0 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,0,0,0,0,0|0,0,4]=4 7 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.53 CC(C)CC(=O)CC(F)F 1458a_100000210554_100011934356 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [0,0,0,0,0,0|2,0,0]=2 24 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [0,0,0,0,0,0|2,0,0]=2 25 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,0,0,0,0,0|2,0,0]=2 26 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [0,0,0,0,0,0|2,0,0]=2 30 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000201412_200000210301 [0,0,0,0,0,0|2,0,0]=2 31 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000747067_100000210760 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000201412_200000210301 [0,0,0,0,0,0|2,0,0]=2 33 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000747067_100000210624 [0,0,0,0,0,0|2,0,0]=2 34 B9R0.53 CC(C)CN(C)CC(C)C 270004a_100000747067_100000210432 [0,0,0,0,0,0|2,0,0]=2 35 B9R0.53 CC(C)CN(C)CC(C)C 34a_100000201412_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [0,0,0,0,0,0|3,0,0]=3 37 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [0,0,0,0,0,0|3,0,0]=3 38 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.53 CC(C)CN(C)CC(F)F 2230a_100000747067_100011934356 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.53 CC(C)CN(C)CC(F)F 269982a_100000747067_100011934356 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.53 CC(C)CN([13CH3])CC(C)C 2230a_100000201412_200025704644 [0,0,0,0,0,0|2,0,0]=2 46 B9R0.53 CC(C)CN([13CH3])CC(C)C 269982a_100000201412_200025704644 [0,0,0,0,0,0|2,0,0]=2 47 B9R0.53 CC(C)CN([13CH3])CC(C)C 34a_100000201412_200025704644 [0,0,0,0,0,0|2,0,0]=2 48 B9R0.53 CC(C)NC(=O)CN(C)C 11a_100138425928_100000750896 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100000168146_200000210301 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.53 CC(C)NC(=O)CN(C)C 2230a_100102631434_100000183996 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.53 CC(C)NC(=O)CN(C)C 240690a_100138425928_100000750896 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100000168146_200000210301 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.53 CC(C)NC(=O)CN(C)C 269982a_100102631434_100000183996 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.53 CC(C)NC(=O)CN(C)C 527a_100138425928_100000750896 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 2230a_100000168146_200025704644 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.53 CC(C)NC(=O)CN(C)[13CH3] 269982a_100000168146_200025704644 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.53 CC(C)NC(=O)C[S+](C)C 11a_100138425928_200159257847 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.53 CC(C)NC(=O)C[S+](C)C 1626a_100138425928_200159257847 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.53 CC(C)NC(=O)C[S+](C)C 240690a_100138425928_200159257847 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.53 CC(C)NC(=O)C[S+](C)C 527a_100138425928_200159257847 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.53 CC(C)NC(=O)NC(C)C 2708a_100138425928_100138425928 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.53 CC(C)NC(=O)NC(C)C 512a_100138425928_100138425928 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.53 CC(C)SC(C)CN(C)C 62a_100000210206_100020606517 [0,0,0,0,0,0|3,0,0]=3 67 B9R0.53 CC(C)SC(C)CN(C)C 62a_100020606517_100000210206 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.53 CC(CN(C)C)CN(C)C 2230a_100102631434_100015348159 [0,0,0,0,0,0|3,0,0]=3 69 B9R0.53 CC(CN(C)C)CN(C)C 269982a_100102631434_100015348159 [0,0,0,0,0,0|3,0,0]=3 70 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.53 CC(O)CN(C)CC(C)O 2230a_100000227577_100011218427 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.53 CC(O)CN(C)CC(C)O 2230a_100011218400_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.53 CC(O)CN(C)CC(C)O 269982a_100000227577_100011218427 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.53 CC(O)CN(C)CC(C)O 269982a_100011218400_200000210301 [0,0,0,0,0,0|4,0,0]=4 77 B9R0.53 CC(O)CN(C)C[C@@H](C)O 2230a_100000227577_100009817552 [0,0,0,0,0,0|4,0,0]=4 78 B9R0.53 CC(O)CN(C)C[C@@H](C)O 269982a_100000227577_100009817552 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.53 CC(O)CN([13CH3])CC(C)O 2230a_100011218400_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.53 CC(O)CN([13CH3])CC(C)O 269982a_100011218400_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [1,0,0,0,0,0|1,0,2]=4 82 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [1,0,0,0,0,0|1,0,2]=4 83 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [1,0,0,0,0,0|1,0,2]=4 84 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [1,0,0,0,0,0|3,0,0]=4 86 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [1,0,0,0,0,0|3,0,0]=4 87 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [1,0,0,0,0,0|3,0,0]=4 89 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [1,0,0,0,0,0|3,0,0]=4 92 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [1,0,0,0,0,0|3,0,0]=4 93 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [1,0,0,0,0,0|3,0,0]=4 95 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [1,0,0,0,0,0|3,0,0]=4 96 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [1,0,0,0,0,0|3,0,0]=4 97 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [1,0,0,0,0,0|3,0,0]=4 98 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [1,0,0,0,0,0|3,0,0]=4 101 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [1,0,0,0,0,0|3,0,0]=4 102 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [1,0,0,0,0,0|3,0,0]=4 103 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [1,0,0,0,0,0|3,0,0]=4 104 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [1,0,0,0,0,0|0,0,2]=3 111 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [1,0,0,0,0,0|0,0,2]=3 112 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [1,0,0,0,0,0|1,0,2]=4 113 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [1,0,0,0,0,0|1,0,2]=4 114 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [1,0,0,0,0,0|1,0,2]=4 115 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [1,0,0,0,0,0|1,0,2]=4 116 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [1,0,0,0,0,0|1,0,2]=4 117 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [1,0,0,0,0,0|1,0,2]=4 118 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [1,0,0,0,0,0|1,0,2]=4 119 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [1,0,0,0,0,0|1,0,2]=4 120 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [1,0,0,0,0,0|1,0,2]=4 121 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,0,0,0,0,0|2,0,1]=4 125 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,0,0,0,0,0|2,0,0]=3 126 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,0,0,0,0,0|2,0,0]=3 127 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,0,0,0,0,0|2,0,0]=3 128 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [1,0,0,0,0,0|2,0,0]=3 129 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [1,0,0,0,0,0|2,0,0]=3 130 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [1,0,0,0,0,0|2,0,0]=3 131 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,0,0,0,0,0|2,0,0]=3 132 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,0,0,0,0,0|2,0,0]=3 133 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,0,0,0,0,0|2,0,0]=3 134 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [1,0,0,0,0,0|2,0,0]=3 135 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [1,0,0,0,0,0|2,0,0]=3 136 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [1,0,0,0,0,0|2,0,0]=3 137 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [1,0,0,0,0,0|2,0,0]=3 138 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [1,0,0,0,0,0|2,0,0]=3 139 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [1,0,0,0,0,0|2,0,0]=3 140 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [1,0,0,0,0,0|2,0,0]=3 141 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [1,0,0,0,0,0|3,0,0]=4 145 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [1,0,0,0,0,0|3,0,0]=4 146 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [1,0,0,0,0,0|1,0,2]=4 148 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [1,0,0,0,0,0|1,0,2]=4 149 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [1,0,0,0,0,0|1,0,2]=4 150 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [1,0,0,0,0,0|2,0,0]=3 151 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [1,0,0,0,0,0|2,0,0]=3 152 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,0,0,0,0,0|2,0,0]=3 153 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,0,0,0,0,0|2,0,0]=3 154 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,0,0,0,0,0|2,0,0]=3 155 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [1,0,0,0,0,0|2,0,0]=3 157 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.5 CN(C)C[C@@H](O)CC#N 2230a_100102631434_100000001066 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.5 CNCC(C)CN(C)C 2230a_106832991635_100015348159 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.5 CNCC(C)CN(C)C 7a_106832991635_100015348159 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [1,0,0,0,0,0|1,0,2]=4 163 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [1,0,0,0,0,0|3,0,0]=4 164 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [1,0,0,0,0,0|3,0,0]=4 165 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [1,0,0,0,0,0|3,0,0]=4 166 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [1,0,0,0,0,0|3,0,0]=4 167 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.5 COCC(O)CN(C)C 2230a_100000739405_200000210301 [1,0,0,0,0,0|2,0,0]=3 169 B8R0.5 COCC(O)CN(C)C 269982a_100000739405_200000210301 [1,0,0,0,0,0|2,0,0]=3 170 B8R0.5 COCC(O)CN(C)[13CH3] 2230a_100000739405_200025704644 [1,0,0,0,0,0|2,0,0]=3 171 B8R0.5 COCC(O)CN(C)[13CH3] 269982a_100000739405_200025704644 [1,0,0,0,0,0|2,0,0]=3 172 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [1,0,0,0,0,0|3,0,0]=4 173 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [1,0,0,0,0,0|3,0,0]=4 174 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [1,0,0,0,0,0|3,0,0]=4 175 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [1,0,0,0,0,0|3,0,0]=4 176 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [1,0,0,0,0,0|1,0,2]=4 178 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [1,0,0,0,0,0|3,0,0]=4 179 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [1,0,0,0,0,0|3,0,0]=4 180 B8R0.5 CSCN(C)CC(C)C 2230a_100000747067_100011218213 [1,0,0,0,0,0|3,0,0]=4 181 B8R0.5 CSCN(C)CC(C)C 269982a_100000747067_100011218213 [1,0,0,0,0,0|3,0,0]=4 182 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [1,0,0,0,0,0|1,0,2]=4 183 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,0,0,0,0,0|1,0,2]=4 185 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,0,0,0,0,0|1,0,2]=4 186 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [1,0,0,0,0,0|1,0,2]=4 187 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [1,0,0,0,0,0|1,0,2]=4 188 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [1,0,0,0,0,0|1,0,2]=4 189 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [1,0,0,0,0,0|1,0,2]=4 190 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [1,0,0,0,0,0|1,0,2]=4 191 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [1,0,0,0,0,0|1,0,2]=4 192 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [1,0,0,0,0,0|1,0,2]=4 193 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [1,0,0,0,0,0|1,0,2]=4 194 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,0,0,0,0,0|1,0,2]=4 195 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,0,0,0,0,0|1,0,2]=4 196 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [1,0,0,0,0,0|1,0,2]=4 197 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [1,0,0,0,0,0|1,0,2]=4 198 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [1,0,0,0,0,0|1,0,2]=4 199 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [1,0,0,0,0,0|1,0,2]=4 200 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [1,0,0,0,0,0|1,0,2]=4 201 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [1,0,0,0,0,0|1,0,2]=4 202 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [1,0,0,0,0,0|1,0,2]=4 203 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,0,0,0,0,0|1,0,1]=3 204 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,0,0,0,0,0|1,0,1]=3 205 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,0,0,0,0,0|2,0,1]=4 206 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,0,0,0,0,0|2,0,1]=4 209 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,0,0,0,0,0|2,0,1]=4 210 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,0,0,0,0,0|2,0,1]=4 211 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,0,0,0,0,0|2,0,1]=4 212 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,0,0,0,0,0|2,0,1]=4 213 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,0,0,0,0,0|2,0,1]=4 214 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,0,0,0,0,0|2,0,1]=4 218 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [1,0,0,0,0,0|2,0,0]=3 221 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [1,0,0,0,0,0|3,0,0]=4 222 B8R0.28 CC(C)C=NNC(C)C 4a_100000741168_100000210432 [1,0,0,0,0,0|2,0,1]=4 223 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,0,0,0,0,0|1,0,1]=3 224 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [1,0,0,0,0,0|1,0,0]=2 225 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [1,0,0,0,0,0|1,0,0]=2 226 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [1,0,0,0,0,0|1,0,0]=2 227 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [1,0,0,0,0,0|1,0,0]=2 228 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [1,0,0,0,0,0|1,0,0]=2 229 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [1,0,0,0,0,0|1,0,0]=2 230 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [1,0,0,0,0,0|1,0,0]=2 231 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [1,0,0,0,0,0|1,0,0]=2 232 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [1,0,0,0,0,0|1,0,0]=2 233 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [1,0,0,0,0,0|1,0,0]=2 234 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [1,0,0,0,0,0|1,0,0]=2 235 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [1,0,0,0,0,0|1,0,0]=2 236 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [1,0,0,0,0,0|2,0,0]=3 237 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [1,0,0,0,0,0|2,0,0]=3 238 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [1,0,0,0,0,0|2,0,0]=3 239 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [1,0,0,0,0,0|2,0,0]=3 240 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [1,0,0,0,0,0|2,0,0]=3 241 B8R0.28 CC(C)CNCC(F)F 2230a_100000210953_100011934356 [1,0,0,0,0,0|3,0,0]=4 242 B8R0.28 CC(C)CNCC(F)F 270004a_100000765723_100000210432 [1,0,0,0,0,0|3,0,0]=4 243 B8R0.28 CC(C)CNCC(F)F 34a_100000210953_100011934356 [1,0,0,0,0,0|3,0,0]=4 244 B8R0.28 CC(C)CNCC(F)F 34a_100000765723_100000210624 [1,0,0,0,0,0|3,0,0]=4 245 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [1,0,0,0,0,0|2,0,0]=3 246 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [1,0,0,0,0,0|2,0,0]=3 247 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,0,0,0,0,0|2,0,1]=4 248 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [1,0,0,0,0,0|2,0,0]=3 249 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [1,0,0,0,0,0|1,0,0]=2 250 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [1,0,0,0,0,0|2,0,0]=3 251 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [1,0,0,0,0,0|2,0,0]=3 252 B8R0.28 CC(C)COCC(F)F 34a_100000210257_100011934356 [1,0,0,0,0,0|3,0,0]=4 253 B8R0.28 CC(C)COCC(F)F 34a_100000743014_100000210624 [1,0,0,0,0,0|3,0,0]=4 254 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [1,0,0,0,0,0|2,0,0]=3 255 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [1,0,0,0,0,0|2,0,0]=3 256 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [1,0,0,0,0,0|2,0,0]=3 257 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [1,0,0,0,0,0|1,0,0]=2 258 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [1,0,0,0,0,0|2,0,0]=3 259 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [1,0,0,0,0,0|2,0,0]=3 260 B8R0.28 CC(C)CSCC(F)F 62a_100000210624_100011934356 [1,0,0,0,0,0|3,0,0]=4 261 B8R0.28 CC(C)CSCC(F)F 62a_100011934356_100000210760 [1,0,0,0,0,0|3,0,0]=4 262 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [1,0,0,0,0,0|2,0,0]=3 263 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [1,0,0,0,0,0|2,0,0]=3 264 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [1,0,0,0,0,0|2,0,0]=3 265 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [1,0,0,0,0,0|2,0,0]=3 266 B8R0.28 CC(C)OCCC(F)F 34a_100103093639_100000210206 [1,0,0,0,0,0|3,0,0]=4 267 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [1,0,0,0,0,0|2,0,0]=3 268 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [1,0,0,0,0,0|2,0,0]=3 269 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [1,0,0,0,0,0|2,0,0]=3 270 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [1,0,0,0,0,0|2,0,0]=3 271 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [1,0,0,0,0,0|2,0,0]=3 272 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [1,0,0,0,0,0|2,0,0]=3 273 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [1,0,0,0,0,0|2,0,0]=3 274 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [1,0,0,0,0,0|2,0,0]=3 275 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [1,0,0,0,0,0|2,0,0]=3 276 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [1,0,0,0,0,0|3,0,0]=4 277 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [1,0,0,0,0,0|2,0,0]=3 278 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [1,0,0,0,0,0|2,0,0]=3 279 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [1,0,0,0,0,0|2,0,0]=3 280 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [1,0,0,0,0,0|2,0,0]=3 281 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [1,0,0,0,0,0|2,0,0]=3 282 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [1,0,0,0,0,0|2,0,0]=3 283 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [1,0,0,0,0,0|2,0,0]=3 284 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [1,0,0,0,0,0|2,0,0]=3 285 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [1,0,0,0,0,0|3,0,0]=4 286 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [1,0,0,0,0,0|3,0,0]=4 287 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [1,0,0,0,0,0|3,0,0]=4 288 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [1,0,0,0,0,0|3,0,0]=4 289 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [1,0,0,0,0,0|3,0,0]=4 290 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [1,0,0,0,0,0|3,0,0]=4 291 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [1,0,0,0,0,0|3,0,0]=4 292 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [1,0,0,0,0,0|3,0,0]=4 293 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [1,0,0,0,0,0|3,0,0]=4 294 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [1,0,0,0,0,0|3,0,0]=4 295 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [1,0,0,0,0,0|3,0,0]=4 296 B8R0.28 CN(C)CCCN(C)C 269982a_100000225831_200000210301 [1,0,0,0,0,0|2,0,0]=3 297 B8R0.28 CN(C)CCCN(C)C 269982a_100102631434_100000757444 [1,0,0,0,0,0|2,0,0]=3 298 B8R0.28 CN(C)CCCN(C)[13CH3] 269982a_100000225831_200025704644 [1,0,0,0,0,0|2,0,0]=3 299 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [1,0,0,0,0,0|3,0,0]=4 300 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [1,0,0,0,0,0|3,0,0]=4 301 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [1,0,0,0,0,0|3,0,0]=4 302 B10R0.13 CC(C)C(=O)C(C)CN(C)C 1458a_200015186601_100000210206 [0,1,0,0,0,0|2,0,1]=4 303 B10R0.13 CC(C)C(C)N(C)C[C@@H](C)O 2230a_100000228512_100009817552 [0,1,0,0,0,0|3,0,0]=4 304 B10R0.13 CC(C)C(C)N(C)C[C@@H](C)O 269982a_100000228512_100009817552 [0,1,0,0,0,0|3,0,0]=4 305 B10R0.13 CC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000210624 [0,1,0,0,0,0|0,0,2]=3 306 B10R0.13 CC(C)CC(=O)N(C)C(C)C 11a_200000211004_100000210554 [0,1,0,0,0,0|1,0,2]=4 307 B10R0.13 CC(C)CC(=O)N(C)C(C)C 1626a_200000211004_100000210554 [0,1,0,0,0,0|1,0,2]=4 308 B10R0.13 CC(C)CC(=O)N(C)C(C)C 240690a_200000211004_100000210554 [0,1,0,0,0,0|1,0,2]=4 309 B10R0.13 CC(C)CC(=O)N(C)C(C)C 527a_200000211004_100000210554 [0,1,0,0,0,0|1,0,2]=4 310 B10R0.13 CC(C)CC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210624 [0,1,0,0,0,0|1,0,2]=4 311 B10R0.13 CC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210624 [0,1,0,0,0,0|0,0,2]=3 312 B10R0.13 CC(C)CC(C)C(=O)C(C)C 1458a_100000210198_100000731052 [0,1,0,0,0,0|1,0,1]=3 313 B10R0.13 CC(C)CC(C)C(=O)C(C)F 1458a_100000062450_100000731052 [0,1,0,0,0,0|2,0,1]=4 314 B10R0.13 CC(C)CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000731052 [0,1,0,0,0,0|2,0,1]=4 315 B10R0.13 CC(C)CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000731052 [0,1,0,0,0,0|2,0,1]=4 316 B10R0.13 CC(C)CC(C)N(C)C(C)C 2230a_100000745462_100000210206 [0,1,0,0,0,0|2,0,0]=3 317 B10R0.13 CC(C)CC(C)N(C)C(C)C 269982a_100000745462_100000210206 [0,1,0,0,0,0|2,0,0]=3 318 B10R0.13 CC(C)CC(C)N(C)C(C)C 269982a_200000211004_100000731052 [0,1,0,0,0,0|2,0,0]=3 319 B10R0.13 CC(C)CN(C)C(=O)C(C)C 11a_100000747067_100000210198 [0,1,0,0,0,0|2,0,1]=4 320 B10R0.13 CC(C)CN(C)C(=O)C(C)C 1626a_100000747067_100000210198 [0,1,0,0,0,0|2,0,1]=4 321 B10R0.13 CC(C)CN(C)C(=O)C(C)C 240690a_100000747067_100000210198 [0,1,0,0,0,0|2,0,1]=4 322 B10R0.13 CC(C)CN(C)C(=O)C(C)C 527a_100000747067_100000210198 [0,1,0,0,0,0|2,0,1]=4 323 B10R0.13 CC(C)CN(C)C(C)C(C)C 2230a_100000228512_100000210760 [0,1,0,0,0,0|2,0,0]=3 324 B10R0.13 CC(C)CN(C)C(C)C(C)C 269982a_100000228512_100000210624 [0,1,0,0,0,0|2,0,0]=3 325 B10R0.13 CC(C)CN(C)C(C)C(C)C 270004a_100000228512_100000210432 [0,1,0,0,0,0|2,0,0]=3 326 B10R0.13 CC(C)C[C@H](O)C(=O)C(C)C 1458a_100012027011_100000210206 [0,1,0,0,0,0|0,0,1]=2 327 B10R0.13 CC(C)C[C@H](O)C(=O)N(C)C 1626a_100102631434_100012027011 [0,1,0,0,0,0|1,0,1]=3 328 B10R0.13 CC(C)C[C@H](O)C(=O)N(C)C 240690a_100102631434_100012027011 [0,1,0,0,0,0|1,0,1]=3 329 B10R0.13 CC(C)N(C)C(C)CN(C)C 269982a_200000211004_100020606517 [0,1,0,0,0,0|3,0,0]=4 330 B10R0.13 CC(C)NC(=O)C(C)C(C)C 11a_100138425928_100000755409 [0,1,0,0,0,0|1,0,2]=4 331 B10R0.13 CC(C)NC(=O)C(C)C(C)C 1626a_100138425928_100000755409 [0,1,0,0,0,0|1,0,2]=4 332 B10R0.13 CC(C)NC(=O)C(C)C(C)C 240690a_100138425928_100000755409 [0,1,0,0,0,0|1,0,2]=4 333 B10R0.13 CC(C)NC(=O)C(C)C(C)C 527a_100138425928_100000755409 [0,1,0,0,0,0|1,0,2]=4 334 B10R0.13 CC(C)NC(=O)[C@H](O)C(C)C 240690a_100138425928_100000691806 [0,1,0,0,0,0|1,0,2]=4 335 B10R0.13 CC(C)NC(C)C(=O)C(C)C 2230a_100138425928_100009893295 [0,1,0,0,0,0|2,0,1]=4 336 B10R0.13 CC(C)SC(C)C(=O)C(C)C 62a_100000210206_100009893295 [0,1,0,0,0,0|2,0,1]=4 337 B10R0.13 CC(C)SC(C)C(=O)C(C)C 62a_100009893295_100000210206 [0,1,0,0,0,0|2,0,1]=4 338 B10R0.13 CC(O)CC(=O)C(C)C(C)C 1458a_100000755409_100011218427 [0,1,0,0,0,0|1,0,2]=4 339 B10R0.13 CC(O)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100011218427 [0,1,0,0,0,0|1,0,2]=4 340 B10R0.13 CC(O)CN(C)C(C)C(C)C 2230a_100000228512_100011218427 [0,1,0,0,0,0|3,0,0]=4 341 B10R0.13 CC(O)CN(C)C(C)C(C)C 269982a_100000228512_100011218427 [0,1,0,0,0,0|3,0,0]=4 342 B10R0.31 CC(=O)CC(C)CC(C)(C)C 1458a_100000239893_200000210301 [0,1,0,0,0,0|2,0,1]=4 343 B10R0.31 CC(=O)CC(O)C[N+](C)(C)C 1458a_100000070787_100000032816 [0,1,0,0,0,0|2,0,1]=4 344 B10R0.31 CC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_200000210301 [0,1,0,0,0,0|2,0,1]=4 345 B10R0.31 CC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000210624 [0,1,0,0,0,0|0,0,2]=3 346 B10R0.31 CC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000210624 [0,1,0,0,0,0|0,0,2]=3 347 B10R0.31 CC(C)CC(=O)C[N+](C)(C)C 1458a_100000033712_100000210624 [0,1,0,0,0,0|1,0,2]=4 348 B10R0.31 CC(C)CC(=O)C[Si](C)(C)C 1458a_100000210554_100000233785 [0,1,0,0,0,0|0,1,2]=4 349 B10R0.31 CC(C)CC(=O)C[Si](C)(C)C 1458a_100011218504_100000210624 [0,1,0,0,0,0|0,1,2]=4 350 B10R0.31 CC(C)CC(=O)NC(C)(C)C 11a_100000715429_100000210554 [0,1,0,0,0,0|1,0,2]=4 351 B10R0.31 CC(C)CC(=O)NC(C)(C)C 1626a_100000715429_100000210554 [0,1,0,0,0,0|1,0,2]=4 352 B10R0.31 CC(C)CC(=O)NC(C)(C)C 240690a_100000715429_100000210554 [0,1,0,0,0,0|1,0,2]=4 353 B10R0.31 CC(C)CC(=O)NC(C)(C)C 527a_100000715429_100000210554 [0,1,0,0,0,0|1,0,2]=4 354 B10R0.31 CC(C)CC(C)NC(C)(C)C 2230a_100000715429_100000731052 [0,1,0,0,0,0|2,0,0]=3 355 B10R0.31 CC(C)CC(C)OC(C)(C)C 34a_100000211805_100000210625 [0,1,0,0,0,0|2,0,0]=3 356 B10R0.31 CC(C)CC(C)OC(C)(C)C 34a_100015890283_100000731052 [0,1,0,0,0,0|2,0,0]=3 357 B10R0.31 CC(C)CC(C)OC(C)(C)C 7a_100015890283_100000731052 [0,1,0,0,0,0|2,0,0]=3 358 B10R0.31 CC(C)CC(C)SC(C)(C)C 62a_100000211941_100000731052 [0,1,0,0,0,0|2,0,0]=3 359 B10R0.31 CC(C)CC(C)SC(C)(C)C 62a_100000731052_100000211941 [0,1,0,0,0,0|2,0,0]=3 360 B10R0.31 CC(C)CN(C)CC(C)(C)C 2230a_100000742839_100000210760 [0,1,0,0,0,0|2,0,0]=3 361 B10R0.31 CC(C)CN(C)CC(C)(C)C 269982a_100000742839_100000210624 [0,1,0,0,0,0|2,0,0]=3 362 B10R0.31 CC(C)CN(C)CC(C)(C)C 270004a_100000742839_100000210432 [0,1,0,0,0,0|2,0,0]=3 363 B10R0.31 CC(C)CN(C)CC(C)(C)C 270004a_100000747067_100011204126 [0,1,0,0,0,0|2,0,0]=3 364 B10R0.31 CC(C)CN(C)CC(C)(C)O 2230a_100000755907_100000210760 [0,1,0,0,0,0|2,0,0]=3 365 B10R0.31 CC(C)CN(C)CC(C)(C)O 269982a_100000755907_100000210624 [0,1,0,0,0,0|2,0,0]=3 366 B10R0.31 CC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000210432 [0,1,0,0,0,0|2,0,0]=3 367 B10R0.31 CC(C)CN(C)C[N+](C)(C)C 269982a_100000747067_200000036245 [0,1,0,0,0,0|3,0,0]=4 368 B10R0.31 CC(C)CN(C)C[Si](C)(C)C 2230a_100000747067_100000037933 [0,1,0,0,0,0|2,1,0]=4 369 B10R0.31 CC(C)CN(C)C[Si](C)(C)C 269982a_200020589227_100000210624 [0,1,0,0,0,0|2,1,0]=4 370 B10R0.31 CC(C)NC(=O)CC(C)(C)C 11a_100138425928_100000211214 [0,1,0,0,0,0|1,0,2]=4 371 B10R0.31 