0 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,0,0,0,0,0|0,1,0]=1 2 B7R0.9 CC(=O)CC(F)(F)F 1458a_100000245130_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,0,0,0,0,0|2,1,0]=3 4 B7R0.9 CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,0,0,0,0,0|3,1,0]=4 5 B7R0.9 CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [0,0,0,0,0,0|3,1,0]=4 6 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,0,0,0,0,0|1,1,0]=2 8 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,0,0,0,0,0|1,1,0]=2 9 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,0,0,0,0,0|3,1,0]=4 14 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,0,0,0,0,0|0,1,0]=1 16 B7R0.9 CC(C)NC(C)(C)C 2230a_100000715429_100000210206 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.9 CC(C)NC(C)(C)C 34a_100138425928_100000210625 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.9 CC(C)SC(C)(C)C 62a_100000210206_100000211941 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.9 CC(C)SC(C)(C)C 62a_100000211941_100000210206 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,0,0,0,0,0|2,1,0]=3 27 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,0,0,0,0,0|2,1,0]=3 28 B7R0.9 CN(C)C[N+](C)(C)C 269982a_100102631434_200000036245 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.9 CN(C)C[Si](C)(C)C 2230a_100102631434_100000037933 [0,0,0,0,0,0|3,1,0]=4 30 B7R0.9 CN(C)C[Si](C)(C)C 269982a_200020589227_200000210301 [0,0,0,0,0,0|3,1,0]=4 31 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,0,0,0,0,0|2,1,0]=3 34 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,0,0,0,0,0|2,1,0]=3 35 B7R0.9 CN([13CH3])C[Si](C)(C)C 269982a_200020589227_200025704644 [0,0,0,0,0,0|3,1,0]=4 36 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,0,0,0,0,0|2,1,0]=3 37 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,0,0,0,0,0|1,1,0]=2 39 B7R0.9 [13CH3]C(=O)CC(F)(F)F 1458a_100000245130_200025704644 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.2 C=C(F)CN(C)C 2230a_100102631434_100009893438 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.2 C=C(F)CN(C)C 269982a_100102631434_100009893438 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,0,0|0,0,2]=3 54 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|1,1,1]=4 57 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|1,1,1]=4 58 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|1,1,1]=4 59 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|0,0,0]=1 60 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|0,0,0]=1 61 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|0,1,0]=2 62 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|0,1,0]=2 65 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,0,0,0,0,0|2,1,0]=4 66 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|0,0,0]=1 72 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,0,0,0,0|1,0,2]=4 88 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.2 CN(C)C[N+](=O)[O-] 269982a_100102631434_100000761209 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|0,1,0]=2 99 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|1,0,0]=2 102 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|1,1,1]=4 103 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,0,0,0,0,0|1,1,0]=3 111 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,0,0,0,0,0|1,1,0]=3 112 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,0,0,0,0,0|1,1,0]=3 113 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,0,0,0,0,0|1,1,0]=3 126 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,0,0,0,0,0|1,1,0]=3 127 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,0,0,0,0,0|1,1,0]=3 128 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [1,0,0,0,0,0|2,1,0]=4 129 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [1,0,0,0,0,0|2,1,0]=4 130 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,0,0,0,0,0|1,1,0]=3 134 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,0,0,0,0,0|1,1,0]=3 140 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,0,0,0,0,0|1,1,0]=3 141 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [1,0,0,0,0,0|3,0,0]=4 142 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [1,0,0,0,0,0|2,1,0]=4 144 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [1,0,0,0,0,0|2,1,0]=4 145 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [1,0,0,0,0,0|2,1,0]=4 148 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [1,0,0,0,0,0|2,1,0]=4 149 B8R0.24 C#CC(=O)C[Si](C)(C)C 1458a_100000211873_100000233785 [0,1,0,0,0,0|1,1,1]=4 150 B8R0.24 C=CC(=O)C[Si](C)(C)C 1458a_100000185746_100000233785 [0,1,0,0,0,0|1,1,1]=4 151 B8R0.24 C=CC(=O)NC(C)(C)C 1626a_100000715429_100000185746 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.24 C=CC(=O)NC(C)(C)C 240690a_100000715429_200121576911 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,1,0,0,0,0|1,0,0]=2 154 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,1,0,0,0,0|2,0,0]=3 156 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,1,0,0,0,0|0,1,0]=2 157 B8R0.24 CC(CC(C)(C)C)O[13CH3] 7a_200011218616_200025704644 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,1,0,0,0,0|0,1,0]=2 160 B8R0.24 CCC(=O)CC(F)(F)F 1458a_100000245130_100000210202 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [0,1,0,0,0,0|2,1,0]=4 162 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,1,0,0,0,0|1,1,0]=3 164 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,1,0,0,0,0|1,1,0]=3 165 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,1,0,0,0,0|2,0,0]=3 168 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000732750_200000210301 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000742839_100000210202 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000732750_200000210301 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000742839_100000204670 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755687_200000210301 [0,1,0,0,0,0|2,1,0]=4 174 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755907_100000210202 [0,1,0,0,0,0|2,1,0]=4 175 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755687_200000210301 [0,1,0,0,0,0|2,1,0]=4 176 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755907_100000204670 [0,1,0,0,0,0|2,1,0]=4 177 B8R0.24 CCN([13CH3])CC(C)(C)C 2230a_100000732750_200025704644 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.24 CCN([13CH3])CC(C)(C)C 269982a_100000732750_200025704644 [0,1,0,0,0,0|3,0,0]=4 179 B8R0.24 CCN([13CH3])CC(C)(C)O 2230a_100000755687_200025704644 [0,1,0,0,0,0|2,1,0]=4 180 B8R0.24 CCN([13CH3])CC(C)(C)O 269982a_100000755687_200025704644 [0,1,0,0,0,0|2,1,0]=4 181 B8R0.24 CN(CF)CC(C)(C)C 269982a_100000742839_100015361967 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.24 CN(CF)CC(C)(C)O 269982a_100000755907_100015361967 [0,1,0,0,0,0|2,1,0]=4 183 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,1,0,0,0,0|1,0,0]=2 184 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,1,0,0,0,0|1,0,0]=2 185 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,1,0,0,0,0|1,0,0]=2 186 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,1,0,0,0,0|1,0,0]=2 187 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,1,0,0,0,0|0,1,0]=2 188 B8R0.24 CNC(=O)CC(F)(F)F 11a_106832991635_100000245130 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.24 CNC(=O)CC(F)(F)F 1626a_100102657272_100000245130 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.24 CNC(=O)CC(F)(F)F 527a_100102657272_100000245130 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.24 CNC(=O)CS(=O)(=O)C 11a_106832991635_100000744497 [0,1,0,0,0,0|2,1,0]=4 192 B8R0.24 CNC(=O)CS(=O)(=O)C 240690a_100102657272_100000744497 [0,1,0,0,0,0|2,1,0]=4 193 B8R0.24 CNC(=O)CS(=O)(=O)C 527a_100102657272_100000744497 [0,1,0,0,0,0|2,1,0]=4 194 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [0,1,0,0,0,0|1,1,0]=3 199 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [0,1,0,0,0,0|1,1,0]=3 200 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,1,0,0,0,0|2,0,0]=3 202 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,1,0,0,0,0|2,0,0]=3 203 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,1,0,0,0,0|2,0,0]=3 204 B8R0.24 CN[C@@H](C)CC(C)(C)C 2230a_106358413534_200000210301 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.24 COC(C)CC(C)(C)C 7a_200011218616_200000210301 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.24 CS(=O)(=O)CC(=O)CF 1458a_100000744497_100015361967 [0,1,0,0,0,0|2,1,0]=4 207 B8R0.24 C[C@@H](CC(C)(C)C)N[13CH3] 2230a_106358413534_200025704644 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.24 C[N+](C)(C)CC(=O)CF 1458a_100000033712_100015361967 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.24 C[Si](C)(C)CC(=O)CF 1458a_100011218504_100015361967 [0,1,0,0,0,0|1,1,0]=3 210 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [0,1,0,0,0,0|1,1,0]=3 211 B8R0.24 O=C(CF)CC(F)(F)F 1458a_100000245130_100015361967 [0,1,0,0,0,0|3,0,0]=4 212 B8R0.27 CC(=O)C(C)C(F)(F)F 1458a_100000137572_200000210301 [0,1,0,0,0,0|3,0,0]=4 213 B8R0.27 CC(=O)C(F)C(F)(F)F 1458a_100000038942_200000210301 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.27 CC(=O)C(O)C(F)(F)F 1458a_100011204880_200000210301 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,1,0,0,0,0|1,0,0]=2 219 B8R0.27 CC(C(=O)[13CH3])C(F)(F)F 1458a_100000137572_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,1,0,0,0,0|1,0,0]=2 221 B8R0.27 CC(N(C)C)C(C)(C)C 2230a_100000745498_200000210301 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.27 CC(N(C)C)C(C)(C)C 269982a_100000745498_200000210301 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.27 CC(N(C)[13CH3])C(C)(C)C 2230a_100000745498_200025704644 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.27 CC(N(C)[13CH3])C(C)(C)C 269982a_100000745498_200025704644 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.27 [13CH3]C(=O)C(F)C(F)(F)F 1458a_100000038942_200025704644 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.27 [13CH3]C(=O)C(O)C(F)(F)F 1458a_100011204880_200025704644 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.33 CC(C)(C)NS(=O)(=O)C 40a_100000715429_100000738038 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.34 C#CC(C)(C)NC(=O)C 11a_100000054563_100015343762 [0,1,0,0,0,0|2,0,0]=3 229 B8R0.34 C#CC(C)(C)NC(=O)C 1626a_100000054563_100015343762 [0,1,0,0,0,0|2,0,0]=3 230 B8R0.34 C#CC(C)(C)NC(=O)C 240690a_100000054563_100015343762 [0,1,0,0,0,0|2,0,0]=3 231 B8R0.34 C=C[Si](C)(C)CC(=O)C 1458a_100000070787_100000038793 [0,1,0,0,0,0|1,1,0]=3 232 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,0,0|0,1,0]=2 233 B8R0.34 CC(=O)NC(C)(C)C#N 11a_100000761509_100015343762 [0,1,0,0,0,0|2,0,0]=3 234 B8R0.34 CC(=O)NC(C)(C)C#N 1626a_100000761509_100015343762 [0,1,0,0,0,0|2,0,0]=3 235 B8R0.34 CC(=O)NC(C)(C)C#N 527a_100000761509_100103153847 [0,1,0,0,0,0|2,0,0]=3 236 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,0,0,0,0|1,1,0]=3 237 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,0,0,0,0|1,1,0]=3 238 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.34 CC(C)CC(C)(C)N[13CH3] 2230a_100011346068_200025704644 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,0,0|1,0,0]=2 242 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,0,0|1,0,0]=2 243 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,0,0,0,0|2,0,0]=3 244 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,0,0,0,0|2,0,0]=3 245 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,0,0,0,0|2,0,0]=3 246 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,0,0|0,1,0]=2 248 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,0,0|0,1,0]=2 249 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [0,1,0,0,0,0|2,1,0]=4 250 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [0,1,0,0,0,0|2,1,0]=4 251 B8R0.34 CN(C)CC(C)(C)CO 2230a_100000732702_200000210301 [0,1,0,0,0,0|2,1,0]=4 252 B8R0.34 CN(C)CC(C)(C)CO 269982a_100000732702_200000210301 [0,1,0,0,0,0|2,1,0]=4 253 B8R0.34 CN(C)CC(C)(C)N[13CH3] 2230a_100015183317_200025704644 [0,1,0,0,0,0|3,0,0]=4 254 B8R0.34 CN([13CH3])CC(C)(C)CO 2230a_100000732702_200025704644 [0,1,0,0,0,0|2,1,0]=4 255 B8R0.34 CN([13CH3])CC(C)(C)CO 269982a_100000732702_200025704644 [0,1,0,0,0,0|2,1,0]=4 256 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,0,0|2,0,0]=3 258 B8R0.34 CNC(C)(C)CC(C)C 2230a_100011346068_200000210301 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.34 CNC(C)(C)CN(C)C 2230a_100015183317_200000210301 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,0,0|0,1,0]=2 261 B8R0.34 COC(C)(C)CN(C)C 269982a_100102631434_100000701081 [0,1,0,0,0,0|2,1,0]=4 262 B8R0.34 CSC(C)(C)CN(C)C 270004a_100102631434_100009845794 [0,1,0,0,0,0|2,0,0]=3 263 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,0,0|1,0,0]=2 264 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,0,0|0,1,0]=2 265 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,0,0|1,0,0]=2 270 B8R1.42 CN(C)CC1(CO1)C 269982a_100102631434_100000760498 [0,0,0,1,0,0|2,1,0]=4 271 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,0,0,1,0,0|2,1,0]=4 274 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,0,0,1,0,0|2,1,0]=4 275 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,0,0,1,0,0|2,1,0]=4 278 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,0,0,1,0,0|2,1,0]=4 279 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|1,0,0]=2 281 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|1,0,0]=2 282 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,0,0,1,0,0|2,0,0]=3 283 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,0,0,0,1,0|1,0,0]=2 284 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,0,0,0,1,0|1,0,0]=2 285 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,0,0,0,1,0|0,1,0]=2 286 B6R0.7 CC(=O)C(F)(F)F 1458a_100000070787_200000243211 [0,0,0,0,1,0|3,0,0]=4 287 B6R0.7 CC(=O)C(F)(F)F 1458a_100015355933_200000210301 [0,0,0,0,1,0|3,0,0]=4 288 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,0,0,0,1,0|1,0,0]=2 289 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,0,0,0,1,0|1,0,0]=2 290 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,0,0,0,1,0|0,1,0]=2 291 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,0,0,0,1,0|3,0,0]=4 292 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,0,0,0,1,0|3,0,0]=4 293 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,0,0,0,1,0|3,0,0]=4 294 B6R0.7 [13CH3]C(=O)C(F)(F)F 1458a_100015355933_200025704644 [0,0,0,0,1,0|3,0,0]=4 295 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,0,0,0,0,1|2,0,0]=3 296 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,0,0,0,0,1|2,0,0]=3 297 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,0,0,0,0,1|2,0,0]=3 298 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,0,0,0,0,1|2,0,0]=3 299 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,0,0,0,0,1|2,0,0]=3 300 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,0,0,0,0,1|2,0,0]=3 301 B8R0.29 C=C(F)CNC(C)(C)C 2230a_100000715429_100009893438 [0,0,0,0,0,1|2,0,1]=4 302 B8R0.29 C=C(F)COC(C)(C)C 34a_100015890283_100009893438 [0,0,0,0,0,1|2,0,1]=4 303 B8R0.29 C=C(F)COC(C)(C)C 34a_200010262243_100000210625 [0,0,0,0,0,1|2,0,1]=4 304 B8R0.29 C=C(F)COC(C)(C)C 7a_100015890283_100000042424 [0,0,0,0,0,1|2,0,1]=4 305 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000042424_100000211941 [0,0,0,0,0,1|2,0,1]=4 306 B8R0.29 C=C(F)CSC(C)(C)C 62a_100000211941_100000042424 [0,0,0,0,0,1|2,0,1]=4 307 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,0,0,0,0,1|1,0,1]=3 