,0,0]=3 1131 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [1,0,0,1,0,0|1,0,0]=3 1132 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|0,0,2]=4 1133 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|0,0,2]=4 1134 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|0,1,1]=4 1135 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|0,0,2]=4 1136 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|0,1,1]=4 1137 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [1,0,0,1,0,0|2,0,0]=4 1138 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [1,0,0,1,0,0|2,0,0]=4 1139 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [1,0,0,1,0,0|2,0,0]=4 1140 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [1,0,0,1,0,0|2,0,0]=4 1141 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 1142 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [1,0,0,1,0,0|2,0,0]=4 1143 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 1144 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [1,0,0,1,0,0|2,0,0]=4 1145 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [1,0,0,1,0,0|1,0,0]=3 1146 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [1,0,0,1,0,0|1,0,0]=3 1147 B7R1.20 CN(C)CC1CS1 269982a_100102631434_100000031435 [1,0,0,1,0,0|1,1,0]=4 1148 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [1,0,0,1,0,0|1,0,0]=3 1149 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 1150 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 1151 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|0,0,2]=4 1152 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [1,0,0,1,0,0|2,0,0]=4 1153 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [1,0,0,1,0,0|2,0,0]=4 1154 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|1,1,0]=4 1155 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|1,1,0]=4 1156 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [1,0,0,1,0,0|2,0,0]=4 1157 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [1,0,0,1,0,0|2,0,0]=4 1158 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [1,0,0,1,0,0|2,0,0]=4 1159 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [1,0,0,1,0,0|1,1,0]=4 1160 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [1,0,0,1,0,0|1,1,0]=4 1161 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [1,0,0,1,0,0|2,0,0]=4 1162 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [1,0,0,1,0,0|2,0,0]=4 1163 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [1,0,0,1,0,0|2,0,0]=4 1164 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [1,0,0,1,0,0|1,1,0]=4 1165 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|1,1,0]=4 1166 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|1,1,0]=4 1167 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [1,0,0,1,0,0|1,1,0]=4 1168 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [1,0,0,1,0,0|2,0,0]=4 1169 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [1,0,0,1,0,0|2,0,0]=4 1170 B9R1.47 CC(C)(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000210625 [0,0,0,1,0,1|2,0,0]=4 1171 B9R1.51 CC(C)(C)N1CC(C1)F 269982a_100000690557_100000210625 [0,0,0,1,0,1|2,0,0]=4 1172 B9R1.51 CC(C)(C)N1CC(C1)F 34a_100000690557_100000210625 [0,0,0,1,0,1|2,0,0]=4 1173 B9R1.51 CC(C)(C)N1CC(C1)O 269982a_100000749847_100000210625 [0,0,0,1,0,1|1,0,0]=3 1174 B9R1.51 CC1CN(C1)C(C)(C)C 269982a_100000702820_100000210625 [0,0,0,1,0,1|2,0,0]=4 1175 B9R1.51 CC1CN(C1)C(C)(C)C 34a_100000702820_100000210625 [0,0,0,1,0,1|2,0,0]=4 1176 B9R1.115 CC(C)(C)CNC1CC1 34a_100000212008_100011219605 [0,0,0,1,0,1|2,0,0]=4 1177 B9R1.115 CC(C)(C)CSC1CC1 62a_100011219605_100000211595 [0,0,0,1,0,1|2,0,0]=4 1178 B9R1.115 CC(C)(C)NCC1CC1 2230a_100000715429_100000742324 [0,0,0,1,0,1|2,0,0]=4 1179 B9R1.115 CC(C)(C)NCC1CC1 34a_100000735609_100000210625 [0,0,0,1,0,1|2,0,0]=4 1180 B9R1.115 CC(C)(C)NCC1CO1 2230a_100000715429_100011216344 [0,0,0,1,0,1|1,0,0]=3 1181 B9R1.115 CC(C)(C)OCC1CC1 34a_100000211283_100000210625 [0,0,0,1,0,1|2,0,0]=4 1182 B9R1.115 CC(C)(C)OCC1CC1 34a_100015890283_100000742324 [0,0,0,1,0,1|2,0,0]=4 1183 B9R1.115 CC(C)(C)OCC1CC1 7a_100015890283_100000742324 [0,0,0,1,0,1|2,0,0]=4 1184 B9R1.115 CC(C)(C)OCC1CO1 34a_100015890283_102125554688 [0,0,0,1,0,1|1,0,0]=3 1185 B9R1.115 CC(C)(C)OCC1CO1 7a_100015890283_102125554688 [0,0,0,1,0,1|1,0,0]=3 1186 B9R1.115 CC(C)(C)OCC1CS1 7a_100015890283_100000031435 [0,0,0,1,0,1|1,1,0]=4 1187 B9R1.115 CC(C)(C)OC[C@@H]1CO1 34a_100000757423_100000210625 [0,0,0,1,0,1|1,0,0]=3 1188 B9R1.115 CC(C)(C)OC[C@@H]1CO1 7a_100015890283_100000745022 [0,0,0,1,0,1|1,0,0]=3 1189 B9R1.115 CC(C)(C)SCC1CC1 62a_100000211941_100000742324 [0,0,0,1,0,1|2,0,0]=4 1190 B9R1.115 CC(C)(C)SCC1CC1 62a_100000756562_100000211941 [0,0,0,1,0,1|2,0,0]=4 1191 B9R1.115 CC(C)(C)SCC1CO1 62a_100000211941_102125554688 [0,0,0,1,0,1|1,0,0]=3 1192 B9R1.115 CC(C)(C)SCC1CO1 62a_102125554688_100000211941 [0,0,0,1,0,1|1,0,0]=3 1193 B9R1.115 CC(C)(C)SCC1CS1 62a_100000031435_100000211941 [0,0,0,1,0,1|1,1,0]=4 1194 B9R1.115 CC(C)(C)SCC1CS1 62a_100000211941_100000031435 [0,0,0,1,0,1|1,1,0]=4 1195 B9R1.115 CC(C)(C)SC[C@@H]1CO1 62a_100000211941_100000745022 [0,0,0,1,0,1|1,0,0]=3 1196 B9R1.115 CC(C)(C)SC[C@@H]1CO1 62a_100000745022_100000211941 [0,0,0,1,0,1|1,0,0]=3 1197 B9R1.115 CC(C)(F)CNC1CC1 34a_100000212008_100011997219 [0,0,0,1,0,1|2,0,0]=4 1198 B9R1.115 CC(C)(F)COC1CC1 34a_100000716592_100000211595 [0,0,0,1,0,1|2,0,0]=4 1199 B9R1.115 CC(C)(F)CSC1CC1 62a_100011997219_100000211595 [0,0,0,1,0,1|2,0,0]=4 1200 B9R1.115 CC(C)(O)CNC1CC1 34a_100000212008_100000764493 [0,0,0,1,0,1|1,1,0]=4 1201 B9R1.115 CC(C)(O)CSC1CC1 62a_100000764493_100000211595 [0,0,0,1,0,1|1,1,0]=4 1202 B9R1.147 CC(C)CNC1(CC1)C 2230a_100000757604_100000210760 [0,0,0,1,0,1|2,0,0]=4 1203 B9R1.147 CC(C)COC1(CC1)C 7a_100011725673_100000210760 [0,0,0,1,0,1|2,0,0]=4 1204 B9R1.147 CC(C)NCC1(CC1)C 2230a_100000766693_100000210206 [0,0,0,1,0,1|2,0,0]=4 1205 B9R1.147 CC(C)NCC1(CC1)O 2230a_100011936951_100000210206 [0,0,0,1,0,1|1,1,0]=4 1206 B9R1.147 CC(C)NCC1(CO1)C 34a_100138425928_100000760498 [0,0,0,1,0,1|1,1,0]=4 1207 B9R1.147 CC(C)OCC1(CC1)C 7a_100000698024_100000210206 [0,0,0,1,0,1|2,0,0]=4 1208 B9R1.147 CC(C)OCC1(CC1)F 34a_200000703853_100000210206 [0,0,0,1,0,1|2,0,0]=4 1209 B9R1.147 CC(C)OCC1(CC1)F 7a_200000703853_100000210206 [0,0,0,1,0,1|2,0,0]=4 1210 B9R1.147 CC(C)OCC1(CO1)C 34a_100000212225_100000760498 [0,0,0,1,0,1|1,1,0]=4 1211 B9R1.147 CC(C)SCC1(CO1)C 62a_100000210206_100000760498 [0,0,0,1,0,1|1,1,0]=4 1212 B9R1.147 CC(C)SCC1(CO1)C 62a_100000760498_100000210206 [0,0,0,1,0,1|1,1,0]=4 1213 B9R1.147 CC(O)CNC1(CC1)C 2230a_100000757604_100011218427 [0,0,0,1,0,1|1,0,0]=3 1214 B9R1.147 CC(O)COC1(CC1)C 7a_100011725673_100011218427 [0,0,0,1,0,1|1,0,0]=3 1215 B9R1.147 C[C@@H](O)CNC1(CC1)C 2230a_100000757604_100009817552 [0,0,0,1,0,1|1,0,0]=3 1216 B9R1.147 C[C@@H](O)COC1(CC1)C 7a_100011725673_100009817552 [0,0,0,1,0,1|1,0,0]=3 1217 B9R1.164 CC(C)N1CC(C1)(C)C 2230a_100000753659_100000210206 [0,0,0,1,0,1|2,0,0]=4 1218 B9R1.164 CC(C)N1CC(C1)(C)C 269982a_100000753659_100000210206 [0,0,0,1,0,1|2,0,0]=4 1219 B9R1.164 CC(C)N1CC(C1)(C)F 2230a_100000696199_100000210206 [0,0,0,1,0,1|2,0,0]=4 1220 B9R1.164 CC(C)N1CC(C1)(C)F 269982a_100000696199_100000210206 [0,0,0,1,0,1|2,0,0]=4 1221 B9R1.164 CC(C)N1CC(C1)(C)O 2230a_100000718560_100000210206 [0,0,0,1,0,1|1,1,0]=4 1222 B9R1.164 CC(C)N1CC(C1)(C)O 269982a_100000718560_100000210206 [0,0,0,1,0,1|1,1,0]=4 1223 B9R1.113 CC(CO)NC1(CC1)C 2230a_100000757604_100012180447 [0,1,0,1,0,0|2,0,0]=4 1224 B9R1.113 CC(CO)OC1(CC1)C 7a_100011725673_100012180447 [0,1,0,1,0,0|2,0,0]=4 1225 B9R1.114 CC(C)(C)OC1COC1 34a_100015890283_100009818527 [0,1,0,1,0,0|2,0,0]=4 1226 B9R1.114 CC(C)(C)OC1COC1 7a_100015890283_100009818527 [0,1,0,1,0,0|2,0,0]=4 1227 B9R1.114 CC(C)(C)SC1COC1 62a_100000211941_100009818527 [0,1,0,1,0,0|2,0,0]=4 1228 B9R1.133 CNC1CCC(C1)(C)C 270004a_106832991635_100000759959 [0,1,0,1,0,0|2,0,0]=4 1229 B9R1.128 CC(C)CC1(CC1)N[13CH3] 2230a_100000732712_200025704644 [0,1,0,1,0,0|2,0,0]=4 1230 B9R1.128 CNC1(CC1)CC(C)C 2230a_100000732712_200000210301 [0,1,0,1,0,0|2,0,0]=4 1231 B9R1.171 CC(C)OC1(CSC1)C 7a_100016018533_100000210206 [0,1,0,1,0,0|2,0,0]=4 1232 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,1,0|0,0,2]=4 1233 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,1,0|0,0,2]=4 1234 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,1,0|0,1,1]=4 1235 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,1,0|0,1,1]=4 1236 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,1,0|0,0,2]=4 1237 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,0,0,1,0|2,0,0]=4 1238 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,0,0,1,0|2,0,0]=4 1239 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,0,0,1,0|2,0,0]=4 1240 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,0,0,1,0|2,0,0]=4 1241 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,1,0|0,1,1]=4 1242 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,1,0|0,1,1]=4 1243 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,0,0,0,0,1|1,0,1]=4 1244 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,0,0,0,0,1|1,0,1]=4 1245 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,0,0,0,0,1|1,0,1]=4 1246 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,0,0,0,0,1|1,0,1]=4 1247 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,0,0,0,0,1|1,0,1]=4 1248 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,0,0,0,0,1|1,0,1]=4 1249 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,1|0,0,2]=4 1250 