CC(C)NC(=O)CC(C)(C)C 1626a_100138425928_100000211214 [0,1,0,0,0,0|1,0,2]=4 372 B10R0.31 CC(C)NC(=O)CC(C)(C)C 240690a_100138425928_100000211214 [0,1,0,0,0,0|1,0,2]=4 373 B10R0.31 CC(C)NC(=O)CC(C)(C)C 527a_100138425928_100000211214 [0,1,0,0,0,0|1,0,2]=4 374 B10R0.31 CC(C)NC(=O)CC(C)(C)O 527a_100138425928_100000693243 [0,1,0,0,0,0|1,0,2]=4 375 B10R0.31 CC(C)N[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210206 [0,1,0,0,0,0|2,0,0]=3 376 B10R0.31 CC(C)OC(C)CC(C)(C)C 7a_200011218616_100000210206 [0,1,0,0,0,0|2,0,0]=3 377 B10R0.31 CC(CC(=O)[13CH3])CC(C)(C)C 1458a_100000239893_200025704644 [0,1,0,0,0,0|2,0,1]=4 378 B10R0.31 CC(CN(C)C)SC(C)(C)C 62a_100000211941_100020606517 [0,1,0,0,0,0|3,0,0]=4 379 B10R0.31 CC(CN(C)C)SC(C)(C)C 62a_100020606517_100000211941 [0,1,0,0,0,0|3,0,0]=4 380 B10R0.31 CC(O)CC(=O)CC(C)(C)C 1458a_100000211214_100011218427 [0,1,0,0,0,0|1,0,2]=4 381 B10R0.31 CC(O)CC(=O)CC(C)(C)O 1458a_100000693243_100011218427 [0,1,0,0,0,0|1,0,2]=4 382 B10R0.31 CC(O)CN(C)CC(C)(C)C 2230a_100000742839_100011218427 [0,1,0,0,0,0|3,0,0]=4 383 B10R0.31 CC(O)CN(C)CC(C)(C)C 269982a_100000742839_100011218427 [0,1,0,0,0,0|3,0,0]=4 384 B10R0.31 CC(O)CN(C)CC(C)(C)C 270004a_100000227577_100011204126 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.31 CC(O)CN(C)CC(C)(C)O 2230a_100000755907_100011218427 [0,1,0,0,0,0|3,0,0]=4 386 B10R0.31 CC(O)CN(C)CC(C)(C)O 269982a_100000755907_100011218427 [0,1,0,0,0,0|3,0,0]=4 387 B10R0.31 CN(C)CC(O)C[N+](C)(C)C 2230a_100102631434_100000032816 [0,1,0,0,0,0|2,0,0]=3 388 B10R0.31 CN(C)CC(O)C[N+](C)(C)C 269982a_100102631434_100000032816 [0,1,0,0,0,0|2,0,0]=3 389 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)C 2230a_100000742839_100009817552 [0,1,0,0,0,0|3,0,0]=4 390 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)C 269982a_100000742839_100009817552 [0,1,0,0,0,0|3,0,0]=4 391 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)O 2230a_100000755907_100009817552 [0,1,0,0,0,0|3,0,0]=4 392 B10R0.31 C[C@@H](O)CN(C)CC(C)(C)O 269982a_100000755907_100009817552 [0,1,0,0,0,0|3,0,0]=4 393 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[13CH3] 1458a_100000004043_200025704644 [0,1,0,0,0,0|2,0,1]=4 394 B10R0.44 C#CC(C)NC(C)CC(C)C 2230a_100000707721_100000731052 [0,1,0,0,0,0|2,0,1]=4 395 B10R0.44 C#CC(C)NC(C)CC(C)C 34a_100000707721_100000731052 [0,1,0,0,0,0|2,0,1]=4 396 B10R0.44 C#CC(C)OC(C)CC(C)C 34a_100000211805_200000035995 [0,1,0,0,0,0|2,0,1]=4 397 B10R0.44 C#CC(C)SC(C)CC(C)C 62a_200000035995_100000731052 [0,1,0,0,0,0|2,0,1]=4 398 B10R0.44 C#C[C@@H](C)OC(C)CC(C)C 34a_100009815206_100000731052 [0,1,0,0,0,0|2,0,1]=4 399 B10R0.44 C#C[C@@H](C)OC(C)CC(C)C 7a_100009815206_100000731052 [0,1,0,0,0,0|2,0,1]=4 400 B10R0.44 C=CC(C)CC(=O)CC(C)C 1458a_100011934298_100000210624 [0,1,0,0,0,0|0,0,3]=4 401 B10R0.44 C=CC(C)OC(C)CC(C)C 34a_100000695699_100000731052 [0,1,0,0,0,0|2,0,1]=4 402 B10R0.44 C=CC(C)SC(C)CC(C)C 62a_100011215867_100000731052 [0,1,0,0,0,0|2,0,1]=4 403 B10R0.44 CC(C)CC(=O)C[C@@H](C)CO 1458a_100000210554_100000059175 [0,1,0,0,0,0|0,0,2]=3 404 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000210554 [0,1,0,0,0,0|1,0,2]=4 405 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000210554 [0,1,0,0,0,0|1,0,2]=4 406 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000210554 [0,1,0,0,0,0|1,0,2]=4 407 B10R0.44 CC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000210554 [0,1,0,0,0,0|1,0,2]=4 408 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000210554 [0,1,0,0,0,0|1,0,2]=4 409 B10R0.44 CC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000210554 [0,1,0,0,0,0|1,0,2]=4 410 B10R0.44 CC(C)CC(C)NC(C)C#N 2230a_100000692259_100000184139 [0,1,0,0,0,0|2,0,1]=4 411 B10R0.44 CC(C)CC(C)NC(C)C#N 2230a_100000737613_100000731052 [0,1,0,0,0,0|2,0,1]=4 412 B10R0.44 CC(C)CC(C)NC(C)CO 2230a_100000692259_100012180447 [0,1,0,0,0,0|2,0,0]=3 413 B10R0.44 CC(C)CC(C)N[C@H](C)CO 2230a_100000737577_100000731052 [0,1,0,0,0,0|2,0,0]=3 414 B10R0.44 CC(C)CC(C)OC(C)C#N 34a_100011218135_100000731052 [0,1,0,0,0,0|2,0,1]=4 415 B10R0.44 CC(C)CC(C)OC(C)C#N 7a_100000211805_100000703298 [0,1,0,0,0,0|2,0,1]=4 416 B10R0.44 CC(C)CC(C)OC(C)CF 34a_100016041109_100000731052 [0,1,0,0,0,0|2,0,0]=3 417 B10R0.44 CC(C)CC(C)OC(C)CF 7a_100016041109_100000731052 [0,1,0,0,0,0|2,0,0]=3 418 B10R0.44 CC(C)CC(C)OC(C)CN 34a_100000210904_100000731052 [0,1,0,0,0,0|2,0,0]=3 419 B10R0.44 CC(C)CC(C)OC(C)CO 34a_100000211805_100012180447 [0,1,0,0,0,0|2,0,0]=3 420 B10R0.44 CC(C)CC(C)OC(C)CO 7a_100000211805_100012180447 [0,1,0,0,0,0|2,0,0]=3 421 B10R0.44 CC(C)CC(C)SC(C)C#N 62a_100000703298_100000731052 [0,1,0,0,0,0|2,0,1]=4 422 B10R0.44 CC(C)CC(C)SC(C)C#N 62a_100000731052_100000703298 [0,1,0,0,0,0|2,0,1]=4 423 B10R0.44 CC(C)CC(C)SC(C)CO 62a_100012180447_100000731052 [0,1,0,0,0,0|2,0,0]=3 424 B10R0.44 CC(C)CC(C)S[C@H](C)CO 62a_100000731052_100016084084 [0,1,0,0,0,0|2,0,0]=3 425 B10R0.44 CC(C)CC(C)S[C@H](C)CO 62a_100016084084_100000731052 [0,1,0,0,0,0|2,0,0]=3 426 B10R0.44 CC(C)CN(C)CC(O)CO 2230a_100000747067_100011219619 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.44 CC(C)CN(C)CC(O)CO 2230a_100011216503_100000210760 [0,1,0,0,0,0|3,0,0]=4 428 B10R0.44 CC(C)CN(C)CC(O)CO 269982a_100011216503_100000210624 [0,1,0,0,0,0|3,0,0]=4 429 B10R0.44 CC(C)CN(C)CC(O)CO 270004a_100011216503_100000210432 [0,1,0,0,0,0|3,0,0]=4 430 B10R0.44 CC(C)CN(C)C[C@@H](C)CO 2230a_100000747067_100000059175 [0,1,0,0,0,0|2,0,0]=3 431 B10R0.44 CC(C)CN(C)C[C@@H](C)CO 269982a_100000747067_100000059175 [0,1,0,0,0,0|2,0,0]=3 432 B10R0.44 CC(C)CN(C)C[C@@H](O)CF 2230a_100000747067_100015614560 [0,1,0,0,0,0|3,0,0]=4 433 B10R0.44 CC(C)CN(C)C[C@@H](O)CO 2230a_100000747067_100009815848 [0,1,0,0,0,0|3,0,0]=4 434 B10R0.44 CC(CN(C)C)S[C@H](C)CO 62a_100016084084_100020606517 [0,1,0,0,0,0|3,0,0]=4 435 B10R0.44 CC(CN(C)C)S[C@H](C)CO 62a_100020606517_100016084084 [0,1,0,0,0,0|3,0,0]=4 436 B10R0.44 CC(CO)SC(C)CN(C)C 62a_100012180447_100020606517 [0,1,0,0,0,0|3,0,0]=4 437 B10R0.44 CC(O)CN(C)C[C@@H](C)CO 2230a_100000227577_100000059175 [0,1,0,0,0,0|3,0,0]=4 438 B10R0.44 CC(O)CN(C)C[C@@H](C)CO 269982a_100000227577_100000059175 [0,1,0,0,0,0|3,0,0]=4 439 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,1,0,0,0,0|0,0,2]=3 440 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,1,0,0,0,0|0,0,2]=3 441 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,1,0,0,0,0|1,0,2]=4 442 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,1,0,0,0,0|1,0,2]=4 443 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,1,0,0,0,0|1,0,2]=4 444 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,1,0,0,0,0|1,0,2]=4 445 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,1,0,0,0,0|1,0,2]=4 446 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,1,0,0,0,0|1,0,2]=4 447 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,1,0,0,0,0|1,0,2]=4 448 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,1,0,0,0,0|1,0,2]=4 449 B10R0.44 CCC(C)CC(C)NC(C)C 2230a_100000763565_100000210206 [0,1,0,0,0,0|2,0,0]=3 450 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000747067_100000748023 [0,1,0,0,0,0|2,0,0]=3 451 B10R0.44 CCC(C)CN(C)CC(C)C 2230a_100000753921_100000210760 [0,1,0,0,0,0|2,0,0]=3 452 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000747067_100000748023 [0,1,0,0,0,0|2,0,0]=3 453 B10R0.44 CCC(C)CN(C)CC(C)C 269982a_100000753921_100000210624 [0,1,0,0,0,0|2,0,0]=3 454 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000747067_100000243153 [0,1,0,0,0,0|2,0,0]=3 455 B10R0.44 CCC(C)CN(C)CC(C)C 270004a_100000753921_100000210432 [0,1,0,0,0,0|2,0,0]=3 456 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000227577_100000748023 [0,1,0,0,0,0|3,0,0]=4 457 B10R0.44 CCC(C)CN(C)CC(C)O 2230a_100000753921_100011218427 [0,1,0,0,0,0|3,0,0]=4 458 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000227577_100000748023 [0,1,0,0,0,0|3,0,0]=4 459 B10R0.44 CCC(C)CN(C)CC(C)O 269982a_100000753921_100011218427 [0,1,0,0,0,0|3,0,0]=4 460 B10R0.44 CCC(C)CN(C)CC(C)O 270004a_100000227577_100000243153 [0,1,0,0,0,0|3,0,0]=4 461 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 2230a_100000753921_100009817552 [0,1,0,0,0,0|3,0,0]=4 462 B10R0.44 CCC(C)CN(C)C[C@@H](C)O 269982a_100000753921_100009817552 [0,1,0,0,0,0|3,0,0]=4 463 B10R0.44 CCC(C)NC(=O)CC(C)C 11a_100000209981_100000210554 [0,1,0,0,0,0|1,0,2]=4 464 B10R0.44 CCC(C)NC(=O)CC(C)C 1626a_100000209981_100000210554 [0,1,0,0,0,0|1,0,2]=4 465 B10R0.44 CCC(C)NC(=O)CC(C)C 240690a_100000209981_100000210554 [0,1,0,0,0,0|1,0,2]=4 466 B10R0.44 CCC(C)NC(=O)CC(C)C 527a_100000209981_100000210554 [0,1,0,0,0,0|1,0,2]=4 467 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000209981_100000731052 [0,1,0,0,0,0|2,0,0]=3 468 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000692259_100000758301 [0,1,0,0,0,0|2,0,0]=3 469 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,1,0,0,0,0|2,0,0]=3 470 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,1,0,0,0,0|2,0,0]=3 471 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,1,0,0,0,0|2,0,0]=3 472 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000731052_100000758301 [0,1,0,0,0,0|2,0,0]=3 473 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000758301_100000731052 [0,1,0,0,0,0|2,0,0]=3 474 B10R0.44 CCC(C)SC(C)CN(C)C 62a_100000758301_100020606517 [0,1,0,0,0,0|3,0,0]=4 475 B10R0.44 CCC(C)SC(C)CN(C)C 62a_100020606517_100000758301 [0,1,0,0,0,0|3,0,0]=4 476 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,1,0,0,0,0|1,0,2]=4 477 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,1,0,0,0,0|1,0,2]=4 478 B10R0.44 CCC(O)CN(C)CC(C)C 2230a_100000747067_100011218378 [0,1,0,0,0,0|3,0,0]=4 479 B10R0.44 CCC(O)CN(C)CC(C)C 269982a_100000747067_100011218378 [0,1,0,0,0,0|3,0,0]=4 480 B10R0.44 CCN(C)CC(=O)CC(C)C 1458a_100116209913_100000210624 [0,1,0,0,0,0|1,0,2]=4 481 B10R0.44 CCN(C)CC(C)CN(C)C 2230a_100000225621_100015348159 [0,1,0,0,0,0|3,0,0]=4 482 B10R0.44 CCN(C)CC(C)CN(C)C 269982a_100000225621_100015348159 [0,1,0,0,0,0|3,0,0]=4 483 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,1,0,0,0,0|0,0,2]=3 484 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,1,0,0,0,0|1,0,2]=4 485 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,1,0,0,0,0|1,0,2]=4 486 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,1,0,0,0,0|1,0,2]=4 487 B10R0.44 CC[C@H](C)CN(C)CC(C)C 2230a_100000747067_100009816398 [0,1,0,0,0,0|2,0,0]=3 488 B10R0.44 CC[C@H](C)CN(C)CC(C)C 269982a_100000747067_100009816398 [0,1,0,0,0,0|2,0,0]=3 489 B10R0.44 CC[C@H](C)CN(C)CC(C)O 2230a_100000227577_100009816398 [0,1,0,0,0,0|3,0,0]=4 490 B10R0.44 CC[C@H](C)CN(C)CC(C)O 269982a_100000227577_100009816398 [0,1,0,0,0,0|3,0,0]=4 491 B10R0.44 COC(C)SC(C)CC(C)C 62a_100000731052_100009879195 [0,1,0,0,0,0|2,0,0]=3 492 B10R0.44 COC(C)SC(C)CC(C)C 62a_100009879195_100000731052 [0,1,0,0,0,0|2,0,0]=3 493 B10R0.44 COC(C)SC(C)CN(C)C 62a_100009879195_100020606517 [0,1,0,0,0,0|3,0,0]=4 494 B10R0.44 COC(C)SC(C)CN(C)C 62a_100020606517_100009879195 [0,1,0,0,0,0|3,0,0]=4 495 B10R0.44 C[C@@H](CO)CC(=O)CN(C)C 1458a_100000750896_100000059175 [0,1,0,0,0,0|1,0,2]=4 496 B10R0.44 C[C@@H](CO)CC(=O)C[C@@H](C)O 1458a_100011933948_100000059175 [0,1,0,0,0,0|1,0,2]=4 497 B10R0.44 C[C@@H](CO)CC(=O)C[S+](C)C 1458a_200159257847_100000059175 [0,1,0,0,0,0|1,0,2]=4 498 B10R0.70 C#CC(CC(C)C)OC(C)C 34a_100011215986_100000210206 [0,1,0,0,0,0|2,0,0]=3 499 B10R0.70 C#CC(CC(C)C)OC(C)C 7a_100011215986_100000210206 [0,1,0,0,0,0|2,0,0]=3 500 B10R0.70 C=CC(CC(C)C)OC(C)C 34a_100012186643_100000210206 [0,1,0,0,0,0|2,0,0]=3 501 B10R0.70 C=CC(CC(C)C)OC(C)C 7a_100012186643_100000210206 [0,1,0,0,0,0|2,0,0]=3 502 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [0,1,0,0,0,0|2,0,1]=4 503 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [0,1,0,0,0,0|2,0,1]=4 504 B10R0.70 CC(C)CC(C#N)NC(C)C 2230a_100000741378_100000210206 [0,1,0,0,0,0|2,0,0]=3 505 B10R0.70 CC(C)CC(C#N)OC(C)C 34a_200011294978_100000210206 [0,1,0,0,0,0|2,0,0]=3 506 B10R0.70 CC(C)CC(C#N)OC(C)C 7a_200011294978_100000210206 [0,1,0,0,0,0|2,0,0]=3 507 B10R0.70 CC(C)CC(CC(C)C)N[13CH3] 2230a_100000751966_200025704644 [0,1,0,0,0,0|1,0,0]=2 508 B10R0.70 CC(C)CC(CC(C)C)O[13CH3] 34a_100011219621_200025704644 [0,1,0,0,0,0|0,0,0]=1 509 B10R0.70 CC(C)CC(CC(C)C)O[13CH3] 7a_100011219621_200025704644 [0,1,0,0,0,0|0,0,0]=1 510 B10R0.70 CC(C)CN(CF)CC(C)C 269982a_100000201412_100015361967 [0,1,0,0,0,0|2,0,0]=3 511 B10R0.70 CC(C)CN(CF)CC(C)C 34a_100000201412_100015361967 [0,1,0,0,0,0|2,0,0]=3 512 B10R0.70 CC(C)C[C@@H](CO)NC(C)C 2230a_100011830311_100000210206 [0,1,0,0,0,0|1,0,0]=2 513 B10R0.70 CC(C)C[C@@H](CO)NC(C)C 34a_100011830311_100000210206 [0,1,0,0,0,0|1,0,0]=2 514 B10R0.70 CCN(CC(C)C)CC(C)C 2230a_100000201412_100000210202 [0,1,0,0,0,0|2,0,0]=3 515 B10R0.70 CCN(CC(C)C)CC(C)C 2230a_100000738554_100000210760 [0,1,0,0,0,0|2,0,0]=3 516 B10R0.70 CCN(CC(C)C)CC(C)C 269982a_100000201412_100000204670 [0,1,0,0,0,0|2,0,0]=3 517 B10R0.70 CCN(CC(C)C)CC(C)C 269982a_100000738554_100000210624 [0,1,0,0,0,0|2,0,0]=3 518 B10R0.70 CCN(CC(C)C)CC(C)C 270004a_100000738554_100000210432 [0,1,0,0,0,0|2,0,0]=3 519 B10R0.70 CCN(CC(C)C)CC(C)C 34a_100000201412_100000210202 [0,1,0,0,0,0|2,0,0]=3 520 B10R0.70 CCN(CC(C)C)CC(C)O 2230a_100000738554_100011218427 [0,1,0,0,0,0|3,0,0]=4 521 B10R0.70 CCN(CC(C)C)CC(C)O 269982a_100000738554_100011218427 [0,1,0,0,0,0|3,0,0]=4 522 B10R0.70 CCN(CC(C)C)C[C@@H](C)O 2230a_100000738554_100009817552 [0,1,0,0,0,0|3,0,0]=4 523 B10R0.70 CCN(CC(C)C)C[C@@H](C)O 269982a_100000738554_100009817552 [0,1,0,0,0,0|3,0,0]=4 524 B10R0.70 CCN(CC(C)C)C[C@H](C)O 2230a_100000729506_100000210760 [0,1,0,0,0,0|3,0,0]=4 525 B10R0.70 CCN(CC(C)C)C[C@H](C)O 269982a_100000729506_100000210624 [0,1,0,0,0,0|3,0,0]=4 526 B10R0.70 CCN(CC(C)C)C[C@H](C)O 270004a_100000729506_100000210432 [0,1,0,0,0,0|3,0,0]=4 527 B10R0.70 CNC(CC(C)C)CC(C)C 2230a_100000751966_200000210301 [0,1,0,0,0,0|1,0,0]=2 528 B10R0.70 COC(CC(C)C)CC(C)C 34a_100011219621_200000210301 [0,1,0,0,0,0|0,0,0]=1 529 B10R0.70 COC(CC(C)C)CC(C)C 7a_100011219621_200000210301 [0,1,0,0,0,0|0,0,0]=1 530 B10R0.165 CC(C)CC(C)(C)NC(C)C 2230a_100011346068_100000210206 [0,1,0,0,0,0|2,0,0]=3 531 B10R0.165 CC(C)CS(=O)(=O)NC(C)C 270084a_100138425928_100000748289 [0,1,0,0,0,0|2,0,1]=4 532 B10R0.165 CC(C)CS(=O)(=O)NC(C)C 274078a_100138425928_100000748289 [0,1,0,0,0,0|2,0,1]=4 533 B10R0.165 CC(C)NC(C)(C)CN(C)C 2230a_100015183317_100000210206 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.54 CC(C)CN1CCC(C1)O 2230a_100011215560_100000210760 [0,0,0,1,0,0|3,0,0]=4 535 B10R1.54 CC(C)CN1CCC(C1)O 269982a_100011215560_100000210624 [0,0,0,1,0,0|3,0,0]=4 536 B10R1.54 CC(C)CN1CCC(C1)O 270004a_100011215560_100000210432 [0,0,0,1,0,0|3,0,0]=4 537 B10R1.54 CC(C)CN1CC[C@@H](C1)F 2230a_100015203821_100000210760 [0,0,0,1,0,0|3,0,0]=4 538 B10R1.54 CC(C)CN1CC[C@@H](C1)F 269982a_100015203821_100000210624 [0,0,0,1,0,0|3,0,0]=4 539 B10R1.54 CC(C)CN1CC[C@@H](C1)F 270004a_100015203821_100000210432 [0,0,0,1,0,0|3,0,0]=4 540 B10R1.54 CC(C)CN1CC[C@@H](C1)F 34a_100015203821_100000210624 [0,0,0,1,0,0|3,0,0]=4 541 B10R1.54 CC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000210760 [0,0,0,1,0,0|2,0,0]=3 542 B10R1.54 CC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000210624 [0,0,0,1,0,0|2,0,0]=3 543 B10R1.54 CC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000210432 [0,0,0,1,0,0|2,0,0]=3 544 B10R1.54 CC(C)CN1CC[C@H](C1)C 34a_100016987628_100000210624 [0,0,0,1,0,0|2,0,0]=3 545 B10R1.54 CC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210206 [0,0,0,1,0,0|3,0,0]=4 546 B10R1.54 CC(C)SC1CCN(C1)C 62a_100000210206_200012183744 [0,0,0,1,0,0|3,0,0]=4 547 B10R1.54 CC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218427 [0,0,0,1,0,0|3,0,0]=4 548 B10R1.54 CC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218427 [0,0,0,1,0,0|3,0,0]=4 549 B10R1.54 CC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218427 [0,0,0,1,0,0|3,0,0]=4 550 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [0,0,0,1,0,0|2,0,0]=3 551 B10R1.54 CN(C)CC1CCN(C1)C 2230a_200000755502_200000210301 [0,0,0,1,0,0|3,0,0]=4 552 B10R1.54 CN(C)CC1CCN(C1)C 269982a_100102631434_200000690779 [0,0,0,1,0,0|3,0,0]=4 553 B10R1.54 CN(C)CC1CCN(C1)C 269982a_200000755502_200000210301 [0,0,0,1,0,0|3,0,0]=4 554 B10R1.54 CN(C)CC1CCN(C1)[13CH3] 2230a_200000755502_200025704644 [0,0,0,1,0,0|3,0,0]=4 555 B10R1.54 CN(C)CC1CCN(C1)[13CH3] 269982a_200000755502_200025704644 [0,0,0,1,0,0|3,0,0]=4 556 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 2230a_100016987628_100009817552 [0,0,0,1,0,0|3,0,0]=4 557 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 269982a_100016987628_100009817552 [0,0,0,1,0,0|3,0,0]=4 558 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 34a_100016987628_100009817552 [0,0,0,1,0,0|3,0,0]=4 559 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,0,0,1,0,0|0,0,2]=3 560 B10R1.110 CC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210624 [0,0,0,1,0,0|1,0,2]=4 561 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,0,0,1,0,0|1,0,2]=4 562 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,0,0,1,0,0|1,0,2]=4 563 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,0,0,1,0,0|1,0,2]=4 564 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,0,0,1,0,0|1,0,2]=4 565 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,0,0,1,0,0|0,0,2]=3 566 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,0,0,1,0,0|0,0,2]=3 567 B10R1.268 CC(C)CC(=O)CC1CO1 1458a_100000210554_100011216344 [0,0,0,1,0,0|1,0,2]=4 568 B10R1.268 CC(C)CC(=O)CC1CS1 1458a_100000210554_100000031435 [0,0,0,1,0,0|1,0,2]=4 569 B10R1.268 CC(C)CC(=O)C[C@@H]1CO1 1458a_100000210554_100000745022 [0,0,0,1,0,0|1,0,2]=4 570 B10R1.268 CC(C)CC(=O)NC1CC1 1626a_100000212008_100000210554 [0,0,0,1,0,0|1,0,2]=4 571 B10R1.268 CC(C)CC(=O)NC1CC1 240690a_100000212008_100000210554 [0,0,0,1,0,0|1,0,2]=4 572 B10R1.268 CC(C)CC(=O)NC1CC1 527a_100000212008_100000210554 [0,0,0,1,0,0|1,0,2]=4 573 B10R1.268 CC(C)CC(C)NC1CC1 34a_100000212008_100000731052 [0,0,0,1,0,0|2,0,0]=3 574 B10R1.268 CC(C)CC(C)OC1CC1 34a_100000211805_100000211595 [0,0,0,1,0,0|2,0,0]=3 575 B10R1.268 CC(C)CC(C)SC1CC1 62a_100000731052_100000211595 [0,0,0,1,0,0|2,0,0]=3 576 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000741881_100000210760 [0,0,0,1,0,0|2,0,0]=3 577 B10R1.268 CC(C)CN(C)CC1CC1 2230a_100000747067_100000742324 [0,0,0,1,0,0|2,0,0]=3 578 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000741881_100000210624 [0,0,0,1,0,0|2,0,0]=3 579 B10R1.268 CC(C)CN(C)CC1CC1 269982a_100000747067_100000756562 [0,0,0,1,0,0|2,0,0]=3 580 B10R1.268 CC(C)CN(C)CC1CC1 270004a_100000741881_100000210432 [0,0,0,1,0,0|2,0,0]=3 581 B10R1.268 CC(C)CN(C)CC1CO1 2230a_100000747067_100011216344 [0,0,0,1,0,0|3,0,0]=4 582 B10R1.268 CC(C)CN(C)CC1CO1 269982a_100000747067_102125554688 [0,0,0,1,0,0|3,0,0]=4 583 B10R1.268 CC(C)CN(C)CC1CS1 269982a_100000747067_100000031435 [0,0,0,1,0,0|3,0,0]=4 584 B10R1.268 CC(C)CN(C)C[C@@H]1CO1 269982a_100000747067_100000745022 [0,0,0,1,0,0|3,0,0]=4 585 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,0,0,1,0,0|1,0,2]=4 586 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,0,0,1,0,0|1,0,2]=4 587 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,0,0,1,0,0|1,0,2]=4 588 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,0,0,1,0,0|1,0,2]=4 589 B10R1.268 CC(CN(C)C)SC1CC1 62a_100020606517_100000211595 [0,0,0,1,0,0|3,0,0]=4 590 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,0,0,1,0,0|1,0,2]=4 591 B10R1.268 CC(O)CN(C)CC1CC1 2230a_100000227577_100000742324 [0,0,0,1,0,0|3,0,0]=4 592 B10R1.268 CC(O)CN(C)CC1CC1 2230a_100000741881_100011218427 [0,0,0,1,0,0|3,0,0]=4 593 B10R1.268 CC(O)CN(C)CC1CC1 269982a_100000227577_100000756562 [0,0,0,1,0,0|3,0,0]=4 594 B10R1.268 CC(O)CN(C)CC1CC1 269982a_100000741881_100011218427 [0,0,0,1,0,0|3,0,0]=4 595 B10R1.268 CN(C)CC(=O)CC1CC1 1458a_100000750896_100000742324 [0,0,0,1,0,0|1,0,2]=4 596 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,0,0,1,0,0|1,0,2]=4 597 B10R1.268 C[C@@H](O)CN(C)CC1CC1 2230a_100000741881_100009817552 [0,0,0,1,0,0|3,0,0]=4 598 B10R1.268 C[C@@H](O)CN(C)CC1CC1 269982a_100000741881_100009817552 [0,0,0,1,0,0|3,0,0]=4 599 B10R1.268 C[S+](C)CC(=O)CC1CC1 1458a_200159257847_100000742324 [0,0,0,1,0,0|1,0,2]=4 600 B10R1.371 CC(C)CN1CC(C1)(C)C 2230a_100000753659_100000210760 [0,0,0,1,0,0|2,0,0]=3 601 B10R1.371 CC(C)CN1CC(C1)(C)C 269982a_100000753659_100000210624 [0,0,0,1,0,0|2,0,0]=3 602 B10R1.371 CC(C)CN1CC(C1)(C)C 270004a_100000753659_100000210432 [0,0,0,1,0,0|2,0,0]=3 603 B10R1.371 CC(C)CN1CC(C1)(C)F 2230a_100000696199_100000210760 [0,0,0,1,0,0|3,0,0]=4 604 B10R1.371 CC(C)CN1CC(C1)(C)F 269982a_100000696199_100000210624 [0,0,0,1,0,0|3,0,0]=4 605 B10R1.371 CC(C)CN1CC(C1)(C)F 270004a_100000696199_100000210432 [0,0,0,1,0,0|3,0,0]=4 606 B10R1.371 CC(C)CN1CC(C1)(C)O 2230a_100000718560_100000210760 [0,0,0,1,0,0|3,0,0]=4 607 B10R1.371 CC(C)CN1CC(C1)(C)O 269982a_100000718560_100000210624 [0,0,0,1,0,0|3,0,0]=4 608 B10R1.371 CC(C)CN1CC(C1)(C)O 270004a_100000718560_100000210432 [0,0,0,1,0,0|3,0,0]=4 609 B10R1.371 CC(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210206 [0,0,0,1,0,0|3,0,0]=4 610 B10R1.371 CC(O)CN1CC(C1)(C)C 2230a_100000753659_100011218427 [0,0,0,1,0,0|3,0,0]=4 611 B10R1.371 CC(O)CN1CC(C1)(C)C 269982a_100000753659_100011218427 [0,0,0,1,0,0|3,0,0]=4 612 B10R1.371 C[C@@H](O)CN1CC(C1)(C)C 2230a_100000753659_100009817552 [0,0,0,1,0,0|3,0,0]=4 613 B10R1.371 C[C@@H](O)CN1CC(C1)(C)C 269982a_100000753659_100009817552 [0,0,0,1,0,0|3,0,0]=4 614 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,1,0|2,0,1]=4 615 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,1,0|1,0,1]=3 616 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,0,0,0,1,0|1,0,2]=4 617 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,0,0,0,1,0|1,0,2]=4 618 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,0,0,0,1,0|1,0,2]=4 619 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,0,0,0,1,0|1,0,2]=4 620 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,0,0,0,1,0|1,0,2]=4 621 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,0,0,0,1,0|0,0,2]=3 622 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,0,0,0,1,0|0,0,2]=3 623 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,0,0,0,1,0|1,0,2]=4 624 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,0,0,0,1,0|1,0,2]=4 625 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,0,0,0,1,0|1,0,2]=4 626 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,0,0,0,1,0|1,0,2]=4 627 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,0,0,0,1,0|1,0,2]=4 628 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,0,0,0,1,0|1,0,2]=4 629 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,0,0,0,1,0|1,0,2]=4 630 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,0,0,0,1,0|2,0,0]=3 631 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,0,0,0,1,0|2,0,0]=3 632 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,0,0,0,1,0|2,0,0]=3 633 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,0,0,0,1,0|2,0,0]=3 634 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,0,0,0,1,0|2,0,0]=3 635 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,0,0,0,1,0|2,0,0]=3 636 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [0,0,0,0,1,0|2,0,0]=3 637 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [0,0,0,0,1,0|2,0,0]=3 638 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [0,0,0,0,1,0|2,0,0]=3 639 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [0,0,0,0,1,0|2,0,0]=3 640 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [0,0,0,0,1,0|2,0,0]=3 641 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [0,0,0,0,1,0|2,0,0]=3 642 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [0,0,0,0,1,0|2,0,0]=3 643 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [0,0,0,0,1,0|2,0,0]=3 644 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,1,0|1,0,1]=3 645 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,0,0,0,1,0|3,0,0]=4 646 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,0,0,0,1,0|1,0,2]=4 647 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,0,0,0,1,0|1,0,2]=4 648 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,0,0,0,1,0|1,0,2]=4 649 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,0,0,0,1,0|1,0,2]=4 650 B8R0.23 CC(C)NC(C)C(C)C 2230a_100000211541_100000210206 [0,0,0,0,1,0|2,0,0]=3 651 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,0,0,0,1,0|2,0,0]=3 652 B8R0.23 CC(CN(C)C)N(C)C 269982a_100102631434_100020606517 [0,0,0,0,1,0|3,0,0]=4 653 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,0,0,0,1,0|1,0,2]=4 654 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,0,0,0,1,0|3,0,0]=4 655 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,0,0,0,1,0|3,0,0]=4 656 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,0,0,0,1,0|3,0,0]=4 657 B10R0.96 C=C(C)CNC(C)CC(C)C 2230a_100000692259_100000748629 [0,0,0,0,0,1|1,0,2]=4 658 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000210245_100000731052 [0,0,0,0,0,1|1,0,2]=4 659 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000211805_100000748629 [0,0,0,0,0,1|1,0,2]=4 660 B10R0.96 C=C(C)COC(C)CC(C)C 7a_100000211805_100000748629 [0,0,0,0,0,1|1,0,2]=4 661 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000731052_100000211660 [0,0,0,0,0,1|1,0,2]=4 662 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000748629_100000731052 [0,0,0,0,0,1|1,0,2]=4 663 B10R0.96 CC(=CC(C)OCC(C)C)C 34a_100000717055_100000210624 [0,0,0,0,0,1|1,0,2]=4 664 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,0,0,0,0,1|0,0,3]=4 665 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,0,0,0,0,1|0,0,3]=4 666 B10R0.96 CC(=CCN(C)CC(C)C)C 