308 B8R0.29 CC(=O)C#C[Si](C)(C)C 1458a_100000039808_200000210301 [0,0,0,0,0,1|1,1,1]=4 309 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,0,0,0,0,1|1,0,0]=2 310 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,0,0,0,0,1|1,0,0]=2 311 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,0,0,0,0,1|2,0,0]=3 312 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000070787_100011219754 [0,0,0,0,0,1|3,0,0]=4 313 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000755318_200000210301 [0,0,0,0,0,1|3,0,0]=4 314 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [0,0,0,0,0,1|2,1,0]=4 315 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [0,0,0,0,0,1|2,1,0]=4 316 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,0,0,0,0,1|2,0,0]=3 317 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,0,0,0,0,1|1,1,0]=3 318 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,0,0,0,0,1|1,1,0]=3 319 B8R0.29 CC(=O)CNS(=O)(=O)C 1458a_100000737300_200000210301 [0,0,0,0,0,1|2,1,0]=4 320 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,0,0,0,0,1|1,0,0]=2 321 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,0,0,0,0,1|1,0,0]=2 322 B8R0.29 CC(=O)COC(F)(F)F 34a_100000211253_200103152311 [0,0,0,0,0,1|3,0,0]=4 323 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,0,0,0,0,1|1,0,0]=2 324 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,0,0,0,0,1|1,0,0]=2 325 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,0,0,0,0,1|1,0,0]=2 326 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,0,0,0,0,1|1,0,0]=2 327 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,0,0,0,0,1|1,0,0]=2 328 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,0,0,0,0,1|1,0,0]=2 329 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,0,0,0,0,1|1,0,0]=2 330 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,0,0,0,0,1|1,0,0]=2 331 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,0,0,0,0,1|0,1,0]=2 332 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,0,0,0,0,1|0,1,0]=2 333 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,0,0,0,0,1|0,1,0]=2 334 B8R0.29 CC(=O)NCC(C)(F)F 11a_100000731000_100015343762 [0,0,0,0,0,1|2,0,0]=3 335 B8R0.29 CC(=O)NCC(C)(F)F 1626a_100000731000_100015343762 [0,0,0,0,0,1|2,0,0]=3 336 B8R0.29 CC(=O)NCC(C)(F)F 240690a_100000731000_100015343762 [0,0,0,0,0,1|2,0,0]=3 337 B8R0.29 CC(=O)NCC(C)(F)F 527a_100000731000_100103153847 [0,0,0,0,0,1|2,0,0]=3 338 B8R0.29 CC(=O)NCC(F)(F)F 11a_100000717047_100015343762 [0,0,0,0,0,1|3,0,0]=4 339 B8R0.29 CC(=O)NCC(F)(F)F 1626a_100000717047_100015343762 [0,0,0,0,0,1|3,0,0]=4 340 B8R0.29 CC(=O)NCC(F)(F)F 240690a_100000717047_100015343762 [0,0,0,0,0,1|3,0,0]=4 341 B8R0.29 CC(=O)NCC(F)(F)F 527a_100000717047_100103153847 [0,0,0,0,0,1|3,0,0]=4 342 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,0,0,0,0,1|1,1,0]=3 343 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,0,0,0,0,1|1,1,0]=3 344 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,0,0,0,0,1|1,1,0]=3 345 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,0,0,0,0,1|1,1,0]=3 346 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,0,0,0,0,1|2,0,0]=3 347 B8R0.29 CC(Br)COC(C)(C)C 34a_100012180447_100000210625 [0,0,0,0,0,1|2,0,1]=4 348 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,0,0,0,0,1|1,0,1]=3 349 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,0,0,0,0,1|1,0,0]=2 350 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,0,0,0,0,1|2,0,0]=3 351 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,0,0,0,0,1|2,0,0]=3 352 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,0,0,0,0,1|2,0,0]=3 353 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,0,0,0,0,1|2,0,0]=3 354 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,0,0,0,0,1|1,0,0]=2 355 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,0,0,0,0,1|2,0,0]=3 356 B8R0.29 CC(C)(C)OC[N+](=O)[O-] 34a_100015890283_100000761209 [0,0,0,0,0,1|3,0,0]=4 357 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,0,0,0,0,1|2,0,0]=3 358 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,0,0,0,0,1|2,0,0]=3 359 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,0,0,0,0,1|2,0,0]=3 360 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,0,0,0,0,1|2,0,0]=3 361 B8R0.29 CC(C)(C)SC[N+](=O)[O-] 62a_100000211941_100000761209 [0,0,0,0,0,1|3,0,0]=4 362 B8R0.29 CC(C)CNC(C)(C)C 2230a_100000715429_100000210760 [0,0,0,0,0,1|2,0,1]=4 363 B8R0.29 CC(C)CNC(C)(C)C 34a_100000210953_100000210625 [0,0,0,0,0,1|2,0,1]=4 364 B8R0.29 CC(C)COC(C)(C)C 34a_100000210257_100000210625 [0,0,0,0,0,1|2,0,1]=4 365 B8R0.29 CC(C)COC(C)(C)C 34a_100015890283_100000210624 [0,0,0,0,0,1|2,0,1]=4 366 B8R0.29 CC(C)COC(C)(C)C 7a_100015890283_100000210760 [0,0,0,0,0,1|2,0,1]=4 367 B8R0.29 CC(C)CSC(C)(C)C 62a_100000210624_100000211941 [0,0,0,0,0,1|2,0,1]=4 368 B8R0.29 CC(C)CSC(C)(C)C 62a_100000211941_100000210760 [0,0,0,0,0,1|2,0,1]=4 369 B8R0.29 CC(C)NCC(C)(C)C 2230a_100000743828_100000210206 [0,0,0,0,0,1|2,0,1]=4 370 B8R0.29 CC(C)NCC(C)(C)C 34a_100138425928_100011219605 [0,0,0,0,0,1|2,0,1]=4 371 B8R0.29 CC(C)NCC(C)(C)F 2230a_100020643315_100000210206 [0,0,0,0,0,1|2,0,1]=4 372 B8R0.29 CC(C)NCC(C)(C)F 34a_100138425928_100011997219 [0,0,0,0,0,1|2,0,1]=4 373 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [0,0,0,0,0,1|1,1,1]=4 374 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [0,0,0,0,0,1|1,1,1]=4 375 B8R0.29 CC(C)OCC(C)(C)C 34a_100000212225_100011219605 [0,0,0,0,0,1|2,0,1]=4 376 B8R0.29 CC(C)OCC(C)(C)F 34a_100000212225_100011997219 [0,0,0,0,0,1|2,0,1]=4 377 B8R0.29 CC(C)OCC(C)(C)F 34a_100000716592_100000210206 [0,0,0,0,0,1|2,0,1]=4 378 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,0,0,0,0,1|1,1,1]=4 379 B8R0.29 CC(C)SCC(C)(C)C 62a_100000210206_100011219605 [0,0,0,0,0,1|2,0,1]=4 380 B8R0.29 CC(C)SCC(C)(C)C 62a_100011219605_100000210206 [0,0,0,0,0,1|2,0,1]=4 381 B8R0.29 CC(C)SCC(C)(C)F 62a_100000210206_100011997219 [0,0,0,0,0,1|2,0,1]=4 382 B8R0.29 CC(C)SCC(C)(C)F 62a_100011997219_100000210206 [0,0,0,0,0,1|2,0,1]=4 383 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,0,0,0,0,1|1,1,1]=4 384 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,0,0,0,0,1|1,1,1]=4 385 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,0,0,0,0,1|2,0,0]=3 386 B8R0.29 CC(F)COC(C)(C)C 34a_100015925927_100000210625 [0,0,0,0,0,1|2,0,1]=4 387 B8R0.29 CC(O)CNC(C)(C)C 2230a_100000715429_100011218427 [0,0,0,0,0,1|1,0,2]=4 388 B8R0.29 CC(O)CNC(C)(C)C 34a_100000210904_100000210625 [0,0,0,0,0,1|1,0,2]=4 389 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,0,0,0,0,1|1,0,2]=4 390 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,0,0,0,0,1|1,0,2]=4 391 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,0,0,0,0,1|1,0,2]=4 392 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,0,0,0,0,1|1,0,2]=4 393 B8R0.29 CN(C)CCC(C)(C)C 2230a_100102631434_100000755188 [0,0,0,0,0,1|3,0,0]=4 394 B8R0.29 CN(C)CCC(C)(C)C 269982a_100102631434_100000755188 [0,0,0,0,0,1|3,0,0]=4 395 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,0,0,0,0,1|2,1,0]=4 396 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [0,0,0,0,0,1|2,1,0]=4 397 B8R0.29 CS(=O)(=O)NCC(=O)[13CH3] 1458a_100000737300_200025704644 [0,0,0,0,0,1|2,1,0]=4 398 B8R0.29 C[C@@H](Cl)COC(C)(C)C 34a_100016084084_100000210625 [0,0,0,0,0,1|2,0,1]=4 399 B8R0.29 C[C@@H](N)COC(C)(C)C 34a_100000737577_100000210625 [0,0,0,0,0,1|2,0,1]=4 400 B8R0.29 C[C@@H](O)CNC(C)(C)C 2230a_100000715429_100009817552 [0,0,0,0,0,1|1,0,2]=4 401 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,0,0,0,0,1|1,0,2]=4 402 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,0,0,0,0,1|1,0,2]=4 403 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,0,0,0,0,1|1,0,2]=4 404 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,0,0,0,0,1|1,0,2]=4 405 B8R0.29 C[Si](C)(C)C#CC(=O)[13CH3] 1458a_100000039808_200025704644 [0,0,0,0,0,1|1,1,1]=4 406 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,0,0,0,0,1|1,1,0]=3 407 B8R0.29 [13CH3]C(=O)CCC(F)(F)F 1458a_100000755318_200025704644 [0,0,0,0,0,1|3,0,0]=4 408 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 409 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 410 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 411 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 422 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 423 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 424 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 425 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 426 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 427 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 428 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 429 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 431 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 432 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 433 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 435 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|0,1,0]=3 436 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|0,1,0]=3 437 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,0]=3 438 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 439 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|1,0,0]=3 440 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|1,0,0]=3 441 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,0,0]=3 442 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,0]=3 443 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,0]=3 444 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|2,0,0]=4 445 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|1,1,0]=4 446 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|1,1,0]=4 447 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|1,1,0]=4 448 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|1,1,0]=4 449 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,2]=4 450 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,2]=4 451 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,0]=2 452 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,0]=2 453 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,0]=2 454 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 456 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 457 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 458 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 461 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 462 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 463 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,1]=4 464 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 465 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 466 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 467 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 468 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,0,1]=4 469 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,0,1]=4 470 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 471 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 472 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 473 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 474 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 475 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 476 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|2,0,0]=4 477 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|2,0,0]=4 478 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|1,0,0]=3 479 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|1,0,0]=3 480 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|1,0,0]=3 481 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|1,0,0]=3 482 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|1,0,0]=3 483 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|1,0,0]=3 484 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|1,1,0]=4 485 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|1,1,0]=4 486 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|1,1,0]=4 487 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|1,1,0]=4 488 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|1,1,0]=4 489 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|1,1,0]=4 490 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|1,1,0]=4 491 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|1,1,0]=4 492 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 493 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,0]=3 494 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,0]=3 495 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 496 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,0]=3 497 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|2,0,0]=4 498 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 499 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,0,0]=3 500 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,0,0]=3 501 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|2,0,0]=4 502 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|1,1,0]=4 503 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 504 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 505 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 506 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 507 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|1,1,0]=4 508 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,0]=3 509 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 510 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 511 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,0]=3 512 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|2,0,0]=4 513 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|2,0,0]=4 514 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,0]=3 515 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,0]=3 516 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|1,1,0]=4 517 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|1,1,0]=4 518 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 519 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 520 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|1,1,0]=4 521 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|1,1,0]=4 522 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 523 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 524 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|1,1,0]=4 525 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|1,1,0]=4 526 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 527 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|0,1,0]=3 528 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 529 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|2,0,0]=4 530 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 531 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 532 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|2,0,0]=4 533 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|2,0,0]=4 534 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [2,0,0,0,0,0|2,0,0]=4 535 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [2,0,0,0,0,0|2,0,0]=4 536 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [2,0,0,0,0,0|2,0,0]=4 537 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [2,0,0,0,0,0|2,0,0]=4 538 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [2,0,0,0,0,0|2,0,0]=4 539 