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,1|0,0,2]=4 1251 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,1|0,1,1]=4 1252 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,1|0,0,2]=4 1253 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,1|0,0,2]=4 1254 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,1|0,0,2]=4 1255 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,1|0,0,2]=4 1256 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,1|0,0,2]=4 1257 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,1|0,0,2]=4 1258 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,1|0,0,2]=4 1259 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,1|0,1,1]=4 1260 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,1|0,1,1]=4 1261 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,1|0,1,1]=4 1262 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [1,0,0,0,0,1|1,0,0]=3 1263 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,1|0,0,2]=4 1264 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,0,0,0,1|2,0,0]=4 1265 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,0,0,0,1|2,0,0]=4 1266 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,0,0,0,1|2,0,0]=4 1267 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,0,0,0,1|2,0,0]=4 1268 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,0,0,0,1|2,0,0]=4 1269 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,0,0,0,1|2,0,0]=4 1270 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [1,0,0,0,0,1|1,0,0]=3 1271 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [1,0,0,0,0,1|1,0,0]=3 1272 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [1,0,0,0,0,1|1,0,0]=3 1273 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [1,0,0,0,0,1|1,0,0]=3 1274 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,0,0,0,0,1|1,0,0]=3 1275 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,0,0,0,0,1|1,0,0]=3 1276 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [1,0,0,0,0,1|1,0,0]=3 1277 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [1,0,0,0,0,1|1,0,0]=3 1278 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,1|1,0,1]=4 1279 B7R0.6 CC(C)NCC(F)F 2230a_100138425928_100011934356 [1,0,0,0,0,1|2,0,0]=4 1280 B7R0.6 CC(C)NCC(F)F 34a_100000765723_100000210206 [1,0,0,0,0,1|2,0,0]=4 1281 B7R0.6 CC(C)NCC(F)F 34a_100138425928_100011934356 [1,0,0,0,0,1|2,0,0]=4 1282 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [1,0,0,0,0,1|0,0,0]=2 1283 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [1,0,0,0,0,1|0,0,0]=2 1284 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,1|0,0,2]=4 1285 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [1,0,0,0,0,1|2,0,0]=4 1286 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [1,0,0,0,0,1|2,0,0]=4 1287 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [1,0,0,0,0,1|2,0,0]=4 1288 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [1,0,0,0,0,1|2,0,0]=4 1289 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [1,0,0,0,0,1|1,0,0]=3 1290 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [1,0,0,0,0,1|1,0,0]=3 1291 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,0,0,0,0,1|0,0,0]=2 1292 