2230a_100000747067_100000761012 [0,0,0,0,0,1|2,0,1]=4 667 B10R0.96 CC(=CCN(C)CC(C)C)C 269982a_100000747067_100000761012 [0,0,0,0,0,1|2,0,1]=4 668 B10R0.96 CC(=O)COC(C)CC(C)C 34a_100000211253_100000731052 [0,0,0,0,0,1|2,0,1]=4 669 B10R0.96 CC(=O)NCC(O)CN(C)C 240690a_100000737402_100015343762 [0,0,0,0,0,1|2,0,1]=4 670 B10R0.96 CC(=O)NCC(O)CN(C)C 527a_100000737402_100103153847 [0,0,0,0,0,1|2,0,1]=4 671 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,0,0,0,0,1|2,0,1]=4 672 B10R0.96 CC(C)C=CC(=O)CC(C)C 1458a_100016268746_100000210624 [0,0,0,0,0,1|0,0,3]=4 673 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,0,0,0,0,1|1,0,2]=4 674 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,0,0,0,0,1|1,0,2]=4 675 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,0,0,0,0,1|0,0,2]=3 676 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,0,0,0,0,1|0,0,2]=3 677 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,0,0,0,0,1|1,0,2]=4 678 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,0,0,0,0,1|1,0,2]=4 679 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,0,0,0,0,1|1,0,2]=4 680 B10R0.96 CC(C)CC(=O)NNC(C)C 22a_100000741168_100000210554 [0,0,0,0,0,1|1,0,2]=4 681 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000210904_100000731052 [0,0,0,0,0,1|2,0,0]=3 682 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000692259_100011218427 [0,0,0,0,0,1|2,0,0]=3 683 B10R0.96 CC(C)CC(C)NCC(C)O 34a_100000210904_100000731052 [0,0,0,0,0,1|2,0,0]=3 684 B10R0.96 CC(C)CC(C)NCC(F)F 2230a_100000692259_100011934356 [0,0,0,0,0,1|3,0,0]=4 685 B10R0.96 CC(C)CC(C)NCC(F)F 34a_100000765723_100000731052 [0,0,0,0,0,1|3,0,0]=4 686 B10R0.96 CC(C)CC(C)NC[C@@H](C)O 2230a_100000692259_100009817552 [0,0,0,0,0,1|2,0,0]=3 687 B10R0.96 CC(C)CC(C)OCC(C)Br 34a_100012180447_100000731052 [0,0,0,0,0,1|2,0,0]=3 688 B10R0.96 CC(C)CC(C)OCC(C)F 34a_100015925927_100000731052 [0,0,0,0,0,1|2,0,0]=3 689 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [0,0,0,0,0,1|2,0,0]=3 690 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [0,0,0,0,0,1|2,0,0]=3 691 B10R0.96 CC(C)CC(C)OCC(F)F 34a_100000211805_100011934356 [0,0,0,0,0,1|3,0,0]=4 692 B10R0.96 CC(C)CC(C)OCC(F)F 34a_100000743014_100000731052 [0,0,0,0,0,1|3,0,0]=4 693 B10R0.96 CC(C)CC(C)OCC(F)F 7a_100000211805_100011934356 [0,0,0,0,0,1|3,0,0]=4 694 B10R0.96 CC(C)CC(C)OC[C@@H](C)Cl 34a_100016084084_100000731052 [0,0,0,0,0,1|2,0,0]=3 695 B10R0.96 CC(C)CC(C)OC[C@@H](C)N 34a_100000737577_100000731052 [0,0,0,0,0,1|2,0,0]=3 696 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [0,0,0,0,0,1|2,0,0]=3 697 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [0,0,0,0,0,1|2,0,0]=3 698 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100000731052_100011218427 [0,0,0,0,0,1|2,0,0]=3 699 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100011218427_100000731052 [0,0,0,0,0,1|2,0,0]=3 700 B10R0.96 CC(C)CC(C)SCC(F)F 62a_100000731052_100011934356 [0,0,0,0,0,1|3,0,0]=4 701 B10R0.96 CC(C)CC(C)SCC(F)F 62a_100011934356_100000731052 [0,0,0,0,0,1|3,0,0]=4 702 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100000731052_100009817552 [0,0,0,0,0,1|2,0,0]=3 703 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100009817552_100000731052 [0,0,0,0,0,1|2,0,0]=3 704 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,0,0,0,0,1|0,0,2]=3 705 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,0,0,0,0,1|0,0,2]=3 706 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,0,0,0,0,1|1,0,2]=4 707 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,0,0,0,0,1|1,0,2]=4 708 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,0,0,0,0,1|1,0,2]=4 709 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,0,0,0,0,1|1,0,2]=4 710 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,0,0,0,0,1|1,0,2]=4 711 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,0,0,0,0,1|1,0,2]=4 712 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,0,0,0,0,1|1,0,2]=4 713 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,0,0,0,0,1|1,0,2]=4 714 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138410893_100000210206 [0,0,0,0,0,1|2,0,0]=3 715 B10R0.96 CC(C)CCC(C)NC(C)C 2230a_100138425928_100011261404 [0,0,0,0,0,1|2,0,0]=3 716 B10R0.96 CC(C)CCC(C)NC(C)C 34a_100138425928_100011261404 [0,0,0,0,0,1|2,0,0]=3 717 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,0,0,0,0,1|2,0,0]=3 718 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,0,0,0,0,1|2,0,0]=3 719 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,0,0,0,0,1|2,0,0]=3 720 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100000210206_100011261404 [0,0,0,0,0,1|2,0,0]=3 721 B10R0.96 CC(C)CCC(C)SC(C)C 62a_100011261404_100000210206 [0,0,0,0,0,1|2,0,0]=3 722 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000742789_100000210760 [0,0,0,0,0,1|2,0,0]=3 723 B10R0.96 CC(C)CCN(C)CC(C)C 2230a_100000747067_100000210312 [0,0,0,0,0,1|2,0,0]=3 724 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000742789_100000210624 [0,0,0,0,0,1|2,0,0]=3 725 B10R0.96 CC(C)CCN(C)CC(C)C 269982a_100000747067_100000210312 [0,0,0,0,0,1|2,0,0]=3 726 B10R0.96 CC(C)CCN(C)CC(C)C 270004a_100000742789_100000210432 [0,0,0,0,0,1|2,0,0]=3 727 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,0,0,0,0,1|3,0,0]=4 728 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,0,0,0,0,1|3,0,0]=4 729 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,0,0,0,0,1|3,0,0]=4 730 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,0,0,0,0,1|3,0,0]=4 731 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,0,0,0,0,1|3,0,0]=4 732 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,0,0,0,0,1|3,0,0]=4 733 B10R0.96 CC(C)CN(C)CCC(C)O 2230a_100000747067_100012276601 [0,0,0,0,0,1|3,0,0]=4 734 B10R0.96 CC(C)CN(C)CCC(C)O 269982a_100000747067_100012276601 [0,0,0,0,0,1|3,0,0]=4 735 B10R0.96 CC(C)CN(C)CCN(C)C 269982a_100000225618_100000210624 [0,0,0,0,0,1|3,0,0]=4 736 B10R0.96 CC(C)CN(C)CCN(C)C 269982a_100000747067_100000755713 [0,0,0,0,0,1|3,0,0]=4 737 B10R0.96 CC(C)CN(C)CCN(C)C 270004a_100000225618_100000210432 [0,0,0,0,0,1|3,0,0]=4 738 B10R0.96 CC(C)CN(C)COC(C)C 2230a_100000747067_100000709892 [0,0,0,0,0,1|2,0,0]=3 739 B10R0.96 CC(C)CN(C)COC(C)C 269982a_100000747067_100000709892 [0,0,0,0,0,1|2,0,0]=3 740 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,0,0,0,0,1|0,0,2]=3 741 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,0,0,0,0,1|0,0,2]=3 742 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,0,0,0,0,1|0,0,2]=3 743 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,0,0,0,0,1|0,0,2]=3 744 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,0,0,0,0,1|1,0,2]=4 745 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,0,0,0,0,1|1,0,2]=4 746 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,0,0,0,0,1|1,0,2]=4 747 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,0,0,0,0,1|1,0,2]=4 748 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,0,0,0,0,1|1,0,2]=4 749 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,0,0,0,0,1|1,0,2]=4 750 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,0,0,0,0,1|1,0,2]=4 751 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,0,0,0,0,1|1,0,2]=4 752 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,0,0,0,0,1|1,0,2]=4 753 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,0,0,0,0,1|1,0,2]=4 754 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100000210953_100138425928 [0,0,0,0,0,1|1,0,2]=4 755 B10R0.96 CC(C)CNC(=O)NC(C)C 2708a_100138425928_100000210953 [0,0,0,0,0,1|1,0,2]=4 756 B10R0.96 CC(C)CNC(=O)NC(C)C 273464a_100138425928_100000210953 [0,0,0,0,0,1|1,0,2]=4 757 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100000210953_100138425928 [0,0,0,0,0,1|1,0,2]=4 758 B10R0.96 CC(C)CNC(=O)NC(C)C 512a_100138425928_100000210953 [0,0,0,0,0,1|1,0,2]=4 759 B10R0.96 CC(C)CNC(C)CC(C)C 2230a_100000210953_100000731052 [0,0,0,0,0,1|1,0,0]=2 760 B10R0.96 CC(C)CNC(C)CC(C)C 2230a_100000692259_100000210760 [0,0,0,0,0,1|1,0,0]=2 761 B10R0.96 CC(C)CNC(C)CC(C)C 270004a_100000692259_100000210432 [0,0,0,0,0,1|1,0,0]=2 762 B10R0.96 CC(C)CNC(C)CC(C)C 34a_100000210953_100000731052 [0,0,0,0,0,1|1,0,0]=2 763 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [0,0,0,0,0,1|1,0,0]=2 764 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [0,0,0,0,0,1|1,0,0]=2 765 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [0,0,0,0,0,1|1,0,0]=2 766 B10R0.96 CC(C)CSC(C)CC(C)C 62a_100000210624_100000731052 [0,0,0,0,0,1|1,0,0]=2 767 B10R0.96 CC(C)CSC(C)CC(C)C 62a_100000731052_100000210760 [0,0,0,0,0,1|1,0,0]=2 768 B10R0.96 CC(C)CSC(C)CN(C)C 62a_100000210624_100020606517 [0,0,0,0,0,1|2,0,0]=3 769 B10R0.96 CC(C)CSC(C)CN(C)C 62a_100020606517_100000210760 [0,0,0,0,0,1|2,0,0]=3 770 B10R0.96 CC(C)C[C@H](N)COC(C)C 34a_100011830311_100000210206 [0,0,0,0,0,1|1,0,0]=2 771 B10R0.96 CC(C)NC(=O)COC(C)C 11a_100138425928_100000745533 [0,0,0,0,0,1|1,0,2]=4 772 B10R0.96 CC(C)NC(=O)COC(C)C 1626a_100138425928_100000745533 [0,0,0,0,0,1|1,0,2]=4 773 B10R0.96 CC(C)NC(=O)COC(C)C 240690a_100138425928_100000745533 [0,0,0,0,0,1|1,0,2]=4 774 B10R0.96 CC(C)NC(=O)COC(C)C 34a_100000212225_100000183996 [0,0,0,0,0,1|1,0,2]=4 775 B10R0.96 CC(C)NC(=O)COC(C)C 527a_100138425928_100000745533 [0,0,0,0,0,1|1,0,2]=4 776 B10R0.96 CC(C)NC(=O)CSC(C)C 11a_100138425928_100000241585 [0,0,0,0,0,1|1,0,2]=4 777 B10R0.96 CC(C)NC(=O)CSC(C)C 1626a_100138425928_100000241585 [0,0,0,0,0,1|1,0,2]=4 778 B10R0.96 CC(C)NC(=O)CSC(C)C 240690a_100138425928_100000241585 [0,0,0,0,0,1|1,0,2]=4 779 B10R0.96 CC(C)NC(=O)CSC(C)C 527a_100138425928_100000241585 [0,0,0,0,0,1|1,0,2]=4 780 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000183996_100000210206 [0,0,0,0,0,1|1,0,2]=4 781 B10R0.96 CC(C)NC(=O)CSC(C)C 62a_100000210206_100000183996 [0,0,0,0,0,1|1,0,2]=4 782 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100000168517_100000210206 [0,0,0,0,0,1|1,0,2]=4 783 B10R0.96 CC(C)NCC(=O)NC(C)C 2230a_100138425928_100000183996 [0,0,0,0,0,1|1,0,2]=4 784 B10R0.96 CC(C)NCC(=O)NC(C)C 34a_100138425928_100000183996 [0,0,0,0,0,1|1,0,2]=4 785 B10R0.96 CC(C)NCC(=O)OC(C)C 2230a_100138425928_100011215430 [0,0,0,0,0,1|1,0,2]=4 786 B10R0.96 CC(C)NCC(=O)OC(C)C 34a_100138425928_100011215430 [0,0,0,0,0,1|1,0,2]=4 787 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,0,0,0,0,1|2,0,1]=4 788 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100000210206_100011215430 [0,0,0,0,0,1|1,0,2]=4 789 B10R0.96 CC(C)OC(=O)CSC(C)C 62a_100011215430_100000210206 [0,0,0,0,0,1|1,0,2]=4 790 B10R0.96 CC(C)OCC(=O)OC(C)C 34a_100000212225_100011215430 [0,0,0,0,0,1|1,0,2]=4 791 B10R0.96 CC(CN(C)C)SC[C@@H](C)O 62a_100009817552_100020606517 [0,0,0,0,0,1|3,0,0]=4 792 B10R0.96 CC(CN(C)C)SC[C@@H](C)O 62a_100020606517_100009817552 [0,0,0,0,0,1|3,0,0]=4 793 B10R0.96 CC(CNC(C)C)CN(C)C 2230a_100138425928_100015348159 [0,0,0,0,0,1|2,0,0]=3 794 B10R0.96 CC(CSC(C)C)CN(C)C 62a_100000210206_100015348159 [0,0,0,0,0,1|2,0,0]=3 795 B10R0.96 CC(CSC(C)C)CN(C)C 62a_100015348159_100000210206 [0,0,0,0,0,1|2,0,0]=3 796 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,0,0,0,0,1|1,0,2]=4 797 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,0,0,0,0,1|1,0,2]=4 798 B10R0.96 CC(O)CN(C)COC(C)C 2230a_100000227577_100000709892 [0,0,0,0,0,1|3,0,0]=4 799 B10R0.96 CC(O)CN(C)COC(C)C 269982a_100000227577_100000709892 [0,0,0,0,0,1|3,0,0]=4 800 B10R0.96 CC(O)CSC(C)CN(C)C 62a_100011218427_100020606517 [0,0,0,0,0,1|3,0,0]=4 801 B10R0.96 CC(O)CSC(C)CN(C)C 62a_100020606517_100011218427 [0,0,0,0,0,1|3,0,0]=4 802 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [2,0,0,0,0,0|2,0,0]=4 803 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [2,0,0,0,0,0|2,0,0]=4 804 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [2,0,0,0,0,0|2,0,0]=4 805 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [2,0,0,0,0,0|2,0,0]=4 806 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [2,0,0,0,0,0|2,0,0]=4 807 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [2,0,0,0,0,0|0,0,2]=4 808 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [2,0,0,0,0,0|0,0,2]=4 809 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [2,0,0,0,0,0|2,0,0]=4 810 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [2,0,0,0,0,0|2,0,0]=4 811 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [2,0,0,0,0,0|2,0,0]=4 812 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [2,0,0,0,0,0|2,0,0]=4 813 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [2,0,0,0,0,0|2,0,0]=4 814 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [2,0,0,0,0,0|2,0,0]=4 815 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [2,0,0,0,0,0|2,0,0]=4 816 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [2,0,0,0,0,0|2,0,0]=4 817 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [2,0,0,0,0,0|2,0,0]=4 818 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [2,0,0,0,0,0|2,0,0]=4 819 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [2,0,0,0,0,0|2,0,0]=4 820 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [2,0,0,0,0,0|2,0,0]=4 821 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [2,0,0,0,0,0|2,0,0]=4 822 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [2,0,0,0,0,0|2,0,0]=4 823 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [2,0,0,0,0,0|1,0,1]=4 824 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [2,0,0,0,0,0|1,0,1]=4 825 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [2,0,0,0,0,0|1,0,1]=4 826 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [2,0,0,0,0,0|1,0,0]=3 827 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [2,0,0,0,0,0|1,0,0]=3 828 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [2,0,0,0,0,0|2,0,0]=4 829 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [2,0,0,0,0,0|2,0,0]=4 830 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [2,0,0,0,0,0|2,0,0]=4 831 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [2,0,0,0,0,0|2,0,0]=4 832 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [2,0,0,0,0,0|2,0,0]=4 833 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [2,0,0,0,0,0|2,0,0]=4 834 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [2,0,0,0,0,0|2,0,0]=4 835 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [2,0,0,0,0,0|2,0,0]=4 836 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [2,0,0,0,0,0|2,0,0]=4 837 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [2,0,0,0,0,0|2,0,0]=4 838 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [2,0,0,0,0,0|2,0,0]=4 839 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [2,0,0,0,0,0|2,0,0]=4 840 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [2,0,0,0,0,0|2,0,0]=4 841 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [2,0,0,0,0,0|2,0,0]=4 842 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [2,0,0,0,0,0|2,0,0]=4 843 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [2,0,0,0,0,0|2,0,0]=4 844 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [2,0,0,0,0,0|2,0,0]=4 845 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [2,0,0,0,0,0|2,0,0]=4 846 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [2,0,0,0,0,0|2,0,0]=4 847 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [2,0,0,0,0,0|2,0,0]=4 848 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [2,0,0,0,0,0|2,0,0]=4 849 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [2,0,0,0,0,0|2,0,0]=4 850 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [2,0,0,0,0,0|2,0,0]=4 851 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [2,0,0,0,0,0|2,0,0]=4 852 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [2,0,0,0,0,0|2,0,0]=4 853 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [2,0,0,0,0,0|2,0,0]=4 854 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [2,0,0,0,0,0|1,0,0]=3 855 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [2,0,0,0,0,0|1,0,0]=3 856 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [2,0,0,0,0,0|1,0,0]=3 857 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [2,0,0,0,0,0|1,0,0]=3 858 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [2,0,0,0,0,0|1,0,0]=3 859 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [2,0,0,0,0,0|1,0,0]=3 860 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [2,0,0,0,0,0|2,0,0]=4 861 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [2,0,0,0,0,0|2,0,0]=4 862 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [2,0,0,0,0,0|2,0,0]=4 863 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [2,0,0,0,0,0|2,0,0]=4 864 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [2,0,0,0,0,0|2,0,0]=4 865 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [2,0,0,0,0,0|2,0,0]=4 866 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [2,0,0,0,0,0|2,0,0]=4 867 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [2,0,0,0,0,0|2,0,0]=4 868 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [2,0,0,0,0,0|2,0,0]=4 869 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [2,0,0,0,0,0|2,0,0]=4 870 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [2,0,0,0,0,0|2,0,0]=4 871 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [2,0,0,0,0,0|2,0,0]=4 872 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [2,0,0,0,0,0|2,0,0]=4 873 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [2,0,0,0,0,0|2,0,0]=4 874 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [2,0,0,0,0,0|2,0,0]=4 875 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [2,0,0,0,0,0|2,0,0]=4 876 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [2,0,0,0,0,0|2,0,0]=4 877 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [2,0,0,0,0,0|2,0,0]=4 878 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [2,0,0,0,0,0|2,0,0]=4 879 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [2,0,0,0,0,0|2,0,0]=4 880 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [2,0,0,0,0,0|2,0,0]=4 881 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [2,0,0,0,0,0|2,0,0]=4 882 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [2,0,0,0,0,0|2,0,0]=4 883 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [2,0,0,0,0,0|2,0,0]=4 884 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [2,0,0,0,0,0|2,0,0]=4 885 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [2,0,0,0,0,0|2,0,0]=4 886 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [2,0,0,0,0,0|2,0,0]=4 887 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [2,0,0,0,0,0|2,0,0]=4 888 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [2,0,0,0,0,0|2,0,0]=4 889 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [2,0,0,0,0,0|2,0,0]=4 890 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [2,0,0,0,0,0|2,0,0]=4 891 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [2,0,0,0,0,0|2,0,0]=4 892 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [2,0,0,0,0,0|2,0,0]=4 893 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [2,0,0,0,0,0|2,0,0]=4 894 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [2,0,0,0,0,0|2,0,0]=4 895 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [2,0,0,0,0,0|2,0,0]=4 896 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [2,0,0,0,0,0|2,0,0]=4 897 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [2,0,0,0,0,0|2,0,0]=4 898 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [2,0,0,0,0,0|2,0,0]=4 899 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [2,0,0,0,0,0|2,0,0]=4 900 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [2,0,0,0,0,0|2,0,0]=4 901 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [2,0,0,0,0,0|2,0,0]=4 902 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [2,0,0,0,0,0|2,0,0]=4 903 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [2,0,0,0,0,0|2,0,0]=4 904 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [2,0,0,0,0,0|2,0,0]=4 905 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [2,0,0,0,0,0|2,0,0]=4 906 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [2,0,0,0,0,0|2,0,0]=4 907 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [2,0,0,0,0,0|2,0,0]=4 908 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [2,0,0,0,0,0|2,0,0]=4 909 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [2,0,0,0,0,0|2,0,0]=4 910 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [2,0,0,0,0,0|2,0,0]=4 911 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,1]=4 912 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,1]=4 913 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,1]=4 914 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|1,0,0]=3 915 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|1,0,0]=3 916 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|1,0,0]=3 917 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|1,0,0]=3 918 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|1,0,0]=3 919 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|1,0,0]=3 920 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [2,0,0,0,0,0|1,0,0]=3 921 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [2,0,0,0,0,0|1,0,0]=3 922 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [2,0,0,0,0,0|1,0,0]=3 923 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [2,0,0,0,0,0|1,0,0]=3 924 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [2,0,0,0,0,0|1,0,0]=3 925 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [2,0,0,0,0,0|1,0,0]=3 926 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [2,0,0,0,0,0|1,0,0]=3 927 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [2,0,0,0,0,0|1,0,0]=3 928 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [2,0,0,0,0,0|1,0,0]=3 929 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [2,0,0,0,0,0|1,0,0]=3 930 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [2,0,0,0,0,0|1,0,0]=3 931 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [2,0,0,0,0,0|1,0,0]=3 932 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 933 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [2,0,0,0,0,0|2,0,0]=4 934 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [2,0,0,0,0,0|2,0,0]=4 935 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [2,0,0,0,0,0|1,0,0]=3 936 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [2,0,0,0,0,0|1,0,0]=3 937 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [2,0,0,0,0,0|2,0,0]=4 938 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [2,0,0,0,0,0|2,0,0]=4 939 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [2,0,0,0,0,0|2,0,0]=4 940 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [2,0,0,0,0,0|2,0,0]=4 941 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [2,0,0,0,0,0|2,0,0]=4 942 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [2,0,0,0,0,0|1,0,0]=3 943 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [2,0,0,0,0,0|1,0,0]=3 944 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [2,0,0,0,0,0|2,0,0]=4 945 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [2,0,0,0,0,0|2,0,0]=4 946 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [2,0,0,0,0,0|2,0,0]=4 947 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [2,0,0,0,0,0|2,0,0]=4 948 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [2,0,0,0,0,0|1,0,0]=3 949 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [2,0,0,0,0,0|1,0,0]=3 950 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [2,0,0,0,0,0|2,0,0]=4 951 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [2,0,0,0,0,0|2,0,0]=4 952 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [2,0,0,0,0,0|2,0,0]=4 953 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [2,0,0,0,0,0|2,0,0]=4 954 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [2,0,0,0,0,0|1,0,0]=3 955 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [2,0,0,0,0,0|1,0,0]=3 956 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [2,0,0,0,0,0|1,0,0]=3 957 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [2,0,0,0,0,0|2,0,0]=4 958 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [2,0,0,0,0,0|2,0,0]=4 959 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [2,0,0,0,0,0|2,0,0]=4 960 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [2,0,0,0,0,0|2,0,0]=4 961 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [2,0,0,0,0,0|2,0,0]=4 962 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [2,0,0,0,0,0|2,0,0]=4 963 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [2,0,0,0,0,0|2,0,0]=4 964 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [2,0,0,0,0,0|1,0,0]=3 965 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [2,0,0,0,0,0|1,0,0]=3 966 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [2,0,0,0,0,0|2,0,0]=4 967 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [2,0,0,0,0,0|2,0,0]=4 968 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [2,0,0,0,0,0|2,0,0]=4 969 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [2,0,0,0,0,0|2,0,0]=4 970 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [2,0,0,0,0,0|2,0,0]=4 971 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [2,0,0,0,0,0|2,0,0]=4 972 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [2,0,0,0,0,0|2,0,0]=4 973 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [2,0,0,0,0,0|2,0,0]=4 974 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [2,0,0,0,0,0|2,0,0]=4 975 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [2,0,0,0,0,0|2,0,0]=4 976 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [2,0,0,0,0,0|2,0,0]=4 977 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [2,0,0,0,0,0|2,0,0]=4 978 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [2,0,0,0,0,0|2,0,0]=4 979 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [2,0,0,0,0,0|2,0,0]=4 980 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [2,0,0,0,0,0|2,0,0]=4 981 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [2,0,0,0,0,0|2,0,0]=4 982 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [2,0,0,0,0,0|1,0,0]=3 