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [2,0,0,0,0,0|2,0,0]=4 540 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [2,0,0,0,0,0|2,0,0]=4 541 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [2,0,0,0,0,0|2,0,0]=4 542 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [2,0,0,0,0,0|2,0,0]=4 543 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [2,0,0,0,0,0|2,0,0]=4 544 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [2,0,0,0,0,0|2,0,0]=4 545 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [2,0,0,0,0,0|2,0,0]=4 546 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|0,0,1]=3 547 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|0,1,1]=4 548 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [1,1,0,0,0,0|1,0,1]=4 549 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [1,1,0,0,0,0|1,0,1]=4 550 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [1,1,0,0,0,0|1,0,1]=4 552 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|0,0,2]=4 553 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|0,0,2]=4 554 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,1,0,0,0,0|2,0,0]=4 555 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,1,0,0,0,0|2,0,0]=4 557 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,1,0,0,0,0|2,0,0]=4 558 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,1,0,0,0,0|2,0,0]=4 562 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|0,0,1]=3 564 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|0,1,1]=4 565 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,1,0,0,0,0|0,0,1]=3 568 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,1,0,0,0,0|0,0,1]=3 569 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [1,1,0,0,0,0|0,0,2]=4 570 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|0,0,0]=2 572 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [1,1,0,0,0,0|1,0,1]=4 573 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [1,1,0,0,0,0|1,0,1]=4 574 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [1,1,0,0,0,0|1,0,1]=4 575 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,1,0,0,0,0|1,0,0]=3 576 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,1,0,0,0,0|1,0,0]=3 577 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,1,0,0,0,0|1,0,0]=3 578 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|1,0,0]=3 580 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|1,0,0]=3 581 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,1,0,0,0,0|1,0,0]=3 582 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,1,0,0,0,0|1,0,0]=3 583 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|0,0,0]=2 584 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|0,0,0]=2 585 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|1,0,1]=4 586 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|0,0,2]=4 587 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|0,0,2]=4 588 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|0,1,1]=4 589 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|0,1,1]=4 590 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|1,0,0]=3 592 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|1,0,0]=3 593 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|0,1,0]=3 596 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|0,0,2]=4 597 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|0,0,2]=4 598 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|0,0,2]=4 599 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|0,1,1]=4 600 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|0,0,0]=2 601 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|0,0,0]=2 602 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,1,0]=3 603 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|1,0,0]=3 605 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,1,0]=3 607 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|1,0,0]=3 608 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 609 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 610 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 611 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,0]=3 612 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|0,0,0]=2 613 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|0,0,0]=2 614 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|0,0,0]=2 615 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 616 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 617 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 618 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 619 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,1,0,0,0,0|2,0,0]=4 620 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 623 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 624 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|1,0,0]=3 625 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|1,0,0]=3 626 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|0,1,0]=3 627 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|0,1,0]=3 628 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|0,1,0]=3 629 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,1,0,0,0,0|1,0,0]=3 630 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,1,0,0,0,0|2,0,0]=4 631 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,1,0,0,0,0|2,0,0]=4 632 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,1,0,0,0,0|1,0,0]=3 636 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 642 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|2,0,0]=4 643 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 645 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 646 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|0,0,0]=2 647 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 648 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 649 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [1,1,0,0,0,0|1,0,0]=3 650 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|2,0,0]=4 651 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [1,1,0,0,0,0|2,0,0]=4 652 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [1,1,0,0,0,0|0,0,2]=4 653 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [1,1,0,0,0,0|0,0,2]=4 654 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [1,1,0,0,0,0|0,0,2]=4 655 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|0,1,1]=4 656 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|0,0,0]=2 657 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|0,0,0]=2 658 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|0,0,0]=2 659 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|0,0,0]=2 660 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|1,0,0]=3 661 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|1,0,0]=3 662 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|1,0,0]=3 663 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|1,0,0]=3 664 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|1,0,0]=3 665 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|1,0,0]=3 666 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|1,0,0]=3 667 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|0,1,0]=3 668 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|1,0,0]=3 669 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|1,0,0]=3 670 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|1,0,0]=3 671 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|1,0,0]=3 672 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|1,0,0]=3 673 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|1,0,0]=3 674 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|1,0,0]=3 675 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|1,0,0]=3 676 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|1,0,0]=3 677 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|1,0,1]=4 678 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|1,0,1]=4 679 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|1,0,1]=4 680 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|1,0,1]=4 681 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|0,1,1]=4 682 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|0,1,1]=4 683 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|0,1,1]=4 684 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|1,0,0]=3 685 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 686 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|1,0,0]=3 687 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|1,0,0]=3 688 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,1,0,0,0,0|1,0,1]=4 689 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|0,0,2]=4 690 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|0,0,2]=4 691 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|0,0,2]=4 692 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|0,1,1]=4 693 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|0,1,1]=4 694 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [1,1,0,0,0,0|2,0,0]=4 695 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [1,1,0,0,0,0|2,0,0]=4 696 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,1,0,0,0,0|1,0,0]=3 697 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,1,0,0,0,0|1,0,0]=3 698 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [1,1,0,0,0,0|2,0,0]=4 699 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|0,1,0]=3 701 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [1,1,0,0,0,0|1,0,0]=3 702 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [1,1,0,0,0,0|2,0,0]=4 704 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [1,1,0,0,0,0|1,0,1]=4 705 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [1,1,0,0,0,0|1,0,1]=4 706 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [1,1,0,0,0,0|0,1,1]=4 707 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|0,0,0]=2 708 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,1,0,0,0,0|1,0,0]=3 709 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,1,0,0,0,0|1,0,0]=3 710 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,1,0,0,0,0|1,0,0]=3 711 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,1,0,0,0,0|1,0,0]=3 712 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,1,0,0,0,0|1,0,0]=3 713 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,1,0,0,0,0|1,0,0]=3 714 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,1,0,0,0,0|1,0,0]=3 715 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|0,0,0]=2 716 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,1,0,0,0,0|2,0,0]=4 717 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,1,0,0,0,0|2,0,0]=4 718 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|2,0,0]=4 719 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|2,0,0]=4 720 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|0,0,0]=2 721 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [1,1,0,0,0,0|2,0,0]=4 722 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [1,1,0,0,0,0|2,0,0]=4 725 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|0,0,0]=2 726 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [1,1,0,0,0,0|1,0,1]=4 727 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [1,1,0,0,0,0|2,0,0]=4 728 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [1,1,0,0,0,0|2,0,0]=4 729 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,1,0,0,0,0|1,0,0]=3 730 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [1,1,0,0,0,0|1,0,1]=4 731 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [1,1,0,0,0,0|1,0,1]=4 732 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [1,1,0,0,0,0|1,0,1]=4 733 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [1,1,0,0,0,0|1,0,1]=4 734 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [1,1,0,0,0,0|1,0,1]=4 735 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [1,1,0,0,0,0|1,0,1]=4 736 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [1,1,0,0,0,0|1,0,1]=4 737 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|1,0,1]=4 738 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|1,0,1]=4 739 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|1,0,1]=4 740 B7R0.8 CC(C)(C)CSCF 62a_100011219605_100015361967 [1,1,0,0,0,0|2,0,0]=4 741 B7R0.8 CC(C)(C)CSCF 62a_100015361967_100011219605 [1,1,0,0,0,0|2,0,0]=4 742 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|1,0,0]=3 743 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|1,0,0]=3 744 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|1,0,0]=3 745 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|1,0,0]=3 746 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|1,0,0]=3 747 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [1,1,0,0,0,0|1,0,1]=4 748 B7R0.8 CC(C)(F)COCF 34a_100000716592_100015361967 [1,1,0,0,0,0|2,0,0]=4 749 B7R0.8 CC(C)(F)CSCF 62a_100011997219_100015361967 [1,1,0,0,0,0|2,0,0]=4 750 B7R0.8 CC(C)(F)CSCF 62a_100015361967_100011997219 [1,1,0,0,0,0|2,0,0]=4 751 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|0,1,1]=4 752 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|0,1,1]=4 753 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [1,1,0,0,0,0|1,1,0]=4 754 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [1,1,0,0,0,0|1,1,0]=4 755 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [1,1,0,0,0,0|2,0,0]=4 756 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [1,1,0,0,0,0|1,0,1]=4 757 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [1,1,0,0,0,0|1,0,1]=4 758 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [1,1,0,0,0,0|1,0,1]=4 759 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [1,1,0,0,0,0|1,0,1]=4 760 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [1,1,0,0,0,0|1,0,1]=4 761 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [1,1,0,0,0,0|1,0,1]=4 762 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [1,1,0,0,0,0|1,0,1]=4 763 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [1,1,0,0,0,0|1,0,1]=4 764 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [1,1,0,0,0,0|1,0,1]=4 765 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [1,1,0,0,0,0|0,1,1]=4 766 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [1,1,0,0,0,0|1,0,1]=4 767 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [1,1,0,0,0,0|1,0,1]=4 768 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [1,1,0,0,0,0|1,0,1]=4 769 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [1,1,0,0,0,0|0,1,1]=4 770 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [1,1,0,0,0,0|1,0,1]=4 771 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [1,1,0,0,0,0|1,0,1]=4 772 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [1,1,0,0,0,0|1,0,1]=4 773 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [1,1,0,0,0,0|1,0,1]=4 774 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [1,1,0,0,0,0|0,1,1]=4 775 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [1,1,0,0,0,0|0,1,1]=4 776 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [1,1,0,0,0,0|1,0,1]=4 777 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [1,1,0,0,0,0|1,0,1]=4 778 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [1,1,0,0,0,0|1,0,1]=4 779 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [1,1,0,0,0,0|1,0,1]=4 780 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [1,1,0,0,0,0|0,1,1]=4 782 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [1,1,0,0,0,0|0,1,1]=4 783 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [1,1,0,0,0,0|0,1,1]=4 784 