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,1|0,0,2]=4 1293 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [1,0,0,0,0,1|2,0,0]=4 1294 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [1,0,0,0,0,1|2,0,0]=4 1295 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [1,0,0,0,0,1|0,0,0]=2 1296 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [1,0,0,0,0,1|0,0,0]=2 1297 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [1,0,0,0,0,1|1,0,0]=3 1298 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,0,0,0,0,1|1,0,0]=3 1299 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,0,0,0,0,1|1,0,0]=3 1300 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [1,0,0,0,0,1|0,0,0]=2 1301 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [1,0,0,0,0,1|0,0,0]=2 1302 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [1,0,0,0,0,1|0,0,0]=2 1303 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [1,0,0,0,0,1|0,0,0]=2 1304 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,0,0,0,0,1|0,0,0]=2 1305 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [1,0,0,0,0,1|0,0,0]=2 1306 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [1,0,0,0,0,1|0,0,0]=2 1307 B9R0.56 CC(Br)CCOC(C)(C)C 34a_100009893172_100000210625 [0,0,0,0,0,2|2,0,0]=4 1308 B9R0.56 CC(Br)COCC(C)(C)C 34a_100012180447_100011219605 [0,0,0,0,0,2|2,0,0]=4 1309 B9R0.56 CC(Br)COCC(C)(C)F 34a_100012180447_100011997219 [0,0,0,0,0,2|2,0,0]=4 1310 B9R0.56 CC(Br)COCC(C)(C)O 34a_100012180447_100000764493 [0,0,0,0,0,2|1,1,0]=4 1311 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [0,0,0,0,0,2|2,0,0]=4 1312 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [0,0,0,0,0,2|2,0,0]=4 1313 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [0,0,0,0,0,2|2,0,0]=4 1314 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [0,0,0,0,0,2|2,0,0]=4 1315 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [0,0,0,0,0,2|2,0,0]=4 1316 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [0,0,0,0,0,2|2,0,0]=4 1317 B9R0.56 CC(C)CNCC(C)(C)C 2230a_100000743828_100000210760 [0,0,0,0,0,2|2,0,0]=4 1318 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000210953_100011204126 [0,0,0,0,0,2|2,0,0]=4 1319 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000743828_100000210432 [0,0,0,0,0,2|2,0,0]=4 1320 B9R0.56 CC(C)CNCC(C)(C)C 34a_100000210953_100011219605 [0,0,0,0,0,2|2,0,0]=4 1321 B9R0.56 CC(C)CNCC(C)(C)F 2230a_100020643315_100000210760 [0,0,0,0,0,2|2,0,0]=4 1322 B9R0.56 CC(C)CNCC(C)(C)F 270004a_100020643315_100000210432 [0,0,0,0,0,2|2,0,0]=4 1323 B9R0.56 CC(C)CNCC(C)(C)F 34a_100000210953_100011997219 [0,0,0,0,0,2|2,0,0]=4 1324 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [0,0,0,0,0,2|1,1,0]=4 1325 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [0,0,0,0,0,2|1,1,0]=4 1326 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [0,0,0,0,0,2|1,1,0]=4 1327 B9R0.56 CC(C)COCC(C)(C)C 34a_100000210257_100011219605 [0,0,0,0,0,2|2,0,0]=4 1328 B9R0.56 CC(C)COCC(C)(C)F 34a_100000210257_100011997219 [0,0,0,0,0,2|2,0,0]=4 1329 B9R0.56 CC(C)COCC(C)(C)F 34a_100000716592_100000210624 [0,0,0,0,0,2|2,0,0]=4 1330 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [0,0,0,0,0,2|1,1,0]=4 1331 