983 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [2,0,0,0,0,0|1,0,0]=3 984 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [2,0,0,0,0,0|1,0,0]=3 985 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [2,0,0,0,0,0|1,0,0]=3 986 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [2,0,0,0,0,0|1,0,0]=3 987 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [2,0,0,0,0,0|2,0,0]=4 988 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [2,0,0,0,0,0|2,0,0]=4 989 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [2,0,0,0,0,0|2,0,0]=4 990 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [2,0,0,0,0,0|2,0,0]=4 991 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [2,0,0,0,0,0|2,0,0]=4 992 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [2,0,0,0,0,0|2,0,0]=4 993 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [2,0,0,0,0,0|2,0,0]=4 994 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [2,0,0,0,0,0|2,0,0]=4 995 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [2,0,0,0,0,0|2,0,0]=4 996 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [2,0,0,0,0,0|2,0,0]=4 997 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [2,0,0,0,0,0|2,0,0]=4 998 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [2,0,0,0,0,0|2,0,0]=4 999 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [2,0,0,0,0,0|2,0,0]=4 1000 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [2,0,0,0,0,0|2,0,0]=4 1001 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [2,0,0,0,0,0|1,0,0]=3 1002 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [2,0,0,0,0,0|1,0,0]=3 1003 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [2,0,0,0,0,0|1,0,0]=3 1004 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [2,0,0,0,0,0|2,0,0]=4 1005 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [2,0,0,0,0,0|2,0,0]=4 1006 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [2,0,0,0,0,0|2,0,0]=4 1007 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [2,0,0,0,0,0|2,0,0]=4 1008 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [2,0,0,0,0,0|2,0,0]=4 1009 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [2,0,0,0,0,0|2,0,0]=4 1010 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [2,0,0,0,0,0|2,0,0]=4 1011 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [2,0,0,0,0,0|2,0,0]=4 1012 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [2,0,0,0,0,0|2,0,0]=4 1013 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [2,0,0,0,0,0|2,0,0]=4 1014 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [2,0,0,0,0,0|2,0,0]=4 1015 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [2,0,0,0,0,0|2,0,0]=4 1016 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [2,0,0,0,0,0|2,0,0]=4 1017 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [2,0,0,0,0,0|2,0,0]=4 1018 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [2,0,0,0,0,0|2,0,0]=4 1019 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [2,0,0,0,0,0|2,0,0]=4 1020 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [2,0,0,0,0,0|2,0,0]=4 1021 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [2,0,0,0,0,0|2,0,0]=4 1022 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [2,0,0,0,0,0|2,0,0]=4 1023 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [2,0,0,0,0,0|2,0,0]=4 1024 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [2,0,0,0,0,0|2,0,0]=4 1025 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [2,0,0,0,0,0|2,0,0]=4 1026 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [2,0,0,0,0,0|2,0,0]=4 1027 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [2,0,0,0,0,0|2,0,0]=4 1028 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [2,0,0,0,0,0|1,0,0]=3 1029 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [2,0,0,0,0,0|1,0,0]=3 1030 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [2,0,0,0,0,0|2,0,0]=4 1031 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [2,0,0,0,0,0|2,0,0]=4 1032 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [2,0,0,0,0,0|2,0,0]=4 1033 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [2,0,0,0,0,0|2,0,0]=4 1034 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [2,0,0,0,0,0|2,0,0]=4 1035 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [2,0,0,0,0,0|2,0,0]=4 1036 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [2,0,0,0,0,0|2,0,0]=4 1037 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [2,0,0,0,0,0|2,0,0]=4 1038 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [2,0,0,0,0,0|2,0,0]=4 1039 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [2,0,0,0,0,0|2,0,0]=4 1040 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [2,0,0,0,0,0|2,0,0]=4 1041 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [2,0,0,0,0,0|2,0,0]=4 1042 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [2,0,0,0,0,0|2,0,0]=4 1043 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [2,0,0,0,0,0|2,0,0]=4 1044 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [2,0,0,0,0,0|2,0,0]=4 1045 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [2,0,0,0,0,0|2,0,0]=4 1046 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [2,0,0,0,0,0|2,0,0]=4 1047 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [2,0,0,0,0,0|2,0,0]=4 1048 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [2,0,0,0,0,0|2,0,0]=4 1049 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [2,0,0,0,0,0|2,0,0]=4 1050 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|0,0,2]=4 1051 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [2,0,0,0,0,0|2,0,0]=4 1052 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [2,0,0,0,0,0|2,0,0]=4 1053 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [2,0,0,0,0,0|2,0,0]=4 1054 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [2,0,0,0,0,0|2,0,0]=4 1055 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [2,0,0,0,0,0|2,0,0]=4 1056 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [2,0,0,0,0,0|2,0,0]=4 1057 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [2,0,0,0,0,0|2,0,0]=4 1058 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [2,0,0,0,0,0|2,0,0]=4 1059 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [2,0,0,0,0,0|2,0,0]=4 1060 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [2,0,0,0,0,0|2,0,0]=4 1061 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [2,0,0,0,0,0|2,0,0]=4 1062 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [2,0,0,0,0,0|2,0,0]=4 1063 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [2,0,0,0,0,0|2,0,0]=4 1064 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [2,0,0,0,0,0|2,0,0]=4 1065 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [2,0,0,0,0,0|2,0,0]=4 1066 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [2,0,0,0,0,0|2,0,0]=4 1067 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|2,0,0]=4 1068 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|2,0,0]=4 1069 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|2,0,0]=4 1070 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [2,0,0,0,0,0|2,0,0]=4 1071 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [2,0,0,0,0,0|2,0,0]=4 1072 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1073 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [2,0,0,0,0,0|2,0,0]=4 1074 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [2,0,0,0,0,0|2,0,0]=4 1075 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [2,0,0,0,0,0|2,0,0]=4 1076 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1077 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [2,0,0,0,0,0|2,0,0]=4 1078 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [2,0,0,0,0,0|2,0,0]=4 1079 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [2,0,0,0,0,0|2,0,0]=4 1080 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [2,0,0,0,0,0|2,0,0]=4 1081 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [2,0,0,0,0,0|2,0,0]=4 1082 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [2,0,0,0,0,0|2,0,0]=4 1083 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [2,0,0,0,0,0|2,0,0]=4 1084 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [2,0,0,0,0,0|2,0,0]=4 1085 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [2,0,0,0,0,0|2,0,0]=4 1086 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [2,0,0,0,0,0|2,0,0]=4 1087 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [2,0,0,0,0,0|2,0,0]=4 1088 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [2,0,0,0,0,0|2,0,0]=4 1089 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [2,0,0,0,0,0|2,0,0]=4 1090 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [2,0,0,0,0,0|2,0,0]=4 1091 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|0,0,2]=4 1092 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|0,0,2]=4 1093 B9R0.4 CC(C)CC(C)NCCF 2230a_100000692259_100011217306 [1,1,0,0,0,0|2,0,0]=4 1094 B9R0.4 CC(C)CC(C)NCCF 34a_100000724931_100000731052 [1,1,0,0,0,0|2,0,0]=4 1095 B9R0.4 CC(C)CC(C)NCCO 2230a_100000692259_100000211926 [1,1,0,0,0,0|2,0,0]=4 1096 B9R0.4 CC(C)CC(C)NCCO 2230a_100016997473_100000731052 [1,1,0,0,0,0|2,0,0]=4 1097 B9R0.4 CC(C)CC(C)NCCO 34a_100016990907_100000731052 [1,1,0,0,0,0|2,0,0]=4 1098 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [1,1,0,0,0,0|2,0,0]=4 1099 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [1,1,0,0,0,0|2,0,0]=4 1100 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [1,1,0,0,0,0|2,0,0]=4 1101 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [1,1,0,0,0,0|2,0,0]=4 1102 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [1,1,0,0,0,0|2,0,0]=4 1103 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [1,1,0,0,0,0|2,0,0]=4 1104 B9R0.4 CC(C)CC(C)SCCF 62a_100000731052_100011217306 [1,1,0,0,0,0|2,0,0]=4 1105 B9R0.4 CC(C)CC(C)SCCF 62a_100011217306_100000731052 [1,1,0,0,0,0|2,0,0]=4 1106 B9R0.4 CC(C)CC(C)SCCO 62a_100000211926_100000731052 [1,1,0,0,0,0|2,0,0]=4 1107 B9R0.4 CC(C)CC(C)SCCO 62a_100000731052_100000211926 [1,1,0,0,0,0|2,0,0]=4 1108 B9R0.4 CC(C)CN(C)CCCF 2230a_100000747067_100011934791 [1,1,0,0,0,0|2,0,0]=4 1109 B9R0.4 CC(C)CN(C)CCCF 269982a_100000747067_100011934791 [1,1,0,0,0,0|2,0,0]=4 1110 B9R0.4 CC(C)CN(C)CCCO 2230a_100000213112_100000210760 [1,1,0,0,0,0|2,0,0]=4 1111 B9R0.4 CC(C)CN(C)CCCO 2230a_100000747067_100000230001 [1,1,0,0,0,0|2,0,0]=4 1112 B9R0.4 CC(C)CN(C)CCCO 269982a_100000213112_100000210624 [1,1,0,0,0,0|2,0,0]=4 1113 B9R0.4 CC(C)CN(C)CCCO 269982a_100000747067_100011215043 [1,1,0,0,0,0|2,0,0]=4 1114 B9R0.4 CC(C)CN(C)CCCO 270004a_100000213112_100000210432 [1,1,0,0,0,0|2,0,0]=4 1115 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [1,1,0,0,0,0|1,0,0]=3 1116 B9R0.4 CC(C)C[C@H](N)COCF 34a_100011830311_100015361967 [1,1,0,0,0,0|2,0,0]=4 1117 B9R0.4 CC(C)OC(C)CCCCl 34a_200000718107_100000210206 [1,1,0,0,0,0|2,0,0]=4 1118 B9R0.4 CC(C)OC(C)CCCCl 7a_200000718107_100000210206 [1,1,0,0,0,0|2,0,0]=4 1119 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|0,0,2]=4 1120 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|0,0,2]=4 1121 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [1,1,0,0,0,0|2,0,0]=4 1122 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [1,1,0,0,0,0|2,0,0]=4 1123 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [1,1,0,0,0,0|2,0,0]=4 1124 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,1,0,0,0,0|2,0,0]=4 1125 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,1,0,0,0,0|2,0,0]=4 1126 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,1,0,0,0,0|2,0,0]=4 1127 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [1,1,0,0,0,0|2,0,0]=4 1128 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [1,1,0,0,0,0|2,0,0]=4 1129 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [1,1,0,0,0,0|2,0,0]=4 1130 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 1131 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [1,1,0,0,0,0|2,0,0]=4 1132 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [1,1,0,0,0,0|2,0,0]=4 1133 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [1,1,0,0,0,0|2,0,0]=4 1134 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,1,0,0,0,0|0,0,2]=4 1135 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,1,0,0,0,0|0,0,2]=4 1136 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,1,0,0,0,0|0,0,2]=4 1137 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,1,0,0,0,0|0,0,2]=4 1138 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [1,1,0,0,0,0|1,0,0]=3 1139 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [1,1,0,0,0,0|1,0,0]=3 1140 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [1,1,0,0,0,0|1,0,0]=3 1141 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [1,1,0,0,0,0|1,0,0]=3 1142 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [1,1,0,0,0,0|1,0,0]=3 1143 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [1,1,0,0,0,0|1,0,0]=3 1144 B9R0.4 CCCSC(C)CN(C)C 62a_100000210303_100020606517 [1,1,0,0,0,0|2,0,0]=4 1145 B9R0.4 CCCSC(C)CN(C)C 62a_100020606517_100000210303 [1,1,0,0,0,0|2,0,0]=4 1146 B9R0.4 CCNCC(C)CN(C)C 2230a_100015525214_100015348159 [1,1,0,0,0,0|2,0,0]=4 1147 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|0,0,2]=4 1148 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [1,1,0,0,0,0|2,0,0]=4 1149 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [1,1,0,0,0,0|2,0,0]=4 1150 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [1,1,0,0,0,0|2,0,0]=4 1151 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [1,1,0,0,0,0|1,0,0]=3 1152 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|0,0,2]=4 1153 B9R0.4 CCSCC(C)CN(C)C 62a_100000210202_100015348159 [1,1,0,0,0,0|2,0,0]=4 1154 B9R0.4 CCSCC(C)CN(C)C 62a_100015348159_100000210202 [1,1,0,0,0,0|2,0,0]=4 1155 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|0,0,2]=4 1156 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|0,0,2]=4 1157 B9R0.4 COCCN(C)CC(C)C 2230a_100000743101_100000210760 [1,1,0,0,0,0|2,0,0]=4 1158 B9R0.4 COCCN(C)CC(C)C 2230a_100000747067_100011201679 [1,1,0,0,0,0|2,0,0]=4 1159 B9R0.4 COCCN(C)CC(C)C 269982a_100000743101_100000210624 [1,1,0,0,0,0|2,0,0]=4 1160 B9R0.4 COCCN(C)CC(C)C 269982a_100000747067_100000233755 [1,1,0,0,0,0|2,0,0]=4 1161 B9R0.4 COCCN(C)CC(C)C 270004a_100000743101_100000210432 [1,1,0,0,0,0|2,0,0]=4 1162 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [1,1,0,0,0,0|1,0,0]=3 1163 B9R0.4 COCNC(C)CC(C)C 2230a_100000692259_100000766300 [1,1,0,0,0,0|2,0,0]=4 1164 B9R0.4 COCSC(C)CC(C)C 62a_100000731052_100000766300 [1,1,0,0,0,0|2,0,0]=4 1165 B9R0.4 COCSC(C)CC(C)C 62a_100000766300_100000731052 [1,1,0,0,0,0|2,0,0]=4 1166 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|0,0,2]=4 1167 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|0,0,2]=4 1168 B9R0.4 CSCCN(C)CC(C)C 2230a_100000686725_100000210760 [1,1,0,0,0,0|2,0,0]=4 1169 B9R0.4 CSCCN(C)CC(C)C 2230a_100000747067_100000751147 [1,1,0,0,0,0|2,0,0]=4 1170 B9R0.4 CSCCN(C)CC(C)C 269982a_100000686725_100000210624 [1,1,0,0,0,0|2,0,0]=4 1171 B9R0.4 CSCCN(C)CC(C)C 269982a_100000747067_100000212216 [1,1,0,0,0,0|2,0,0]=4 1172 B9R0.4 CSCCN(C)CC(C)C 270004a_100000686725_100000210432 [1,1,0,0,0,0|2,0,0]=4 1173 B9R0.4 CSCNC(C)CC(C)C 2230a_100000692259_100011218213 [1,1,0,0,0,0|2,0,0]=4 1174 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [1,1,0,0,0,0|2,0,0]=4 1175 B9R0.4 CSCSC(C)CC(C)C 62a_100000731052_100011218213 [1,1,0,0,0,0|2,0,0]=4 1176 B9R0.4 CSCSC(C)CC(C)C 62a_100011218213_100000731052 [1,1,0,0,0,0|2,0,0]=4 1177 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [1,1,0,0,0,0|0,0,2]=4 1178 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [1,1,0,0,0,0|0,0,2]=4 1179 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [1,1,0,0,0,0|1,0,1]=4 1180 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [1,1,0,0,0,0|1,0,1]=4 1181 B9R0.6 CCCC(C)C(C)N(C)C 270004a_100102631434_100011216282 [1,1,0,0,0,0|2,0,0]=4 1182 B9R0.6 CCCC(C)N(C)C(C)C 269982a_200000211004_100000766640 [1,1,0,0,0,0|2,0,0]=4 1183 B9R0.6 CCCC(C)N(C)C(C)C 270004a_200000211004_100000211909 [1,1,0,0,0,0|2,0,0]=4 1184 B9R0.6 CCCN(C)C(C)C(C)C 2230a_100000228512_100000210303 [1,1,0,0,0,0|2,0,0]=4 1185 B9R0.6 CCCN(C)C(C)C(C)C 2230a_200015185082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1186 B9R0.6 CCCN(C)C(C)C(C)C 269982a_100000228512_100000210303 [1,1,0,0,0,0|2,0,0]=4 1187 B9R0.6 CCCN(C)C(C)C(C)C 269982a_200015185082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1188 B9R0.6 CCCN([13CH3])C(C)C(C)C 2230a_200015185082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1189 B9R0.6 CCCN([13CH3])C(C)C(C)C 269982a_200015185082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1190 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [1,1,0,0,0,0|0,0,1]=3 1191 B9R0.6 CCC[C@H](O)C(=O)N(C)C 240690a_100102631434_100009822183 [1,1,0,0,0,0|1,0,1]=4 1192 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [1,1,0,0,0,0|2,0,0]=4 1193 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [1,1,0,0,0,0|2,0,0]=4 1194 B9R0.14 C#CC(CCC)OC(C)C 34a_200011217317_100000210206 [1,1,0,0,0,0|2,0,0]=4 1195 B9R0.14 C#CC(CCC)OC(C)C 7a_200011217317_100000210206 [1,1,0,0,0,0|2,0,0]=4 1196 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [1,1,0,0,0,0|2,0,0]=4 1197 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [1,1,0,0,0,0|2,0,0]=4 1198 B9R0.14 C=CC(CCC)OC(C)C 34a_100011216692_100000210206 [1,1,0,0,0,0|2,0,0]=4 1199 B9R0.14 C=CC(CCC)OC(C)C 7a_100011216692_100000210206 [1,1,0,0,0,0|2,0,0]=4 1200 B9R0.14 CC(C)CC(CN)CO[13CH3] 34a_200000723437_200025704644 [1,1,0,0,0,0|2,0,0]=4 1201 B9R0.14 CC(C)CC(CO)CN[13CH3] 34a_200000723437_200025704644 [1,1,0,0,0,0|1,0,0]=3 1202 B9R0.14 CC(C)C[C@@H](CCO)N[13CH3] 2230a_100161151251_200025704644 [1,1,0,0,0,0|2,0,0]=4 1203 B9R0.14 CC(C)C[C@@H](CO)NCF 34a_100011830311_100015361967 [1,1,0,0,0,0|2,0,0]=4 1204 B9R0.14 CC=CC(CC(C)C)OC 34a_100020643927_200000210301 [1,1,0,0,0,0|0,0,2]=4 1205 B9R0.14 CC=CC(CC(C)C)OC 7a_100020643927_200000210301 [1,1,0,0,0,0|0,0,2]=4 1206 B9R0.14 CC=CC(CC(C)C)O[13CH3] 34a_100020643927_200025704644 [1,1,0,0,0,0|0,0,2]=4 1207 B9R0.14 CC=CC(CC(C)C)O[13CH3] 7a_100020643927_200025704644 [1,1,0,0,0,0|0,0,2]=4 1208 B9R0.14 CCC(COC)CC(C)C 34a_100012186708_200000210301 [1,1,0,0,0,0|2,0,0]=4 1209 B9R0.14 CCC(COC)CC(C)C 7a_100012186708_200000210301 [1,1,0,0,0,0|2,0,0]=4 1210 B9R0.14 CCC(CO[13CH3])CC(C)C 34a_100012186708_200025704644 [1,1,0,0,0,0|2,0,0]=4 1211 B9R0.14 CCC(CO[13CH3])CC(C)C 7a_100012186708_200025704644 [1,1,0,0,0,0|2,0,0]=4 1212 B9R0.14 CCCC(C#N)OC(C)C 34a_100000686963_100000210206 [1,1,0,0,0,0|2,0,0]=4 1213 B9R0.14 CCCC(C#N)OC(C)C 7a_100000686963_100000210206 [1,1,0,0,0,0|2,0,0]=4 1214 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [1,1,0,0,0,0|0,0,0]=2 1215 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [1,1,0,0,0,0|0,0,0]=2 1216 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [1,1,0,0,0,0|0,0,0]=2 1217 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [1,1,0,0,0,0|0,0,0]=2 1218 B9R0.14 CCCC(CC)NC(C)C 2230a_100000747048_100000210206 [1,1,0,0,0,0|2,0,0]=4 1219 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [1,1,0,0,0,0|2,0,0]=4 1220 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [1,1,0,0,0,0|2,0,0]=4 1221 B9R0.14 CCCC(CC)SC(C)C 62a_100000210206_100011219200 [1,1,0,0,0,0|2,0,0]=4 1222 B9R0.14 CCCC(CC)SC(C)C 62a_100011219200_100000210206 [1,1,0,0,0,0|2,0,0]=4 1223 B9R0.14 CCCN(CC)CC(C)C 2230a_100000226822_100000210760 [1,1,0,0,0,0|2,0,0]=4 1224 B9R0.14 CCCN(CC)CC(C)C 2230a_100000738554_100000210303 [1,1,0,0,0,0|2,0,0]=4 1225 B9R0.14 CCCN(CC)CC(C)C 269982a_100000226822_100000210624 [1,1,0,0,0,0|2,0,0]=4 1226 B9R0.14 CCCN(CC)CC(C)C 269982a_100000738554_100000210303 [1,1,0,0,0,0|2,0,0]=4 1227 B9R0.14 CCCN(CC)CC(C)C 270004a_100000226822_100000210432 [1,1,0,0,0,0|2,0,0]=4 1228 B9R0.14 CCC[C@@H](CO)NC(C)C 2230a_100000732646_100000210206 [1,1,0,0,0,0|1,0,0]=3 1229 B9R0.14 CCC[C@@H](CO)NC(C)C 34a_100000732646_100000210206 [1,1,0,0,0,0|1,0,0]=3 1230 B9R0.14 CCNC(C#N)CC(C)C 2230a_100000741378_100000210202 [1,1,0,0,0,0|2,0,0]=4 1231 B9R0.14 CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210202 [1,1,0,0,0,0|1,0,0]=3 1232 B9R0.14 CCN[C@H](CO)CC(C)C 34a_100011830311_100000210202 [1,1,0,0,0,0|1,0,0]=3 1233 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [1,1,0,0,0,0|2,0,0]=4 1234 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [1,1,0,0,0,0|2,0,0]=4 1235 B9R0.14 CNCC(CO)CC(C)C 34a_200000723437_200000210301 [1,1,0,0,0,0|1,0,0]=3 1236 B9R0.14 CN[C@H](CCO)CC(C)C 2230a_100161151251_200000210301 [1,1,0,0,0,0|2,0,0]=4 1237 B9R0.14 COCC(CN)CC(C)C 34a_200000723437_200000210301 [1,1,0,0,0,0|2,0,0]=4 1238 B9R0.14 COCC(CO)NC(C)C 2230a_100000724102_100000210206 [1,1,0,0,0,0|2,0,0]=4 1239 B9R0.14 COCC(CO)NC(C)C 34a_100000724102_100000210206 [1,1,0,0,0,0|2,0,0]=4 1240 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [1,1,0,0,0,0|1,0,1]=4 1241 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [1,1,0,0,0,0|1,0,1]=4 1242 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [1,1,0,0,0,0|0,0,1]=3 1243 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [1,1,0,0,0,0|0,0,2]=4 1244 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [1,1,0,0,0,0|0,0,2]=4 1245 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [1,1,0,0,0,0|2,0,0]=4 1246 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000741768_100000210760 [1,1,0,0,0,0|2,0,0]=4 1247 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000747067_100000758301 [1,1,0,0,0,0|2,0,0]=4 1248 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000741768_100000210624 [1,1,0,0,0,0|2,0,0]=4 1249 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000747067_100000758301 [1,1,0,0,0,0|2,0,0]=4 1250 B9R0.23 CCC(C)N(C)CC(C)C 270004a_100000741768_100000210432 [1,1,0,0,0,0|2,0,0]=4 1251 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [1,1,0,0,0,0|0,0,2]=4 1252 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000225621_100000731052 [1,1,0,0,0,0|2,0,0]=4 1253 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000745462_100000210202 [1,1,0,0,0,0|2,0,0]=4 1254 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000225621_100000731052 [1,1,0,0,0,0|2,0,0]=4 1255 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000745462_100000204670 [1,1,0,0,0,0|2,0,0]=4 1256 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [1,1,0,0,0,0|1,0,1]=4 1257 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [1,1,0,0,0,0|1,0,1]=4 1258 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|0,0,2]=4 1259 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|0,0,2]=4 1260 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|0,0,2]=4 1261 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|0,0,2]=4 1262 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [1,1,0,0,0,0|2,0,0]=4 1263 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [1,1,0,0,0,0|2,0,0]=4 1264 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [1,1,0,0,0,0|2,0,0]=4 1265 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [1,1,0,0,0,0|2,0,0]=4 1266 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [1,1,0,0,0,0|2,0,0]=4 1267 B9R0.34 CCCC(C)NC(C)CO 2230a_100000741246_100012180447 [1,1,0,0,0,0|2,0,0]=4 1268 B9R0.34 CCCC(C)N[C@H](C)CF 270004a_100102880703_100000211909 [1,1,0,0,0,0|2,0,0]=4 1269 B9R0.34 CCCC(C)N[C@H](C)CO 2230a_100000737577_100000766640 [1,1,0,0,0,0|2,0,0]=4 1270 B9R0.34 CCCC(C)N[C@H](C)CO 270004a_100000737577_100000211909 [1,1,0,0,0,0|2,0,0]=4 1271 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [1,1,0,0,0,0|2,0,0]=4 1272 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [1,1,0,0,0,0|2,0,0]=4 1273 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [1,1,0,0,0,0|2,0,0]=4 1274 B9R0.34 CCCC(C)OC(C)CF 34a_100016041109_100000766640 [1,1,0,0,0,0|2,0,0]=4 1275 B9R0.34 CCCC(C)OC(C)CF 7a_100016041109_100000766640 [1,1,0,0,0,0|2,0,0]=4 1276 B9R0.34 CCCC(C)OC(C)CN 34a_100000210904_100000766640 [1,1,0,0,0,0|2,0,0]=4 1277 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [1,1,0,0,0,0|2,0,0]=4 1278 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [1,1,0,0,0,0|2,0,0]=4 1279 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [1,1,0,0,0,0|2,0,0]=4 1280 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [1,1,0,0,0,0|2,0,0]=4 1281 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [1,1,0,0,0,0|2,0,0]=4 1282 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [1,1,0,0,0,0|2,0,0]=4 1283 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [1,1,0,0,0,0|2,0,0]=4 1284 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [1,1,0,0,0,0|2,0,0]=4 1285 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [1,1,0,0,0,0|2,0,0]=4 1286 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [1,1,0,0,0,0|2,0,0]=4 1287 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [1,1,0,0,0,0|2,0,0]=4 1288 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [1,1,0,0,0,0|2,0,0]=4 1289 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [1,1,0,0,0,0|2,0,0]=4 1290 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [1,1,0,0,0,0|2,0,0]=4 1291 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [1,1,0,0,0,0|2,0,0]=4 1292 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [1,1,0,0,0,0|2,0,0]=4 1293 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [1,1,0,0,0,0|2,0,0]=4 1294 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [1,1,0,0,0,0|2,0,0]=4 1295 B9R0.34 CCN(C)CC(O)COC 2230a_100000739405_100000210202 [1,1,0,0,0,0|2,0,0]=4 1296 B9R0.34 CCN(C)CC(O)COC 269982a_100000739405_100000204670 [1,1,0,0,0,0|2,0,0]=4 1297 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [1,1,0,0,0,0|2,0,0]=4 1298 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [1,1,0,0,0,0|2,0,0]=4 1299 B9R0.34 COCC(O)CN(C)CF 269982a_100000739405_100015361967 [1,1,0,0,0,0|2,0,0]=4 1300 B9R0.44 CC(CO[13CH3])CC(C)(C)C 7a_200011215325_200025704644 [1,1,0,0,0,0|2,0,0]=4 1301 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [1,1,0,0,0,0|0,0,2]=4 1302 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [1,1,0,0,0,0|0,0,2]=4 1303 B9R0.44 CCCC(C)NC(C)(C)C 2230a_100000715429_100000766640 [1,1,0,0,0,0|2,0,0]=4 1304 B9R0.44 CCCC(C)OC(C)(C)C 34a_100000764384_100000210625 [1,1,0,0,0,0|2,0,0]=4 1305 B9R0.44 CCCC(C)OC(C)(C)C 34a_100015890283_100000766640 [1,1,0,0,0,0|2,0,0]=4 1306 B9R0.44 CCCC(C)OC(C)(C)C 7a_100015890283_100000766640 [1,1,0,0,0,0|2,0,0]=4 1307 B9R0.44 CCCC(C)SC(C)(C)C 62a_100000211941_100000766640 [1,1,0,0,0,0|2,0,0]=4 1308 B9R0.44 CCCC(C)SC(C)(C)C 62a_100000766640_100000211941 [1,1,0,0,0,0|2,0,0]=4 1309 B9R0.44 CCCN(C)CC(C)(C)C 2230a_100000742839_100000210303 [1,1,0,0,0,0|2,0,0]=4 1310 B9R0.44 CCCN(C)CC(C)(C)C 2230a_107254831479_200000210301 [1,1,0,0,0,0|2,0,0]=4 1311 B9R0.44 CCCN(C)CC(C)(C)C 269982a_100000742839_100000210303 [1,1,0,0,0,0|2,0,0]=4 1312 B9R0.44 CCCN(C)CC(C)(C)C 269982a_107254831479_200000210301 [1,1,0,0,0,0|2,0,0]=4 1313 B9R0.44 CCCN(C)CC(C)(C)C 270004a_100000747261_100011204126 [1,1,0,0,0,0|2,0,0]=4 1314 B9R0.44 CCCN(C)CC(C)(C)O 2230a_100000755907_100000210303 [1,1,0,0,0,0|2,0,0]=4 1315 B9R0.44 CCCN(C)CC(C)(C)O 269982a_100000755907_100000210303 [1,1,0,0,0,0|2,0,0]=4 1316 B9R0.44 CCCN([13CH3])CC(C)(C)C 2230a_107254831479_200025704644 [1,1,0,0,0,0|2,0,0]=4 1317 B9R0.44 CCCN([13CH3])CC(C)(C)C 269982a_107254831479_200025704644 [1,1,0,0,0,0|2,0,0]=4 1318 B9R0.44 CCN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210202 [1,1,0,0,0,0|2,0,0]=4 1319 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [1,1,0,0,0,0|2,0,0]=4 1320 B9R0.44 CNCC(O)C[N+](C)(C)C 2230a_106832991635_100000032816 [1,1,0,0,0,0|2,0,0]=4 1321 B9R0.44 CNCC(O)C[N+](C)(C)C 34a_100102657272_100000032816 [1,1,0,0,0,0|2,0,0]=4 1322 B9R0.44 CNCC(O)C[N+](C)(C)C 7a_106832991635_100000032816 [1,1,0,0,0,0|2,0,0]=4 1323 B9R0.44 COCC(C)CC(C)(C)C 7a_200011215325_200000210301 [1,1,0,0,0,0|2,0,0]=4 1324 B9R0.44 COCC(O)C[N+](C)(C)C 34a_100138415774_100000032816 [1,1,0,0,0,0|2,0,0]=4 1325 B9R0.44 CSCC(O)C[N+](C)(C)C 62a_100000032816_200000210301 [1,1,0,0,0,0|2,0,0]=4 1326 B9R0.44 CSCC(O)C[N+](C)(C)C 62a_200000210301_100000032816 [1,1,0,0,0,0|2,0,0]=4 1327 B9R0.44 C[N+](C)(C)CC(O)CS[13CH3] 62a_100000032816_200025704644 [1,1,0,0,0,0|2,0,0]=4 1328 B9R0.44 C[N+](C)(C)CC(O)CS[13CH3] 62a_200025704644_100000032816 [1,1,0,0,0,0|2,0,0]=4 1329 B9R0.58 CCCC(C)(C)OC(C)C 7a_100000748436_100000210206 [1,1,0,0,0,0|2,0,0]=4 1330 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [1,1,0,0,0,0|1,0,1]=4 1331 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [1,1,0,0,0,0|1,0,1]=4 1332 B9R0.58 CCNC(C)(C)CC(C)C 2230a_100011346068_100000210202 [1,1,0,0,0,0|2,0,0]=4 1333 B9R0.1 C#CC(C)NCCC(C)C 2230a_100000707721_100000210312 [1,1,0,0,0,0|1,0,1]=4 1334 B9R0.1 C#CC(C)NCCC(C)C 34a_100000707721_100000210312 [1,1,0,0,0,0|1,0,1]=4 1335 B9R0.1 C#CC(C)OCCC(C)C 34a_100000210254_200000035995 [1,1,0,0,0,0|1,0,1]=4 1336 B9R0.1 C#CC(C)SCCC(C)C 62a_200000035995_100000210312 [1,1,0,0,0,0|1,0,1]=4 1337 B9R0.1 C#C[C@@H](C)OCCC(C)C 34a_100009815206_100000210312 [1,1,0,0,0,0|1,0,1]=4 1338 B9R0.1 C#C[C@@H](C)OCCC(C)C 7a_100009815206_100000210626 [1,1,0,0,0,0|1,0,1]=4 1339 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [1,1,0,0,0,0|1,0,1]=4 1340 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [1,1,0,0,0,0|1,0,1]=4 1341 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [1,1,0,0,0,0|1,0,1]=4 1342 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [1,1,0,0,0,0|1,0,1]=4 1343 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [1,1,0,0,0,0|0,0,2]=4 1344 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [1,1,0,0,0,0|0,0,2]=4 1345 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [1,1,0,0,0,0|2,0,0]=4 1346 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [1,1,0,0,0,0|2,0,0]=4 1347 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [1,1,0,0,0,0|1,0,1]=4 1348 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,1,0,0,0,0|1,0,1]=4 1349 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [1,1,0,0,0,0|0,0,0]=2 1350 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,1,0,0,0,0|0,0,0]=2 1351 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,1,0,0,0,0|0,0,0]=2 1352 B9R0.1 CC(C)CCNC(C)C#N 2230a_100000737613_100000210312 [1,1,0,0,0,0|1,0,1]=4 1353 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [1,1,0,0,0,0|1,0,0]=3 1354 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [1,1,0,0,0,0|1,0,0]=3 1355 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [1,1,0,0,0,0|1,0,0]=3 1356 B9R0.1 CC(C)CCOC(C)C#N 34a_100011218135_100000210312 [1,1,0,0,0,0|1,0,1]=4 1357 B9R0.1 CC(C)CCOC(C)C#N 7a_100000210254_100000703298 [1,1,0,0,0,0|1,0,1]=4 1358 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [1,1,0,0,0,0|1,0,0]=3 1359 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [1,1,0,0,0,0|1,0,0]=3 1360 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [1,1,0,0,0,0|1,0,0]=3 1361 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [1,1,0,0,0,0|1,0,0]=3 1362 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [1,1,0,0,0,0|1,0,0]=3 1363 B9R0.1 CC(C)CCSC(C)C#N 62a_100000210312_100000703298 [1,1,0,0,0,0|1,0,1]=4 1364 B9R0.1 CC(C)CCSC(C)C#N 62a_100000703298_100000210312 [1,1,0,0,0,0|1,0,1]=4 1365 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [1,1,0,0,0,0|1,0,0]=3 1366 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [1,1,0,0,0,0|1,0,0]=3 1367 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [1,1,0,0,0,0|1,0,0]=3 1368 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [1,1,0,0,0,0|1,0,0]=3 1369 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [1,1,0,0,0,0|2,0,0]=4 1370 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [1,1,0,0,0,0|2,0,0]=4 1371 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [1,1,0,0,0,0|1,0,0]=3 1372 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [1,1,0,0,0,0|1,0,0]=3 1373 B9R0.1 CC(C)CNC[C@@H](F)CO 270004a_100015665980_100000210432 [1,1,0,0,0,0|2,0,0]=4 1374 B9R0.1 CC(C)CNC[C@@H](F)CO 34a_100015665980_100000210624 [1,1,0,0,0,0|2,0,0]=4 1375 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [1,1,0,0,0,0|2,0,0]=4 1376 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [1,1,0,0,0,0|2,0,0]=4 1377 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [1,1,0,0,0,0|2,0,0]=4 1378 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [1,1,0,0,0,0|2,0,0]=4 1379 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [1,1,0,0,0,0|2,0,0]=4 1380 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [1,1,0,0,0,0|1,0,0]=3 1381 B9R0.1 CC(C)COCC(Cl)CCl 34a_100000033668_100000210624 [1,1,0,0,0,0|2,0,0]=4 1382 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [1,1,0,0,0,0|2,0,0]=4 1383 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [1,1,0,0,0,0|1,0,0]=3 1384 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [1,1,0,0,0,0|2,0,0]=4 1385 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [1,1,0,0,0,0|2,0,0]=4 1386 B9R0.1 CC(C)COC[C@H](F)CN 34a_100015665980_100000210624 [1,1,0,0,0,0|2,0,0]=4 1387 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [1,1,0,0,0,0|2,0,0]=4 1388 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [1,1,0,0,0,0|2,0,0]=4 1389 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [1,1,0,0,0,0|1,0,0]=3 1390 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [1,1,0,0,0,0|1,0,0]=3 1391 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [1,1,0,0,0,0|2,0,0]=4 1392 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [1,1,0,0,0,0|2,0,0]=4 1393 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [1,1,0,0,0,0|2,0,0]=4 1394 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [1,1,0,0,0,0|2,0,0]=4 1395 B9R0.1 CC(C)OCN[C@H](C)CO 2230a_100000737577_100000709892 [1,1,0,0,0,0|2,0,0]=4 1396 B9R0.1 CC(C)OCOC(C)CF 34a_100016041109_100000709892 [1,1,0,0,0,0|2,0,0]=4 1397 B9R0.1 CC(C)OCOC(C)CN 34a_100000210904_100000709892 [1,1,0,0,0,0|2,0,0]=4 1398 B9R0.1 CC(C)OCSC(C)CO 62a_100012180447_100000709892 [1,1,0,0,0,0|2,0,0]=4 1399 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100000709892_100016084084 [1,1,0,0,0,0|2,0,0]=4 1400 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100016084084_100000709892 [1,1,0,0,0,0|2,0,0]=4 1401 B9R0.1 CC(CF)OCCN(C)C 7a_100016041109_100000755713 [1,1,0,0,0,0|2,0,0]=4 1402 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [1,1,0,0,0,0|2,0,0]=4 1403 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,1,0,0,0,0|1,0,0]=3 1404 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,1,0,0,0,0|1,0,0]=3 1405 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [1,1,0,0,0,0|2,0,0]=4 1406 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [1,1,0,0,0,0|2,0,0]=4 1407 B9R0.1 CC(CO)SCCN(C)C 62a_100012180447_100000755713 [1,1,0,0,0,0|2,0,0]=4 1408 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [1,1,0,0,0,0|2,0,0]=4 1409 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [1,1,0,0,0,0|2,0,0]=4 1410 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [1,1,0,0,0,0|2,0,0]=4 1411 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [1,1,0,0,0,0|2,0,0]=4 1412 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [1,1,0,0,0,0|2,0,0]=4 1413 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [1,1,0,0,0,0|2,0,0]=4 1414 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [1,1,0,0,0,0|2,0,0]=4 1415 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [1,1,0,0,0,0|2,0,0]=4 1416 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [1,1,0,0,0,0|2,0,0]=4 1417 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [1,1,0,0,0,0|2,0,0]=4 1418 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [1,1,0,0,0,0|2,0,0]=4 1419 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [1,1,0,0,0,0|2,0,0]=4 1420 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [1,1,0,0,0,0|2,0,0]=4 1421 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [1,1,0,0,0,0|2,0,0]=4 1422 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [1,1,0,0,0,0|2,0,0]=4 1423 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|1,0,1]=4 1424 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|1,0,1]=4 1425 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [1,1,0,0,0,0|1,0,0]=3 1426 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [1,1,0,0,0,0|1,0,0]=3 1427 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [1,1,0,0,0,0|1,0,0]=3 1428 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [1,1,0,0,0,0|1,0,0]=3 1429 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [1,1,0,0,0,0|1,0,0]=3 1430 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [1,1,0,0,0,0|1,0,0]=3 1431 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [1,1,0,0,0,0|1,0,0]=3 1432 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [1,1,0,0,0,0|2,0,0]=4 1433 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [1,1,0,0,0,0|2,0,0]=4 1434 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [1,1,0,0,0,0|2,0,0]=4 1435 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [1,1,0,0,0,0|2,0,0]=4 1436 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [1,1,0,0,0,0|2,0,0]=4 1437 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [1,1,0,0,0,0|2,0,0]=4 1438 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [1,1,0,0,0,0|1,0,0]=3 1439 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [1,1,0,0,0,0|2,0,0]=4 1440 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [1,1,0,0,0,0|2,0,0]=4 1441 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [1,1,0,0,0,0|2,0,0]=4 1442 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [1,1,0,0,0,0|1,0,0]=3 1443 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [1,1,0,0,0,0|1,0,0]=3 1444 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [1,1,0,0,0,0|2,0,0]=4 1445 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [1,1,0,0,0,0|2,0,0]=4 1446 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [1,1,0,0,0,0|2,0,0]=4 1447 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [1,1,0,0,0,0|2,0,0]=4 1448 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,1,0,0,0,0|1,0,0]=3 1449 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,1,0,0,0,0|1,0,0]=3 1450 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [1,1,0,0,0,0|2,0,0]=4 1451 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [1,1,0,0,0,0|2,0,0]=4 1452 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [1,1,0,0,0,0|2,0,0]=4 1453 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [1,1,0,0,0,0|2,0,0]=4 1454 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,1,0,0,0,0|1,0,0]=3 1455 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,1,0,0,0,0|1,0,0]=3 1456 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,1,0,0,0,0|1,0,0]=3 1457 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [1,1,0,0,0,0|2,0,0]=4 1458 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [1,1,0,0,0,0|2,0,0]=4 1459 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [1,1,0,0,0,0|2,0,0]=4 1460 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,1,0,0,0,0|1,0,0]=3 1461 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,1,0,0,0,0|1,0,0]=3 1462 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [1,1,0,0,0,0|2,0,0]=4 1463 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [1,1,0,0,0,0|2,0,0]=4 1464 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [1,1,0,0,0,0|2,0,0]=4 1465 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [1,1,0,0,0,0|2,0,0]=4 1466 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [1,1,0,0,0,0|2,0,0]=4 1467 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [1,1,0,0,0,0|2,0,0]=4 1468 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [1,1,0,0,0,0|2,0,0]=4 1469 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [1,1,0,0,0,0|2,0,0]=4 1470 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [1,1,0,0,0,0|2,0,0]=4 1471 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [1,1,0,0,0,0|2,0,0]=4 1472 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [1,1,0,0,0,0|2,0,0]=4 1473 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [1,1,0,0,0,0|2,0,0]=4 1474 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,1,0,0,0,0|1,0,0]=3 1475 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,1,0,0,0,0|1,0,0]=3 1476 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [1,1,0,0,0,0|2,0,0]=4 1477 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [1,1,0,0,0,0|2,0,0]=4 1478 B9R0.1 CCN(C)CCCN(C)C 2230a_100102631434_100015186262 [1,1,0,0,0,0|2,0,0]=4 1479 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225621_100000757444 [1,1,0,0,0,0|2,0,0]=4 1480 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225831_100000204670 [1,1,0,0,0,0|2,0,0]=4 1481 B9R0.1 CCN(C)CCCN(C)C 269982a_100000225837_200000210301 [1,1,0,0,0,0|2,0,0]=4 1482 B9R0.1 CCN(C)CCCN(C)C 269982a_100102631434_100015186262 [1,1,0,0,0,0|2,0,0]=4 1483 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [1,1,0,0,0,0|2,0,0]=4 1484 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [1,1,0,0,0,0|2,0,0]=4 1485 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [1,1,0,0,0,0|2,0,0]=4 1486 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [1,1,0,0,0,0|2,0,0]=4 1487 B9R0.1 CCN([13CH3])CCCN(C)C 269982a_100000225837_200025704644 [1,1,0,0,0,0|2,0,0]=4 1488 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [1,1,0,0,0,0|1,0,0]=3 1489 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [1,1,0,0,0,0|1,0,0]=3 1490 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [1,1,0,0,0,0|2,0,0]=4 1491 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [1,1,0,0,0,0|2,0,0]=4 1492 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [1,1,0,0,0,0|2,0,0]=4 1493 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [1,1,0,0,0,0|1,0,0]=3 1494 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [1,1,0,0,0,0|1,0,0]=3 1495 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [1,1,0,0,0,0|2,0,0]=4 1496 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [1,1,0,0,0,0|2,0,0]=4 1497 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [1,1,0,0,0,0|2,0,0]=4 1498 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [1,1,0,0,0,0|2,0,0]=4 1499 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [1,1,0,0,0,0|2,0,0]=4 1500 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [1,1,0,0,0,0|1,0,0]=3 1501 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [1,1,0,0,0,0|1,0,0]=3 1502 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [1,1,0,0,0,0|2,0,0]=4 1503 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [1,1,0,0,0,0|2,0,0]=4 1504 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [1,1,0,0,0,0|2,0,0]=4 1505 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [1,1,0,0,0,0|2,0,0]=4 1506 B9R0.1 CN(C)CCCN(C)CF 269982a_100000225831_100015361967 [1,1,0,0,0,0|2,0,0]=4 1507 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [1,1,0,0,0,0|1,0,1]=4 1508 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [1,1,0,0,0,0|1,0,1]=4 1509 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [1,1,0,0,0,0|1,0,1]=4 1510 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [1,1,0,0,0,0|1,0,1]=4 1511 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [1,1,0,0,0,0|0,0,2]=4 1512 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [1,1,0,0,0,0|0,0,0]=2 1513 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [1,1,0,0,0,0|0,0,0]=2 1514 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [1,1,0,0,0,0|1,0,0]=3 1515 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [1,1,0,0,0,0|0,0,2]=4 1516 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [1,1,0,0,0,0|0,0,2]=4 1517 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,1,0,0,0,0|0,0,0]=2 1518 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,1,0,0,0,0|0,0,0]=2 1519 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [1,1,0,0,0,0|1,0,0]=3 1520 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [1,1,0,0,0,0|1,0,0]=3 1521 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [1,1,0,0,0,0|2,0,0]=4 1522 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [1,1,0,0,0,0|2,0,0]=4 1523 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [1,1,0,0,0,0|1,0,0]=3 1524 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [1,1,0,0,0,0|1,0,0]=3 1525 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [1,1,0,0,0,0|2,0,0]=4 1526 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [1,1,0,0,0,0|2,0,0]=4 1527 B9R0.1 COC(C)SCCN(C)C 62a_100009879195_100000755713 [1,1,0,0,0,0|2,0,0]=4 1528 B9R0.1 COC(C)SCOC(C)C 62a_100000709892_100009879195 [1,1,0,0,0,0|2,0,0]=4 1529 B9R0.1 COC(C)SCOC(C)C 62a_100009879195_100000709892 [1,1,0,0,0,0|2,0,0]=4 1530 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [1,1,0,0,0,0|1,0,0]=3 1531 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [1,1,0,0,0,0|1,0,0]=3 1532 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [1,1,0,0,0,0|2,0,0]=4 1533 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [1,1,0,0,0,0|2,0,0]=4 1534 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [1,1,0,0,0,0|2,0,0]=4 1535 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [1,1,0,0,0,0|2,0,0]=4 1536 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [1,1,0,0,0,0|2,0,0]=4 1537 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [1,1,0,0,0,0|2,0,0]=4 1538 B9R0.1 C[C@H](CO)SCCN(C)C 62a_100016084084_100000755713 [1,1,0,0,0,0|2,0,0]=4 1539 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,1,0,0,0,0|1,0,1]=4 1540 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [1,1,0,0,0,0|1,0,1]=4 1541 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [1,1,0,0,0,0|2,0,0]=4 1542 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [1,1,0,0,0,0|2,0,0]=4 1543 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [1,1,0,0,0,0|0,0,1]=3 1544 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [1,1,0,0,0,0|0,0,1]=3 1545 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [1,1,0,0,0,0|1,0,1]=4 1546 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [1,1,0,0,0,0|1,0,1]=4 1547 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [1,1,0,0,0,0|1,0,1]=4 1548 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [1,1,0,0,0,0|1,0,1]=4 1549 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [1,1,0,0,0,0|1,0,1]=4 1550 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [1,1,0,0,0,0|1,0,1]=4 1551 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [1,1,0,0,0,0|1,0,1]=4 1552 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [1,1,0,0,0,0|1,0,0]=3 1553 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [1,1,0,0,0,0|1,0,0]=3 1554 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [1,1,0,0,0,0|1,0,0]=3 1555 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [1,1,0,0,0,0|1,0,0]=3 1556 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [1,1,0,0,0,0|1,0,0]=3 1557 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [1,1,0,0,0,0|1,0,0]=3 1558 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 1559 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 1560 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 1561 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [1,1,0,0,0,0|1,0,1]=4 1562 B9R0.7 CC(C)CNC(C)C(C)C 2230a_100000211541_100000210760 [1,1,0,0,0,0|1,0,0]=3 1563 B9R0.7 CC(C)CNC(C)C(C)C 270004a_100000211541_100000210432 [1,1,0,0,0,0|1,0,0]=3 1564 B9R0.7 CC(C)COC(C)C(C)C 7a_100000748068_100000210760 [1,1,0,0,0,0|1,0,0]=3 1565 B9R0.7 CC(C)N(C)CCN(C)C 269982a_100000225618_100000210206 [1,1,0,0,0,0|2,0,0]=4 1566 B9R0.7 CC(C)N(C)CCN(C)C 269982a_200000211004_100000755713 [1,1,0,0,0,0|2,0,0]=4 1567 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [1,1,0,0,0,0|1,0,1]=4 1568 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [1,1,0,0,0,0|1,0,1]=4 1569 B9R0.7 CC(C)NCC(O)C(C)C 2230a_100000759067_100000210206 [1,1,0,0,0,0|1,0,0]=3 1570 B9R0.7 CC(C)NCC(O)C(C)C 34a_100000759067_100000210206 [1,1,0,0,0,0|1,0,0]=3 1571 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [1,1,0,0,0,0|1,0,1]=4 1572 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [1,1,0,0,0,0|1,0,1]=4 1573 B9R0.7 CC(C)OCN(C)C(C)C 269982a_200000211004_100000709892 [1,1,0,0,0,0|2,0,0]=4 1574 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [1,1,0,0,0,0|1,0,0]=3 1575 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [1,1,0,0,0,0|1,0,1]=4 1576 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [1,1,0,0,0,0|1,0,1]=4 1577 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [1,1,0,0,0,0|1,0,1]=4 1578 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [1,1,0,0,0,0|1,0,1]=4 1579 B9R0.7 CC(O)CCN(C)C(C)C 269982a_200000211004_100012276601 [1,1,0,0,0,0|2,0,0]=4 1580 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [1,1,0,0,0,0|2,0,0]=4 1581 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [1,1,0,0,0,0|2,0,0]=4 1582 B9R0.56 CC(Br)CCOC(C)(C)C 34a_100009893172_100000210625 [1,1,0,0,0,0|2,0,0]=4 1583 B9R0.56 CC(Br)COCC(C)(C)C 34a_100012180447_100011219605 [1,1,0,0,0,0|2,0,0]=4 1584 B9R0.56 CC(Br)COCC(C)(C)F 34a_100012180447_100011997219 [1,1,0,0,0,0|2,0,0]=4 1585 B9R0.56 CC(Br)COCC(C)(C)O 34a_100012180447_100000764493 [1,1,0,0,0,0|2,0,0]=4 1586 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [1,1,0,0,0,0|1,0,0]=3 1587 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [1,1,0,0,0,0|1,0,0]=3 1588 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [1,1,0,0,0,0|1,0,0]=3 1589 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [1,1,0,0,0,0|1,0,0]=3 1590 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [1,1,0,0,0,0|1,0,0]=3 1591 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [1,1,0,0,0,0|1,0,0]=3 1592 B9R0.56 CC(C)CNCC(C)(C)C 2230a_100000743828_100000210760 [1,1,0,0,0,0|1,0,0]=3 1593 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000210953_100011204126 [1,1,0,0,0,0|1,0,0]=3 1594 B9R0.56 CC(C)CNCC(C)(C)C 270004a_100000743828_100000210432 [1,1,0,0,0,0|1,0,0]=3 1595 B9R0.56 CC(C)CNCC(C)(C)C 34a_100000210953_100011219605 [1,1,0,0,0,0|1,0,0]=3 1596 B9R0.56 CC(C)CNCC(C)(C)F 2230a_100020643315_100000210760 [1,1,0,0,0,0|1,0,0]=3 1597 B9R0.56 CC(C)CNCC(C)(C)F 270004a_100020643315_100000210432 [1,1,0,0,0,0|1,0,0]=3 1598 B9R0.56 CC(C)CNCC(C)(C)F 34a_100000210953_100011997219 [1,1,0,0,0,0|1,0,0]=3 1599 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [1,1,0,0,0,0|1,0,0]=3 1600 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [1,1,0,0,0,0|1,0,0]=3 1601 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [1,1,0,0,0,0|1,0,0]=3 1602 B9R0.56 CC(C)CNCC(C)(F)F 270004a_100000731000_100000210432 [1,1,0,0,0,0|2,0,0]=4 1603 B9R0.56 CC(C)CNC[Si](C)(C)C 2230a_100000210953_100000037933 [1,1,0,0,0,0|1,1,0]=4 1604 B9R0.56 CC(C)COCC(C)(C)C 34a_100000210257_100011219605 [1,1,0,0,0,0|1,0,0]=3 1605 B9R0.56 CC(C)COCC(C)(C)F 34a_100000210257_100011997219 [1,1,0,0,0,0|1,0,0]=3 1606 B9R0.56 CC(C)COCC(C)(C)F 34a_100000716592_100000210624 [1,1,0,0,0,0|1,0,0]=3 1607 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [1,1,0,0,0,0|1,0,0]=3 1608 B9R0.56 CC(C)COCC(C)(F)F 34a_100000068830_100000210624 [1,1,0,0,0,0|2,0,0]=4 1609 B9R0.56 CC(C)CSCC(C)(C)C 62a_100000210624_100011219605 [1,1,0,0,0,0|1,0,0]=3 1610 B9R0.56 CC(C)CSCC(C)(C)C 62a_100011219605_100000210760 [1,1,0,0,0,0|1,0,0]=3 1611 B9R0.56 CC(C)CSCC(C)(C)F 62a_100000210624_100011997219 [1,1,0,0,0,0|1,0,0]=3 1612 B9R0.56 CC(C)CSCC(C)(C)F 62a_100011997219_100000210760 [1,1,0,0,0,0|1,0,0]=3 1613 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [1,1,0,0,0,0|1,0,0]=3 1614 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [1,1,0,0,0,0|1,0,0]=3 1615 B9R0.56 CC(C)CSC[N+](C)(C)C 