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|1,0,1]=4 785 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|1,0,1]=4 786 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [1,1,0,0,0,0|0,1,1]=4 787 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [1,1,0,0,0,0|2,0,0]=4 788 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [1,1,0,0,0,0|2,0,0]=4 789 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [1,1,0,0,0,0|2,0,0]=4 790 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|1,0,1]=4 791 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|1,0,1]=4 792 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|0,1,1]=4 793 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|0,1,1]=4 794 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [1,1,0,0,0,0|2,0,0]=4 795 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [1,1,0,0,0,0|2,0,0]=4 796 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [1,1,0,0,0,0|2,0,0]=4 797 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [1,1,0,0,0,0|2,0,0]=4 798 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [1,1,0,0,0,0|0,1,1]=4 799 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [1,1,0,0,0,0|0,1,1]=4 800 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [1,1,0,0,0,0|2,0,0]=4 801 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [1,1,0,0,0,0|1,1,0]=4 802 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [1,1,0,0,0,0|1,1,0]=4 803 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [1,1,0,0,0,0|1,1,0]=4 804 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [1,1,0,0,0,0|2,0,0]=4 805 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [1,1,0,0,0,0|2,0,0]=4 806 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [1,1,0,0,0,0|0,1,1]=4 807 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [1,1,0,0,0,0|0,1,1]=4 808 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [1,1,0,0,0,0|2,0,0]=4 809 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [1,1,0,0,0,0|2,0,0]=4 810 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [1,1,0,0,0,0|2,0,0]=4 811 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [1,1,0,0,0,0|1,1,0]=4 812 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [1,1,0,0,0,0|1,1,0]=4 813 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [1,1,0,0,0,0|1,1,0]=4 814 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [1,1,0,0,0,0|1,1,0]=4 815 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [1,1,0,0,0,0|1,1,0]=4 816 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [1,1,0,0,0,0|1,0,0]=3 817 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [1,1,0,0,0,0|1,1,0]=4 818 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [1,1,0,0,0,0|1,1,0]=4 819 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [1,1,0,0,0,0|1,1,0]=4 820 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [1,1,0,0,0,0|1,1,0]=4 821 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [1,1,0,0,0,0|1,1,0]=4 822 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [1,1,0,0,0,0|2,0,0]=4 823 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [1,1,0,0,0,0|1,1,0]=4 824 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [1,1,0,0,0,0|2,0,0]=4 825 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [1,1,0,0,0,0|1,1,0]=4 826 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [1,1,0,0,0,0|1,1,0]=4 827 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [1,1,0,0,0,0|1,1,0]=4 828 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [1,1,0,0,0,0|2,0,0]=4 829 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [1,1,0,0,0,0|1,1,0]=4 831 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [1,1,0,0,0,0|1,1,0]=4 832 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [1,1,0,0,0,0|2,0,0]=4 833 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [1,1,0,0,0,0|2,0,0]=4 834 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [1,1,0,0,0,0|1,1,0]=4 835 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,1,0,0,1,0|1,0,0]=3 836 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,1,0,0,1,0|1,0,0]=3 837 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,1,0,0,1,0|1,0,0]=3 838 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,1,0,0,1,0|1,0,0]=3 839 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,1,0,0,1,0|1,0,0]=3 840 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,1,0,0,1,0|1,0,0]=3 841 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,1,0,0,1,0|1,0,0]=3 842 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,1,0|0,1,0]=3 843 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,1,0,0,1,0|0,1,0]=3 844 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,1,0,0,1,0|0,1,0]=3 845 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,1,0,0,1,0|0,0,0]=2 846 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,1,0,0,1,0|0,0,0]=2 847 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,1,0,0,1,0|1,0,0]=3 848 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,1,0,0,1,0|1,0,0]=3 849 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,1,0|0,1,0]=3 850 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,1,0,0,1,0|2,0,0]=4 851 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,1,0,0,1,0|2,0,0]=4 852 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,1,0,0,1,0|1,1,0]=4 853 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,1,0,0,1,0|1,1,0]=4 854 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,1,0,0,1,0|1,0,0]=3 855 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,1,0,0,1,0|1,0,0]=3 856 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200009813997_200025704644 [0,1,0,0,1,0|2,0,0]=4 857 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200025704644_200009813997 [0,1,0,0,1,0|2,0,0]=4 858 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,1,0|1,0,0]=3 859 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,1,0|1,0,0]=3 860 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,1,0|0,1,0]=3 861 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,1,0|0,1,0]=3 862 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,0,0,1,0|2,0,0]=4 863 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,0,0,1,0|2,0,0]=4 864 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_200025704644_217856628674 [0,1,0,0,1,0|2,0,0]=4 865 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_217856628674_200025704644 [0,1,0,0,1,0|2,0,0]=4 866 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,1,0,0,1,0|1,0,0]=3 867 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,1,0,0,1,0|2,0,0]=4 868 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,1,0,0,1,0|2,0,0]=4 869 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,1,0,0,1,0|2,0,0]=4 870 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,1,0,0,1,0|2,0,0]=4 871 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,1,0,0,1,0|2,0,0]=4 872 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,1,0,0,1,0|0,1,0]=3 873 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,1,0,0,1,0|0,1,0]=3 874 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,1,0,0,1,0|0,1,0]=3 875 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,1,0,0,1,0|1,1,0]=4 876 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,1,0,0,1,0|1,1,0]=4 877 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,1,0,0,1,0|1,1,0]=4 878 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,1,0,0,1,0|0,1,0]=3 879 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,1,0,0,1,0|0,0,0]=2 880 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,1,0,0,1,0|0,0,0]=2 881 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,1,0,0,1,0|1,0,0]=3 882 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,1,0,0,1,0|1,0,0]=3 883 B7R0.13 CSC(C)(C)N(C)C 62a_200000210301_217856628674 [0,1,0,0,1,0|2,0,0]=4 884 B7R0.13 CSC(C)(C)N(C)C 62a_217856628674_200000210301 [0,1,0,0,1,0|2,0,0]=4 885 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200000210301_200009813997 [0,1,0,0,1,0|2,0,0]=4 886 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200009813997_200000210301 [0,1,0,0,1,0|2,0,0]=4 887 B9R0.10 C=C(C)CC(=O)C(C)(C)C 1458a_106744555173_100000748629 [0,1,0,0,0,1|2,0,0]=4 888 B9R0.10 C=C(C)CC(=O)C(C)(C)F 1458a_100000765255_100000748629 [0,1,0,0,0,1|2,0,0]=4 889 B9R0.10 C=C(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748629 [0,1,0,0,0,1|1,1,0]=4 890 B9R0.10 C=C(C)CN(C)C(C)(C)C 269982a_100000225649_100000210625 [0,1,0,0,0,1|2,0,0]=4 891 B9R0.10 C=C(C)CN(C)C(C)(C)C 269982a_100011215553_100000748629 [0,1,0,0,0,1|2,0,0]=4 892 B9R0.10 CC(=CC(=O)[13CH3])C(C)(C)C 1458a_100020591210_200025704644 [0,1,0,0,0,1|1,0,1]=4 893 B9R0.10 CC(=O)C=C(C)C(C)(C)C 1458a_100020591210_200000210301 [0,1,0,0,0,1|1,0,1]=4 894 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [0,1,0,0,0,1|1,0,0]=3 895 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,1,0,0,0,1|0,1,0]=3 896 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,1,0,0,0,1|0,1,0]=3 897 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,1,0,0,0,1|0,1,0]=3 898 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,1,0,0,0,1|0,1,0]=3 899 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 11a_100025703359_100015343762 [0,1,0,0,0,1|1,0,0]=3 900 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 1626a_100025703359_100015343762 [0,1,0,0,0,1|1,0,0]=3 901 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 240690a_100025703359_100015343762 [0,1,0,0,0,1|1,0,0]=3 902 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C 527a_100025703359_100103153847 [0,1,0,0,0,1|1,0,0]=3 903 B9R0.10 CC(C)(C)C(=O)CC(=O)N 1458a_106744555173_100000187820 [0,1,0,0,0,1|2,0,0]=4 904 B9R0.10 CC(C)(C)C(=O)CC(=O)[O-] 1458a_106744555173_100020667443 [0,1,0,0,0,1|2,0,0]=4 905 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,1,0,0,0,1|2,0,0]=4 906 B9R0.10 CC(C)(F)C(=O)CC(=O)N 1458a_100000765255_100000187820 [0,1,0,0,0,1|2,0,0]=4 907 B9R0.10 CC(C)(F)C(=O)CC(=O)[O-] 1458a_100000765255_100020667443 [0,1,0,0,0,1|2,0,0]=4 908 B9R0.10 CC(C)(O)C(=O)CC(=O)N 1458a_100000242741_100000187820 [0,1,0,0,0,1|1,1,0]=4 909 B9R0.10 CC(C)(O)C(=O)CC(=O)[O-] 1458a_100000242741_100020667443 [0,1,0,0,0,1|1,1,0]=4 910 B9R0.10 CN(CC(=O)N)C(C)(C)C 269982a_100011215553_100000187820 [0,1,0,0,0,1|2,0,0]=4 911 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,1,0,0,0,1|2,0,0]=4 912 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,1,0,0,0,1|2,0,0]=4 913 B9R0.10 CN(CC(=O)[O-])C(C)(C)C 269982a_100011215553_100020667443 [0,1,0,0,0,1|2,0,0]=4 914 B9R0.21 C#CC(=O)CCC(C)(C)C 1458a_100000211873_100000755188 [0,1,0,0,0,1|1,0,1]=4 915 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,1,0,0,0,1|1,0,1]=4 916 B9R0.21 C=CC(=O)NCC(C)(C)C 1626a_100000743828_100000185746 [0,1,0,0,0,1|1,0,1]=4 917 B9R0.21 C=CC(=O)NCC(C)(C)C 240690a_100000743828_200121576911 [0,1,0,0,0,1|1,0,1]=4 918 B9R0.21 C=CC(=O)NCC(C)(C)F 1626a_100020643315_100000185746 [0,1,0,0,0,1|1,0,1]=4 919 B9R0.21 C=CC(=O)NCC(C)(C)F 240690a_100020643315_200121576911 [0,1,0,0,0,1|1,0,1]=4 920 B9R0.21 C=CC(=O)NCC(C)(C)O 1626a_100000751335_100000185746 [0,1,0,0,0,1|0,1,1]=4 921 B9R0.21 C=CC(=O)NCC(C)(C)O 240690a_100000751335_200121576911 [0,1,0,0,0,1|0,1,1]=4 922 B9R0.21 CC(C)(C)C#CC(=O)CF 1458a_100011966651_100015361967 [0,1,0,0,0,1|1,0,1]=4 923 B9R0.21 CC(C)(C)CCC(=O)CF 1458a_100000757465_100015361967 [0,1,0,0,0,1|1,0,0]=3 924 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,1,0,0,0,1|1,0,0]=3 925 B9R0.21 CC(C)(C)CNC(=O)CO 240690a_100000743828_100000210174 [0,1,0,0,0,1|1,0,0]=3 926 B9R0.21 CC(C)(C)CNC(=O)CO 527a_100000743828_100000210174 [0,1,0,0,0,1|1,0,0]=3 927 B9R0.21 CC(C)(C)NNC(=O)CO 22a_100000725372_100000210174 [0,1,0,0,0,1|2,0,0]=4 928 B9R0.21 CC(C)(C)OCC(=O)CF 1458a_100000686494_100015361967 [0,1,0,0,0,1|1,0,0]=3 929 B9R0.21 CC(C)(F)CNC(=O)CO 240690a_100020643315_100000210174 [0,1,0,0,0,1|1,0,0]=3 930 B9R0.21 CC(C)(F)CNC(=O)CO 527a_100020643315_100000210174 [0,1,0,0,0,1|1,0,0]=3 931 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [0,1,0,0,0,1|0,1,0]=3 932 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [0,1,0,0,0,1|0,1,0]=3 933 B9R0.21 CC(F)(F)CCC(=O)CF 1458a_100000030992_100015361967 [0,1,0,0,0,1|2,0,0]=4 934 B9R0.21 CC(F)(F)CNC(=O)CO 240690a_100000731000_100000210174 [0,1,0,0,0,1|2,0,0]=4 935 B9R0.21 CC(F)(F)CNC(=O)CO 527a_100000731000_100000210174 [0,1,0,0,0,1|2,0,0]=4 936 B9R0.21 CCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210202 [0,1,0,0,0,1|1,0,1]=4 937 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000210414_100000755188 [0,1,0,0,0,1|1,0,0]=3 938 B9R0.21 CCC(=O)CCC(C)(C)C 1458a_100000757465_100000210202 [0,1,0,0,0,1|1,0,0]=3 939 B9R0.21 CCC(=O)CCC(C)(F)F 1458a_100000030992_100000210202 [0,1,0,0,0,1|2,0,0]=4 940 B9R0.21 CCC(=O)CC[N+](C)(C)C 1458a_100000210414_100000085578 [0,1,0,0,0,1|2,0,0]=4 941 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100000210414_200000733723 [0,1,0,0,0,1|1,1,0]=4 942 B9R0.21 CCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210202 [0,1,0,0,0,1|1,1,0]=4 943 B9R0.21 CCC(=O)COC(C)(C)C 1458a_100000686494_100000210202 [0,1,0,0,0,1|1,0,0]=3 944 B9R0.21 CCC(=O)COC(C)(C)C 34a_100000725409_100000210625 [0,1,0,0,0,1|1,0,0]=3 945 B9R0.21 CCC(=O)COC(C)(C)C 7a_100015890283_100000747405 [0,1,0,0,0,1|1,0,0]=3 946 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000211941_100000747405 [0,1,0,0,0,1|1,0,0]=3 947 B9R0.21 CCC(=O)CSC(C)(C)C 62a_100000747405_100000211941 [0,1,0,0,0,1|1,0,0]=3 948 B9R0.21 CCC(=O)NCC(C)(C)C 11a_100000743828_100000210414 [0,1,0,0,0,1|1,0,0]=3 949 B9R0.21 CCC(=O)NCC(C)(C)C 1626a_100000743828_100000210414 [0,1,0,0,0,1|1,0,0]=3 950 B9R0.21 CCC(=O)NCC(C)(C)C 240690a_100000743828_100000210414 [0,1,0,0,0,1|1,0,0]=3 951 B9R0.21 CCC(=O)NCC(C)(C)C 527a_100000743828_100000210414 [0,1,0,0,0,1|1,0,0]=3 952 B9R0.21 CCC(=O)NCC(C)(C)F 11a_100020643315_100000210414 [0,1,0,0,0,1|1,0,0]=3 953 B9R0.21 CCC(=O)NCC(C)(C)F 1626a_100020643315_100000210414 [0,1,0,0,0,1|1,0,0]=3 954 B9R0.21 CCC(=O)NCC(C)(C)F 240690a_100020643315_100000210414 [0,1,0,0,0,1|1,0,0]=3 955 B9R0.21 CCC(=O)NCC(C)(C)F 527a_100020643315_100000210414 [0,1,0,0,0,1|1,0,0]=3 956 B9R0.21 CCC(=O)NCC(C)(C)O 1626a_100000751335_100000210414 [0,1,0,0,0,1|0,1,0]=3 957 B9R0.21 CCC(=O)NCC(C)(C)O 240690a_100000751335_100000210414 [0,1,0,0,0,1|0,1,0]=3 958 B9R0.21 CCC(=O)NCC(C)(C)O 527a_100000751335_100000210414 [0,1,0,0,0,1|0,1,0]=3 959 B9R0.21 CCC(=O)NCC(C)(F)F 11a_100000731000_100000210414 [0,1,0,0,0,1|2,0,0]=4 960 B9R0.21 CCC(=O)NCC(C)(F)F 1626a_100000731000_100000210414 [0,1,0,0,0,1|2,0,0]=4 961 B9R0.21 CCC(=O)NCC(C)(F)F 240690a_100000731000_100000210414 [0,1,0,0,0,1|2,0,0]=4 962 B9R0.21 CCC(=O)NCC(C)(F)F 527a_100000731000_100000210414 [0,1,0,0,0,1|2,0,0]=4 963 B9R0.21 CCC(=O)NC[Si](C)(C)C 11a_102516607284_100000210414 [0,1,0,0,0,1|1,1,0]=4 964 B9R0.21 CCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210414 [0,1,0,0,0,1|1,1,0]=4 965 B9R0.21 CCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210414 [0,1,0,0,0,1|1,1,0]=4 966 B9R0.21 CCC(=O)NC[Si](C)(C)C 527a_102516607284_100000210414 [0,1,0,0,0,1|1,1,0]=4 967 B9R0.21 CCC(=O)NNC(C)(C)C 22a_100000725372_100000210414 [0,1,0,0,0,1|2,0,0]=4 968 B9R0.21 CNC(=O)C#CC(C)(C)C 240690a_100102657272_100011966651 [0,1,0,0,0,1|1,0,1]=4 969 B9R0.21 CNC(=O)CCC(C)(C)C 11a_106832991635_100000757465 [0,1,0,0,0,1|1,0,0]=3 970 B9R0.21 CNC(=O)CCC(C)(C)C 1626a_100102657272_100000757465 [0,1,0,0,0,1|1,0,0]=3 971 B9R0.21 CNC(=O)CCC(C)(C)C 240690a_100102657272_100000757465 [0,1,0,0,0,1|1,0,0]=3 