B9R0.56 CC(C)CSCC(C)(C)C 62a_100000210624_100011219605 [0,0,0,0,0,2|2,0,0]=4 1332 B9R0.56 CC(C)CSCC(C)(C)C 62a_100011219605_100000210760 [0,0,0,0,0,2|2,0,0]=4 1333 B9R0.56 CC(C)CSCC(C)(C)F 62a_100000210624_100011997219 [0,0,0,0,0,2|2,0,0]=4 1334 B9R0.56 CC(C)CSCC(C)(C)F 62a_100011997219_100000210760 [0,0,0,0,0,2|2,0,0]=4 1335 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [0,0,0,0,0,2|1,1,0]=4 1336 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [0,0,0,0,0,2|1,1,0]=4 1337 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [0,0,0,0,0,2|2,0,0]=4 1338 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [0,0,0,0,0,2|2,0,0]=4 1339 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [0,0,0,0,0,2|2,0,0]=4 1340 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [0,0,0,0,0,2|2,0,0]=4 1341 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [0,0,0,0,0,2|1,1,0]=4 1342 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [0,0,0,0,0,2|1,1,0]=4 1343 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [0,0,0,0,0,2|2,0,0]=4 1344 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [0,0,0,0,0,2|2,0,0]=4 1345 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,0,0,0,0,2|1,1,0]=4 1346 B9R0.56 CC(C)OCNC(C)(C)C 2230a_100000715429_100000709892 [0,0,0,0,0,2|2,0,0]=4 1347 B9R0.56 CC(C)OCOC(C)(C)C 34a_100015890283_100000709892 [0,0,0,0,0,2|2,0,0]=4 1348 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000211941_100000709892 [0,0,0,0,0,2|2,0,0]=4 1349 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000709892_100000211941 [0,0,0,0,0,2|2,0,0]=4 1350 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [0,0,0,0,0,2|2,0,0]=4 1351 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [0,0,0,0,0,2|2,0,0]=4 1352 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [0,0,0,0,0,2|1,1,0]=4 1353 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [0,0,0,0,0,2|1,1,0]=4 1354 B9R0.56 CC(F)COCC(C)(C)C 34a_100015925927_100011219605 [0,0,0,0,0,2|2,0,0]=4 1355 B9R0.56 CC(F)COCC(C)(C)F 34a_100015925927_100011997219 [0,0,0,0,0,2|2,0,0]=4 1356 B9R0.56 CC(F)COCC(C)(C)O 34a_100015925927_100000764493 [0,0,0,0,0,2|1,1,0]=4 1357 B9R0.56 CC(O)CCNC(C)(C)C 2230a_100000715429_100012276601 [0,0,0,0,0,2|1,0,0]=3 1358 B9R0.56 CC(O)CCOC(C)(C)C 34a_100015890283_100012276601 [0,0,0,0,0,2|1,0,0]=3 1359 B9R0.56 CC(O)CCOC(C)(C)C 7a_100015890283_100012276601 [0,0,0,0,0,2|1,0,0]=3 1360 B9R0.56 CC(O)CCSC(C)(C)C 62a_100000211941_100012276601 [0,0,0,0,0,2|1,0,0]=3 1361 B9R0.56 CC(O)CCSC(C)(C)C 62a_100012276601_100000211941 [0,0,0,0,0,2|1,0,0]=3 1362 B9R0.56 CC(O)CNCC(C)(C)C 2230a_100000743828_100011218427 [0,0,0,0,0,2|1,0,0]=3 1363 B9R0.56 CC(O)CNCC(C)(C)C 270004a_100000210904_100011204126 [0,0,0,0,0,2|1,0,0]=3 1364 B9R0.56 CC(O)CNCC(C)(C)C 34a_100000210904_100011219605 [0,0,0,0,0,2|1,0,0]=3 1365 B9R0.56 CC(O)CNCC(C)(C)F 2230a_100020643315_100011218427 [0,0,0,0,0,2|1,0,0]=3 1366 B9R0.56 CC(O)CNCC(C)(C)F 34a_100000210904_100011997219 [0,0,0,0,0,2|1,0,0]=3 1367 B9R0.56 CC(O)CNCC(C)(C)O 2230a_100000751335_100011218427 [0,0,0,0,0,2|0,1,0]=3 1368 B9R0.56 CC(O)CNCC(C)(C)O 34a_100000210904_100000764493 [0,0,0,0,0,2|0,1,0]=3 1369 B9R0.56 CC(O)CNC[Si](C)(C)C 