62a_100000210624_200000036245 [1,1,0,0,0,0|2,0,0]=4 1616 B9R0.56 CC(C)CSC[N+](C)(C)C 62a_200000036245_100000210760 [1,1,0,0,0,0|2,0,0]=4 1617 B9R0.56 CC(C)CSC[Si](C)(C)C 62a_100000037933_100000210760 [1,1,0,0,0,0|1,1,0]=4 1618 B9R0.56 CC(C)CSC[Si](C)(C)C 62a_100000210624_100000037933 [1,1,0,0,0,0|1,1,0]=4 1619 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [1,1,0,0,0,0|1,0,0]=3 1620 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [1,1,0,0,0,0|1,0,0]=3 1621 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [1,1,0,0,0,0|1,0,0]=3 1622 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [1,1,0,0,0,0|1,0,0]=3 1623 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [1,1,0,0,0,0|1,0,0]=3 1624 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [1,1,0,0,0,0|1,0,0]=3 1625 B9R0.56 CC(C)NCC[N+](C)(C)C 34a_100138425928_100000085578 [1,1,0,0,0,0|2,0,0]=4 1626 B9R0.56 CC(C)NCC[Si](C)(C)C 2230a_100138425928_200000733723 [1,1,0,0,0,0|1,1,0]=4 1627 B9R0.56 CC(C)NCC[Si](C)(C)C 34a_100138425928_200000733723 [1,1,0,0,0,0|1,1,0]=4 1628 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [1,1,0,0,0,0|1,0,0]=3 1629 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [1,1,0,0,0,0|1,0,0]=3 1630 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [1,1,0,0,0,0|1,0,0]=3 1631 B9R0.56 CC(C)OCC[N+](C)(C)C 34a_100000212225_100000085578 [1,1,0,0,0,0|2,0,0]=4 1632 B9R0.56 CC(C)OCC[N+](C)(C)C 7a_200020618287_100000210206 [1,1,0,0,0,0|2,0,0]=4 1633 B9R0.56 CC(C)OCC[Si](C)(C)C 34a_100000212225_200000733723 [1,1,0,0,0,0|1,1,0]=4 1634 B9R0.56 CC(C)OCC[Si](C)(C)C 7a_100000039746_100000210206 [1,1,0,0,0,0|1,1,0]=4 1635 B9R0.56 CC(C)OCNC(C)(C)C 2230a_100000715429_100000709892 [1,1,0,0,0,0|2,0,0]=4 1636 B9R0.56 CC(C)OCOC(C)(C)C 34a_100015890283_100000709892 [1,1,0,0,0,0|2,0,0]=4 1637 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000211941_100000709892 [1,1,0,0,0,0|2,0,0]=4 1638 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000709892_100000211941 [1,1,0,0,0,0|2,0,0]=4 1639 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [1,1,0,0,0,0|1,0,0]=3 1640 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [1,1,0,0,0,0|1,0,0]=3 1641 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [1,1,0,0,0,0|1,0,0]=3 1642 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [1,1,0,0,0,0|1,0,0]=3 1643 B9R0.56 CC(C)SCC[N+](C)(C)C 62a_100000085578_100000210206 [1,1,0,0,0,0|2,0,0]=4 1644 B9R0.56 CC(C)SCC[N+](C)(C)C 62a_100000210206_100000085578 [1,1,0,0,0,0|2,0,0]=4 1645 B9R0.56 CC(C)SCC[Si](C)(C)C 62a_100000210206_200000733723 [1,1,0,0,0,0|1,1,0]=4 1646 B9R0.56 CC(C)SCC[Si](C)(C)C 62a_200000733723_100000210206 [1,1,0,0,0,0|1,1,0]=4 1647 B9R0.56 CC(F)COCC(C)(C)C 34a_100015925927_100011219605 [1,1,0,0,0,0|2,0,0]=4 1648 B9R0.56 CC(F)COCC(C)(C)F 34a_100015925927_100011997219 [1,1,0,0,0,0|2,0,0]=4 1649 B9R0.56 CC(F)COCC(C)(C)O 34a_100015925927_100000764493 [1,1,0,0,0,0|2,0,0]=4 1650 B9R0.56 CC(O)CCNC(C)(C)C 2230a_100000715429_100012276601 [1,1,0,0,0,0|2,0,0]=4 1651 B9R0.56 CC(O)CCOC(C)(C)C 34a_100015890283_100012276601 [1,1,0,0,0,0|2,0,0]=4 1652 B9R0.56 CC(O)CCOC(C)(C)C 7a_100015890283_100012276601 [1,1,0,0,0,0|2,0,0]=4 1653 B9R0.56 CC(O)CCSC(C)(C)C 62a_100000211941_100012276601 [1,1,0,0,0,0|2,0,0]=4 1654 B9R0.56 CC(O)CCSC(C)(C)C 62a_100012276601_100000211941 [1,1,0,0,0,0|2,0,0]=4 1655 B9R0.56 CC(O)CNCC(C)(C)C 2230a_100000743828_100011218427 [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.56 CC(O)CNCC(C)(C)C 270004a_100000210904_100011204126 [1,1,0,0,0,0|2,0,0]=4 1657 B9R0.56 CC(O)CNCC(C)(C)C 34a_100000210904_100011219605 [1,1,0,0,0,0|2,0,0]=4 1658 B9R0.56 CC(O)CNCC(C)(C)F 2230a_100020643315_100011218427 [1,1,0,0,0,0|2,0,0]=4 1659 B9R0.56 CC(O)CNCC(C)(C)F 34a_100000210904_100011997219 [1,1,0,0,0,0|2,0,0]=4 1660 B9R0.56 CC(O)CNCC(C)(C)O 2230a_100000751335_100011218427 [1,1,0,0,0,0|2,0,0]=4 1661 B9R0.56 CC(O)CNCC(C)(C)O 34a_100000210904_100000764493 [1,1,0,0,0,0|2,0,0]=4 1662 B9R0.56 CC(O)COCC(C)(C)F 34a_100000716592_100011218427 [1,1,0,0,0,0|2,0,0]=4 1663 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011218427_100011219605 [1,1,0,0,0,0|2,0,0]=4 1664 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011219605_100011218427 [1,1,0,0,0,0|2,0,0]=4 1665 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011218427_100011997219 [1,1,0,0,0,0|2,0,0]=4 1666 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011997219_100011218427 [1,1,0,0,0,0|2,0,0]=4 1667 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [1,1,0,0,0,0|2,0,0]=4 1668 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [1,1,0,0,0,0|2,0,0]=4 1669 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [1,1,0,0,0,0|1,0,0]=3 1670 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [1,1,0,0,0,0|1,0,0]=3 1671 B9R0.56 CN(C)CCC[N+](C)(C)C 2230a_100102631434_100016990835 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.56 CN(C)CCC[N+](C)(C)C 269982a_100102631434_100016990835 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.56 CN(C)CCC[Si](C)(C)C 2230a_100102631434_100011219597 [1,1,0,0,0,0|1,1,0]=4 1674 B9R0.56 CN(C)CCC[Si](C)(C)C 269982a_100102631434_100011219597 [1,1,0,0,0,0|1,1,0]=4 1675 B9R0.56 CN(C)CCOC(C)(C)C 2230a_100000690421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1676 B9R0.56 CN(C)CCOC(C)(C)C 269982a_100000690421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1677 B9R0.56 CN(C)CCOC(C)(C)C 7a_100015890283_100000755713 [1,1,0,0,0,0|2,0,0]=4 1678 B9R0.56 CN(C)CCSC(C)(C)C 62a_100000211941_100000755713 [1,1,0,0,0,0|2,0,0]=4 1679 B9R0.56 CN([13CH3])CCOC(C)(C)C 2230a_100000690421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1680 B9R0.56 CN([13CH3])CCOC(C)(C)C 269982a_100000690421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1681 B9R0.56 C[C@@H](Cl)COCC(C)(C)C 34a_100016084084_100011219605 [1,1,0,0,0,0|2,0,0]=4 1682 B9R0.56 C[C@@H](Cl)COCC(C)(C)F 34a_100016084084_100011997219 [1,1,0,0,0,0|2,0,0]=4 1683 B9R0.56 C[C@@H](Cl)COCC(C)(C)O 34a_100016084084_100000764493 [1,1,0,0,0,0|2,0,0]=4 1684 B9R0.56 C[C@@H](N)CCOC(C)(C)C 34a_100000706166_100000210625 [1,1,0,0,0,0|2,0,0]=4 1685 B9R0.56 C[C@@H](N)COCC(C)(C)C 34a_100000737577_100011219605 [1,1,0,0,0,0|2,0,0]=4 1686 B9R0.56 C[C@@H](N)COCC(C)(C)F 34a_100000737577_100011997219 [1,1,0,0,0,0|2,0,0]=4 1687 B9R0.56 C[C@@H](N)COCC(C)(C)O 34a_100000737577_100000764493 [1,1,0,0,0,0|2,0,0]=4 1688 B9R0.56 C[C@@H](O)CNCC(C)(C)C 2230a_100000743828_100009817552 [1,1,0,0,0,0|2,0,0]=4 1689 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2230a_100020643315_100009817552 [1,1,0,0,0,0|2,0,0]=4 1690 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2230a_100000751335_100009817552 [1,1,0,0,0,0|2,0,0]=4 1691 B9R0.56 C[C@@H](O)COCC(C)(C)F 34a_100000716592_100009817552 [1,1,0,0,0,0|2,0,0]=4 1692 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100009817552_100011219605 [1,1,0,0,0,0|2,0,0]=4 1693 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100011219605_100009817552 [1,1,0,0,0,0|2,0,0]=4 1694 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100009817552_100011997219 [1,1,0,0,0,0|2,0,0]=4 1695 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100011997219_100009817552 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [1,1,0,0,0,0|2,0,0]=4 1697 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [1,1,0,0,0,0|2,0,0]=4 1698 B9R0.10 CC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000210624 [0,1,0,0,1,0|0,0,2]=4 1699 B9R0.10 CC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000210624 [0,1,0,0,1,0|0,0,2]=4 1700 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [0,1,0,0,1,0|0,0,2]=4 1701 B9R0.10 CC(C)CN(C)C(C)(C)C 2230a_100015183297_200000210301 [0,1,0,0,1,0|2,0,0]=4 1702 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100000747067_100000210625 [0,1,0,0,1,0|2,0,0]=4 1703 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100011215553_100000210624 [0,1,0,0,1,0|2,0,0]=4 1704 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100015183297_200000210301 [0,1,0,0,1,0|2,0,0]=4 1705 B9R0.10 CC(C)CN(C)C(C)(C)C 270004a_100011215553_100000210432 [0,1,0,0,1,0|2,0,0]=4 1706 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 2230a_100015183297_200025704644 [0,1,0,0,1,0|2,0,0]=4 1707 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 269982a_100015183297_200025704644 [0,1,0,0,1,0|2,0,0]=4 1708 B9R0.10 CC(C)N[C@@H](C)C(C)(C)O 2230a_100025708725_100000210206 [0,1,0,0,1,0|2,0,0]=4 1709 B9R0.10 CC(C)N[C@H](C)C(C)(C)C 2230a_100025703359_100000210206 [0,1,0,0,1,0|2,0,0]=4 1710 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,1,0,0,1,0|1,0,1]=4 1711 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,1,0,0,1,0|1,0,1]=4 1712 B9R0.11 CC(C)NC(C)(C)C(C)C 2230a_200160471154_100000210206 [0,1,0,0,1,0|2,0,0]=4 1713 B9R0.11 CC(C)OC(C)(C)C(C)C 7a_100011215261_100000210206 [0,1,0,0,1,0|2,0,0]=4 1714 B9R0.39 C#CC(OC(C)C)C(C)C 34a_100011217124_100000210206 [0,1,0,0,1,0|2,0,0]=4 1715 B9R0.39 C#CC(OC(C)C)C(C)C 7a_100011217124_100000210206 [0,1,0,0,1,0|2,0,0]=4 1716 B9R0.39 C=CC(OC(C)C)C(C)C 34a_100000732651_100000210206 [0,1,0,0,1,0|2,0,0]=4 1717 B9R0.39 C=CC(OC(C)C)C(C)C 7a_100000732651_100000210206 [0,1,0,0,1,0|2,0,0]=4 1718 B9R0.39 CC(C)CC(O[13CH3])C(C)C 34a_200011219802_200025704644 [0,1,0,0,1,0|0,0,0]=2 1719 B9R0.39 CC(C)CC(O[13CH3])C(C)C 7a_200011219802_200025704644 [0,1,0,0,1,0|0,0,0]=2 1720 B9R0.39 CC(C)CN(CF)C(C)C 269982a_100000737641_100015361967 [0,1,0,0,1,0|2,0,0]=4 1721 B9R0.39 CC(C)N[C@@H](CO)C(C)C 2230a_100011830312_100000210206 [0,1,0,0,1,0|1,0,0]=3 1722 B9R0.39 CC(C)N[C@@H](CO)C(C)C 34a_100011830312_100000210206 [0,1,0,0,1,0|1,0,0]=3 1723 B9R0.39 CC(C)N[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210206 [0,1,0,0,1,0|2,0,0]=4 1724 B9R0.39 CC(C)N[C@H](CO)[C@@H](C)O 34a_100015196842_100000210206 [0,1,0,0,1,0|2,0,0]=4 1725 B9R0.39 CC(C)OC(C#N)C(C)C 34a_100000748901_100000210206 [0,1,0,0,1,0|2,0,0]=4 1726 B9R0.39 CC(C)OC(C#N)C(C)C 7a_100000748901_100000210206 [0,1,0,0,1,0|2,0,0]=4 1727 B9R0.39 CC(C)OC(CN)C(C)C 34a_100000759067_100000210206 [0,1,0,0,1,0|2,0,0]=4 1728 B9R0.39 CCC(OC(C)C)C(C)C 34a_100011218073_100000210206 [0,1,0,0,1,0|2,0,0]=4 1729 B9R0.39 CCC(OC(C)C)C(C)C 7a_100011218073_100000210206 [0,1,0,0,1,0|2,0,0]=4 1730 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000223864_100000210760 [0,1,0,0,1,0|2,0,0]=4 1731 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000737641_100000210202 [0,1,0,0,1,0|2,0,0]=4 1732 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000738554_100000210206 [0,1,0,0,1,0|2,0,0]=4 1733 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000223864_100000210624 [0,1,0,0,1,0|2,0,0]=4 1734 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000737641_100000204670 [0,1,0,0,1,0|2,0,0]=4 1735 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000738554_100000210206 [0,1,0,0,1,0|2,0,0]=4 1736 B9R0.39 CCN(CC(C)C)C(C)C 270004a_100000223864_100000210432 [0,1,0,0,1,0|2,0,0]=4 1737 B9R0.39 COC(CC(C)C)C(C)C 34a_200011219802_200000210301 [0,1,0,0,1,0|0,0,0]=2 1738 B9R0.39 COC(CC(C)C)C(C)C 7a_200011219802_200000210301 [0,1,0,0,1,0|0,0,0]=2 1739 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,0,0,1,0|0,0,2]=4 1740 B9R0.42 CC(C)N(C)C[C@@H](C)CO 269982a_200000211004_100000059175 [0,1,0,0,1,0|2,0,0]=4 1741 B9R0.42 CC(CO)NC(C)C(C)C 2230a_100000211541_100012180447 [0,1,0,0,1,0|2,0,0]=4 1742 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [0,1,0,0,1,0|2,0,0]=4 1743 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,1,0,0,1,0|0,0,2]=4 1744 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,1,0,0,1,0|0,0,2]=4 1745 B9R0.42 CCC(C)CC(C)N(C)C 270004a_100102631434_100011710205 [0,1,0,0,1,0|2,0,0]=4 1746 B9R0.42 CCC(C)CN(C)C(C)C 2230a_100000753921_100000210206 [0,1,0,0,1,0|2,0,0]=4 1747 B9R0.42 CCC(C)CN(C)C(C)C 269982a_100000753921_100000210206 [0,1,0,0,1,0|2,0,0]=4 1748 B9R0.42 CCC(C)CN(C)C(C)C 269982a_200000211004_100000748023 [0,1,0,0,1,0|2,0,0]=4 1749 B9R0.42 CCC(C)CN(C)C(C)C 270004a_200000211004_100000243153 [0,1,0,0,1,0|2,0,0]=4 1750 B9R0.42 CCC(C)NC(C)C(C)C 2230a_100000211541_100000758301 [0,1,0,0,1,0|2,0,0]=4 1751 B9R0.42 CCC(C)OC(C)C(C)C 7a_100000748068_100000758301 [0,1,0,0,1,0|2,0,0]=4 1752 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,1,0,0,1,0|0,0,2]=4 1753 B9R0.42 CC[C@H](C)CN(C)C(C)C 269982a_200000211004_100009816398 [0,1,0,0,1,0|2,0,0]=4 1754 B9R0.57 CC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000210206 [0,1,0,0,1,0|0,0,2]=4 1755 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,1,0,0,1,0|0,0,2]=4 1756 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_100000742839_100000210206 [0,1,0,0,1,0|2,0,0]=4 1757 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_107254826865_200000210301 [0,1,0,0,1,0|2,0,0]=4 1758 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_100000742839_100000210206 [0,1,0,0,1,0|2,0,0]=4 1759 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_107254826865_200000210301 [0,1,0,0,1,0|2,0,0]=4 1760 B9R0.57 CC(C)N(C)CC(C)(C)C 270004a_200000211004_100011204126 [0,1,0,0,1,0|2,0,0]=4 1761 B9R0.57 CC(C)N(C)CC(C)(C)O 2230a_100000755907_100000210206 [0,1,0,0,1,0|2,0,0]=4 1762 B9R0.57 CC(C)N(C)CC(C)(C)O 269982a_100000755907_100000210206 [0,1,0,0,1,0|2,0,0]=4 1763 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 2230a_107254826865_200025704644 [0,1,0,0,1,0|2,0,0]=4 1764 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 269982a_107254826865_200025704644 [0,1,0,0,1,0|2,0,0]=4 1765 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,1,0,0,1,0|0,0,2]=4 1766 B9R0.79 CC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000210206 [0,1,0,0,1,0|0,0,1]=3 1767 B9R0.79 CC(C)C(C)N(C)C(C)C 2230a_100000228512_100000210206 [0,1,0,0,1,0|2,0,0]=4 1768 B9R0.79 CC(C)C(C)N(C)C(C)C 269982a_100000228512_100000210206 [0,1,0,0,1,0|2,0,0]=4 1769 B9R0.79 CC(C)[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000691806 [0,1,0,0,1,0|1,0,1]=4 1770 B11R0.33 CC(C)CC(=O)CC(=O)C(C)C 1458a_100000210554_100000753385 [0,1,0,0,0,1|0,0,2]=4 1771 B11R0.33 CC(C)CC(=O)CN(C)C(C)C 1458a_100000743827_100000210624 [0,1,0,0,0,1|0,0,2]=4 1772 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 11a_100000211541_100000210554 [0,1,0,0,0,1|0,0,2]=4 1773 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 1626a_100000211541_100000210554 [0,1,0,0,0,1|0,0,2]=4 1774 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 240690a_100000211541_100000210554 [0,1,0,0,0,1|0,0,2]=4 1775 B11R0.33 CC(C)CC(=O)NC(C)C(C)C 527a_100000211541_100000210554 [0,1,0,0,0,1|0,0,2]=4 1776 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 11a_100000692259_100000210198 [0,1,0,0,0,1|1,0,1]=4 1777 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 1626a_100000692259_100000210198 [0,1,0,0,0,1|1,0,1]=4 1778 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 240690a_100000692259_100000210198 [0,1,0,0,0,1|1,0,1]=4 1779 B11R0.33 CC(C)CC(C)NC(=O)C(C)C 527a_100000692259_100000210198 [0,1,0,0,0,1|1,0,1]=4 1780 B11R0.33 CC(C)CC(C)NC(C)C(C)C 2230a_100000211541_100000731052 [0,1,0,0,0,1|1,0,0]=3 1781 B11R0.33 CC(C)CC(C)OC(C)C(C)C 7a_100000748068_100000731052 [0,1,0,0,0,1|1,0,0]=3 1782 B11R0.33 CC(C)CN(C)CC(=O)C(C)C 2230a_100000747067_100000753385 [0,1,0,0,0,1|2,0,0]=4 1783 B11R0.33 CC(C)CN(C)CC(=O)C(C)C 269982a_100000747067_100000753385 [0,1,0,0,0,1|2,0,0]=4 1784 B11R0.33 CC(CN(C)C)CN(C)C(C)C 269982a_200000211004_100015348159 [0,1,0,0,0,1|2,0,0]=4 1785 B11R0.34 CC(C)CCC(=O)CC(C)(C)C 1458a_100000211214_100000210312 [0,1,0,0,0,1|0,0,2]=4 1786 B11R0.34 CC(C)CCC(=O)CC(C)(C)O 1458a_100000693243_100000210312 [0,1,0,0,0,1|0,0,2]=4 1787 B11R0.34 CC(C)CCC(C)NC(C)(C)C 2230a_100000715429_100011261404 [0,1,0,0,0,1|2,0,0]=4 1788 B11R0.34 CC(C)CCC(C)OC(C)(C)C 34a_100011215350_100000210625 [0,1,0,0,0,1|2,0,0]=4 1789 B11R0.34 CC(C)CCC(C)OC(C)(C)C 34a_100015890283_100011261404 [0,1,0,0,0,1|2,0,0]=4 1790 B11R0.34 CC(C)CCC(C)SC(C)(C)C 62a_100000211941_100011261404 [0,1,0,0,0,1|2,0,0]=4 1791 B11R0.34 CC(C)CCC(C)SC(C)(C)C 62a_100011261404_100000211941 [0,1,0,0,0,1|2,0,0]=4 1792 B11R0.34 CC(C)CCN(C)CC(C)(C)C 2230a_100000742839_100000210312 [0,1,0,0,0,1|2,0,0]=4 1793 B11R0.34 CC(C)CCN(C)CC(C)(C)C 269982a_100000742839_100000210312 [0,1,0,0,0,1|2,0,0]=4 1794 B11R0.34 CC(C)CCN(C)CC(C)(C)C 270004a_100000742789_100011204126 [0,1,0,0,0,1|2,0,0]=4 1795 B11R0.34 CC(C)CCN(C)CC(C)(C)O 2230a_100000755907_100000210312 [0,1,0,0,0,1|2,0,0]=4 1796 B11R0.34 CC(C)CCN(C)CC(C)(C)O 269982a_100000755907_100000210312 [0,1,0,0,0,1|2,0,0]=4 1797 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 11a_100000210953_100000211214 [0,1,0,0,0,1|0,0,2]=4 1798 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 1626a_100000210953_100000211214 [0,1,0,0,0,1|0,0,2]=4 1799 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 240690a_100000210953_100000211214 [0,1,0,0,0,1|0,0,2]=4 1800 B11R0.34 CC(C)CNC(=O)CC(C)(C)C 527a_100000210953_100000211214 [0,1,0,0,0,1|0,0,2]=4 1801 B11R0.34 CC(C)CNC(=O)CC(C)(C)O 527a_100000210953_100000693243 [0,1,0,0,0,1|0,0,2]=4 1802 B11R0.34 CC(C)CN[C@@H](C)CC(C)(C)C 2230a_106358413534_100000210760 [0,1,0,0,0,1|1,0,0]=3 1803 B11R0.34 CC(C)CN[C@@H](C)CC(C)(C)C 270004a_106358413534_100000210432 [0,1,0,0,0,1|1,0,0]=3 1804 B11R0.34 CC(C)COC(C)CC(C)(C)C 7a_200011218616_100000210760 [0,1,0,0,0,1|1,0,0]=3 1805 B11R0.34 CC(C)NCC(O)C[N+](C)(C)C 2230a_100138425928_100000032816 [0,1,0,0,0,1|1,0,0]=3 1806 B11R0.34 CC(C)NCC(O)C[N+](C)(C)C 34a_100138425928_100000032816 [0,1,0,0,0,1|1,0,0]=3 1807 B11R0.34 CC(C)OCC(O)C[N+](C)(C)C 34a_100000212225_100000032816 [0,1,0,0,0,1|1,0,0]=3 1808 B11R0.34 CC(C)OCN(C)CC(C)(C)C 2230a_100000742839_100000709892 [0,1,0,0,0,1|2,0,0]=4 1809 B11R0.34 CC(C)OCN(C)CC(C)(C)C 269982a_100000742839_100000709892 [0,1,0,0,0,1|2,0,0]=4 1810 B11R0.34 CC(C)OCN(C)CC(C)(C)O 2230a_100000755907_100000709892 [0,1,0,0,0,1|2,0,0]=4 1811 B11R0.34 CC(C)OCN(C)CC(C)(C)O 269982a_100000755907_100000709892 [0,1,0,0,0,1|2,0,0]=4 1812 B11R0.34 CC(C)SCC(O)C[N+](C)(C)C 62a_100000032816_100000210206 [0,1,0,0,0,1|1,0,0]=3 1813 B11R0.34 CC(C)SCC(O)C[N+](C)(C)C 62a_100000210206_100000032816 [0,1,0,0,0,1|1,0,0]=3 1814 B11R0.34 CC(CC(C)(C)C)OC[C@@H](C)O 7a_200011218616_100009817552 [0,1,0,0,0,1|2,0,0]=4 1815 B11R0.34 CC(COC(C)C)CC(C)(C)C 7a_200011215325_100000210206 [0,1,0,0,0,1|1,0,0]=3 1816 B11R0.34 CC(O)CN[C@@H](C)CC(C)(C)C 2230a_106358413534_100011218427 [0,1,0,0,0,1|2,0,0]=4 1817 B11R0.34 CC(O)COC(C)CC(C)(C)C 7a_200011218616_100011218427 [0,1,0,0,0,1|2,0,0]=4 1818 B11R0.34 C[C@@H](O)CN[C@@H](C)CC(C)(C)C 2230a_106358413534_100009817552 [0,1,0,0,0,1|2,0,0]=4 1819 B11R0.93 CC(C)CCC(=O)C[C@@H](C)CO 1458a_100000181311_100000059175 [0,1,0,0,0,1|0,0,2]=4 1820 B11R0.93 CC(C)CCC(C)NC(C)CO 2230a_100138410893_100012180447 [0,1,0,0,0,1|2,0,0]=4 1821 B11R0.93 CC(C)CCC(C)N[C@H](C)CF 270004a_100102880703_100000210476 [0,1,0,0,0,1|2,0,0]=4 1822 B11R0.93 CC(C)CCC(C)N[C@H](C)CO 2230a_100000737577_100011261404 [0,1,0,0,0,1|2,0,0]=4 1823 B11R0.93 CC(C)CCC(C)N[C@H](C)CO 270004a_100000737577_100000210476 [0,1,0,0,0,1|2,0,0]=4 1824 B11R0.93 CC(C)CCC(C)OC(C)CF 34a_100016041109_100011261404 [0,1,0,0,0,1|2,0,0]=4 1825 B11R0.93 CC(C)CCC(C)OC(C)CN 34a_100000210904_100011261404 [0,1,0,0,0,1|2,0,0]=4 1826 B11R0.93 CC(C)CCC(C)OC(C)CO 34a_100011215350_100012180447 [0,1,0,0,0,1|2,0,0]=4 1827 B11R0.93 CC(C)CCC(C)OC(C)CO 7a_100011215350_100012180447 [0,1,0,0,0,1|2,0,0]=4 1828 B11R0.93 CC(C)CCC(C)SC(C)CO 62a_100012180447_100011261404 [0,1,0,0,0,1|2,0,0]=4 1829 B11R0.93 CC(C)CCC(C)S[C@H](C)CO 62a_100011261404_100016084084 [0,1,0,0,0,1|2,0,0]=4 1830 B11R0.93 CC(C)CCC(C)S[C@H](C)CO 62a_100016084084_100011261404 [0,1,0,0,0,1|2,0,0]=4 1831 B11R0.93 CC(C)CCN(C)C[C@@H](C)CO 2230a_100000742789_100000059175 [0,1,0,0,0,1|2,0,0]=4 1832 B11R0.93 CC(C)CCN(C)C[C@@H](C)CO 269982a_100000742789_100000059175 [0,1,0,0,0,1|2,0,0]=4 1833 B11R0.93 CC(C)OCC(=O)C[C@@H](C)CO 1458a_100000745533_100000059175 [0,1,0,0,0,1|0,0,2]=4 1834 B11R0.93 CC(C)SCC(=O)C[C@@H](C)CO 1458a_100000241585_100000059175 [0,1,0,0,0,1|0,0,2]=4 1835 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000181311_100000748023 [0,1,0,0,0,1|0,0,2]=4 1836 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000708755_100000210312 [0,1,0,0,0,1|0,0,2]=4 1837 B11R0.93 CCC(C)CC(=O)COC(C)C 1458a_100000745533_100000748023 [0,1,0,0,0,1|0,0,2]=4 1838 B11R0.93 CCC(C)CC(=O)CSC(C)C 1458a_100000241585_100000748023 [0,1,0,0,0,1|0,0,2]=4 1839 B11R0.93 CCC(C)CC(=O)NCC(C)C 11a_100000210953_100000708755 [0,1,0,0,0,1|0,0,2]=4 1840 B11R0.93 CCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000708755 [0,1,0,0,0,1|0,0,2]=4 1841 B11R0.93 CCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000708755 [0,1,0,0,0,1|0,0,2]=4 1842 B11R0.93 CCC(C)CC(=O)NCC(C)C 527a_100000210953_100000708755 [0,1,0,0,0,1|0,0,2]=4 1843 B11R0.93 CCC(C)CC(C)NCC(C)C 2230a_100000763565_100000210760 [0,1,0,0,0,1|1,0,0]=3 1844 B11R0.93 CCC(C)CC(C)NCC(C)C 270004a_100000210953_100011710205 [0,1,0,0,0,1|1,0,0]=3 1845 B11R0.93 CCC(C)CC(C)NCC(C)C 270004a_100000763565_100000210432 [0,1,0,0,0,1|1,0,0]=3 1846 B11R0.93 CCC(C)CC(C)NCC(C)O 2230a_100000763565_100011218427 [0,1,0,0,0,1|2,0,0]=4 1847 B11R0.93 CCC(C)CC(C)NCC(C)O 270004a_100000210904_100011710205 [0,1,0,0,0,1|2,0,0]=4 1848 B11R0.93 CCC(C)CC(C)NC[C@@H](C)O 2230a_100000763565_100009817552 [0,1,0,0,0,1|2,0,0]=4 1849 B11R0.93 CCC(C)CN(C)CCC(C)C 2230a_100000742789_100000748023 [0,1,0,0,0,1|2,0,0]=4 1850 B11R0.93 CCC(C)CN(C)CCC(C)C 2230a_100000753921_100000210312 [0,1,0,0,0,1|2,0,0]=4 1851 B11R0.93 CCC(C)CN(C)CCC(C)C 269982a_100000742789_100000748023 [0,1,0,0,0,1|2,0,0]=4 1852 B11R0.93 CCC(C)CN(C)CCC(C)C 269982a_100000753921_100000210312 [0,1,0,0,0,1|2,0,0]=4 1853 B11R0.93 CCC(C)CN(C)CCC(C)C 270004a_100000742789_100000243153 [0,1,0,0,0,1|2,0,0]=4 1854 B11R0.93 CCC(C)CN(C)COC(C)C 2230a_100000753921_100000709892 [0,1,0,0,0,1|2,0,0]=4 1855 B11R0.93 CCC(C)CN(C)COC(C)C 269982a_100000753921_100000709892 [0,1,0,0,0,1|2,0,0]=4 1856 B11R0.93 CCC(C)NC(C)CCC(C)C 2230a_100000209981_100011261404 [0,1,0,0,0,1|2,0,0]=4 1857 B11R0.93 CCC(C)NC(C)CCC(C)C 2230a_100138410893_100000758301 [0,1,0,0,0,1|2,0,0]=4 1858 B11R0.93 CCC(C)NC(C)CCC(C)C 270004a_100000209981_100000210476 [0,1,0,0,0,1|2,0,0]=4 1859 B11R0.93 CCC(C)OC(C)CCC(C)C 34a_100011215350_100011215416 [0,1,0,0,0,1|2,0,0]=4 1860 B11R0.93 CCC(C)OC(C)CCC(C)C 7a_100011215350_100000758301 [0,1,0,0,0,1|2,0,0]=4 1861 B11R0.93 CCC(C)SC(C)CCC(C)C 62a_100000758301_100011261404 [0,1,0,0,0,1|2,0,0]=4 1862 B11R0.93 CCC(C)SC(C)CCC(C)C 62a_100011261404_100000758301 [0,1,0,0,0,1|2,0,0]=4 1863 B11R0.93 CC[C@H](C)CC(=O)CCC(C)C 1458a_100000181311_100009816398 [0,1,0,0,0,1|0,0,2]=4 1864 B11R0.93 CC[C@H](C)CC(=O)COC(C)C 1458a_100000745533_100009816398 [0,1,0,0,0,1|0,0,2]=4 1865 B11R0.93 CC[C@H](C)CC(=O)CSC(C)C 1458a_100000241585_100009816398 [0,1,0,0,0,1|0,0,2]=4 1866 B11R0.93 CC[C@H](C)CN(C)CCC(C)C 2230a_100000742789_100009816398 [0,1,0,0,0,1|2,0,0]=4 1867 B11R0.93 CC[C@H](C)CN(C)CCC(C)C 269982a_100000742789_100009816398 [0,1,0,0,0,1|2,0,0]=4 1868 B11R0.93 COC(=O)C[C@@H](O)CNC(C)C 34a_100138425928_100000754131 [0,1,0,0,0,1|1,0,1]=4 1869 B11R0.93 COC(=O)C[C@@H](O)COC(C)C 34a_100000212225_100000754131 [0,1,0,0,0,1|1,0,1]=4 1870 B11R0.93 COC(=O)C[C@@H](O)CSC(C)C 62a_100000210206_100000754131 [0,1,0,0,0,1|1,0,1]=4 1871 B11R0.93 COC(=O)C[C@@H](O)CSC(C)C 62a_100000754131_100000210206 [0,1,0,0,0,1|1,0,1]=4 1872 B11R0.93 COC(C)SC(C)CCC(C)C 62a_100009879195_100011261404 [0,1,0,0,0,1|2,0,0]=4 1873 B11R0.93 COC(C)SC(C)CCC(C)C 62a_100011261404_100009879195 [0,1,0,0,0,1|2,0,0]=4 1874 B11R0.107 C#CC(C)OC[C@@H](N)CC(C)C 34a_100011830311_200000035995 [0,1,0,0,0,1|1,0,1]=4 1875 B11R0.107 C=CC(C)COC(C)CC(C)C 34a_100011215527_100000731052 [0,1,0,0,0,1|1,0,1]=4 1876 B11R0.107 C=CC(C)COC(C)CC(C)C 7a_100011215527_100000731052 [0,1,0,0,0,1|1,0,1]=4 1877 B11R0.107 CC(C)CC(=O)NCC(C)CO 240690a_100000744482_100000210554 [0,1,0,0,0,1|0,0,2]=4 1878 B11R0.107 CC(C)CC(=O)NCC(C)CO 527a_100000744482_100000210554 [0,1,0,0,0,1|0,0,2]=4 1879 B11R0.107 CC(C)CC(C)NCC(C)CO 34a_100000744482_100000731052 [0,1,0,0,0,1|1,0,0]=3 1880 B11R0.107 CC(C)CC(C)NCC(O)CO 2230a_100000692259_100011219619 [0,1,0,0,0,1|2,0,0]=4 1881 B11R0.107 CC(C)CC(C)NC[C@@H](C)CO 2230a_100000692259_100000059175 [0,1,0,0,0,1|1,0,0]=3 1882 B11R0.107 CC(C)CC(C)NC[C@@H](F)CO 34a_100015665980_100000731052 [0,1,0,0,0,1|2,0,0]=4 1883 B11R0.107 CC(C)CC(C)NC[C@@H](O)CF 2230a_100000692259_100015614560 [0,1,0,0,0,1|2,0,0]=4 1884 B11R0.107 CC(C)CC(C)NC[C@@H](O)CO 2230a_100000692259_100009815848 [0,1,0,0,0,1|2,0,0]=4 1885 B11R0.107 CC(C)CC(C)NC[C@H](O)CO 2230a_100020644852_100000731052 [0,1,0,0,0,1|2,0,0]=4 1886 B11R0.107 CC(C)CC(C)OCC(C)CN 34a_100000744482_100000731052 [0,1,0,0,0,1|1,0,0]=3 1887 B11R0.107 CC(C)CC(C)OCC(Cl)CCl 34a_100000033668_100000731052 [0,1,0,0,0,1|2,0,0]=4 1888 B11R0.107 CC(C)CC(C)OCC(O)CO 34a_100000211805_100011219619 [0,1,0,0,0,1|2,0,0]=4 1889 B11R0.107 CC(C)CC(C)OCC(O)CO 7a_100000211805_100011219619 [0,1,0,0,0,1|2,0,0]=4 1890 B11R0.107 CC(C)CC(C)OC[C@@H](C)CO 34a_100000211805_100000059175 [0,1,0,0,0,1|1,0,0]=3 1891 B11R0.107 CC(C)CC(C)OC[C@@H](C)CO 7a_100000211805_100000059175 [0,1,0,0,0,1|1,0,0]=3 1892 B11R0.107 CC(C)CC(C)OC[C@@H](O)CF 34a_100000211805_100015614560 [0,1,0,0,0,1|2,0,0]=4 1893 B11R0.107 CC(C)CC(C)OC[C@@H](O)CF 7a_100000211805_100015614560 [0,1,0,0,0,1|2,0,0]=4 1894 B11R0.107 CC(C)CC(C)OC[C@@H](O)CO 34a_100000211805_100009815848 [0,1,0,0,0,1|2,0,0]=4 1895 B11R0.107 CC(C)CC(C)OC[C@@H](O)CO 7a_100000211805_100009815848 [0,1,0,0,0,1|2,0,0]=4 1896 B11R0.107 CC(C)CC(C)OC[C@H](F)CN 34a_100015665980_100000731052 [0,1,0,0,0,1|2,0,0]=4 1897 B11R0.107 CC(C)CC(C)SCC(O)CO 62a_100000731052_100011219619 [0,1,0,0,0,1|2,0,0]=4 1898 B11R0.107 CC(C)CC(C)SCC(O)CO 