972 B9R0.21 CNC(=O)CCC(C)(C)C 527a_100102657272_100000757465 [0,1,0,0,0,1|1,0,0]=3 973 B9R0.21 CNC(=O)CCC(C)(F)F 11a_106832991635_100000030992 [0,1,0,0,0,1|2,0,0]=4 974 B9R0.21 CNC(=O)CCC(C)(F)F 1626a_100102657272_100000030992 [0,1,0,0,0,1|2,0,0]=4 975 B9R0.21 CNC(=O)CCC(C)(F)F 240690a_100102657272_100000030992 [0,1,0,0,0,1|2,0,0]=4 976 B9R0.21 CNC(=O)CCC(C)(F)F 527a_100102657272_100000030992 [0,1,0,0,0,1|2,0,0]=4 977 B9R0.21 CNC(=O)CC[Si](C)(C)C 1626a_100102657272_100011215282 [0,1,0,0,0,1|1,1,0]=4 978 B9R0.21 CNC(=O)CC[Si](C)(C)C 240690a_100102657272_100011215282 [0,1,0,0,0,1|1,1,0]=4 979 B9R0.21 CNC(=O)CC[Si](C)(C)C 527a_100102657272_100011215282 [0,1,0,0,0,1|1,1,0]=4 980 B9R0.21 CNC(=O)CNC(C)(C)C 2230a_100000715429_100000183359 [0,1,0,0,0,1|1,0,0]=3 981 B9R0.21 CNC(=O)COC(C)(C)C 11a_106832991635_100000686494 [0,1,0,0,0,1|1,0,0]=3 982 B9R0.21 CNC(=O)COC(C)(C)C 1626a_100102657272_100000686494 [0,1,0,0,0,1|1,0,0]=3 983 B9R0.21 CNC(=O)COC(C)(C)C 240690a_100102657272_100000686494 [0,1,0,0,0,1|1,0,0]=3 984 B9R0.21 CNC(=O)COC(C)(C)C 34a_100000750040_100000210625 [0,1,0,0,0,1|1,0,0]=3 985 B9R0.21 CNC(=O)COC(C)(C)C 34a_100015890283_100000183359 [0,1,0,0,0,1|1,0,0]=3 986 B9R0.21 CNC(=O)COC(C)(C)C 527a_100102657272_100000686494 [0,1,0,0,0,1|1,0,0]=3 987 B9R0.21 CNC(=O)COC(C)(C)C 7a_100015890283_100000183359 [0,1,0,0,0,1|1,0,0]=3 988 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000183359_100000211941 [0,1,0,0,0,1|1,0,0]=3 989 B9R0.21 CNC(=O)CSC(C)(C)C 62a_100000211941_100000183359 [0,1,0,0,0,1|1,0,0]=3 990 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100000743828_106832991635 [0,1,0,0,0,1|1,0,0]=3 991 B9R0.21 CNC(=O)NCC(C)(C)C 2708a_100102657272_100000743828 [0,1,0,0,0,1|1,0,0]=3 992 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100000743828_100102657272 [0,1,0,0,0,1|1,0,0]=3 993 B9R0.21 CNC(=O)NCC(C)(C)C 273464a_100102657272_100000743828 [0,1,0,0,0,1|1,0,0]=3 994 B9R0.21 CNC(=O)NCC(C)(C)C 512a_100000743828_100102657272 [0,1,0,0,0,1|1,0,0]=3 995 B9R0.21 CNC(=O)NCC(C)(C)C 512a_106832991638_100000743828 [0,1,0,0,0,1|1,0,0]=3 996 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100020643315_106832991635 [0,1,0,0,0,1|1,0,0]=3 997 B9R0.21 CNC(=O)NCC(C)(C)F 2708a_100102657272_100020643315 [0,1,0,0,0,1|1,0,0]=3 998 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100020643315_100102657272 [0,1,0,0,0,1|1,0,0]=3 999 B9R0.21 CNC(=O)NCC(C)(C)F 273464a_100102657272_100020643315 [0,1,0,0,0,1|1,0,0]=3 1000 B9R0.21 CNC(=O)NCC(C)(C)F 512a_100020643315_100102657272 [0,1,0,0,0,1|1,0,0]=3 1001 B9R0.21 CNC(=O)NCC(C)(C)F 512a_106832991638_100020643315 [0,1,0,0,0,1|1,0,0]=3 1002 B9R0.21 CNC(=O)NCC(C)(C)O 2708a_100102657272_100000751335 [0,1,0,0,0,1|0,1,0]=3 1003 B9R0.21 CNC(=O)NCC(C)(C)O 273464a_100102657272_100000751335 [0,1,0,0,0,1|0,1,0]=3 1004 B9R0.21 CNC(=O)NCC(C)(C)O 512a_100000751335_100102657272 [0,1,0,0,0,1|0,1,0]=3 1005 B9R0.21 CNC(=O)NCC(C)(C)O 512a_106832991638_100000751335 [0,1,0,0,0,1|0,1,0]=3 1006 B9R0.21 CNC(=O)NCC(C)(F)F 2708a_100102657272_100000731000 [0,1,0,0,0,1|2,0,0]=4 1007 B9R0.21 CNC(=O)NCC(C)(F)F 273464a_100000731000_100102657272 [0,1,0,0,0,1|2,0,0]=4 1008 B9R0.21 CNC(=O)NCC(C)(F)F 273464a_100102657272_100000731000 [0,1,0,0,0,1|2,0,0]=4 1009 B9R0.21 CNC(=O)NCC(C)(F)F 512a_100000731000_100102657272 [0,1,0,0,0,1|2,0,0]=4 1010 B9R0.21 CNC(=O)NCC(C)(F)F 512a_106832991638_100000731000 [0,1,0,0,0,1|2,0,0]=4 1011 B9R0.21 CNC(=O)NC[Si](C)(C)C 2708a_100102657272_102516607284 [0,1,0,0,0,1|1,1,0]=4 1012 B9R0.21 CNC(=O)NC[Si](C)(C)C 2708a_102516607284_106832991635 [0,1,0,0,0,1|1,1,0]=4 1013 B9R0.21 CNC(=O)NC[Si](C)(C)C 273464a_100102657272_102516607284 [0,1,0,0,0,1|1,1,0]=4 1014 B9R0.21 CNC(=O)NC[Si](C)(C)C 273464a_102516607284_100102657272 [0,1,0,0,0,1|1,1,0]=4 1015 B9R0.21 CNC(=O)NC[Si](C)(C)C 512a_102516607284_100102657272 [0,1,0,0,0,1|1,1,0]=4 1016 B9R0.21 CNC(=O)NC[Si](C)(C)C 512a_106832991638_102516607284 [0,1,0,0,0,1|1,1,0]=4 1017 B9R0.21 CNC(=O)NNC(C)(C)C 273464a_100102657272_100000725372 [0,1,0,0,0,1|2,0,0]=4 1018 B9R0.21 CNC(=O)NNC(C)(C)C 512a_100000725372_100102657272 [0,1,0,0,0,1|2,0,0]=4 1019 B9R0.21 CNC(=O)NNC(C)(C)C 512a_106832991638_100000725372 [0,1,0,0,0,1|2,0,0]=4 1020 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,1,0,0,0,1|1,0,0]=3 1021 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,1,0,0,0,1|1,0,0]=3 1022 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,1,0,0,0,1|1,0,0]=3 1023 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,1,0,0,0,1|1,0,0]=3 1024 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,1,0,0,0,1|1,0,0]=3 1025 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [0,1,0,0,0,1|2,0,0]=4 1026 B9R0.21 C[Si](C)(C)CCC(=O)CF 1458a_100011215282_100015361967 [0,1,0,0,0,1|1,1,0]=4 1027 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [0,1,0,0,0,1|1,1,0]=4 1028 B9R0.21 C[Si](C)(C)CNC(=O)CO 240690a_102516607284_100000210174 [0,1,0,0,0,1|1,1,0]=4 1029 B9R0.21 C[Si](C)(C)CNC(=O)CO 527a_102516607284_100000210174 [0,1,0,0,0,1|1,1,0]=4 1030 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [0,1,0,0,0,1|1,0,1]=4 1031 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [0,1,0,0,0,1|1,0,0]=3 1032 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [0,1,0,0,0,1|1,0,0]=3 1033 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [0,1,0,0,0,1|1,0,0]=3 1034 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [0,1,0,0,0,1|1,0,0]=3 1035 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [0,1,0,0,0,1|1,0,0]=3 1036 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,1,0,0,0,1|1,0,0]=3 1037 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,1,0,0,0,1|1,0,0]=3 1038 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,1,0,0,0,1|1,0,0]=3 1039 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,1,0,0,0,1|1,0,0]=3 1040 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [0,1,0,0,0,1|0,1,0]=3 1041 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [0,1,0,0,0,1|0,1,0]=3 1042 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [0,1,0,0,0,1|0,1,0]=3 1043 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 11a_200020589227_100015343762 [0,1,0,0,0,1|1,1,0]=4 1044 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 1626a_200020589227_100015343762 [0,1,0,0,0,1|1,1,0]=4 1045 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 240690a_200020589227_100015343762 [0,1,0,0,0,1|1,1,0]=4 1046 B9R0.57 CC(=O)N(C)C[Si](C)(C)C 527a_200020589227_100103153847 [0,1,0,0,0,1|1,1,0]=4 1047 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [0,1,0,0,0,1|1,0,1]=4 1048 B9R0.57 CC(C)(C)NC(F)C(=O)N 2230a_100000715429_100009813875 [0,1,0,0,0,1|2,0,0]=4 1049 B9R0.57 CC(C)(C)OC(F)C(=O)N 34a_100015890283_100009813875 [0,1,0,0,0,1|2,0,0]=4 1050 B9R0.57 CC(C)(C)OC(F)C(=O)N 7a_100015890283_100009813875 [0,1,0,0,0,1|2,0,0]=4 1051 B9R0.57 CC(C)(C)OC(F)C(=O)[O-] 34a_100015890283_100020610796 [0,1,0,0,0,1|2,0,0]=4 1052 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100000211941_100009813875 [0,1,0,0,0,1|2,0,0]=4 1053 B9R0.57 CC(C)(C)SC(F)C(=O)N 62a_100009813875_100000211941 [0,1,0,0,0,1|2,0,0]=4 1054 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100000211941_100020610796 [0,1,0,0,0,1|2,0,0]=4 1055 B9R0.57 CC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000211941 [0,1,0,0,0,1|2,0,0]=4 1056 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [0,1,0,0,0,1|2,0,0]=4 1057 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [0,1,0,0,0,1|2,0,0]=4 1058 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [0,1,0,0,0,1|2,0,0]=4 1059 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [0,1,0,0,0,1|2,0,0]=4 1060 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [0,1,0,0,0,1|2,0,0]=4 1061 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [0,1,0,0,0,1|2,0,0]=4 1062 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [0,1,0,0,0,1|2,0,0]=4 1063 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,1|2,0,0]=4 1064 B9R0.64 C#CC(C)(C)NCC(=C)C 34a_100000054563_100000748629 [0,1,0,0,0,1|2,0,0]=4 1065 B9R0.64 C#CC(C)(C)NCC(=O)N 34a_100000054563_100000187820 [0,1,0,0,0,1|2,0,0]=4 1066 B9R0.64 C#CC(C)(C)NCC(=O)O 269956a_100016091260_100000038118 [0,1,0,0,0,1|2,0,0]=4 1067 B9R0.64 C#CC(C)(C)NCC(=O)[O-] 34a_100000054563_100020667443 [0,1,0,0,0,1|2,0,0]=4 1068 B9R0.64 C#CC(C)(C)OCC(=C)C 34a_100000189450_100000748629 [0,1,0,0,0,1|2,0,0]=4 1069 B9R0.64 C#CC(C)(C)OCC(=C)C 34a_100000210245_100000038118 [0,1,0,0,0,1|2,0,0]=4 1070 B9R0.64 C#CC(C)(C)OCC(=C)C 7a_100000189450_100000748629 [0,1,0,0,0,1|2,0,0]=4 1071 B9R0.64 C#CC(C)(C)OCC(=O)C 34a_100000211253_100000038118 [0,1,0,0,0,1|1,0,0]=3 1072 B9R0.64 C#CC(C)(C)OCC(=O)N 34a_100000189450_100000187820 [0,1,0,0,0,1|2,0,0]=4 1073 B9R0.64 C#CC(C)(C)OCC(=O)N 7a_100000189450_100000187820 [0,1,0,0,0,1|2,0,0]=4 1074 B9R0.64 C#CC(C)(C)OCC(=O)[O-] 34a_100000189450_100020667443 [0,1,0,0,0,1|2,0,0]=4 1075 B9R0.64 C#CC(C)(C)SCC(=C)C 62a_100000038118_100000211660 [0,1,0,0,0,1|2,0,0]=4 1076 B9R0.64 C#CC(C)(C)SCC(=C)C 62a_100000748629_100000038118 [0,1,0,0,0,1|2,0,0]=4 1077 B9R0.64 C#CC(C)(C)SCC(=O)N 62a_100000038118_100000747473 [0,1,0,0,0,1|2,0,0]=4 1078 B9R0.64 C#CC(C)(C)SCC(=O)N 62a_100000747473_100000038118 [0,1,0,0,0,1|2,0,0]=4 1079 B9R0.64 C#CC(C)(C)SCC(=O)[O-] 62a_100000038118_100020667443 [0,1,0,0,0,1|2,0,0]=4 1080 B9R0.64 C#CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000038118 [0,1,0,0,0,1|2,0,0]=4 1081 B9R0.64 C=C(C)CNC(C)(C)CC 2230a_100000211385_100000748629 [0,1,0,0,0,1|2,0,0]=4 1082 B9R0.64 C=C(C)CNC(C)(C)CO 2230a_100000210608_100000748629 [0,1,0,0,0,1|1,1,0]=4 1083 B9R0.64 C=C(C)COC(C)(C)C#N 34a_100000210245_100011162410 [0,1,0,0,0,1|2,0,0]=4 1084 B9R0.64 C=C(C)COC(C)(C)C#N 34a_200015195151_100000748629 [0,1,0,0,0,1|2,0,0]=4 1085 B9R0.64 C=C(C)COC(C)(C)CC 7a_100000210230_100000748629 [0,1,0,0,0,1|2,0,0]=4 1086 B9R0.64 C=C(C)COC(C)(C)CCl 7a_100000764493_100000748629 [0,1,0,0,0,1|2,0,0]=4 1087 B9R0.64 C=C(C)CSC(C)(C)C#N 62a_100000748629_100011162410 [0,1,0,0,0,1|2,0,0]=4 1088 B9R0.64 C=C(C)CSC(C)(C)C#N 62a_100011162410_100000211660 [0,1,0,0,0,1|2,0,0]=4 1089 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000032637_100000211660 [0,1,0,0,0,1|2,0,0]=4 1090 B9R0.64 C=C(C)CSC(C)(C)CC 62a_100000748629_100000032637 [0,1,0,0,0,1|2,0,0]=4 1091 B9R0.64 C=CC(C)(C)OCC(=C)C 34a_100011215311_100000748629 [0,1,0,0,0,1|2,0,0]=4 1092 B9R0.64 C=CC(C)(C)OCC(=C)C 7a_100011215311_100000748629 [0,1,0,0,0,1|2,0,0]=4 1093 B9R0.64 C=CC(C)(C)OCC(=O)N 34a_100011215311_100000187820 [0,1,0,0,0,1|2,0,0]=4 1094 B9R0.64 C=CC(C)(C)OCC(=O)N 7a_100011215311_100000187820 [0,1,0,0,0,1|2,0,0]=4 1095 B9R0.64 C=CC(C)(C)OCC(=O)[O-] 34a_100011215311_100020667443 [0,1,0,0,0,1|2,0,0]=4 1096 B9R0.64 CC(=O)COC(C)(C)C#N 34a_100000211253_100011162410 [0,1,0,0,0,1|1,0,0]=3 1097 B9R0.64 CC(=O)NCC(C)(C)CO 240690a_100020635058_100015343762 [0,1,0,0,0,1|0,1,0]=3 1098 B9R0.64 CC(=O)NCC(C)(C)CO 527a_100020635058_100103153847 [0,1,0,0,0,1|0,1,0]=3 1099 B9R0.64 CC(=O)NCC(F)(F)CO 240690a_100000703232_100015343762 [0,1,0,0,0,1|2,0,0]=4 1100 B9R0.64 CC(=O)NCC(F)(F)CO 527a_100000703232_100103153847 [0,1,0,0,0,1|2,0,0]=4 1101 B9R0.64 CC(C)(C#N)OCC(=O)N 34a_200015195151_100000187820 [0,1,0,0,0,1|2,0,0]=4 1102 B9R0.64 CC(C)(C#N)OCC(=O)[O-] 34a_200015195151_100020667443 [0,1,0,0,0,1|2,0,0]=4 1103 B9R0.64 CC(C)(C#N)SCC(=O)N 62a_100000747473_100011162410 [0,1,0,0,0,1|2,0,0]=4 1104 B9R0.64 CC(C)(C#N)SCC(=O)N 62a_100011162410_100000747473 [0,1,0,0,0,1|2,0,0]=4 1105 B9R0.64 CC(C)(C#N)SCC(=O)[O-] 62a_100011162410_100020667443 [0,1,0,0,0,1|2,0,0]=4 1106 B9R0.64 CC(C)(C#N)SCC(=O)[O-] 62a_100020667443_100011162410 [0,1,0,0,0,1|2,0,0]=4 1107 B9R0.64 CC(C)(CCl)OCC(=O)N 7a_100000764493_100000187820 [0,1,0,0,0,1|2,0,0]=4 1108 B9R0.64 CC(C)(CO)NCC(=O)N 2230a_100000210608_100000747473 [0,1,0,0,0,1|1,1,0]=4 1109 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200000037585_200025704644 [0,1,0,0,0,1|1,0,1]=4 1110 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200025704644_200000037585 [0,1,0,0,0,1|1,0,1]=4 1111 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [0,1,0,0,0,1|2,0,0]=4 1112 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,1,0,0,0,1|2,0,0]=4 1113 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [0,1,0,0,0,1|2,0,0]=4 1114 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [0,1,0,0,0,1|2,0,0]=4 1115 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [0,1,0,0,0,1|2,0,0]=4 1116 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [0,1,0,0,0,1|2,0,0]=4 1117 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [0,1,0,0,0,1|2,0,0]=4 1118 B9R0.64 COC(C)(C)CNC(=O)C 11a_100000763424_100015343762 [0,1,0,0,0,1|0,1,0]=3 1119 B9R0.64 COC(C)(C)CNC(=O)C 1626a_100000763424_100015343762 [0,1,0,0,0,1|0,1,0]=3 1120 B9R0.64 COC(C)(C)CNC(=O)C 240690a_100000763424_100015343762 [0,1,0,0,0,1|0,1,0]=3 1121 B9R0.64 COC(C)(C)CNC(=O)C 527a_100000763424_100103153847 [0,1,0,0,0,1|0,1,0]=3 1122 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000037585_200000210301 [0,1,0,0,0,1|1,0,1]=4 1123 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000210301_200000037585 [0,1,0,0,0,1|1,0,1]=4 1124 B9R0.77 CC(C)(C)CNS(=O)(=O)C 40a_100000743828_100000738038 [0,1,0,0,0,1|2,0,0]=4 1125 B9R0.77 CC(C)(F)CNS(=O)(=O)C 40a_100020643315_100000738038 [0,1,0,0,0,1|2,0,0]=4 1126 B9R0.77 CC(C)(O)CNS(=O)(=O)C 40a_100000751335_100000738038 [0,1,0,0,0,1|1,1,0]=4 1127 B9R0.22 C#CC(C)(C)NC(=O)CC 11a_100000054563_100000210414 [0,2,0,0,0,0|2,0,0]=4 1128 B9R0.22 C#CC(C)(C)NC(=O)CC 1626a_100000054563_100000210414 [0,2,0,0,0,0|2,0,0]=4 1129 B9R0.22 C#CC(C)(C)NC(=O)CC 240690a_100000054563_100000210414 [0,2,0,0,0,0|2,0,0]=4 1130 B9R0.22 C#CC(C)(C)NC(=O)CO 240690a_100000054563_100000210174 [0,2,0,0,0,0|2,0,0]=4 1131 B9R0.22 C#CC(C)(C)NC(=O)NC 273464a_100000054563_100102657272 [0,2,0,0,0,0|2,0,0]=4 1132 B9R0.22 C#CC(C)(C)NC(=O)NC 273464a_100102657272_100000054563 [0,2,0,0,0,0|2,0,0]=4 1133 B9R0.22 C#CC(C)(C)NC(=O)NC 512a_100000054563_100102657272 [0,2,0,0,0,0|2,0,0]=4 1134 B9R0.22 C#CC(C)(C)NC(=O)NC 512a_106832991638_100000054563 [0,2,0,0,0,0|2,0,0]=4 1135 B9R0.22 C=C[Si](C)(C)CC(=O)CC 1458a_100000210414_100000038793 [0,2,0,0,0,0|1,1,0]=4 1136 B9R0.22 C=C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000038793 [0,2,0,0,0,0|1,1,0]=4 1137 B9R0.22 CC(C)(C#N)NC(=O)CO 527a_100000761509_100000210174 [0,2,0,0,0,0|2,0,0]=4 1138 B9R0.22 CC(C)(CO)NC(=O)CO 240690a_100000210608_100000210174 [0,2,0,0,0,0|1,1,0]=4 1139 B9R0.22 CC(C)(CO)NC(=O)CO 527a_100020618417_100000210174 [0,2,0,0,0,0|1,1,0]=4 1140 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,2,0,0,0,0|1,0,0]=3 1141 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,2,0,0,0,0|0,1,0]=3 1142 B9R0.22 CCC(=O)NC(C)(C)C#N 11a_100000761509_100000210414 [0,2,0,0,0,0|2,0,0]=4 1143 B9R0.22 CCC(=O)NC(C)(C)C#N 1626a_100000761509_100000210414 [0,2,0,0,0,0|2,0,0]=4 1144 B9R0.22 CCC(=O)NC(C)(C)C#N 527a_100000761509_100000210414 [0,2,0,0,0,0|2,0,0]=4 1145 B9R0.22 CCC(=O)NC(C)(C)CC 11a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 1146 B9R0.22 CCC(=O)NC(C)(C)CC 1626a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 1147 B9R0.22 CCC(=O)NC(C)(C)CC 240690a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 1148 B9R0.22 CCC(=O)NC(C)(C)CC 527a_100000211385_100000210414 [0,2,0,0,0,0|2,0,0]=4 1149 B9R0.22 CCC(=O)NC(C)(C)CO 240690a_100000210608_100000210414 [0,2,0,0,0,0|1,1,0]=4 1150 B9R0.22 CCC(=O)NC(C)(C)CO 527a_100020618417_100000210414 [0,2,0,0,0,0|1,1,0]=4 1151 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [0,2,0,0,0,0|1,0,0]=3 1152 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,2,0,0,0,0|1,0,0]=3 1153 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 1154 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 1155 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,2,0,0,0,0|1,0,0]=3 1156 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [0,2,0,0,0,0|2,0,0]=4 1157 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [0,2,0,0,0,0|2,0,0]=4 1158 B9R0.22 CCC(C)(C)NC(=O)NC 2708a_100102657272_100000211385 [0,2,0,0,0,0|2,0,0]=4 1159 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100000211385_100102657272 [0,2,0,0,0,0|2,0,0]=4 1160 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100102657272_100000211385 [0,2,0,0,0,0|2,0,0]=4 1161 B9R0.22 CCC(C)(C)NC(=O)NC 512a_100000211385_100102657272 [0,2,0,0,0,0|2,0,0]=4 1162 B9R0.22 CCC(C)(C)NC(=O)NC 512a_106832991638_100000211385 [0,2,0,0,0,0|2,0,0]=4 1163 B9R0.22 CCC(C)(O)CC(=O)CF 1458a_200011219800_100015361967 [0,2,0,0,0,0|0,1,0]=3 1164 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [0,2,0,0,0,0|0,1,0]=3 1165 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [0,2,0,0,0,0|0,1,0]=3 1166 B9R0.22 CNC(=O)NC(C)(C)C#N 273464a_100000761509_100102657272 [0,2,0,0,0,0|2,0,0]=4 1167 B9R0.22 CNC(=O)NC(C)(C)C#N 273464a_100102657272_100000761509 [0,2,0,0,0,0|2,0,0]=4 1168 B9R0.22 CNC(=O)NC(C)(C)C#N 512a_100000761509_100102657272 [0,2,0,0,0,0|2,0,0]=4 1169 B9R0.22 CNC(=O)NC(C)(C)C#N 512a_106832991638_100000761509 [0,2,0,0,0,0|2,0,0]=4 1170 B9R0.22 CNC(=O)NC(C)(C)CO 2708a_100102657272_100000210608 [0,2,0,0,0,0|1,1,0]=4 1171 B9R0.22 CNC(=O)NC(C)(C)CO 273464a_100000210608_100102657272 [0,2,0,0,0,0|1,1,0]=4 1172 B9R0.22 CNC(=O)NC(C)(C)CO 273464a_100102657272_100000210608 [0,2,0,0,0,0|1,1,0]=4 1173 B9R0.22 CNC(=O)NC(C)(C)CO 512a_100000210608_100102657272 [0,2,0,0,0,0|1,1,0]=4 1174 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,2,0,0,0,0|0,1,0]=3 1175 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,2,0,0,0,0|0,1,0]=3 1176 B9R0.25 CC(C)(C)[C@H](O)C(=O)CF 1458a_100009816492_100015361967 [0,2,0,0,0,0|1,0,0]=3 1177 B9R0.25 CCC(=O)N(C)C(C)(C)C 11a_100011215553_100000210414 [0,2,0,0,0,0|2,0,0]=4 1178 B9R0.25 CCC(=O)N(C)C(C)(C)C 1626a_100011215553_100000210414 [0,2,0,0,0,0|2,0,0]=4 1179 B9R0.25 CCC(=O)N(C)C(C)(C)C 240690a_100011215553_100000210414 [0,2,0,0,0,0|2,0,0]=4 1180 B9R0.25 CCC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210202 [0,2,0,0,0,0|1,0,0]=3 1181 B9R0.25 CN(C(=O)CO)C(C)(C)C 240690a_100011215553_100000210174 [0,2,0,0,0,0|2,0,0]=4 1182 B9R0.25 CNC(=O)N(C)C(C)(C)C 2708a_100102657272_100011215553 [0,2,0,0,0,0|2,0,0]=4 1183 B9R0.25 CNC(=O)N(C)C(C)(C)C 273464a_100102657272_100011215553 [0,2,0,0,0,0|2,0,0]=4 1184 B9R0.25 CNC(=O)[C@@H](O)C(C)(C)C 240690a_100102657272_100009816492 [0,2,0,0,0,0|1,0,0]=3 1185 B9R0.44 C#CCC(=O)CC(C)(C)C 1458a_100000211214_100000184674 [0,2,0,0,0,0|1,0,0]=3 1186 B9R0.44 C#CCC(=O)CC(C)(C)O 1458a_100000693243_100000184674 [0,2,0,0,0,0|0,1,0]=3 1187 B9R0.44 C#CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000184674 [0,2,0,0,0,0|2,0,0]=4 1188 B9R0.44 C#CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000184674 [0,2,0,0,0,0|1,1,0]=4 1189 B9R0.44 C#CCC(=O)C[Si](C)(C)C 1458a_100011220946_100000233785 [0,2,0,0,0,0|1,1,0]=4 1190 B9R0.44 C#CCC(=O)NC(C)(C)C 1626a_100000715429_100011220946 [0,2,0,0,0,0|2,0,0]=4 1191 B9R0.44 C#CCC(=O)NC(C)(C)C 527a_100000715429_100011220946 [0,2,0,0,0,0|2,0,0]=4 1192 B9R0.44 C=CCC(=O)CC(C)(C)C 1458a_100000211214_100000210623 [0,2,0,0,0,0|1,0,0]=3 1193 B9R0.44 C=CCC(=O)CC(C)(C)O 1458a_100000693243_100000210623 [0,2,0,0,0,0|0,1,0]=3 1194 B9R0.44 C=CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210623 [0,2,0,0,0,0|2,0,0]=4 1195 B9R0.44 C=CCC(=O)C[Si](C)(C)C 1458a_100000210193_100000233785 [0,2,0,0,0,0|1,1,0]=4 1196 B9R0.44 C=CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210623 [0,2,0,0,0,0|1,1,0]=4 1197 B9R0.44 C=CCC(=O)NC(C)(C)C 11a_100000715429_100000210193 [0,2,0,0,0,0|2,0,0]=4 1198 B9R0.44 C=CCC(=O)NC(C)(C)C 1626a_100000715429_100000210193 [0,2,0,0,0,0|2,0,0]=4 1199 B9R0.44 C=CCC(=O)NC(C)(C)C 240690a_100000715429_100000210193 [0,2,0,0,0,0|2,0,0]=4 1200 B9R0.44 C=CCC(=O)NC(C)(C)C 527a_100000715429_100000210193 [0,2,0,0,0,0|2,0,0]=4 1201 B9R0.44 CC#CC(=O)C[Si](C)(C)C 1458a_100000763181_100000233785 [0,2,0,0,0,0|1,1,0]=4 1202 B9R0.44 CC(C)(C)CC(=O)CC#N 1458a_100000211214_100011214920 [0,2,0,0,0,0|1,0,0]=3 1203 B9R0.44 CC(C)(C)CC(=O)CCF 1458a_100000211214_100011217306 [0,2,0,0,0,0|1,0,0]=3 1204 B9R0.44 CC(C)(C)CC(=O)CCO 1458a_100000211214_100000211926 [0,2,0,0,0,0|1,0,0]=3 1205 B9R0.44 CC(C)(C)NC(=O)CC#N 1626a_100000715429_100051588842 [0,2,0,0,0,0|2,0,0]=4 1206 B9R0.44 CC(C)(C)NC(=O)CC#N 240690a_100000715429_100051588842 [0,2,0,0,0,0|2,0,0]=4 1207 B9R0.44 CC(C)(C)NC(=O)CCO 240690a_100000715429_100011216618 [0,2,0,0,0,0|2,0,0]=4 1208 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 2230a_100000174917_200025704644 [0,2,0,0,0,0|2,0,0]=4 1209 B9R0.44 CC(C)(C)NC(=O)CN[13CH3] 34a_100000174917_200025704644 [0,2,0,0,0,0|2,0,0]=4 1210 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_100000182746_200025704644 [0,2,0,0,0,0|2,0,0]=4 1211 B9R0.44 CC(C)(C)NC(=O)CS[13CH3] 62a_200025704644_100000182746 [0,2,0,0,0,0|2,0,0]=4 1212 B9R0.44 CC(C)(C)OC(=O)CO[13CH3] 34a_100000752683_200025704644 [0,2,0,0,0,0|2,0,0]=4 1213 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_100000183872_200025704644 [0,2,0,0,0,0|2,0,0]=4 1214 B9R0.44 CC(C)(C)OC(=O)CS[13CH3] 62a_200025704644_100000183872 [0,2,0,0,0,0|2,0,0]=4 1215 B9R0.44 CC(C)(O)CC(=O)CC#N 1458a_100000693243_100011214920 [0,2,0,0,0,0|0,1,0]=3 1216 B9R0.44 CC(C)(O)CC(=O)CCF 1458a_100000693243_100011217306 [0,2,0,0,0,0|0,1,0]=3 1217 B9R0.44 CC(C)(O)CC(=O)CCO 1458a_100000693243_100000211926 [0,2,0,0,0,0|0,1,0]=3 1218 B9R0.44 CC=CC(=O)C[Si](C)(C)C 1458a_100000210699_100000233785 [0,2,0,0,0,0|1,1,0]=4 1219 B9R0.44 CC=CC(=O)NC(C)(C)C 11a_100000715429_100000210699 [0,2,0,0,0,0|2,0,0]=4 1220 B9R0.44 CC=CC(=O)NC(C)(C)C 1626a_100000715429_100000210699 [0,2,0,0,0,0|2,0,0]=4 1221 B9R0.44 CC=CC(=O)NC(C)(C)C 240690a_100000715429_100000210699 [0,2,0,0,0,0|2,0,0]=4 1222 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,2,0,0,0,0|1,0,0]=3 1223 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,2,0,0,0,0|0,1,0]=3 1224 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,2,0,0,0,0|2,0,0]=4 1225 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,2,0,0,0,0|1,1,0]=4 1226 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,2,0,0,0,0|1,1,0]=4 1227 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 1228 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 1229 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 1230 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,2,0,0,0,0|2,0,0]=4 1231 B9R0.44 CCNC(=O)CC(C)(C)C 11a_100015525214_100000211214 [0,2,0,0,0,0|1,0,0]=3 1232 B9R0.44 CCNC(=O)CC(C)(C)C 240690a_100015525214_100000211214 [0,2,0,0,0,0|1,0,0]=3 1233 B9R0.44 CCNC(=O)CC(C)(C)C 527a_100015525214_100000211214 [0,2,0,0,0,0|1,0,0]=3 1234 B9R0.44 CCNC(=O)CC(C)(C)O 527a_100015525214_100000693243 [0,2,0,0,0,0|0,1,0]=3 1235 B9R0.44 CCNC(=O)C[N+](C)(C)C 11a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 1236 B9R0.44 CCNC(=O)C[N+](C)(C)C 240690a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 1237 B9R0.44 CCNC(=O)C[N+](C)(C)C 527a_100015525214_100000033712 [0,2,0,0,0,0|2,0,0]=4 1238 B9R0.44 CCNC(=O)C[Si](C)(C)C 11a_100015525214_100011218504 [0,2,0,0,0,0|1,1,0]=4 1239 B9R0.44 CCNC(=O)NC(C)(C)C 2708a_100015525214_100000715429 [0,2,0,0,0,0|2,0,0]=4 1240 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100000715429_100015525214 [0,2,0,0,0,0|2,0,0]=4 1241 B9R0.44 CCNC(=O)NC(C)(C)C 273464a_100015525214_100000715429 [0,2,0,0,0,0|2,0,0]=4 1242 B9R0.44 CCNC(=O)NC(C)(C)C 512a_100000715429_100015525214 [0,2,0,0,0,0|2,0,0]=4 1243 B9R0.44 CN(CC=O)CC(C)(C)C 2230a_100000742839_200015260668 [0,2,0,0,0,0|2,0,0]=4 1244 B9R0.44 CN(CC=O)CC(C)(C)C 269982a_100000742839_200015260668 [0,2,0,0,0,0|2,0,0]=4 1245 B9R0.44 CN(CC=O)CC(C)(C)O 2230a_100000755907_200015260668 [0,2,0,0,0,0|1,1,0]=4 1246 B9R0.44 CN(CC=O)CC(C)(C)O 269982a_100000755907_200015260668 [0,2,0,0,0,0|1,1,0]=4 1247 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_100000174917_200000210301 [0,2,0,0,0,0|2,0,0]=4 1248 B9R0.44 CNCC(=O)NC(C)(C)C 2230a_106832991635_100000182746 [0,2,0,0,0,0|2,0,0]=4 1249 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100000174917_200000210301 [0,2,0,0,0,0|2,0,0]=4 1250 B9R0.44 CNCC(=O)NC(C)(C)C 34a_100102657272_100000182746 [0,2,0,0,0,0|2,0,0]=4 1251 B9R0.44 CNCC(=O)NC(C)(C)C 7a_106832991635_100000182746 [0,2,0,0,0,0|2,0,0]=4 1252 B9R0.44 CNCC(=O)OC(C)(C)C 2230a_106832991635_100000183872 [0,2,0,0,0,0|2,0,0]=4 1253 B9R0.44 CNCC(=O)OC(C)(C)C 34a_100102657272_100000183872 [0,2,0,0,0,0|2,0,0]=4 1254 B9R0.44 CNCC(=O)OC(C)(C)C 7a_106832991635_100000183872 [0,2,0,0,0,0|2,0,0]=4 1255 B9R0.44 CNNC(=O)CC(C)(C)C 22a_100016993582_100000211214 [0,2,0,0,0,0|1,0,0]=3 1256 B9R0.44 CNNC(=O)CC(C)(C)O 22a_100016993582_100000693243 [0,2,0,0,0,0|0,1,0]=3 1257 B9R0.44 CNNC(=O)C[N+](C)(C)C 22a_100016993582_100000033712 [0,2,0,0,0,0|2,0,0]=4 1258 B9R0.44 CNNC(=O)NC(C)(C)C 273464a_100000715429_100016993582 [0,2,0,0,0,0|2,0,0]=4 1259 B9R0.44 CNNC(=O)NC(C)(C)C 512a_100000715429_100016993582 [0,2,0,0,0,0|2,0,0]=4 1260 B9R0.44 COCC(=O)C[Si](C)(C)C 1458a_100000210968_100000233785 [0,2,0,0,0,0|1,1,0]=4 1261 B9R0.44 COCC(=O)NC(C)(C)C 11a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 1262 B9R0.44 COCC(=O)NC(C)(C)C 1626a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 1263 B9R0.44 COCC(=O)NC(C)(C)C 240690a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 1264 B9R0.44 COCC(=O)NC(C)(C)C 34a_100138415774_100000182746 [0,2,0,0,0,0|2,0,0]=4 1265 B9R0.44 COCC(=O)NC(C)(C)C 527a_100000715429_100000210968 [0,2,0,0,0,0|2,0,0]=4 1266 B9R0.44 COCC(=O)OC(C)(C)C 34a_100000752683_200000210301 [0,2,0,0,0,0|2,0,0]=4 1267 B9R0.44 COCC(=O)OC(C)(C)C 34a_100138415774_100000183872 [0,2,0,0,0,0|2,0,0]=4 1268 B9R0.44 CSCC(=O)C[Si](C)(C)C 1458a_100000184570_100000233785 [0,2,0,0,0,0|1,1,0]=4 1269 B9R0.44 CSCC(=O)NC(C)(C)C 11a_100000715429_100000184570 [0,2,0,0,0,0|2,0,0]=4 1270 B9R0.44 CSCC(=O)NC(C)(C)C 1626a_100000715429_100000184570 [0,2,0,0,0,0|2,0,0]=4 1271 B9R0.44 CSCC(=O)NC(C)(C)C 240690a_100000715429_100000184570 [0,2,0,0,0,0|2,0,0]=4 1272 B9R0.44 CSCC(=O)NC(C)(C)C 527a_100000715429_100000184570 [0,2,0,0,0,0|2,0,0]=4 1273 B9R0.44 CSCC(=O)NC(C)(C)C 62a_100000182746_200000210301 [0,2,0,0,0,0|2,0,0]=4 1274 B9R0.44 CSCC(=O)NC(C)(C)C 62a_200000210301_100000182746 [0,2,0,0,0,0|2,0,0]=4 1275 B9R0.44 CSCC(=O)OC(C)(C)C 62a_100000183872_200000210301 [0,2,0,0,0,0|2,0,0]=4 1276 B9R0.44 CSCC(=O)OC(C)(C)C 62a_200000210301_100000183872 [0,2,0,0,0,0|2,0,0]=4 1277 B9R0.44 C[N+](C)(C)CC(=O)CC#N 1458a_100000033712_100011214920 [0,2,0,0,0,0|2,0,0]=4 1278 B9R0.44 C[N+](C)(C)CC(=O)CCF 1458a_100000033712_100011217306 [0,2,0,0,0,0|2,0,0]=4 1279 B9R0.44 C[N+](C)(C)CC(=O)CCO 1458a_100000033712_100000211926 [0,2,0,0,0,0|2,0,0]=4 1280 B9R0.44 C[Si](C)(C)CC(=O)CC#N 1458a_100011218504_100011214920 [0,2,0,0,0,0|1,1,0]=4 1281 B9R0.44 C[Si](C)(C)CC(=O)CC#N 1458a_100051588842_100000233785 [0,2,0,0,0,0|1,1,0]=4 1282 B9R0.44 C[Si](C)(C)CC(=O)CCF 1458a_100011218504_100011217306 [0,2,0,0,0,0|1,1,0]=4 1283 B9R0.44 C[Si](C)(C)CC(=O)CCO 1458a_100011216618_100000233785 [0,2,0,0,0,0|1,1,0]=4 1284 B9R0.44 C[Si](C)(C)CC(=O)CCO 1458a_100011218504_100000211926 [0,2,0,0,0,0|1,1,0]=4 1285 B9R0.32 CC(=O)N(C)C(C)(C)CO 240690a_100015204102_100015343762 [0,2,0,0,0,0|1,1,0]=4 1286 B9R0.32 CC(=O)N(C)C(C)(C)CO 527a_100015204102_100103153847 [0,2,0,0,0,0|1,1,0]=4 1287 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 1288 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 1289 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 1290 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,2,0,0,0,0|2,0,0]=4 1291 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [0,2,0,0,0,0|2,0,0]=4 1292 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 2230a_100000765447_200025704644 [0,2,0,0,0,0|2,0,0]=4 1293 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 34a_100000765447_200025704644 [0,2,0,0,0,0|2,0,0]=4 1294 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,2,0,0,0,0|1,1,0]=4 1295 B9R0.72 CCN(C(=O)C)C(C)(C)C 11a_100011200764_100015343762 [0,2,0,0,0,0|2,0,0]=4 1296 B9R0.72 CCN(C(=O)C)C(C)(C)C 1626a_100011200764_100015343762 [0,2,0,0,0,0|2,0,0]=4 1297 B9R0.72 CCN(C(=O)C)C(C)(C)C 240690a_100011200764_100015343762 [0,2,0,0,0,0|2,0,0]=4 1298 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [0,2,0,0,0,0|2,0,0]=4 1299 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,2,0,0,0,0|1,1,0]=4 1300 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 2230a_100000765447_200000210301 [0,2,0,0,0,0|2,0,0]=4 1301 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 34a_100000765447_200000210301 [0,2,0,0,0,0|2,0,0]=4 1302 B9R0.80 CC(=O)C(F)(F)[Si](C)(C)C 1458a_100000070787_100010009690 [0,2,0,0,0,0|1,1,0]=4 1303 B9R0.11 CC(=O)NC(C)(C)C(=O)C 1458a_100000750020_200000210301 [0,2,0,0,0,0|1,1,0]=4 1304 B9R0.11 CC(=O)NC(C)(C)C(=O)N 11a_100000743658_100015343762 [0,2,0,0,0,0|1,1,0]=4 1305 B9R0.11 CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100015343762 [0,2,0,0,0,0|1,1,0]=4 1306 B9R0.11 CC(=O)NC(C)(C)C(=O)N 527a_100000743658_100103153847 [0,2,0,0,0,0|1,1,0]=4 1307 B9R0.11 CC(=O)NC(C)(C)C(=O)[13CH3] 1458a_100000750020_200025704644 [0,2,0,0,0,0|1,1,0]=4 1308 B9R0.11 CC(=O)NC(C)(C)C(C)C 11a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 1309 B9R0.11 CC(=O)NC(C)(C)C(C)C 1626a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 1310 B9R0.11 CC(=O)NC(C)(C)C(C)C 240690a_200160471154_100015343762 [0,2,0,0,0,0|2,0,0]=4 1311 B9R0.11 CC(=O)NC(C)(C)C(C)C 527a_200160471154_100103153847 [0,2,0,0,0,0|2,0,0]=4 1312 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [0,2,0,0,0,0|1,1,0]=4 1313 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [0,2,0,0,0,0|1,1,0]=4 1314 B9R0.58 C=CC[Si](C)(C)CC(=O)C 1458a_100000070787_100000046978 [0,2,0,0,0,0|1,1,0]=4 1315 B9R0.58 CC(=O)CC(C)(C)OCF 7a_100000210262_100015361967 [0,2,0,0,0,0|0,1,0]=3 1316 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [0,2,0,0,0,0|1,1,0]=4 1317 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [0,2,0,0,0,0|1,1,0]=4 1318 B9R0.58 CC(C)(CC(=O)O)NCF 269956a_100000755897_100015361967 [0,2,0,0,0,0|2,0,0]=4 1319 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,2,0,0,0,0|0,1,0]=3 1320 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,2,0,0,0,0|0,1,0]=3 1321 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,2,0,0,0,0|2,0,0]=4 1322 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,2,0,0,0,0|2,0,0]=4 1323 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,2,0,0,0,0|0,1,0]=3 1324 B9R0.58 CCO[Si](C)(C)CC(=O)C 1458a_100000070787_200000065227 [0,2,0,0,0,0|0,2,0]=4 1325 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [0,2,0,0,0,0|1,1,0]=4 1326 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [0,2,0,0,0,0|1,1,0]=4 1327 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [0,2,0,0,0,0|1,1,0]=4 1328 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [0,2,0,0,0,0|1,1,0]=4 1329 B9R0.58 CSCC(C)(C)NC(=O)C 11a_100000759623_100015343762 [0,2,0,0,0,0|1,0,0]=3 1330 B9R0.58 CSCC(C)(C)NC(=O)C 1626a_100000759623_100015343762 [0,2,0,0,0,0|1,0,0]=3 1331 B9R0.58 CSCC(C)(C)NC(=O)C 240690a_100000759623_100015343762 [0,2,0,0,0,0|1,0,0]=3 1332 B9R0.58 CSCC(C)(C)NC(=O)C 527a_100000759623_100103153847 [0,2,0,0,0,0|1,0,0]=3 1333 B9R0.63 C#CC(C)(CC)NC(=O)C 11a_100000054623_100015343762 [0,2,0,0,0,0|2,0,0]=4 1334 B9R0.63 C#CC(C)(CC)NC(=O)C 1626a_100000054623_100015343762 [0,2,0,0,0,0|2,0,0]=4 1335 B9R0.63 C#CC(C)(CC)NC(=O)C 240690a_100000054623_100015343762 [0,2,0,0,0,0|2,0,0]=4 1336 B9R0.63 CC(=O)NC(C)(CO)CO 240690a_100000764395_100015343762 [0,2,0,0,0,0|1,1,0]=4 1337 B9R0.63 CC(=O)NC(C)(CO)CO 527a_100000764395_100103153847 [0,2,0,0,0,0|1,1,0]=4 1338 B9R0.63 CCC(C)(C#N)NC(=O)C 11a_100000741185_100015343762 [0,2,0,0,0,0|2,0,0]=4 1339 B9R0.63 CCC(C)(C#N)NC(=O)C 1626a_100000741185_100015343762 [0,2,0,0,0,0|2,0,0]=4 1340 B9R0.63 CCC(C)(C#N)NC(=O)C 240690a_100000741185_100015343762 [0,2,0,0,0,0|2,0,0]=4 1341 B9R0.63 CCC(C)(C#N)NC(=O)C 527a_100000741185_100103153847 [0,2,0,0,0,0|2,0,0]=4 1342 B9R0.63 CCC(C)(CO)NC(=O)C 240690a_100000747662_100015343762 [0,2,0,0,0,0|1,1,0]=4 1343 B9R0.63 CCC(C)(CO)NC(=O)C 527a_100000747662_100103153847 [0,2,0,0,0,0|1,1,0]=4 1344 B9R0.63 COP(=O)(CC(=O)C)OC 1458a_100000034275_200000210301 [0,2,0,0,0,0|1,1,0]=4 1345 B9R0.63 COP(=O)(CC(=O)[13CH3])OC 1458a_100000034275_200025704644 [0,2,0,0,0,0|1,1,0]=4 1346 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 1347 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 1348 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 1349 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 1350 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 1351 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 1352 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 1353 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 1354 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|0,0,0]=2 1355 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|1,0,0]=3 1356 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|0,0,0]=2 1357 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|1,0,0]=3 1358 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [1,0,0,1,0,0|2,0,0]=4 1359 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [1,0,0,1,0,0|2,0,0]=4 1360 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [1,0,0,1,0,0|2,0,0]=4 1361 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [1,0,0,1,0,0|2,0,0]=4 1362 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|0,0,0]=2 1363 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|0,0,0]=2 1364 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|0,1,0]=3 1365 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|0,0,0]=2 1366 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|0,1,0]=3 1367 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 1368 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 1369 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|1,0,0]=3 1370 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 1371 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [1,0,0,1,0,0|2,0,0]=4 1372 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [1,0,0,1,0,0|2,0,0]=4 1373 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [1,0,0,1,0,0|2,0,0]=4 1374 B7R1.20 CN(C)CC1CS1 269982a_100102631434_100000031435 [1,0,0,1,0,0|2,0,0]=4 1375 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 1376 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [1,0,0,1,0,0|2,0,0]=4 1377 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|0,0,0]=2 1378 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [1,0,0,1,0,0|2,0,0]=4 1379 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [1,0,0,1,0,0|2,0,0]=4 1380 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|1,1,0]=4 1381 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|1,1,0]=4 1382 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [1,0,0,1,0,0|2,0,0]=4 1383 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [1,0,0,1,0,0|1,1,0]=4 1384 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [1,0,0,1,0,0|1,1,0]=4 1385 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [1,0,0,1,0,0|2,0,0]=4 1386 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [1,0,0,1,0,0|2,0,0]=4 1387 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [1,0,0,1,0,0|2,0,0]=4 1388 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [1,0,0,1,0,0|1,1,0]=4 1389 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|1,1,0]=4 1390 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|1,1,0]=4 1391 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [1,0,0,1,0,0|1,1,0]=4 1392 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [1,0,0,1,0,0|2,0,0]=4 1393 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [1,0,0,1,0,0|2,0,0]=4 1394 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,1,0|1,0,0]=3 1395 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,1,1,0|1,0,0]=3 1396 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,1,1,0|0,1,0]=3 1397 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,1,0|1,0,0]=3 1398 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,1,1,0|1,0,0]=3 1399 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,1,1,0|0,1,0]=3 1400 B9R1.147 C=C(C)CNC1(CC1)C 2230a_100000757604_100000748629 [0,0,0,1,0,1|2,0,0]=4 1401 B9R1.147 C=C(C)COC1(CC1)C 7a_100011725673_100000748629 [0,0,0,1,0,1|2,0,0]=4 1402 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,0,0,1,0,1|1,0,0]=3 1403 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,0,0,1,0,1|1,0,0]=3 1404 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,0,0,1,0,1|1,0,0]=3 1405 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,0,0,1,0,1|1,0,0]=3 1406 B9R1.147 CC(=O)NCC1(CC1)O 11a_100011936951_100015343762 [0,0,0,1,0,1|0,1,0]=3 1407 B9R1.147 CC(=O)NCC1(CC1)O 240690a_100011936951_100015343762 [0,0,0,1,0,1|0,1,0]=3 1408 B9R1.147 CC(=O)NCC1(CC1)O 527a_100011936951_100103153847 [0,0,0,1,0,1|0,1,0]=3 1409 B9R1.147 CC1(CC1)NCC(=O)N 2230a_100000757604_100000747473 [0,0,0,1,0,1|2,0,0]=4 1410 B9R1.147 CC1(CC1)OCC(=O)N 7a_100011725673_100000187820 [0,0,0,1,0,1|2,0,0]=4 1411 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,0,0,1,0,1|1,0,0]=3 1412 B9R1.164 CC(=O)C1CC(C1)(F)F 1458a_100000030993_200000210301 [0,0,0,1,0,1|2,0,0]=4 1413 B9R1.164 CC(=O)C1CC(C1)(F)F 1458a_100000070787_100010741680 [0,0,0,1,0,1|2,0,0]=4 1414 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,0,0,1,0,1|1,0,0]=3 1415 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,0,0,1,0,1|1,0,0]=3 1416 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,0,0,1,0,1|1,0,0]=3 1417 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,0,0,1,0,1|1,0,0]=3 1418 B9R1.164 CC(=O)N1CC(C1)(C)F 11a_100000696199_100015343762 [0,0,0,1,0,1|1,0,0]=3 1419 B9R1.164 CC(=O)N1CC(C1)(C)F 1626a_100000696199_100015343762 [0,0,0,1,0,1|1,0,0]=3 1420 B9R1.164 CC(=O)N1CC(C1)(C)F 240690a_100000696199_100015343762 [0,0,0,1,0,1|1,0,0]=3 1421 B9R1.164 CC(=O)N1CC(C1)(C)F 527a_100000696199_100103153847 [0,0,0,1,0,1|1,0,0]=3 1422 B9R1.164 CC(=O)N1CC(C1)(C)O 11a_100000718560_100015343762 [0,0,0,1,0,1|0,1,0]=3 1423 B9R1.164 CC(=O)N1CC(C1)(C)O 240690a_100000718560_100015343762 [0,0,0,1,0,1|0,1,0]=3 1424 B9R1.164 CC(=O)N1CC(C1)(C)O 527a_100000718560_100103153847 [0,0,0,1,0,1|0,1,0]=3 1425 B9R1.164 CC(=O)N1CC(C1)(F)F 1626a_100000684464_100015343762 [0,0,0,1,0,1|2,0,0]=4 1426 B9R1.164 CC(=O)N1CC(C1)(F)F 240690a_100000684464_100015343762 [0,0,0,1,0,1|2,0,0]=4 1427 B9R1.164 CC(=O)N1CC(C1)(F)F 527a_100000684464_100103153847 [0,0,0,1,0,1|2,0,0]=4 1428 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,0,0,1,0,1|0,1,0]=3 1429 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,0,0,1,0,1|1,0,0]=3 1430 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,0,0,1,0,1|0,1,0]=3 1431 B9R1.164 [13CH3]C(=O)C1CC(C1)(F)F 1458a_100000030993_200025704644 [0,0,0,1,0,1|2,0,0]=4 1432 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000070787_100009817841 [0,0,0,1,0,1|2,0,0]=4 1433 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000138109_200000210301 [0,0,0,1,0,1|2,0,0]=4 1434 B9R1.170 CC(=O)NC1CC1(F)F 1626a_100020610826_100015343762 [0,0,0,1,0,1|2,0,0]=4 1435 B9R1.170 CC(=O)NC1CC1(F)F 240690a_100020610826_100015343762 [0,0,0,1,0,1|2,0,0]=4 1436 B9R1.170 CC(=O)NC1CC1(F)F 527a_100020610826_100103153847 [0,0,0,1,0,1|2,0,0]=4 1437 B9R1.170 [13CH3]C(=O)CC1CC1(F)F 1458a_100000138109_200025704644 [0,0,0,1,0,1|2,0,0]=4 1438 B9R1.113 C#CC(=O)CC1(CO1)C 1458a_100000211873_100000760498 [0,1,0,1,0,0|0,1,1]=4 1439 B9R1.113 C=CC(=O)CC1(CO1)C 1458a_100000185746_100000760498 [0,1,0,1,0,0|0,1,1]=4 1440 B9R1.113 CC1(CC1)CC(=O)CF 1458a_100000112800_100015361967 [0,1,0,1,0,0|1,0,0]=3 1441 B9R1.113 CC1(CC1)NC(=O)CO 240690a_100000757604_100000210174 [0,1,0,1,0,0|2,0,0]=4 1442 B9R1.113 CC1(CC1)NC(=O)CO 527a_100000757604_100000210174 [0,1,0,1,0,0|2,0,0]=4 1443 B9R1.113 CC1(CO1)CC(=O)CO 1458a_100000210174_100000760498 [0,1,0,1,0,0|0,1,0]=3 1444 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,1,0,1,0,0|1,0,0]=3 1445 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,1,0,1,0,0|0,1,0]=3 1446 B9R1.113 CCC(=O)NC1(CC1)C 11a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 1447 B9R1.113 CCC(=O)NC1(CC1)C 1626a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 1448 B9R1.113 CCC(=O)NC1(CC1)C 240690a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 1449 B9R1.113 CCC(=O)NC1(CC1)C 527a_100000757604_100000210414 [0,1,0,1,0,0|2,0,0]=4 1450 B9R1.113 CNC(=O)CC1(CC1)C 11a_106832991635_100000112800 [0,1,0,1,0,0|1,0,0]=3 1451 B9R1.113 CNC(=O)CC1(CC1)C 1626a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 1452 B9R1.113 CNC(=O)CC1(CC1)C 240690a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 1453 B9R1.113 CNC(=O)CC1(CC1)C 527a_100102657272_100000112800 [0,1,0,1,0,0|1,0,0]=3 1454 B9R1.113 CNC(=O)NC1(CC1)C 2708a_100102657272_100000757604 [0,1,0,1,0,0|2,0,0]=4 1455 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100000757604_100102657272 [0,1,0,1,0,0|2,0,0]=4 1456 B9R1.113 CNC(=O)NC1(CC1)C 273464a_100102657272_100000757604 [0,1,0,1,0,0|2,0,0]=4 1457 B9R1.113 CNC(=O)NC1(CC1)C 512a_100000757604_100102657272 [0,1,0,1,0,0|2,0,0]=4 1458 B9R1.185 CC1(C[C@@H]1C(=O)CF)C 1458a_100000692687_100015361967 [0,1,0,1,0,0|1,0,0]=3 1459 B9R1.185 CCC(=O)C1CC1(F)F 1458a_100000042250_100000210202 [0,1,0,1,0,0|2,0,0]=4 1460 B9R1.185 CCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210202 [0,1,0,1,0,0|1,0,0]=3 1461 B9R1.185 CNC(=O)C1CC1(F)F 11a_106832991635_100000042250 [0,1,0,1,0,0|2,0,0]=4 1462 B9R1.185 CNC(=O)C1CC1(F)F 240690a_100102657272_100000042250 [0,1,0,1,0,0|2,0,0]=4 1463 B9R1.185 CNC(=O)C1CC1(F)F 527a_100102657272_100000042250 [0,1,0,1,0,0|2,0,0]=4 1464 B9R1.185 CNC(=O)[C@H]1CC1(C)C 11a_106832991635_100000692687 [0,1,0,1,0,0|1,0,0]=3 1465 B9R1.185 CNC(=O)[C@H]1CC1(C)C 1626a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 1466 B9R1.185 CNC(=O)[C@H]1CC1(C)C 240690a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 1467 B9R1.185 CNC(=O)[C@H]1CC1(C)C 527a_100102657272_100000692687 [0,1,0,1,0,0|1,0,0]=3 1468 B9R1.185 O=C(CF)C1CC1(F)F 1458a_100000042250_100015361967 [0,1,0,1,0,0|2,0,0]=4 1469 B9R1.169 CC(=O)C1(CC1(F)F)C 1458a_100000117325_200000210301 [0,1,0,1,0,0|2,0,0]=4 1470 B9R1.169 CC1(CC1(F)F)C(=O)[13CH3] 1458a_100000117325_200025704644 [0,1,0,1,0,0|2,0,0]=4 1471 B9R1.128 C#CC1(CC1)NC(=O)C 11a_100020639468_100015343762 [0,1,0,1,0,0|2,0,0]=4 1472 B9R1.128 C#CC1(CC1)NC(=O)C 1626a_100020639468_100015343762 [0,1,0,1,0,0|2,0,0]=4 1473 B9R1.128 C#CC1(CC1)NC(=O)C 240690a_100020639468_100015343762 [0,1,0,1,0,0|2,0,0]=4 1474 B9R1.128 CC(=O)CC1(CC1)C#N 1458a_100000070787_100000695377 [0,1,0,1,0,0|1,0,0]=3 1475 B9R1.128 CC(=O)NC1(CC1)C#N 11a_100000756336_100015343762 [0,1,0,1,0,0|2,0,0]=4 1476 B9R1.128 CC(=O)NC1(CC1)C#N 1626a_100000756336_100015343762 [0,1,0,1,0,0|2,0,0]=4 1477 B9R1.128 CC(=O)NC1(CC1)C#N 240690a_100000756336_100015343762 [0,1,0,1,0,0|2,0,0]=4 1478 B9R1.128 CC(=O)NC1(CC1)C#N 527a_100000756336_100103153847 [0,1,0,1,0,0|2,0,0]=4 1479 B9R1.128 CC(=O)NC1(CC1)CF 11a_100000054953_100015343762 [0,1,0,1,0,0|2,0,0]=4 1480 B9R1.128 CC(=O)NC1(CC1)CF 1626a_100000054953_100015343762 [0,1,0,1,0,0|2,0,0]=4 1481 B9R1.128 CC(=O)NC1(CC1)CF 240690a_100000054953_100015343762 [0,1,0,1,0,0|2,0,0]=4 1482 B9R1.128 CC(=O)NC1(CC1)CF 527a_100000054953_100103153847 [0,1,0,1,0,0|2,0,0]=4 1483 B9R1.128 CC(=O)NC1(CC1)CO 240690a_100000692850_100015343762 [0,1,0,1,0,0|1,1,0]=4 1484 B9R1.128 CC(=O)NC1(CC1)CO 527a_100000692850_100103153847 [0,1,0,1,0,0|1,1,0]=4 1485 B9R1.128 CCC1(CC1)NC(=O)C 11a_100000732774_100015343762 [0,1,0,1,0,0|2,0,0]=4 1486 B9R1.128 CCC1(CC1)NC(=O)C 1626a_100000732774_100015343762 [0,1,0,1,0,0|2,0,0]=4 1487 B9R1.128 CCC1(CC1)NC(=O)C 240690a_100000732774_100015343762 [0,1,0,1,0,0|2,0,0]=4 1488 B9R1.128 CCC1(CC1)NC(=O)C 527a_100000732774_100103153847 [0,1,0,1,0,0|2,0,0]=4 1489 B9R1.128 CCC1(CO1)CC(=O)C 1458a_100000070787_200000139556 [0,1,0,1,0,0|0,1,0]=3 1490 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,1,0,1,0,0|1,0,0]=3 1491 B9R1.171 CC(=O)CC1(COC1)C 1458a_100000070787_100000066812 [0,1,0,1,0,0|0,1,0]=3 1492 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,1,0,1,0,0|2,0,0]=4 1493 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,1,0,1,0,0|2,0,0]=4 1494 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,1,0,1,0,0|2,0,0]=4 1495 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,1,0,1,0,0|2,0,0]=4 1496 B9R1.171 CC(=O)NC1(COC1)C 11a_100000732644_100015343762 [0,1,0,1,0,0|1,1,0]=4 1497 B9R1.171 CC(=O)NC1(COC1)C 1626a_100000732644_100015343762 [0,1,0,1,0,0|1,1,0]=4 1498 B9R1.171 CC(=O)NC1(COC1)C 527a_100000732644_100103153847 [0,1,0,1,0,0|1,1,0]=4 1499 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,1,0|0,0,2]=4 1500 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,1,0|0,0,2]=4 1501 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,1,0|0,0,0]=2 1502 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,1,0|0,0,0]=2 1503 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,1,0|1,0,0]=3 1504 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,1,0|1,1,0]=4 1505 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,1,0|1,0,0]=3 1506 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,1,0|1,0,0]=3 1507 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,1,0|1,0,0]=3 1508 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,1,0|1,0,0]=3 1509 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,1,0|0,1,0]=3 1510 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,1,0|0,1,0]=3 1511 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,1,0|0,0,0]=2 1512 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,0,0,1,0|2,0,0]=4 1513 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,0,0,1,0|2,0,0]=4 1514 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,0,0,1,0|2,0,0]=4 1515 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,0,0,1,0|2,0,0]=4 1516 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,1,0|1,0,0]=3 1517 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,1,0|0,1,0]=3 1518 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,1,0|0,1,0]=3 1519 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,1,0|1,1,0]=4 1520 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,1|0,0,2]=4 1521 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,1|0,0,2]=4 