2230a_100000210904_100000037933 [0,0,0,0,0,2|1,1,0]=4 1370 B9R0.56 CC(O)COCC(C)(C)F 34a_100000716592_100011218427 [0,0,0,0,0,2|1,0,0]=3 1371 B9R0.56 CC(O)COCC(C)(F)F 34a_100000068830_100011218427 [0,0,0,0,0,2|2,0,0]=4 1372 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011218427_100011219605 [0,0,0,0,0,2|1,0,0]=3 1373 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011219605_100011218427 [0,0,0,0,0,2|1,0,0]=3 1374 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011218427_100011997219 [0,0,0,0,0,2|1,0,0]=3 1375 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011997219_100011218427 [0,0,0,0,0,2|1,0,0]=3 1376 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [0,0,0,0,0,2|0,1,0]=3 1377 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [0,0,0,0,0,2|0,1,0]=3 1378 B9R0.56 CC(O)CSC[N+](C)(C)C 62a_100011218427_200000036245 [0,0,0,0,0,2|2,0,0]=4 1379 B9R0.56 CC(O)CSC[N+](C)(C)C 62a_200000036245_100011218427 [0,0,0,0,0,2|2,0,0]=4 1380 B9R0.56 CC(O)CSC[Si](C)(C)C 62a_100000037933_100011218427 [0,0,0,0,0,2|1,1,0]=4 1381 B9R0.56 CC(O)CSC[Si](C)(C)C 62a_100011218427_100000037933 [0,0,0,0,0,2|1,1,0]=4 1382 B9R0.56 C[C@@H](Cl)COCC(C)(C)C 34a_100016084084_100011219605 [0,0,0,0,0,2|2,0,0]=4 1383 B9R0.56 C[C@@H](Cl)COCC(C)(C)F 34a_100016084084_100011997219 [0,0,0,0,0,2|2,0,0]=4 1384 B9R0.56 C[C@@H](Cl)COCC(C)(C)O 34a_100016084084_100000764493 [0,0,0,0,0,2|1,1,0]=4 1385 B9R0.56 C[C@@H](N)CCOC(C)(C)C 34a_100000706166_100000210625 [0,0,0,0,0,2|2,0,0]=4 1386 B9R0.56 C[C@@H](N)COCC(C)(C)C 34a_100000737577_100011219605 [0,0,0,0,0,2|2,0,0]=4 1387 B9R0.56 C[C@@H](N)COCC(C)(C)F 34a_100000737577_100011997219 [0,0,0,0,0,2|2,0,0]=4 1388 B9R0.56 C[C@@H](N)COCC(C)(C)O 34a_100000737577_100000764493 [0,0,0,0,0,2|1,1,0]=4 1389 B9R0.56 C[C@@H](O)CNCC(C)(C)C 2230a_100000743828_100009817552 [0,0,0,0,0,2|1,0,0]=3 1390 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2230a_100020643315_100009817552 [0,0,0,0,0,2|1,0,0]=3 1391 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2230a_100000751335_100009817552 [0,0,0,0,0,2|0,1,0]=3 1392 B9R0.56 C[C@@H](O)COCC(C)(C)F 34a_100000716592_100009817552 [0,0,0,0,0,2|1,0,0]=3 1393 B9R0.56 C[C@@H](O)COCC(C)(F)F 34a_100000068830_100009817552 [0,0,0,0,0,2|2,0,0]=4 1394 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100009817552_100011219605 [0,0,0,0,0,2|1,0,0]=3 1395 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100011219605_100009817552 [0,0,0,0,0,2|1,0,0]=3 1396 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100009817552_100011997219 [0,0,0,0,0,2|1,0,0]=3 1397 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100011997219_100009817552 [0,0,0,0,0,2|1,0,0]=3 1398 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [0,0,0,0,0,2|0,1,0]=3 1399 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [0,0,0,0,0,2|0,1,0]=3 1400 B9R0.56 C[C@@H](O)CSC[N+](C)(C)C 62a_100009817552_200000036245 [0,0,0,0,0,2|2,0,0]=4 1401 B9R0.56 C[C@@H](O)CSC[N+](C)(C)C 62a_200000036245_100009817552 [0,0,0,0,0,2|2,0,0]=4 1402 B9R0.56 C[C@@H](O)CSC[Si](C)(C)C 62a_100000037933_100009817552 [0,0,0,0,0,2|1,1,0]=4 1403 B9R0.56 C[C@@H](O)CSC[Si](C)(C)C 62a_100009817552_100000037933 [0,0,0,0,0,2|1,1,0]=4