1522 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,1|0,0,2]=4 1523 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,0,0,0,0,1|2,0,0]=4 1524 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,0,0,0,0,1|2,0,0]=4 1525 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,0,0,0,0,1|0,0,2]=4 1526 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,0,0,0,0,1|0,0,2]=4 1527 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,0,0,0,0,1|0,0,2]=4 1528 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,0,0,0,0,1|0,0,2]=4 1529 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,0,0,0,0,1|1,0,0]=3 1530 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,0,0,0,0,1|1,0,0]=3 1531 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,0,0,0,0,1|1,0,0]=3 1532 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,0,0,0,0,1|1,0,0]=3 1533 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,0,0,0,0,1|1,0,0]=3 1534 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,0,0,0,0,1|1,0,0]=3 1535 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [1,0,0,0,0,1|1,0,1]=4 1536 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [1,0,0,0,0,1|1,0,1]=4 1537 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [1,0,0,0,0,1|1,0,1]=4 1538 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [1,0,0,0,0,1|1,0,1]=4 1539 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [1,0,0,0,0,1|1,0,1]=4 1540 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [1,0,0,0,0,1|1,0,1]=4 1541 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,1|0,0,1]=3 1542 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [1,0,0,0,0,1|2,0,0]=4 1543 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [1,0,0,0,0,1|2,0,0]=4 1544 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,0,1|0,0,1]=3 1545 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,1|0,0,1]=3 1546 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,1|0,0,1]=3 1547 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,1|0,0,0]=2 1548 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,1|0,0,0]=2 1549 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,1|0,1,0]=3 1550 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,0,1|1,0,0]=3 1551 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,0,1|1,0,0]=3 1552 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,0,0,0,1|0,1,1]=4 1553 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,0,1|0,1,1]=4 1554 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,1|0,0,0]=2 1555 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,1|0,0,0]=2 1556 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [1,0,0,0,0,1|2,0,0]=4 1557 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,0,0,0,1|0,1,1]=4 1558 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,1|0,0,0]=2 1559 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [1,0,0,0,0,1|2,0,0]=4 1560 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,0,0,0,1|0,1,1]=4 1561 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,1|0,0,0]=2 1562 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,1|0,0,0]=2 1563 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,1|0,0,0]=2 1564 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,1|0,0,0]=2 1565 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,1|0,1,0]=3 1566 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,1|0,1,0]=3 1567 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,1|0,1,0]=3 1568 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [1,0,0,0,0,1|2,0,0]=4 1569 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [1,0,0,0,0,1|2,0,0]=4 1570 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [1,0,0,0,0,1|2,0,0]=4 1571 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [1,0,0,0,0,1|2,0,0]=4 1572 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,0,0,0,0,1|1,0,0]=3 1573 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,0,1|0,1,1]=4 1574 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,0,0,0,0,1|1,0,0]=3 1575 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,0,0,0,1|0,1,1]=4 1576 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [1,0,0,0,0,1|1,0,1]=4 1577 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,0,1|0,0,1]=3 1578 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,1|0,0,0]=2 1579 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,0,0,0,1|2,0,0]=4 1580 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,0,0,0,1|2,0,0]=4 1581 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,0,0,0,1|2,0,0]=4 1582 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,0,0,0,1|2,0,0]=4 1583 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,0,0,0,1|2,0,0]=4 1584 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,0,0,0,1|2,0,0]=4 1585 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [1,0,0,0,0,1|1,0,1]=4 1586 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [1,0,0,0,0,1|1,0,1]=4 1587 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [1,0,0,0,0,1|1,0,1]=4 1588 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [1,0,0,0,0,1|1,0,1]=4 1589 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,0,0,0,0,1|1,0,1]=4 1590 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,0,0,0,0,1|1,0,1]=4 1591 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [1,0,0,0,0,1|1,0,1]=4 1592 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [1,0,0,0,0,1|1,0,1]=4 1593 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,1|1,0,0]=3 1594 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,1|1,0,0]=3 1595 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,1|1,0,0]=3 1596 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,1|1,0,0]=3 1597 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,1|1,0,0]=3 1598 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [1,0,0,0,0,1|0,0,2]=4 1599 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [1,0,0,0,0,1|0,0,2]=4 1600 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [1,0,0,0,0,1|2,0,0]=4 1601 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,1|1,0,0]=3 1602 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,1|0,0,0]=2 1603 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,1|1,0,0]=3 1604 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [1,0,0,0,0,1|2,0,0]=4 1605 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [1,0,0,0,0,1|2,0,0]=4 1606 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [1,0,0,0,0,1|1,0,1]=4 1607 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [1,0,0,0,0,1|1,0,1]=4 1608 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,0,0,0,0,1|0,0,2]=4 1609 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [1,0,0,0,0,1|2,0,0]=4 1610 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,1|1,0,0]=3 1611 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,1|1,0,0]=3 1612 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,1|0,0,0]=2 1613 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,1|1,0,0]=3 1614 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,1|1,0,0]=3 1615 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [1,0,0,0,0,1|0,0,2]=4 1616 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [1,0,0,0,0,1|0,0,2]=4 1617 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [1,0,0,0,0,1|2,0,0]=4 1618 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [1,0,0,0,0,1|1,0,1]=4 1619 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [1,0,0,0,0,1|0,0,2]=4 1620 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [1,0,0,0,0,1|0,0,2]=4 1621 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [1,0,0,0,0,1|0,0,2]=4 1622 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [1,0,0,0,0,1|0,0,2]=4 1623 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,0,0,0,0,1|0,0,2]=4 1624 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [1,0,0,0,0,1|0,0,2]=4 1625 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [1,0,0,0,0,1|0,0,2]=4 1626 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,0,1|2,0,0]=4 1627 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,0,1|2,0,0]=4 1628 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,0,1|2,0,0]=4 1629 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,0,1|2,0,0]=4 1630 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,0,1|1,0,0]=3 1631 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [1,0,0,0,0,1|2,0,0]=4 1632 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [1,0,0,0,0,1|2,0,0]=4 1633 B9R0.56 C=C(C)CCNC(C)(C)C 2230a_100000715429_100000730704 [0,0,0,0,0,2|2,0,0]=4 1634 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100000764851_100000210625 [0,0,0,0,0,2|2,0,0]=4 1635 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100015890283_100000730704 [0,0,0,0,0,2|2,0,0]=4 1636 B9R0.56 C=C(C)CCOC(C)(C)C 7a_100015890283_100000730704 [0,0,0,0,0,2|2,0,0]=4 1637 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000211941_100000730704 [0,0,0,0,0,2|2,0,0]=4 1638 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000730704_100000211941 [0,0,0,0,0,2|2,0,0]=4 1639 B9R0.56 C=C(C)CNCC(C)(C)C 2230a_100000743828_100000748629 [0,0,0,0,0,2|2,0,0]=4 1640 B9R0.56 C=C(C)CNCC(C)(C)F 2230a_100020643315_100000748629 [0,0,0,0,0,2|2,0,0]=4 1641 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [0,0,0,0,0,2|1,1,0]=4 1642 B9R0.56 C=C(C)COCC(C)(C)C 34a_100000210245_100011219605 [0,0,0,0,0,2|2,0,0]=4 1643 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000210245_100011997219 [0,0,0,0,0,2|2,0,0]=4 1644 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000716592_100000748629 [0,0,0,0,0,2|2,0,0]=4 1645 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [0,0,0,0,0,2|1,1,0]=4 1646 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100000748629_100011219605 [0,0,0,0,0,2|2,0,0]=4 1647 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100011219605_100000211660 [0,0,0,0,0,2|2,0,0]=4 1648 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100000748629_100011997219 [0,0,0,0,0,2|2,0,0]=4 1649 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100011997219_100000211660 [0,0,0,0,0,2|2,0,0]=4 1650 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [0,0,0,0,0,2|1,1,0]=4 1651 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [0,0,0,0,0,2|1,1,0]=4 1652 B9R0.56 CC(=CCNC(C)(C)C)C 2230a_100000715429_100000761012 [0,0,0,0,0,2|2,0,0]=4 1653 B9R0.56 CC(=CCNC(C)(C)C)C 34a_100000718196_100000210625 [0,0,0,0,0,2|2,0,0]=4 1654 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [0,0,0,0,0,2|2,0,0]=4 1655 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [0,0,0,0,0,2|2,0,0]=4 1656 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [0,0,0,0,0,2|2,0,0]=4 1657 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [0,0,0,0,0,2|2,0,0]=4 1658 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [0,0,0,0,0,2|2,0,0]=4 1659 B9R0.56 CC(=O)CC#C[Si](C)(C)C 1458a_100000070787_100000764098 [0,0,0,0,0,2|1,1,0]=4 1660 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,0,0,0,0,2|2,0,0]=4 1661 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,0,0,0,0,2|2,0,0]=4 1662 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,0,0,0,0,2|1,1,0]=4 1663 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,0,0,0,0,2|1,0,0]=3 1664 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,0,0,0,0,2|1,0,0]=3 1665 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [0,0,0,0,0,2|1,1,0]=4 1666 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,0,0,0,0,2|1,0,0]=3 1667 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,0,0,0,0,2|1,0,0]=3 1668 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [0,0,0,0,0,2|1,0,0]=3 1669 B9R0.56 CC(=O)COCC(C)(C)F 34a_100000211253_100011997219 [0,0,0,0,0,2|1,0,0]=3 1670 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,0,0,0,0,2|0,1,0]=3 1671 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,0,0,0,0,2|1,0,0]=3 1672 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,0,0,0,0,2|1,0,0]=3 1673 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,0,0,0,0,2|1,0,0]=3 1674 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,0,0,0,0,2|1,0,0]=3 1675 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,0,0,0,0,2|1,0,0]=3 1676 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,0,0,0,0,2|1,0,0]=3 1677 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,0,0,0,0,2|1,0,0]=3 1678 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,0,0,0,0,2|1,0,0]=3 1679 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,0,0,0,0,2|0,1,0]=3 1680 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,0,0,0,0,2|0,1,0]=3 1681 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,0,0,0,0,2|2,0,0]=4 1682 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,0,0,0,0,2|2,0,0]=4 1683 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,0,0,0,0,2|2,0,0]=4 1684 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,0,0,0,0,2|1,0,0]=3 1685 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,0,0,0,0,2|1,0,0]=3 1686 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,0,0,0,0,2|1,0,0]=3 1687 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [0,0,0,0,0,2|2,0,0]=4 1688 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,0,0,0,0,2|2,0,0]=4 1689 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [0,0,0,0,0,2|2,0,0]=4 1690 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [0,0,0,0,0,2|2,0,0]=4 1691 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [0,0,0,0,0,2|2,0,0]=4 1692 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [0,0,0,0,0,2|2,0,0]=4 1693 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [0,0,0,0,0,2|2,0,0]=4 1694 B9R0.56 CC(C)(C)NOCC(=O)O 269956a_100000106656_100000211941 [0,0,0,0,0,2|2,0,0]=4 1695 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [0,0,0,0,0,2|2,0,0]=4 1696 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [0,0,0,0,0,2|2,0,0]=4 1697 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [0,0,0,0,0,2|2,0,0]=4 1698 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [0,0,0,0,0,2|2,0,0]=4 1699 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [0,0,0,0,0,2|2,0,0]=4 1700 B9R0.56 CC(C)(F)CNCC(=O)N 2230a_100020643315_100000747473 [0,0,0,0,0,2|2,0,0]=4 1701 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,0,0,0,0,2|2,0,0]=4 1702 B9R0.56 CC(C)(F)COCC(=O)N 34a_100000716592_100000187820 [0,0,0,0,0,2|2,0,0]=4 1703 B9R0.56 CC(C)(F)COCC(=O)[O-] 34a_100000716592_100020667443 [0,0,0,0,0,2|2,0,0]=4 1704 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100000747473_100011997219 [0,0,0,0,0,2|2,0,0]=4 1705 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100011997219_100000747473 [0,0,0,0,0,2|2,0,0]=4 1706 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100011997219_100020667443 [0,0,0,0,0,2|2,0,0]=4 1707 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100020667443_100011997219 [0,0,0,0,0,2|2,0,0]=4 1708 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,0,0,0,0,2|1,1,0]=4 1709 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,0,0,0,0,2|1,1,0]=4 1710 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000747473_100000764493 [0,0,0,0,0,2|1,1,0]=4 1711 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000764493_100000747473 [0,0,0,0,0,2|1,1,0]=4 1712 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [0,0,0,0,0,2|1,1,0]=4 1713 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [0,0,0,0,0,2|1,1,0]=4 1714 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,0,0,0,0,2|2,0,0]=4