62a_100011219619_100000731052 [0,1,0,0,0,1|2,0,0]=4 1899 B11R0.107 CC(C)CC(C)SC[C@@H](C)CO 62a_100000059175_100000731052 [0,1,0,0,0,1|1,0,0]=3 1900 B11R0.107 CC(C)CC(C)SC[C@@H](C)CO 62a_100000731052_100000059175 [0,1,0,0,0,1|1,0,0]=3 1901 B11R0.107 CC(C)CC(C)SC[C@@H](O)CF 62a_100000731052_100015614560 [0,1,0,0,0,1|2,0,0]=4 1902 B11R0.107 CC(C)CC(C)SC[C@@H](O)CF 62a_100015614560_100000731052 [0,1,0,0,0,1|2,0,0]=4 1903 B11R0.107 CC(C)CC(C)SC[C@@H](O)CO 62a_100000731052_100009815848 [0,1,0,0,0,1|2,0,0]=4 1904 B11R0.107 CC(C)CC(C)SC[C@@H](O)CO 62a_100009815848_100000731052 [0,1,0,0,0,1|2,0,0]=4 1905 B11R0.107 CC(C)C[C@H](N)COC(C)CO 34a_100011830311_100012180447 [0,1,0,0,0,1|1,0,0]=3 1906 B11R0.107 CC(CN(C)C)SC[C@@H](C)CO 62a_100000059175_100020606517 [0,1,0,0,0,1|2,0,0]=4 1907 B11R0.107 CC(CN(C)C)SC[C@@H](C)CO 62a_100020606517_100000059175 [0,1,0,0,0,1|2,0,0]=4 1908 B11R0.107 CC(CN[C@H](C)CO)CN(C)C 2230a_100000737577_100015348159 [0,1,0,0,0,1|2,0,0]=4 1909 B11R0.107 CC(COC(C)CF)CN(C)C 7a_100016041109_100015348159 [0,1,0,0,0,1|2,0,0]=4 1910 B11R0.107 CC(CSC(C)CO)CN(C)C 62a_100012180447_100015348159 [0,1,0,0,0,1|2,0,0]=4 1911 B11R0.107 CC(CS[C@H](C)CO)CN(C)C 62a_100015348159_100016084084 [0,1,0,0,0,1|2,0,0]=4 1912 B11R0.107 CC(CS[C@H](C)CO)CN(C)C 62a_100016084084_100015348159 [0,1,0,0,0,1|2,0,0]=4 1913 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,1,0,0,0,1|0,0,2]=4 1914 B11R0.107 CCC(C)CCC(C)OC(C)C 7a_200011216552_100000210206 [0,1,0,0,0,1|2,0,0]=4 1915 B11R0.107 CCC(C)CNC(=O)CC(C)C 11a_100020588543_100000210554 [0,1,0,0,0,1|0,0,2]=4 1916 B11R0.107 CCC(C)CNC(=O)CC(C)C 1626a_100020588543_100000210554 [0,1,0,0,0,1|0,0,2]=4 1917 B11R0.107 CCC(C)CNC(=O)CC(C)C 240690a_100020588543_100000210554 [0,1,0,0,0,1|0,0,2]=4 1918 B11R0.107 CCC(C)CNC(=O)CC(C)C 527a_100020588543_100000210554 [0,1,0,0,0,1|0,0,2]=4 1919 B11R0.107 CCC(C)CNC(C)CC(C)C 2230a_100000692259_100000748023 [0,1,0,0,0,1|1,0,0]=3 1920 B11R0.107 CCC(C)CNC(C)CC(C)C 2230a_100020588543_100000731052 [0,1,0,0,0,1|1,0,0]=3 1921 B11R0.107 CCC(C)CNC(C)CC(C)C 270004a_100000692259_100000243153 [0,1,0,0,0,1|1,0,0]=3 1922 B11R0.107 CCC(C)COC(C)CC(C)C 34a_100000211805_100000748023 [0,1,0,0,0,1|1,0,0]=3 1923 B11R0.107 CCC(C)COC(C)CC(C)C 7a_100000211805_100000748023 [0,1,0,0,0,1|1,0,0]=3 1924 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000731052_100000748023 [0,1,0,0,0,1|1,0,0]=3 1925 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000748023_100000731052 [0,1,0,0,0,1|1,0,0]=3 1926 B11R0.107 CCC(C)CSC(C)CN(C)C 62a_100000748023_100020606517 [0,1,0,0,0,1|2,0,0]=4 1927 B11R0.107 CCC(C)CSC(C)CN(C)C 62a_100020606517_100000748023 [0,1,0,0,0,1|2,0,0]=4 1928 B11R0.107 CCC(C)NCC(C)CN(C)C 2230a_100000209981_100015348159 [0,1,0,0,0,1|2,0,0]=4 1929 B11R0.107 CCC(C)OCC(C)CN(C)C 7a_100000210228_100015348159 [0,1,0,0,0,1|2,0,0]=4 1930 B11R0.107 CCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100011215416 [0,1,0,0,0,1|1,0,0]=3 1931 B11R0.107 CCC(C)SCC(C)CN(C)C 62a_100000758301_100015348159 [0,1,0,0,0,1|2,0,0]=4 1932 B11R0.107 CCC(C)SCC(C)CN(C)C 62a_100015348159_100000758301 [0,1,0,0,0,1|2,0,0]=4 1933 B11R0.107 CCC(O)CNC(C)CC(C)C 2230a_100000692259_100011218378 [0,1,0,0,0,1|2,0,0]=4 1934 B11R0.107 CCC(O)CNC(C)CC(C)C 2230a_100011218483_100000731052 [0,1,0,0,0,1|2,0,0]=4 1935 B11R0.107 CCC(O)COC(C)CC(C)C 34a_100000211805_100011218378 [0,1,0,0,0,1|2,0,0]=4 1936 B11R0.107 CCC(O)COC(C)CC(C)C 7a_100000211805_100011218378 [0,1,0,0,0,1|2,0,0]=4 1937 B11R0.107 CCC(O)CSC(C)CC(C)C 62a_100000731052_100011218378 [0,1,0,0,0,1|2,0,0]=4 1938 B11R0.107 CCC(O)CSC(C)CC(C)C 62a_100011218378_100000731052 [0,1,0,0,0,1|2,0,0]=4 1939 B11R0.107 CC[C@H](C)CNC(C)CC(C)C 2230a_100000692259_100009816398 [0,1,0,0,0,1|1,0,0]=3 1940 B11R0.107 CC[C@H](C)COC(C)CC(C)C 34a_100000211805_100009816398 [0,1,0,0,0,1|1,0,0]=3 1941 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100000211805_100009816398 [0,1,0,0,0,1|1,0,0]=3 1942 B11R0.107 CC[C@H](C)COC(C)CC(C)C 7a_100009816381_100000731052 [0,1,0,0,0,1|1,0,0]=3 1943 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100000731052_100009816398 [0,1,0,0,0,1|1,0,0]=3 1944 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100009816398_100000731052 [0,1,0,0,0,1|1,0,0]=3 1945 B11R0.107 CC[C@H](C)CSC(C)CN(C)C 62a_100009816398_100020606517 [0,1,0,0,0,1|2,0,0]=4 1946 B11R0.107 CC[C@H](C)CSC(C)CN(C)C 62a_100020606517_100009816398 [0,1,0,0,0,1|2,0,0]=4 1947 B11R0.107 COC(C)COC(C)CC(C)C 34a_100000690652_100000731052 [0,1,0,0,0,1|1,0,0]=3 1948 B11R0.107 COC(C)SCC(C)CN(C)C 62a_100009879195_100015348159 [0,1,0,0,0,1|2,0,0]=4 1949 B11R0.107 COC(C)SCC(C)CN(C)C 62a_100015348159_100009879195 [0,1,0,0,0,1|2,0,0]=4 1950 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 11a_100020591295_100000210554 [0,1,0,0,0,1|0,0,2]=4 1951 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 1626a_100020591295_100000210554 [0,1,0,0,0,1|0,0,2]=4 1952 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 240690a_100020591295_100000210554 [0,1,0,0,0,1|0,0,2]=4 1953 B11R0.107 CO[C@H](C)CNC(=O)CC(C)C 527a_100020591295_100000210554 [0,1,0,0,0,1|0,0,2]=4 1954 B11R0.107 CO[C@H](C)CNC(C)CC(C)C 2230a_100020591295_100000731052 [0,1,0,0,0,1|1,0,0]=3 1955 B11R0.143 C#CC(CC(C)C)OCC(C)C 34a_100011215986_100000210624 [0,1,0,0,0,1|1,0,0]=3 1956 B11R0.143 C#CC(CC(C)C)OCC(C)C 7a_100011215986_100000210760 [0,1,0,0,0,1|1,0,0]=3 1957 B11R0.143 C#CC(CC(C)C)OCC(C)O 34a_100011215986_100011218427 [0,1,0,0,0,1|2,0,0]=4 1958 B11R0.143 C#CC(CC(C)C)OCC(C)O 7a_100011215986_100011218427 [0,1,0,0,0,1|2,0,0]=4 1959 B11R0.143 C#CC(CC(C)C)OC[C@@H](C)O 34a_100011215986_100009817552 [0,1,0,0,0,1|2,0,0]=4 1960 B11R0.143 C#CC(CC(C)C)OC[C@@H](C)O 7a_100011215986_100009817552 [0,1,0,0,0,1|2,0,0]=4 1961 B11R0.143 C=C(C)CN[C@H](CO)CC(C)C 2230a_100011830311_100000748629 [0,1,0,0,0,1|0,0,2]=4 1962 B11R0.143 C=C(C)CN[C@H](CO)CC(C)C 34a_100011830311_100000748629 [0,1,0,0,0,1|0,0,2]=4 1963 B11R0.143 C=CC(CC(C)C)OCC(C)C 34a_100012186643_100000210624 [0,1,0,0,0,1|1,0,0]=3 1964 B11R0.143 C=CC(CC(C)C)OCC(C)C 7a_100012186643_100000210760 [0,1,0,0,0,1|1,0,0]=3 1965 B11R0.143 C=CC(CC(C)C)OCC(C)O 34a_100012186643_100011218427 [0,1,0,0,0,1|2,0,0]=4 1966 B11R0.143 C=CC(CC(C)C)OCC(C)O 7a_100012186643_100011218427 [0,1,0,0,0,1|2,0,0]=4 1967 B11R0.143 C=CC(CC(C)C)OC[C@@H](C)O 34a_100012186643_100009817552 [0,1,0,0,0,1|2,0,0]=4 1968 B11R0.143 C=CC(CC(C)C)OC[C@@H](C)O 7a_100012186643_100009817552 [0,1,0,0,0,1|2,0,0]=4 1969 B11R0.143 CC(=O)NCC(CO)CC(C)C 240690a_200000723437_100015343762 [0,1,0,0,0,1|1,0,1]=4 1970 B11R0.143 CC(=O)NCC(CO)CC(C)C 527a_200000723437_100103153847 [0,1,0,0,0,1|1,0,1]=4 1971 B11R0.143 CC(C)CC(C#N)NCC(C)O 2230a_100000741378_100011218427 [0,1,0,0,0,1|2,0,0]=4 1972 B11R0.143 CC(C)CC(C#N)NC[C@@H](C)O 2230a_100000741378_100009817552 [0,1,0,0,0,1|2,0,0]=4 1973 B11R0.143 CC(C)CC(C#N)OCC(C)O 34a_200011294978_100011218427 [0,1,0,0,0,1|2,0,0]=4 1974 B11R0.143 CC(C)CC(C#N)OCC(C)O 7a_200011294978_100011218427 [0,1,0,0,0,1|2,0,0]=4 1975 B11R0.143 CC(C)CC(C#N)OC[C@@H](C)O 34a_200011294978_100009817552 [0,1,0,0,0,1|2,0,0]=4 1976 B11R0.143 CC(C)CC(C#N)OC[C@@H](C)O 7a_200011294978_100009817552 [0,1,0,0,0,1|2,0,0]=4 1977 B11R0.143 CC(C)CC(CN)COC(C)C 34a_200000723437_100000210206 [0,1,0,0,0,1|1,0,0]=3 1978 B11R0.143 CC(C)CC(CO)CNC(C)C 34a_200000723437_100000210206 [0,1,0,0,0,1|0,0,0]=2 1979 B11R0.143 CC(C)CNC(C#N)CC(C)C 2230a_100000741378_100000210760 [0,1,0,0,0,1|1,0,0]=3 1980 B11R0.143 CC(C)CNC(C#N)CC(C)C 270004a_100000741378_100000210432 [0,1,0,0,0,1|1,0,0]=3 1981 B11R0.143 CC(C)CN[C@H](CO)CC(C)C 2230a_100011830311_100000210760 [0,1,0,0,0,1|0,0,0]=2 1982 B11R0.143 CC(C)CN[C@H](CO)CC(C)C 270004a_100011830311_100000210432 [0,1,0,0,0,1|0,0,0]=2 1983 B11R0.143 CC(C)CN[C@H](CO)CC(C)C 34a_100011830311_100000210624 [0,1,0,0,0,1|0,0,0]=2 1984 B11R0.143 CC(C)COC(C#N)CC(C)C 34a_200011294978_100000210624 [0,1,0,0,0,1|1,0,0]=3 1985 B11R0.143 CC(C)COC(C#N)CC(C)C 7a_200011294978_100000210760 [0,1,0,0,0,1|1,0,0]=3 1986 B11R0.143 CC(C)C[C@@H](CO)NCC(C)O 2230a_100011830311_100011218427 [0,1,0,0,0,1|1,0,0]=3 1987 B11R0.143 CC(C)C[C@@H](CO)NCC(C)O 34a_100011830311_100011218427 [0,1,0,0,0,1|1,0,0]=3 1988 B11R0.143 CC(C)C[C@@H](CO)NCC(F)F 2230a_100011830311_100011934356 [0,1,0,0,0,1|2,0,0]=4 1989 B11R0.143 CC(C)C[C@@H](CO)NCC(F)F 34a_100011830311_100011934356 [0,1,0,0,0,1|2,0,0]=4 1990 B11R0.143 CC(C)C[C@@H](CO)NC[C@@H](C)O 2230a_100011830311_100009817552 [0,1,0,0,0,1|1,0,0]=3 1991 B11R0.143 CC(C)C[C@@H](CO)NC[C@@H](C)O 34a_100011830311_100009817552 [0,1,0,0,0,1|1,0,0]=3 1992 B11R0.143 CCC(CCC(C)C)OC(C)C 34a_100011216567_100000210206 [0,1,0,0,0,1|2,0,0]=4 1993 B11R0.143 CCC(CCC(C)C)OC(C)C 7a_100011216567_100000210206 [0,1,0,0,0,1|2,0,0]=4 1994 B11R0.143 CCC(COC(C)C)CC(C)C 34a_100012186708_100000210206 [0,1,0,0,0,1|1,0,0]=3 1995 B11R0.143 CCC(COC(C)C)CC(C)C 7a_100012186708_100000210206 [0,1,0,0,0,1|1,0,0]=3 1996 B11R0.143 CCN(CCC(C)C)CC(C)C 2230a_100000207693_100000210760 [0,1,0,0,0,1|2,0,0]=4 1997 B11R0.143 CCN(CCC(C)C)CC(C)C 2230a_100000738554_100000210312 [0,1,0,0,0,1|2,0,0]=4 1998 B11R0.143 CCN(CCC(C)C)CC(C)C 269982a_100000207693_100000210624 [0,1,0,0,0,1|2,0,0]=4 1999 B11R0.143 CCN(CCC(C)C)CC(C)C 269982a_100000738554_100000210312 [0,1,0,0,0,1|2,0,0]=4 2000 B11R0.143 CCN(CCC(C)C)CC(C)C 270004a_100000207693_100000210432 [0,1,0,0,0,1|2,0,0]=4 2001 B11R0.143 CCN(COC(C)C)CC(C)C 2230a_100000738554_100000709892 [0,1,0,0,0,1|2,0,0]=4 2002 B11R0.143 CCN(COC(C)C)CC(C)C 269982a_100000738554_100000709892 [0,1,0,0,0,1|2,0,0]=4 2003 B11R0.149 C=C(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000748629 [0,1,0,0,0,1|0,0,2]=4 2004 B11R0.149 CC(C)CC(=O)C(C)CC(C)C 1458a_100000210554_100000731052 [0,1,0,0,0,1|1,0,0]=3 2005 B11R0.149 CC(C)CC(=O)C(C)CN(C)C 1458a_200015186601_100000210624 [0,1,0,0,0,1|2,0,0]=4 2006 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 11a_100000747067_100000210554 [0,1,0,0,0,1|0,0,2]=4 2007 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 1626a_100000747067_100000210554 [0,1,0,0,0,1|0,0,2]=4 2008 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 240690a_100000747067_100000210554 [0,1,0,0,0,1|0,0,2]=4 2009 B11R0.149 CC(C)CC(=O)N(C)CC(C)C 527a_100000747067_100000210554 [0,1,0,0,0,1|0,0,2]=4 2010 B11R0.149 CC(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210624 [0,1,0,0,0,1|0,0,0]=2 2011 B11R0.149 CC(C)CC(C)C(=O)CN(C)C 1458a_100000750896_100000731052 [0,1,0,0,0,1|2,0,0]=4 2012 B11R0.149 CC(C)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000731052 [0,1,0,0,0,1|2,0,0]=4 2013 B11R0.149 CC(C)CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000731052 [0,1,0,0,0,1|2,0,0]=4 2014 B11R0.149 CC(C)CC(C)N(C)CC(C)C 2230a_100000745462_100000210760 [0,1,0,0,0,1|1,0,0]=3 2015 B11R0.149 CC(C)CC(C)N(C)CC(C)C 2230a_100000747067_100000731052 [0,1,0,0,0,1|1,0,0]=3 2016 B11R0.149 CC(C)CC(C)N(C)CC(C)C 269982a_100000745462_100000210624 [0,1,0,0,0,1|1,0,0]=3 2017 B11R0.149 CC(C)CC(C)N(C)CC(C)C 269982a_100000747067_100000731052 [0,1,0,0,0,1|1,0,0]=3 2018 B11R0.149 CC(C)CC(C)N(C)CC(C)C 270004a_100000745462_100000210432 [0,1,0,0,0,1|1,0,0]=3 2019 B11R0.149 CC(C)CC(C)N(C)CC(C)O 2230a_100000227577_100000731052 [0,1,0,0,0,1|2,0,0]=4 2020 B11R0.149 CC(C)CC(C)N(C)CC(C)O 2230a_100000745462_100011218427 [0,1,0,0,0,1|2,0,0]=4 2021 B11R0.149 CC(C)CC(C)N(C)CC(C)O 269982a_100000227577_100000731052 [0,1,0,0,0,1|2,0,0]=4 2022 B11R0.149 CC(C)CC(C)N(C)CC(C)O 269982a_100000745462_100011218427 [0,1,0,0,0,1|2,0,0]=4 2023 B11R0.149 CC(C)CC(C)N(C)C[C@@H](C)O 2230a_100000745462_100009817552 [0,1,0,0,0,1|2,0,0]=4 2024 B11R0.149 CC(C)CC(C)N(C)C[C@@H](C)O 269982a_100000745462_100009817552 [0,1,0,0,0,1|2,0,0]=4 2025 B11R0.149 CC(C)CN(C)C(C)CN(C)C 269982a_100000747067_100020606517 [0,1,0,0,0,1|2,0,0]=4 2026 B11R0.149 CC(C)C[C@H](O)C(=O)CC(C)O 1458a_100012027011_100011218427 [0,1,0,0,0,1|1,0,0]=3 2027 B11R0.149 CC(C)C[C@H](O)C(=O)CC(F)F 1458a_100012027011_100011934356 [0,1,0,0,0,1|2,0,0]=4 2028 B11R0.149 CC(C)C[C@H](O)C(=O)NC(C)C 1626a_100138425928_100012027011 [0,1,0,0,0,1|0,0,1]=3 2029 B11R0.149 CC(C)C[C@H](O)C(=O)NC(C)C 240690a_100138425928_100012027011 [0,1,0,0,0,1|0,0,1]=3 2030 B11R0.173 CC(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000210312 [0,1,0,0,0,1|0,0,2]=4 2031 B11R0.173 CC(C)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210312 [0,1,0,0,0,1|0,0,2]=4 2032 B11R0.173 CC(C)CCC(C)C(=O)C(C)C 1458a_100000210198_100011261404 [0,1,0,0,0,1|1,0,1]=4 2033 B11R0.173 CC(C)CCC(C)N(C)C(C)C 269982a_200000211004_100011261404 [0,1,0,0,0,1|2,0,0]=4 2034 B11R0.173 CC(C)CCC(C)N(C)C(C)C 270004a_200000211004_100000210476 [0,1,0,0,0,1|2,0,0]=4 2035 B11R0.173 CC(C)CCN(C)C(C)C(C)C 2230a_100000228512_100000210312 [0,1,0,0,0,1|2,0,0]=4 2036 B11R0.173 CC(C)CCN(C)C(C)C(C)C 269982a_100000228512_100000210312 [0,1,0,0,0,1|2,0,0]=4 2037 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 11a_100000210953_100000755409 [0,1,0,0,0,1|0,0,2]=4 2038 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 1626a_100000210953_100000755409 [0,1,0,0,0,1|0,0,2]=4 2039 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 240690a_100000210953_100000755409 [0,1,0,0,0,1|0,0,2]=4 2040 B11R0.173 CC(C)CNC(=O)C(C)C(C)C 527a_100000210953_100000755409 [0,1,0,0,0,1|0,0,2]=4 2041 B11R0.173 CC(C)CNC(=O)[C@H](O)C(C)C 240690a_100000210953_100000691806 [0,1,0,0,0,1|0,0,2]=4 2042 B11R0.173 CC(C)CNC(C)C(=O)C(C)C 2230a_100000210953_100009893295 [0,1,0,0,0,1|1,0,1]=4 2043 B11R0.173 CC(C)CSC(C)C(=O)C(C)C 62a_100000210624_100009893295 [0,1,0,0,0,1|1,0,1]=4 2044 B11R0.173 CC(C)CSC(C)C(=O)C(C)C 62a_100009893295_100000210760 [0,1,0,0,0,1|1,0,1]=4 2045 B11R0.173 CC(C)OCN(C)C(C)C(C)C 2230a_100000228512_100000709892 [0,1,0,0,0,1|2,0,0]=4 2046 B11R0.173 CC(C)OCN(C)C(C)C(C)C 269982a_100000228512_100000709892 [0,1,0,0,0,1|2,0,0]=4 2047 B11R0.232 CC(C)CC(C)(C)NCC(C)O 2230a_100011346068_100011218427 [0,1,0,0,0,1|2,0,0]=4 2048 B11R0.232 CC(C)CC(C)(C)NC[C@@H](C)O 2230a_100011346068_100009817552 [0,1,0,0,0,1|2,0,0]=4 2049 B11R0.232 CC(C)CCC(C)(C)NC(C)C 34a_100138425928_200000037585 [0,1,0,0,0,1|2,0,0]=4 2050 B11R0.232 CC(C)CCC(C)(C)OC(C)C 34a_100000212225_200000037585 [0,1,0,0,0,1|2,0,0]=4 2051 B11R0.232 CC(C)CCC(C)(C)OC(C)C 7a_200011218267_100000210206 [0,1,0,0,0,1|2,0,0]=4 2052 B11R0.232 CC(C)CCC(C)(C)SC(C)C 62a_100000210206_200000037585 [0,1,0,0,0,1|2,0,0]=4 2053 B11R0.232 CC(C)CCC(C)(C)SC(C)C 62a_200000037585_100000210206 [0,1,0,0,0,1|2,0,0]=4 2054 B11R0.232 CC(C)CNC(C)(C)CC(C)C 2230a_100011346068_100000210760 [0,1,0,0,0,1|1,0,0]=3 2055 B11R0.232 CC(C)CNC(C)(C)CC(C)C 270004a_100011346068_100000210432 [0,1,0,0,0,1|1,0,0]=3 2056 B11R0.232 CC(C)CNC(C)(C)CN(C)C 2230a_100015183317_100000210760 [0,1,0,0,0,1|2,0,0]=4 2057 B11R0.232 CC(C)CNS(=O)(=O)CC(C)C 270084a_100000210953_100000748289 [0,1,0,0,0,1|1,0,1]=4 2058 B11R0.232 CC(C)CNS(=O)(=O)CC(C)C 274078a_100000210953_100000748289 [0,1,0,0,0,1|1,0,1]=4 2059 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000210554_100000755188 [0,1,0,0,0,1|0,0,2]=4 2060 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000210624 [0,1,0,0,0,1|0,0,2]=4 2061 B11R0.337 CC(C)CC(=O)COC(C)(C)C 1458a_100000686494_100000210624 [0,1,0,0,0,1|0,0,2]=4 2062 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 11a_100000743828_100000210554 [0,1,0,0,0,1|0,0,2]=4 2063 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 1626a_100000743828_100000210554 [0,1,0,0,0,1|0,0,2]=4 2064 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 240690a_100000743828_100000210554 [0,1,0,0,0,1|0,0,2]=4 2065 B11R0.337 CC(C)CC(=O)NCC(C)(C)C 527a_100000743828_100000210554 [0,1,0,0,0,1|0,0,2]=4 2066 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 11a_100020643315_100000210554 [0,1,0,0,0,1|0,0,2]=4 2067 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 1626a_100020643315_100000210554 [0,1,0,0,0,1|0,0,2]=4 2068 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 240690a_100020643315_100000210554 [0,1,0,0,0,1|0,0,2]=4 2069 B11R0.337 CC(C)CC(=O)NCC(C)(C)F 527a_100020643315_100000210554 [0,1,0,0,0,1|0,0,2]=4 2070 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 1626a_100000751335_100000210554 [0,1,0,0,0,1|0,0,2]=4 2071 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 240690a_100000751335_100000210554 [0,1,0,0,0,1|0,0,2]=4 2072 B11R0.337 CC(C)CC(=O)NCC(C)(C)O 527a_100000751335_100000210554 [0,1,0,0,0,1|0,0,2]=4 2073 B11R0.337 CC(C)CC(C)NCC(C)(C)C 2230a_100000743828_100000731052 [0,1,0,0,0,1|1,0,0]=3 2074 B11R0.337 CC(C)CC(C)NCC(C)(C)C 270004a_100000692259_100011204126 [0,1,0,0,0,1|1,0,0]=3 2075 B11R0.337 CC(C)CC(C)NCC(C)(C)F 2230a_100020643315_100000731052 [0,1,0,0,0,1|1,0,0]=3 2076 B11R0.337 CC(C)CC(C)NCC(C)(C)O 2230a_100000751335_100000731052 [0,1,0,0,0,1|1,0,0]=3 2077 B11R0.337 CC(C)CC(C)NC[Si](C)(C)C 2230a_100000692259_100000037933 [0,1,0,0,0,1|1,1,0]=4 2078 B11R0.337 CC(C)CC(C)OCC(C)(C)C 34a_100000211805_100011219605 [0,1,0,0,0,1|1,0,0]=3 2079 B11R0.337 CC(C)CC(C)OCC(C)(C)F 34a_100000211805_100011997219 [0,1,0,0,0,1|1,0,0]=3 2080 B11R0.337 CC(C)CC(C)OCC(C)(C)F 34a_100000716592_100000731052 [0,1,0,0,0,1|1,0,0]=3 2081 B11R0.337 CC(C)CC(C)OCC(C)(C)O 34a_100000211805_100000764493 [0,1,0,0,0,1|1,0,0]=3 2082 B11R0.337 CC(C)CC(C)OCC(C)(C)O 7a_100000211805_100000764493 [0,1,0,0,0,1|1,0,0]=3 2083 B11R0.337 CC(C)CC(C)OCC(C)(F)F 34a_100000068830_100000731052 [0,1,0,0,0,1|2,0,0]=4 2084 B11R0.337 CC(C)CC(C)OC[Si](C)(C)C 7a_100000211805_100000233785 [0,1,0,0,0,1|1,1,0]=4 2085 B11R0.337 CC(C)CC(C)SCC(C)(C)C 62a_100000731052_100011219605 [0,1,0,0,0,1|1,0,0]=3 2086 B11R0.337 CC(C)CC(C)SCC(C)(C)C 62a_100011219605_100000731052 [0,1,0,0,0,1|1,0,0]=3 2087 B11R0.337 CC(C)CC(C)SCC(C)(C)F 62a_100000731052_100011997219 [0,1,0,0,0,1|1,0,0]=3 2088 B11R0.337 CC(C)CC(C)SCC(C)(C)F 62a_100011997219_100000731052 [0,1,0,0,0,1|1,0,0]=3 2089 B11R0.337 CC(C)CC(C)SCC(C)(C)O 62a_100000731052_100000764493 [0,1,0,0,0,1|1,0,0]=3 2090 B11R0.337 CC(C)CC(C)SCC(C)(C)O 62a_100000764493_100000731052 [0,1,0,0,0,1|1,0,0]=3 2091 B11R0.337 CC(C)CC(C)SC[N+](C)(C)C 62a_100000731052_200000036245 [0,1,0,0,0,1|2,0,0]=4 2092 B11R0.337 CC(C)CC(C)SC[N+](C)(C)C 62a_200000036245_100000731052 [0,1,0,0,0,1|2,0,0]=4 2093 B11R0.337 CC(C)CC(C)SC[Si](C)(C)C 62a_100000037933_100000731052 [0,1,0,0,0,1|1,1,0]=4 2094 B11R0.337 CC(C)CC(C)SC[Si](C)(C)C 62a_100000731052_100000037933 [0,1,0,0,0,1|1,1,0]=4 2095 B11R0.337 CC(C)CN(C)CCC(C)(C)C 2230a_100000747067_100000755188 [0,1,0,0,0,1|2,0,0]=4 2096 B11R0.337 CC(C)CN(C)CCC(C)(C)C 269982a_100000747067_100000755188 [0,1,0,0,0,1|2,0,0]=4 2097 B11R0.337 CC(C)CN(C)CCC(C)(C)O 2230a_100000747067_100000702414 [0,1,0,0,0,1|2,0,0]=4 2098 B11R0.337 CC(C)C[C@H](N)COC(C)(C)C 34a_100011830311_100000210625 [0,1,0,0,0,1|1,0,0]=3 2099 B11R0.337 CC(C)OC(C)COC(C)(C)C 7a_100011215624_100000210206 [0,1,0,0,0,1|2,0,0]=4 2100 B11R0.337 CC(CN(C)C)SCC(C)(C)C 62a_100011219605_100020606517 [0,1,0,0,0,1|2,0,0]=4 2101 B11R0.337 CC(CN(C)C)SCC(C)(C)C 62a_100020606517_100011219605 [0,1,0,0,0,1|2,0,0]=4 2102 B11R0.337 CC(CN(C)C)SCC(C)(C)F 62a_100011997219_100020606517 [0,1,0,0,0,1|2,0,0]=4 2103 B11R0.337 CC(CN(C)C)SCC(C)(C)F 62a_100020606517_100011997219 [0,1,0,0,0,1|2,0,0]=4 2104 B11R0.337 CC(CN(C)C)SCC(C)(C)O 62a_100000764493_100020606517 [0,1,0,0,0,1|2,0,0]=4 2105 B11R0.337 CC(CN(C)C)SCC(C)(C)O 62a_100020606517_100000764493 [0,1,0,0,0,1|2,0,0]=4 2106 B11R0.337 CC(CNC(C)(C)C)CN(C)C 2230a_100000715429_100015348159 [0,1,0,0,0,1|2,0,0]=4 2107 B11R0.337 CC(COC(C)(C)C)CN(C)C 7a_100015890283_100015348159 [0,1,0,0,0,1|2,0,0]=4 2108 B11R0.337 CC(CSC(C)(C)C)CN(C)C 62a_100000211941_100015348159 [0,1,0,0,0,1|2,0,0]=4 2109 B11R0.337 CC(CSC(C)(C)C)CN(C)C 62a_100015348159_100000211941 [0,1,0,0,0,1|2,0,0]=4 2110 B11R0.51 CC(C)CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_100000210624 [0,2,0,0,0,0|0,0,2]=4 2111 B11R0.51 CC(C)CC(C)C(=O)C(C)(C)C 1458a_106744555173_100000731052 [0,2,0,0,0,0|1,0,1]=4 2112 B11R0.51 CC(C)CC(C)C(=O)C(C)(C)F 1458a_100000765255_100000731052 [0,2,0,0,0,0|1,0,1]=4 2113 B11R0.51 CC(C)CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000731052 [0,2,0,0,0,0|1,0,1]=4 2114 B11R0.51 CC(C)CC(C)N(C)C(C)(C)C 269982a_100000745462_100000210625 [0,2,0,0,0,0|2,0,0]=4 2115 B11R0.51 CC(C)CC(C)N(C)C(C)(C)C 269982a_100011215553_100000731052 [0,2,0,0,0,0|2,0,0]=4 2116 B11R0.51 CC(C)CN(C)C(C)C(C)(C)C 2230a_100000745498_100000210760 [0,2,0,0,0,0|2,0,0]=4 2117 B11R0.51 CC(C)CN(C)C(C)C(C)(C)C 269982a_100000745498_100000210624 [0,2,0,0,0,0|2,0,0]=4 2118 B11R0.51 CC(C)CN(C)C(C)C(C)(C)C 270004a_100000745498_100000210432 [0,2,0,0,0,0|2,0,0]=4 2119 B11R0.63 C#CC(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000035995 [0,2,0,0,0,0|0,0,2]=4 2120 B11R0.63 CC(C)CC(C)N(C)C(C)CO 2230a_100000693034_100000731052 [0,2,0,0,0,0|2,0,0]=4 2121 B11R0.63 CC(C)CC(C)N(C)C(C)CO 2230a_100000745462_100012180447 [0,2,0,0,0,0|2,0,0]=4 2122 B11R0.63 CC(C)CC(C)N(C)C(C)CO 269982a_100000693034_100000731052 [0,2,0,0,0,0|2,0,0]=4 2123 B11R0.63 CC(C)CC(C)N(C)[C@H](C)CO 269982a_100000745462_100016084084 [0,2,0,0,0,0|2,0,0]=4 2124 B11R0.63 CC(C)C[C@H](O)C(=O)C(C)C#N 1458a_100012027011_100000703298 [0,2,0,0,0,0|0,0,2]=4 2125 B11R0.63 CCC(C)C(=O)C(C)CC(C)C 1458a_100011192722_100000731052 [0,2,0,0,0,0|1,0,1]=4 2126 B11R0.63 CCC(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000758301 [0,2,0,0,0,0|0,0,1]=3 2127 B11R0.63 CCC(C)C(C)C(C)OC(C)C 7a_200011290770_100000210206 [0,2,0,0,0,0|2,0,0]=4 2128 B11R0.63 CCC(C)C(C)N(C)CC(C)C 270004a_100000747067_100000210599 [0,2,0,0,0,0|2,0,0]=4 2129 B11R0.63 CCC(C)N(C)C(C)CC(C)C 2230a_100000741768_100000731052 [0,2,0,0,0,0|2,0,0]=4 2130 B11R0.63 CCC(C)N(C)C(C)CC(C)C 2230a_100000745462_100000758301 [0,2,0,0,0,0|2,0,0]=4 2131 B11R0.63 CCC(C)N(C)C(C)CC(C)C 269982a_100000741768_100000731052 [0,2,0,0,0,0|2,0,0]=4 2132 B11R0.63 CCC(C)N(C)C(C)CC(C)C 269982a_100000745462_100000758301 [0,2,0,0,0,0|2,0,0]=4 2133 B11R0.63 CCN(C)C(=O)[C@@H](O)CC(C)C 1626a_100000225621_100012027011 [0,2,0,0,0,0|1,0,1]=4 2134 B11R0.63 CCN(C)C(=O)[C@@H](O)CC(C)C 240690a_100000225621_100012027011 [0,2,0,0,0,0|1,0,1]=4 2135 B11R0.63 COC(C)C(=O)C(C)CC(C)C 1458a_100000743197_100000731052 [0,2,0,0,0,0|1,0,1]=4 2136 B11R0.63 COC(C)N(C)C(C)CC(C)C 269982a_100000745462_100009879195 [0,2,0,0,0,0|2,0,0]=4 2137 B11R0.63 CSC(C)C(=O)C(C)CC(C)C 1458a_100000149566_100000731052 [0,2,0,0,0,0|1,0,1]=4 2138 B11R0.92 CC(C)C(C)C(=O)C[C@@H](C)CO 1458a_100000755409_100000059175 [0,2,0,0,0,0|0,0,2]=4 2139 B11R0.92 CC(C)C(C)N(C)C[C@@H](C)CO 2230a_100000228512_100000059175 [0,2,0,0,0,0|2,0,0]=4 2140 B11R0.92 CC(C)C(C)N(C)C[C@@H](C)CO 269982a_100000228512_100000059175 [0,2,0,0,0,0|2,0,0]=4 2141 B11R0.92 CC(C)[C@@H](O)C(=O)C[C@@H](C)CO 1458a_100000691806_100000059175 [0,2,0,0,0,0|0,0,2]=4 2142 B11R0.92 CCC(C)CC(=O)C(C)C(C)C 1458a_100000755409_100000748023 [0,2,0,0,0,0|0,0,2]=4 2143 B11R0.92 CCC(C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100000748023 [0,2,0,0,0,0|0,0,2]=4 2144 B11R0.92 CCC(C)CC(C)N(C)C(C)C 270004a_200000211004_100011710205 [0,2,0,0,0,0|2,0,0]=4 2145 B11R0.92 CCC(C)CN(C)C(C)C(C)C 2230a_100000228512_100000748023 [0,2,0,0,0,0|2,0,0]=4 2146 B11R0.92 CCC(C)CN(C)C(C)C(C)C 269982a_100000228512_100000748023 [0,2,0,0,0,0|2,0,0]=4 2147 B11R0.92 CCC(C)CN(C)C(C)C(C)C 270004a_100000228512_100000243153 [0,2,0,0,0,0|2,0,0]=4 2148 B11R0.92 CC[C@H](C)CC(=O)C(C)C(C)C 1458a_100000755409_100009816398 [0,2,0,0,0,0|0,0,2]=4 2149 B11R0.92 CC[C@H](C)CC(=O)[C@H](O)C(C)C 1458a_100000691806_100009816398 [0,2,0,0,0,0|0,0,2]=4 2150 B11R0.92 CC[C@H](C)CN(C)C(C)C(C)C 2230a_100000228512_100009816398 [0,2,0,0,0,0|2,0,0]=4 2151 B11R0.92 CC[C@H](C)CN(C)C(C)C(C)C 269982a_100000228512_100009816398 [0,2,0,0,0,0|2,0,0]=4 2152 B11R0.144 CCN(CC(C)C)C(C)C(C)C 2230a_100000746363_100000210760 [0,2,0,0,0,0|2,0,0]=4 2153 B11R0.144 CCN(CC(C)C)C(C)C(C)C 269982a_100000746363_100000210624 [0,2,0,0,0,0|2,0,0]=4 2154 B11R0.144 CCN(CC(C)C)C(C)C(C)C 270004a_100000746363_100000210432 [0,2,0,0,0,0|2,0,0]=4 2155 B11R0.282 CCC(C(C)C)N(C)CC(C)C 270004a_100000747067_100000210600 [0,2,0,0,0,0|2,0,0]=4 2156 B11R0.282 CCN(C(C)C)C(C)CC(C)C 2230a_100000223864_100000731052 [0,2,0,0,0,0|2,0,0]=4 2157 B11R0.282 CCN(C(C)C)C(C)CC(C)C 269982a_100000223864_100000731052 [0,2,0,0,0,0|2,0,0]=4 2158 B11R0.308 CC(C)C(C)N(C)CC(C)(C)C 270004a_100000228512_100011204126 [0,2,0,0,0,0|2,0,0]=4 2159 B11R0.335 CC(C)CC(C)(O)C(=O)C(C)C 1458a_100011434877_100000210206 [0,2,0,0,0,0|0,0,1]=3 2160 B11R0.335 CC(C)CC(C)(O)C(=O)N(C)C 240690a_100102631434_100011434877 [0,2,0,0,0,0|1,0,1]=4 2161 B11R0.119 CC(CO)N[C@@H](C)CC(C)(C)C 2230a_106358413534_100012180447 [0,2,0,0,0,0|2,0,0]=4 2162 B11R0.119 CC(CO)OC(C)CC(C)(C)C 7a_200011218616_100012180447 [0,2,0,0,0,0|2,0,0]=4 2163 B11R0.119 CCC(C)CC(=O)CC(C)(C)C 1458a_100000211214_100000748023 [0,2,0,0,0,0|0,0,2]=4 2164 B11R0.119 CCC(C)CC(=O)CC(C)(C)O 1458a_100000693243_100000748023 [0,2,0,0,0,0|0,0,2]=4 2165 B11R0.119 CCC(C)CN(C)CC(C)(C)C 2230a_100000742839_100000748023 [0,2,0,0,0,0|2,0,0]=4 2166 B11R0.119 CCC(C)CN(C)CC(C)(C)C 269982a_100000742839_100000748023 [0,2,0,0,0,0|2,0,0]=4 2167 B11R0.119 CCC(C)CN(C)CC(C)(C)C 270004a_100000742839_100000243153 [0,2,0,0,0,0|2,0,0]=4 2168 B11R0.119 CCC(C)CN(C)CC(C)(C)C 270004a_100000753921_100011204126 [0,2,0,0,0,0|2,0,0]=4 2169 B11R0.119 CCC(C)CN(C)CC(C)(C)O 2230a_100000755907_100000748023 [0,2,0,0,0,0|2,0,0]=4 2170 B11R0.119 CCC(C)CN(C)CC(C)(C)O 269982a_100000755907_100000748023 [0,2,0,0,0,0|2,0,0]=4 2171 B11R0.119 CCC(C)CN(C)CC(C)(C)O 270004a_100000755907_100000243153 [0,2,0,0,0,0|2,0,0]=4 2172 B11R0.119 CCC(C)N[C@@H](C)CC(C)(C)C 2230a_106358413534_100000758301 [0,2,0,0,0,0|2,0,0]=4 2173 B11R0.119 CCC(C)OC(C)CC(C)(C)C 7a_200011218616_100000758301 [0,2,0,0,0,0|2,0,0]=4 2174 B11R0.119 CCN(C)CC(O)C[N+](C)(C)C 2230a_100000225621_100000032816 [0,2,0,0,0,0|2,0,0]=4 2175 B11R0.119 CCN(C)CC(O)C[N+](C)(C)C 269982a_100000225621_100000032816 [0,2,0,0,0,0|2,0,0]=4 2176 B11R0.119 CC[C@H](C)CC(=O)CC(C)(C)C 1458a_100000211214_100009816398 [0,2,0,0,0,0|0,0,2]=4 2177 B11R0.119 CC[C@H](C)CC(=O)CC(C)(C)O 1458a_100000693243_100009816398 [0,2,0,0,0,0|0,0,2]=4 2178 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)C 2230a_100000742839_100009816398 [0,2,0,0,0,0|2,0,0]=4 2179 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)C 269982a_100000742839_100009816398 [0,2,0,0,0,0|2,0,0]=4 2180 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O 2230a_100000755907_100009816398 [0,2,0,0,0,0|2,0,0]=4 2181 B11R0.119 CC[C@H](C)CN(C)CC(C)(C)O 269982a_100000755907_100009816398 [0,2,0,0,0,0|2,0,0]=4 2182 B11R0.119 C[C@@H](CO)CC(=O)CC(C)(C)C 1458a_100000211214_100000059175 [0,2,0,0,0,0|0,0,2]=4 2183 B11R0.119 C[C@@H](CO)CC(=O)CC(C)(C)O 1458a_100000693243_100000059175 [0,2,0,0,0,0|0,0,2]=4 2184 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)C 2230a_100000742839_100000059175 [0,2,0,0,0,0|2,0,0]=4 2185 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)C 269982a_100000742839_100000059175 [0,2,0,0,0,0|2,0,0]=4 2186 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 2230a_100000755907_100000059175 [0,2,0,0,0,0|2,0,0]=4 2187 B11R0.119 C[C@@H](CO)CN(C)CC(C)(C)O 269982a_100000755907_100000059175 [0,2,0,0,0,0|2,0,0]=4 2188 B11R0.208 CC(C)NC(C)(C)CC(C)(C)C 2230a_100000211918_100000210206 [0,2,0,0,0,0|2,0,0]=4 2189 B11R0.208 CC(C)OC(C)(C)CC(C)(C)C 7a_100000065652_100000210206 [0,2,0,0,0,0|2,0,0]=4 2190 B11R0.274 C#CC(CC(C)C)OC(C)(C)C 34a_100011215986_100000210625 [0,2,0,0,0,0|2,0,0]=4 2191 B11R0.274 C=CC(CC(C)C)OC(C)(C)C 34a_100012186643_100000210625 [0,2,0,0,0,0|2,0,0]=4 2192 B11R0.274 CC(C)CC(C#N)OC(C)(C)C 34a_200011294978_100000210625 [0,2,0,0,0,0|2,0,0]=4 2193 B11R0.274 CC(C)C[C@@H](CO)NC(C)(C)C 34a_100011830311_100000210625 [0,2,0,0,0,0|1,0,0]=3 2194 B11R0.274 CCN(CC(C)C)CC(C)(C)C 2230a_100000732750_100000210760 [0,2,0,0,0,0|2,0,0]=4 2195 B11R0.274 CCN(CC(C)C)CC(C)(C)C 269982a_100000732750_100000210624 [0,2,0,0,0,0|2,0,0]=4 2196 B11R0.274 CCN(CC(C)C)CC(C)(C)C 270004a_100000732750_100000210432 [0,2,0,0,0,0|2,0,0]=4 2197 B11R0.274 CCN(CC(C)C)CC(C)(C)C 270004a_100000738554_100011204126 [0,2,0,0,0,0|2,0,0]=4 2198 B11R0.274 CCN(CC(C)C)CC(C)(C)O 2230a_100000755687_100000210760 [0,2,0,0,0,0|2,0,0]=4 2199 B11R0.274 CCN(CC(C)C)CC(C)(C)O 269982a_100000755687_100000210624 [0,2,0,0,0,0|2,0,0]=4 2200 B11R0.274 CCN(CC(C)C)CC(C)(C)O 270004a_100000755687_100000210432 [0,2,0,0,0,0|2,0,0]=4 2201 B11R0.300 C#CC(C)(C)NC(C)CC(C)C 34a_100000054563_100000731052 [0,2,0,0,0,0|2,0,0]=4 2202 B11R0.300 C#CC(C)(C)OC(C)CC(C)C 34a_100000189450_100000731052 [0,2,0,0,0,0|2,0,0]=4 2203 B11R0.300 C#CC(C)(C)OC(C)CC(C)C 34a_100000211805_100000038118 [0,2,0,0,0,0|2,0,0]=4 2204 B11R0.300 C#CC(C)(C)OC(C)CC(C)C 7a_100000189450_100000731052 [0,2,0,0,0,0|2,0,0]=4 2205 B11R0.300 C#CC(C)(C)SC(C)CC(C)C 62a_100000038118_100000731052 [0,2,0,0,0,0|2,0,0]=4 2206 B11R0.300 C#CC(C)(C)SC(C)CC(C)C 62a_100000731052_100000038118 [0,2,0,0,0,0|2,0,0]=4 2207 B11R0.300 C=CC(C)(C)OC(C)CC(C)C 34a_100011215311_100000731052 [0,2,0,0,0,0|2,0,0]=4 2208 B11R0.300 C=CC(C)(C)OC(C)CC(C)C 7a_100011215311_100000731052 [0,2,0,0,0,0|2,0,0]=4 2209 B11R0.300 CC(C)CC(C)NC(C)(C)CO 2230a_100000210608_100000731052 [0,2,0,0,0,0|2,0,0]=4 2210 B11R0.300 CC(C)CC(C)OC(C)(C)C#N 34a_100000211805_100011162410 [0,2,0,0,0,0|2,0,0]=4 2211 B11R0.300 CC(C)CC(C)OC(C)(C)C#N 34a_200015195151_100000731052 [0,2,0,0,0,0|2,0,0]=4 2212 B11R0.300 CC(C)CC(C)OC(C)(C)C#N 7a_100000211805_100011162410 [0,2,0,0,0,0|2,0,0]=4 2213 B11R0.300 CC(C)CC(C)OC(C)(C)CCl 7a_100000764493_100000731052 [0,2,0,0,0,0|2,0,0]=4 2214 B11R0.300 CC(C)CC(C)SC(C)(C)C#N 62a_100000731052_100011162410 [0,2,0,0,0,0|2,0,0]=4 2215 B11R0.300 CC(C)CC(C)SC(C)(C)C#N 62a_100011162410_100000731052 [0,2,0,0,0,0|2,0,0]=4 2216 B11R0.300 CC(C)CN(C)CC(C)(C)CO 2230a_100000732702_100000210760 [0,2,0,0,0,0|2,0,0]=4 2217 B11R0.300 CC(C)CN(C)CC(C)(C)CO 269982a_100000732702_100000210624 [0,2,0,0,0,0|2,0,0]=4 2218 B11R0.300 CC(C)CN(C)CC(C)(C)CO 270004a_100000732702_100000210432 [0,2,0,0,0,0|2,0,0]=4 2219 B11R0.300 CCC(C)(C)CC(=O)CC(C)C 1458a_200000763500_100000210624 [0,2,0,0,0,0|0,0,2]=4 2220 B11R0.300 CCC(C)(C)NC(C)CC(C)C 2230a_100000211385_100000731052 [0,2,0,0,0,0|2,0,0]=4 2221 B11R0.300 CCC(C)(C)OC(C)CC(C)C 7a_100000210230_100000731052 [0,2,0,0,0,0|2,0,0]=4 2222 B11R0.300 CCC(C)(C)OC(C)CC(C)C 7a_100000211805_100000210677 [0,2,0,0,0,0|2,0,0]=4 2223 B11R0.300 CCC(C)(C)SC(C)CC(C)C 62a_100000032637_100000731052 [0,2,0,0,0,0|2,0,0]=4 2224 B11R0.300 CCC(C)(C)SC(C)CC(C)C 62a_100000731052_100000032637 [0,2,0,0,0,0|2,0,0]=4 2225 B11R0.300 CCC(C)(O)CC(=O)CC(C)C 1458a_200011219800_100000210624 [0,2,0,0,0,0|0,0,2]=4 2226 B11R0.300 COC(C)(C)CC(C)OC(C)C 7a_200011252547_100000210206 [0,2,0,0,0,0|2,0,0]=4 2227 B11R0.300 COC(C)(C)CN(C)CC(C)C 269982a_100000747067_100000701081 [0,2,0,0,0,0|2,0,0]=4 2228 B11R0.300 CSC(C)(C)CN(C)CC(C)C 270004a_100000747067_100009845794 [0,2,0,0,0,0|2,0,0]=4 2229 B11R0.359 CC(C)(O)CN([13CH3])CC(C)(C)O 2230a_100011965587_200025704644 [0,2,0,0,0,0|2,0,0]=4 2230 B11R0.359 CC(C)(O)CN([13CH3])CC(C)(C)O 269982a_100011965587_200025704644 [0,2,0,0,0,0|2,0,0]=4 2231 B11R0.359 CN(CC(C)(C)C)CC(C)(C)C 270004a_100000742839_100011204126 [0,2,0,0,0,0|2,0,0]=4 2232 B11R0.359 CN(CC(C)(C)C)CC(C)(C)O 270004a_100000755907_100011204126 [0,2,0,0,0,0|2,0,0]=4 2233 B11R0.359 CN(CC(C)(C)O)CC(C)(C)O 2230a_100011965587_200000210301 [0,2,0,0,0,0|2,0,0]=4 2234 B11R0.359 CN(CC(C)(C)O)CC(C)(C)O 269982a_100011965587_200000210301 [0,2,0,0,0,0|2,0,0]=4 2235 B11R0.1 C#CCC(C)OC(C)CC(C)C 34a_100000685586_100000731052 [0,2,0,0,0,0|2,0,0]=4 2236 B11R0.1 C#CCC(C)OC(C)CC(C)C 7a_100000685586_100000731052 [0,2,0,0,0,0|2,0,0]=4 2237 B11R0.1 C/C=C/C(C)OC(C)CC(C)C 34a_200102604097_100000731052 [0,2,0,0,0,0|2,0,0]=4 2238 B11R0.1 C=CC[C@@H](C)OC(C)CC(C)C 34a_100000731007_100000731052 [0,2,0,0,0,0|2,0,0]=4 2239 B11R0.1 C=CC[C@@H](C)OC(C)CC(C)C 7a_100000731007_100000731052 [0,2,0,0,0,0|2,0,0]=4 2240 B11R0.1 CC#CC(C)OC(C)CC(C)C 34a_100011216543_100000731052 [0,2,0,0,0,0|2,0,0]=4 2241 B11R0.1 CC(C)CC(C)NC(C)CC#N 2230a_100000692259_100009813641 [0,2,0,0,0,0|2,0,0]=4 2242 B11R0.1 CC(C)CC(C)NC(C)CCO 2230a_100000692259_100009893172 [0,2,0,0,0,0|2,0,0]=4 2243 B11R0.1 CC(C)CC(C)N[C@@H](C)CC#N 2230a_100016994482_100000731052 [0,2,0,0,0,0|2,0,0]=4 2244 B11R0.1 CC(C)CC(C)N[C@H](C)CCO 2230a_100000706166_100000731052 [0,2,0,0,0,0|2,0,0]=4 2245 B11R0.1 CC(C)CC(C)N[C@H](C)CCO 34a_100000706166_100000731052 [0,2,0,0,0,0|2,0,0]=4 2246 B11R0.1 CC(C)CC(C)OC(C)CC#N 7a_100000211805_100009813641 [0,2,0,0,0,0|2,0,0]=4 2247 B11R0.1 CC(C)CC(C)OC(C)CCBr 34a_100012276601_100000731052 [0,2,0,0,0,0|2,0,0]=4 2248 B11R0.1 CC(C)CC(C)OC(C)CCO 34a_100000211805_100009893172 [0,2,0,0,0,0|2,0,0]=4 2249 B11R0.1 CC(C)CC(C)OC(C)CCO 7a_100000211805_100009893172 [0,2,0,0,0,0|2,0,0]=4 2250 B11R0.1 CC(C)CC(C)SC(C)CC#N 62a_100000731052_100009813641 [0,2,0,0,0,0|2,0,0]=4 2251 B11R0.1 CC(C)CC(C)SC(C)CC#N 62a_100009813641_100000731052 [0,2,0,0,0,0|2,0,0]=4 2252 B11R0.1 CC(C)CC(C)SC(C)CCO 62a_100000731052_100009893172 [0,2,0,0,0,0|2,0,0]=4 2253 B11R0.1 CC(C)CC(C)SC(C)CCO 62a_100009893172_100000731052 [0,2,0,0,0,0|2,0,0]=4 2254 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,2,0,0,0,0|0,0,2]=4 2255 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,2,0,0,0,0|0,0,2]=4 2256 B11R0.1 CCCC(C)CN(C)CC(C)C 2230a_100000747067_100011216630 [0,2,0,0,0,0|2,0,0]=4 2257 B11R0.1 CCCC(C)CN(C)CC(C)C 269982a_100000747067_100011216630 [0,2,0,0,0,0|2,0,0]=4 2258 B11R0.1 CCCC(C)CN(C)CC(C)C 270004a_100000747067_100000243154 [0,2,0,0,0,0|2,0,0]=4 2259 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000692259_100000766640 [0,2,0,0,0,0|2,0,0]=4 2260 B11R0.1 CCCC(C)NC(C)CC(C)C 2230a_100000741246_100000731052 [0,2,0,0,0,0|2,0,0]=4 2261 B11R0.1 CCCC(C)NC(C)CC(C)C 270004a_100000692259_100000211909 [0,2,0,0,0,0|2,0,0]=4 2262 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000211805_100000766640 [0,2,0,0,0,0|2,0,0]=4 2263 B11R0.1 CCCC(C)OC(C)CC(C)C 34a_100000764384_100000731052 [0,2,0,0,0,0|2,0,0]=4 2264 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000211805_100000766640 [0,2,0,0,0,0|2,0,0]=4 2265 B11R0.1 CCCC(C)OC(C)CC(C)C 7a_100000764384_100000731052 [0,2,0,0,0,0|2,0,0]=4 2266 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000731052_100000766640 [0,2,0,0,0,0|2,0,0]=4 2267 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000766640_100000731052 [0,2,0,0,0,0|2,0,0]=4 2268 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,2,0,0,0,0|0,0,2]=4 2269 B11R0.1 COCC(C)NC(C)CC(C)C 2230a_100000692259_100000765312 [0,2,0,0,0,0|2,0,0]=4 2270 B11R0.1 COCC(C)NC(C)CC(C)C 270004a_100000692259_100000749346 [0,2,0,0,0,0|2,0,0]=4 2271 B11R0.1 COCC(C)OC(C)CC(C)C 34a_100000211805_100000765312 [0,2,0,0,0,0|2,0,0]=4 2272 B11R0.1 COCC(C)OC(C)CC(C)C 7a_100000211805_100000765312 [0,2,0,0,0,0|2,0,0]=4 2273 B11R0.1 COCC(C)SC(C)CC(C)C 62a_100000731052_100000765312 [0,2,0,0,0,0|2,0,0]=4 2274 B11R0.1 COCC(C)SC(C)CC(C)C 62a_100000765312_100000731052 [0,2,0,0,0,0|2,0,0]=4 2275 B11R0.1 COC[C@@H](C)NC(C)CC(C)C 2230a_100000764878_100000731052 [0,2,0,0,0,0|2,0,0]=4 2276 B11R0.1 COC[C@@H](C)OC(C)CC(C)C 34a_100011934205_100000731052 [0,2,0,0,0,0|2,0,0]=4 2277 B11R0.1 CSCC(C)NC(C)CC(C)C 270004a_100000692259_100011216314 [0,2,0,0,0,0|2,0,0]=4 2278 B11R0.19 CC(C)CC(C)NC(CO)CO 2230a_100000759517_100000731052 [0,2,0,0,0,0|2,0,0]=4 2279 B11R0.19 CC(C)CC(C)OC(CCl)CCl 7a_100000737055_100000731052 [0,2,0,0,0,0|2,0,0]=4 2280 B11R0.19 CC(C)CC(C)OC(CF)CF 34a_100000032261_100000731052 [0,2,0,0,0,0|2,0,0]=4 2281 B11R0.19 CC(C)CC(C)OC(CF)CF 7a_100000032261_100000731052 [0,2,0,0,0,0|2,0,0]=4 2282 B11R0.19 CC(C)CC(C)OC(CN)CN 34a_100000031598_100000731052 [0,2,0,0,0,0|2,0,0]=4 2283 B11R0.19 CC(C)CC(C)O[C@@H](CF)CCl 34a_100015614560_100000731052 [0,2,0,0,0,0|2,0,0]=4 2284 B11R0.19 CC(C)CC(C)O[C@@H](CF)CCl 7a_100015614560_100000731052 [0,2,0,0,0,0|2,0,0]=4 2285 B11R0.19 CCC(CC)CC(=O)CC(C)C 1458a_100000210554_100011215472 [0,2,0,0,0,0|0,0,2]=4 2286 B11R0.19 CCC(CC)CN(C)CC(C)C 2230a_100000747067_100011215472 [0,2,0,0,0,0|2,0,0]=4 2287 B11R0.19 CCC(CC)CN(C)CC(C)C 269982a_100000747067_100011215472 [0,2,0,0,0,0|2,0,0]=4 2288 B11R0.19 CCC(CC)CN(C)CC(C)C 270004a_100000747067_100000211137 [0,2,0,0,0,0|2,0,0]=4 2289 B11R0.19 CCC(CC)NC(C)CC(C)C 2230a_100000199018_100000731052 [0,2,0,0,0,0|2,0,0]=4 2290 B11R0.19 CCC(CC)NC(C)CC(C)C 270004a_100000692259_100000210860 [0,2,0,0,0,0|2,0,0]=4 2291 B11R0.19 CCC(CC)OC(C)CC(C)C 7a_100000211805_100000210505 [0,2,0,0,0,0|2,0,0]=4 2292 B11R0.19 CCC(CC)OC(C)CC(C)C 7a_100000688536_100000731052 [0,2,0,0,0,0|2,0,0]=4 2293 B11R0.19 CCC(CC)SC(C)CC(C)C 62a_100000210505_100000731052 [0,2,0,0,0,0|2,0,0]=4 2294 B11R0.19 CCC(CC)SC(C)CC(C)C 62a_100000731052_100000210505 [0,2,0,0,0,0|2,0,0]=4 2295 B11R0.19 CC[C@@H](CO)NC(C)CC(C)C 2230a_100000709445_100000731052 [0,2,0,0,0,0|2,0,0]=4 2296 B11R0.19 COC(CC(=O)CC(C)C)OC 1458a_100000082724_100000210624 [0,2,0,0,0,0|0,0,2]=4 2297 B11R0.19 COC(CC(=O)CC(C)C)OC 1458a_100000210554_100000751394 [0,2,0,0,0,0|0,0,2]=4 2298 B11R0.19 COC(CC(C)OC(C)C)OC 7a_100011018202_100000210206 [0,2,0,0,0,0|2,0,0]=4 2299 B11R0.19 COC(CN(C)CC(C)C)OC 2230a_100000747067_100000751394 [0,2,0,0,0,0|2,0,0]=4 2300 B11R0.19 COC(CN(C)CC(C)C)OC 269982a_100000225562_100000210624 [0,2,0,0,0,0|2,0,0]=4 2301 B11R0.19 COC(CN(C)CC(C)C)OC 270004a_100000225562_100000210432 [0,2,0,0,0,0|2,0,0]=4 2302 B11R0.19 COC(CN(C)CC(C)C)OC 270004a_100000747067_100000752162 [0,2,0,0,0,0|2,0,0]=4 2303 B11R0.91 C#CC(C)N[C@H](CO)CC(C)C 34a_100011830311_200000035995 [0,2,0,0,0,0|1,0,1]=4 2304 B11R0.91 C#CC(CC(C)C)OC(C)CC 34a_100011215986_100011215416 [0,2,0,0,0,0|2,0,0]=4 2305 B11R0.91 C#CC(CC(C)C)OC(C)CC 7a_100011215986_100000758301 [0,2,0,0,0,0|2,0,0]=4 2306 B11R0.91 C#CC(CC(C)C)OC(C)CO 34a_100011215986_100012180447 [0,2,0,0,0,0|2,0,0]=4 2307 B11R0.91 C#CC(CC(C)C)OC(C)CO 7a_100011215986_100012180447 [0,2,0,0,0,0|2,0,0]=4 2308 B11R0.91 C=CC(CC(C)C)OC(C)CC 34a_100012186643_100011215416 [0,2,0,0,0,0|2,0,0]=4 2309 B11R0.91 C=CC(CC(C)C)OC(C)CC 7a_100012186643_100000758301 [0,2,0,0,0,0|2,0,0]=4 2310 B11R0.91 C=CC(CC(C)C)OC(C)CO 34a_100012186643_100012180447 [0,2,0,0,0,0|2,0,0]=4 2311 B11R0.91 C=CC(CC(C)C)OC(C)CO 7a_100012186643_100012180447 [0,2,0,0,0,0|2,0,0]=4 2312 B11R0.91 CC(C)CC(C#N)NC(C)CO 2230a_100000741378_100012180447 [0,2,0,0,0,0|2,0,0]=4 2313 B11R0.91 CC(C)CC(C#N)OC(C)CO 34a_200011294978_100012180447 [0,2,0,0,0,0|2,0,0]=4 2314 B11R0.91 CC(C)CC(C#N)OC(C)CO 7a_200011294978_100012180447 [0,2,0,0,0,0|2,0,0]=4 2315 B11R0.91 CC(C)C[C@@H](CO)NC(C)C#N 2230a_100011830311_100000184139 [0,2,0,0,0,0|1,0,1]=4 2316 B11R0.91 CC(C)C[C@@H](CO)NC(C)CO 2230a_100011830311_100012180447 [0,2,0,0,0,0|1,0,0]=3 2317 B11R0.91 CC(C)C[C@@H](CO)NC(C)CO 34a_100011830311_100012180447 [0,2,0,0,0,0|1,0,0]=3 2318 B11R0.91 CCC(C)CC(CC)OC(C)C 7a_200011216566_100000210206 [0,2,0,0,0,0|2,0,0]=4 2319 B11R0.91 CCC(C)CN(CC)CC(C)C 2230a_100000738554_100000748023 [0,2,0,0,0,0|2,0,0]=4 2320 B11R0.91 CCC(C)CN(CC)CC(C)C 269982a_100000738554_100000748023 [0,2,0,0,0,0|2,0,0]=4 2321 B11R0.91 CCC(C)CN(CC)CC(C)C 270004a_100000738554_100000243153 [0,2,0,0,0,0|2,0,0]=4 2322 B11R0.91 CCC(C)NC(C#N)CC(C)C 2230a_100000741378_100000758301 [0,2,0,0,0,0|2,0,0]=4 2323 B11R0.91 CCC(C)N[C@H](CO)CC(C)C 2230a_100011830311_100000758301 [0,2,0,0,0,0|1,0,0]=3 2324 B11R0.91 CCC(C)N[C@H](CO)CC(C)C 34a_100011830311_100011215416 [0,2,0,0,0,0|1,0,0]=3 2325 B11R0.91 CCC(C)OC(C#N)CC(C)C 34a_200011294978_100011215416 [0,2,0,0,0,0|2,0,0]=4 2326 B11R0.91 CCC(C)OC(C#N)CC(C)C 7a_200011294978_100000758301 [0,2,0,0,0,0|2,0,0]=4 2327 B11R0.91 CCN(CC(C)C)C[C@@H](C)CO 2230a_100000738554_100000059175 [0,2,0,0,0,0|2,0,0]=4 2328 B11R0.91 CCN(CC(C)C)C[C@@H](C)CO 269982a_100000738554_100000059175 [0,2,0,0,0,0|2,0,0]=4 2329 B11R0.91 CC[C@H](C)CN(CC)CC(C)C 2230a_100000738554_100009816398 [0,2,0,0,0,0|2,0,0]=4 2330 B11R0.91 CC[C@H](C)CN(CC)CC(C)C 269982a_100000738554_100009816398 [0,2,0,0,0,0|2,0,0]=4 2331 B11R0.110 CCC(C)CC(=O)CC(C)CC 1458a_100000708755_100000748023 [0,2,0,0,0,0|0,0,2]=4 2332 B11R0.110 CCC(C)CC(=O)C[C@@H](C)CC 1458a_100000708755_100009816398 [0,2,0,0,0,0|0,0,2]=4 2333 B11R0.110 CCC(C)CC(=O)C[C@@H](C)CO 1458a_100000708755_100000059175 [0,2,0,0,0,0|0,0,2]=4 2334 B11R0.110 CCC(C)CC(C)NC(C)CC 2230a_100000763565_100000758301 [0,2,0,0,0,0|2,0,0]=4 2335 B11R0.110 CCC(C)CC(C)NC(C)CC 270004a_100000209981_100011710205 [0,2,0,0,0,0|2,0,0]=4 2336 B11R0.110 CCC(C)CC(C)NC(C)CO 2230a_100000763565_100012180447 [0,2,0,0,0,0|2,0,0]=4 2337 B11R0.110 CCC(C)CC(C)N[C@H](C)CF 270004a_100102880703_100011710205 [0,2,0,0,0,0|2,0,0]=4 2338 B11R0.110 CCC(C)CC(C)N[C@H](C)CO 270004a_100000737577_100011710205 [0,2,0,0,0,0|2,0,0]=4 2339 B11R0.110 CCC(C)CN(C)CC(C)CC 2230a_100000753921_100000748023 [0,2,0,0,0,0|2,0,0]=4 2340 B11R0.110 CCC(C)CN(C)CC(C)CC 269982a_100000753921_100000748023 [0,2,0,0,0,0|2,0,0]=4 2341 B11R0.110 CCC(C)CN(C)CC(C)CC 270004a_100000753921_100000243153 [0,2,0,0,0,0|2,0,0]=4 2342 B11R0.110 CCC(C)CN(C)C[C@@H](C)CC 2230a_100000753921_100009816398 [0,2,0,0,0,0|2,0,0]=4 2343 B11R0.110 CCC(C)CN(C)C[C@@H](C)CC 269982a_100000753921_100009816398 [0,2,0,0,0,0|2,0,0]=4 2344 B11R0.110 CCC(C)CN(C)C[C@@H](C)CO 2230a_100000753921_100000059175 [0,2,0,0,0,0|2,0,0]=4 2345 B11R0.110 CCC(C)CN(C)C[C@@H](C)CO 269982a_100000753921_100000059175 [0,2,0,0,0,0|2,0,0]=4 2346 B11R0.255 CC(C)CC(C)(C)NC(C)CO 2230a_100011346068_100012180447 [0,2,0,0,0,0|2,0,0]=4 2347 B11R0.255 CCC(C)NC(C)(C)CC(C)C 2230a_100011346068_100000758301 [0,2,0,0,0,0|2,0,0]=4 2348 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 11a_100000201412_100015343762 [0,2,0,0,0,0|1,0,1]=4 2349 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 1626a_100000201412_100015343762 [0,2,0,0,0,0|1,0,1]=4 2350 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 240690a_100000201412_100015343762 [0,2,0,0,0,0|1,0,1]=4 2351 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 527a_100000201412_100103153847 [0,2,0,0,0,0|1,0,1]=4 2352 B11R0.32 CC(C)CC(OC(C)C)C(C)C 34a_200011219802_100000210206 [0,2,0,0,0,0|2,0,0]=4 2353 B11R0.32 CC(C)CC(OC(C)C)C(C)C 7a_200011219802_100000210206 [0,2,0,0,0,0|2,0,0]=4 2354 B11R0.32 CC(C)CN(CC(C)C)C(C)C 2230a_100000201412_100000210206 [0,2,0,0,0,0|2,0,0]=4 2355 B11R0.32 CC(C)CN(CC(C)C)C(C)C 2230a_100000737641_100000210760 [0,2,0,0,0,0|2,0,0]=4 2356 B11R0.32 CC(C)CN(CC(C)C)C(C)C 269982a_100000201412_100000210206 [0,2,0,0,0,0|2,0,0]=4 2357 B11R0.32 CC(C)CN(CC(C)C)C(C)C 269982a_100000737641_100000210624 [0,2,0,0,0,0|2,0,0]=4 2358 B11R0.32 CC(C)CN(CC(C)C)C(C)C 270004a_100000737641_100000210432 [0,2,0,0,0,0|2,0,0]=4 2359 B11R0.32 CC(C)CN(CC(C)C)C(C)C 34a_100000201412_100000210206 [0,2,0,0,0,0|2,0,0]=4 2360 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 2230a_100016989234_100000210206 [0,2,0,0,0,0|1,0,1]=4 2361 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 34a_100016989234_100000210206 [0,2,0,0,0,0|1,0,1]=4 2362 B11R0.35 C#CCN(CC(C)C)CC(C)C 2230a_100000201412_100000038162 [0,2,0,0,0,0|2,0,0]=4 2363 B11R0.35 C#CCN(CC(C)C)CC(C)C 34a_100000201412_100000184674 [0,2,0,0,0,0|2,0,0]=4 2364 B11R0.35 C=CCN(CC(C)C)CC(C)C 2230a_100000201412_100000210623 [0,2,0,0,0,0|2,0,0]=4 2365 B11R0.35 C=CCN(CC(C)C)CC(C)C 269982a_100000201412_100000210623 [0,2,0,0,0,0|2,0,0]=4 2366 B11R0.35 C=CCN(CC(C)C)CC(C)C 34a_100000201412_100015514636 [0,2,0,0,0,0|2,0,0]=4 2367 B11R0.35 CC(C)CC(CC(C)C)OCF 34a_100011219621_100015361967 [0,2,0,0,0,0|0,0,0]=2 2368 B11R0.35 CC(C)CC(CC(C)C)OCF 7a_100011219621_100015361967 [0,2,0,0,0,0|0,0,0]=2 2369 B11R0.35 CC(C)CN(CC#N)CC(C)C 2230a_100000201412_100011215382 [0,2,0,0,0,0|2,0,0]=4 2370 B11R0.35 CC(C)CN(CC#N)CC(C)C 269982a_100000201412_100011214920 [0,2,0,0,0,0|2,0,0]=4 2371 B11R0.35 CC(C)CN(CC=O)CC(C)C 2230a_100000201412_200015260668 [0,2,0,0,0,0|1,0,1]=4 2372 B11R0.35 CC(C)CN(CC=O)CC(C)C 269982a_100000201412_200015260668 [0,2,0,0,0,0|1,0,1]=4 2373 B11R0.35 CC(C)CN(CC=O)CC(C)C 34a_100000201412_200009817547 [0,2,0,0,0,0|1,0,1]=4 2374 B11R0.35 CC(C)CN(CCF)CC(C)C 2230a_100000201412_100011217306 [0,2,0,0,0,0|2,0,0]=4 2375 B11R0.35 CC(C)CN(CCF)CC(C)C 269982a_100000201412_100011217306 [0,2,0,0,0,0|2,0,0]=4 2376 B11R0.35 CC(C)CN(CCF)CC(C)C 34a_100000201412_100011217306 [0,2,0,0,0,0|2,0,0]=4 2377 B11R0.35 CC(C)CN(CCO)CC(C)C 2230a_100000201412_100000211926 [0,2,0,0,0,0|1,0,0]=3 2378 B11R0.35 CC(C)CN(CCO)CC(C)C 2230a_100015185251_100000210760 [0,2,0,0,0,0|1,0,0]=3 2379 B11R0.35 CC(C)CN(CCO)CC(C)C 269982a_100000201412_100000211926 [0,2,0,0,0,0|1,0,0]=3 2380 B11R0.35 CC(C)CN(CCO)CC(C)C 269982a_100015185251_100000210624 [0,2,0,0,0,0|1,0,0]=3 2381 B11R0.35 CC(C)CN(CCO)CC(C)C 270004a_100015185251_100000210432 [0,2,0,0,0,0|1,0,0]=3 2382 B11R0.35 CC(C)CN(CCO)CC(C)C 34a_100000201412_100000211926 [0,2,0,0,0,0|1,0,0]=3 2383 B11R0.35 CC(C)CN(CCO)CC(C)O 2230a_100000731851_100000210760 [0,2,0,0,0,0|2,0,0]=4 2384 B11R0.35 CC(C)CN(CCO)CC(C)O 2230a_100015185251_100011218427 [0,2,0,0,0,0|2,0,0]=4 2385 B11R0.35 CC(C)CN(CCO)CC(C)O 269982a_100000731851_100000210624 [0,2,0,0,0,0|2,0,0]=4 2386 B11R0.35 CC(C)CN(CCO)CC(C)O 269982a_100015185251_100011218427 [0,2,0,0,0,0|2,0,0]=4 2387 B11R0.35 CC(C)CN(CCO)C[C@@H](C)O 2230a_100015185251_100009817552 [0,2,0,0,0,0|2,0,0]=4 2388 B11R0.35 CC(C)CN(CCO)C[C@@H](C)O 269982a_100015185251_100009817552 [0,2,0,0,0,0|2,0,0]=4 2389 B11R0.35 CC(C)C[C@@H](CCO)NC(C)C 2230a_100161151251_100000210206 [0,2,0,0,0,0|1,0,0]=3 2390 B11R0.35 CC=CC(CC(C)C)OC(C)C 34a_100020643927_100000210206 [0,2,0,0,0,0|2,0,0]=4 2391 B11R0.35 CC=CC(CC(C)C)OC(C)C 7a_100020643927_100000210206 [0,2,0,0,0,0|2,0,0]=4 2392 B11R0.35 CCCC(CC(C)C)OC(C)C 34a_100011351045_100000210206 [0,2,0,0,0,0|2,0,0]=4 2393 B11R0.35 CCCC(CC(C)C)OC(C)C 7a_100011351045_100000210206 [0,2,0,0,0,0|2,0,0]=4 2394 B11R0.35 CCCN(CC(C)C)CC(C)C 2230a_100000201412_100000210303 [0,2,0,0,0,0|2,0,0]=4 2395 B11R0.35 CCCN(CC(C)C)CC(C)C 269982a_100000201412_100000210303 [0,2,0,0,0,0|2,0,0]=4 2396 B11R0.35 CCCN(CC(C)C)CC(C)C 34a_100000201412_100000210303 [0,2,0,0,0,0|2,0,0]=4 2397 B11R0.35 CCNC(CC(C)C)CC(C)C 2230a_100000751966_100000210202 [0,2,0,0,0,0|1,0,0]=3 2398 B11R0.35 CCOC(CC(C)C)CC(C)C 34a_100011219621_100000210202 [0,2,0,0,0,0|0,0,0]=2 2399 B11R0.35 CCOC(CC(C)C)CC(C)C 7a_100011219621_100000210202 [0,2,0,0,0,0|0,0,0]=2 2400 B11R0.35 COCN(CC(C)C)CC(C)C 2230a_100000201412_100000766300 [0,2,0,0,0,0|1,0,0]=3 2401 B11R0.35 COCN(CC(C)C)CC(C)C 269982a_100000201412_100000766300 [0,2,0,0,0,0|1,0,0]=3 2402 B11R0.35 CSCN(CC(C)C)CC(C)C 2230a_100000201412_100011218213 [0,2,0,0,0,0|1,1,0]=4 2403 B11R0.35 CSCN(CC(C)C)CC(C)C 269982a_100000201412_100011218213 [0,2,0,0,0,0|1,1,0]=4 2404 B11R0.35 CSCN(CC(C)C)CC(C)C 34a_100000201412_100011218213 [0,2,0,0,0,0|1,1,0]=4 2405 B11R0.210 C#CC(C)(CC(C)C)OC(C)C 34a_100011215516_100000210206 [0,2,0,0,0,0|2,0,0]=4 2406 B11R0.210 C#CC(C)(CC(C)C)OC(C)C 7a_100011215516_100000210206 [0,2,0,0,0,0|2,0,0]=4 2407 B11R0.210 CC(C)CC(C)(CC(C)C)O[13CH3] 7a_200011217148_200025704644 [0,2,0,0,0,0|0,0,0]=2 2408 B11R0.210 CCC(C)(CC(C)C)OC(C)C 7a_200011215086_100000210206 [0,2,0,0,0,0|2,0,0]=4 2409 B11R0.210 COC(C)(CC(C)C)CC(C)C 7a_200011217148_200000210301 [0,2,0,0,0,0|0,0,0]=2 2410 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 2411 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 2412 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [1,0,0,1,0,0|2,0,0]=4 2413 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [1,0,0,1,0,0|2,0,0]=4 2414 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [1,0,0,1,0,0|2,0,0]=4 2415 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|1,0,1]=4 2416 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [1,0,0,1,0,0|2,0,0]=4 2417 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [1,0,0,1,0,0|2,0,0]=4 2418 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [1,0,0,1,0,0|2,0,0]=4 2419 B9R1.13 CC(C)NC1CCCC1 2230a_100000211070_100000210206 [1,0,0,1,0,0|2,0,0]=4 2420 B9R1.13 CC(C)NC1CCCC1 2230a_100138425928_100000179811 [1,0,0,1,0,0|2,0,0]=4 2421 B9R1.13 CC(C)NC1CCCC1 34a_100000211070_100000210206 [1,0,0,1,0,0|2,0,0]=4 2422 B9R1.13 CC(C)NC1CCCC1 34a_100138425928_100000179811 [1,0,0,1,0,0|2,0,0]=4 2423 B9R1.13 CC(C)OC1CCCC1 34a_100000210269_100000210206 [1,0,0,1,0,0|2,0,0]=4 2424 B9R1.13 CC(C)OC1CCCC1 34a_100000212225_100000179811 [1,0,0,1,0,0|2,0,0]=4 2425 B9R1.13 CC(C)OC1CCCC1 7a_100000210269_100000210206 [1,0,0,1,0,0|2,0,0]=4 2426 B9R1.13 CC(C)OC1CCCO1 34a_100000085407_100000210206 [1,0,0,1,0,0|1,0,0]=3 2427 B9R1.13 CC(C)SC1CCCC1 62a_100000210206_100000179811 [1,0,0,1,0,0|2,0,0]=4 2428 B9R1.13 CC(C)SC1CCCC1 62a_100011217020_100000210206 [1,0,0,1,0,0|2,0,0]=4 2429 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [1,0,0,1,0,0|2,0,0]=4 2430 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [1,0,0,1,0,0|2,0,0]=4 2431 B9R1.13 CN(C)CC1CCCO1 2230a_100102631434_100000203698 [1,0,0,1,0,0|1,0,0]=3 2432 B9R1.13 CN(C)CC1CCCO1 2230a_100102946541_200000210301 [1,0,0,1,0,0|1,0,0]=3 2433 B9R1.13 CN(C)CC1CCCO1 269982a_100102631434_100000183445 [1,0,0,1,0,0|1,0,0]=3 2434 B9R1.13 CN(C)CC1CCCO1 269982a_100102946541_200000210301 [1,0,0,1,0,0|1,0,0]=3 2435 B9R1.13 CN(C)CC1CCCO1 34a_100102946541_200000210301 [1,0,0,1,0,0|1,0,0]=3 2436 B9R1.13 CN(C)CC1OCCO1 2230a_100102631434_100000755774 [1,0,0,1,0,0|2,0,0]=4 2437 B9R1.13 CN(C)CC1OCCO1 2230a_200000032744_200000210301 [1,0,0,1,0,0|2,0,0]=4 2438 B9R1.13 CN(C)CC1OCCO1 269982a_100102631434_100000755774 [1,0,0,1,0,0|2,0,0]=4 2439 B9R1.13 CN(C)CC1OCCO1 269982a_200000032744_200000210301 [1,0,0,1,0,0|2,0,0]=4 2440 B9R1.13 CN(C)CC1OCCO1 34a_200000032744_200000210301 [1,0,0,1,0,0|2,0,0]=4 2441 B9R1.13 CN([13CH3])CC1CCCO1 2230a_100102946541_200025704644 [1,0,0,1,0,0|1,0,0]=3 2442 B9R1.13 CN([13CH3])CC1CCCO1 269982a_100102946541_200025704644 [1,0,0,1,0,0|1,0,0]=3 2443 B9R1.13 CN([13CH3])CC1CCCO1 34a_100102946541_200025704644 [1,0,0,1,0,0|1,0,0]=3 2444 B9R1.13 CN([13CH3])CC1OCCO1 2230a_200000032744_200025704644 [1,0,0,1,0,0|2,0,0]=4 2445 B9R1.13 CN([13CH3])CC1OCCO1 269982a_200000032744_200025704644 [1,0,0,1,0,0|2,0,0]=4 2446 B9R1.13 CN([13CH3])CC1OCCO1 34a_200000032744_200025704644 [1,0,0,1,0,0|2,0,0]=4 2447 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [1,0,0,1,0,0|2,0,0]=4 2448 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [1,0,0,1,0,0|2,0,0]=4 2449 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [1,0,0,1,0,0|2,0,0]=4 2450 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [1,0,0,1,0,0|2,0,0]=4 2451 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [1,0,0,1,0,0|2,0,0]=4 2452 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [1,0,0,1,0,0|2,0,0]=4 2453 B9R1.41 CC(C)C1CCCN1C 2230a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 2454 B9R1.41 CC(C)C1CCCN1C 269982a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 2455 B9R1.41 CC(C)C1CCCN1C 34a_100000762757_200000210301 [1,0,0,1,0,0|2,0,0]=4 2456 B9R1.41 CC(C)C1CCCN1[13CH3] 2230a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 2457 B9R1.41 CC(C)C1CCCN1[13CH3] 269982a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 2458 B9R1.41 CC(C)C1CCCN1[13CH3] 34a_100000762757_200025704644 [1,0,0,1,0,0|2,0,0]=4 2459 B9R1.41 CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000210206 [1,0,0,1,0,0|2,0,0]=4 2460 B9R1.41 CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000210206 [1,0,0,1,0,0|2,0,0]=4 2461 B9R1.41 CC(C)N1CCC[C@H]1C 2230a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 2462 B9R1.41 CC(C)N1CCC[C@H]1C 269982a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 2463 B9R1.41 CC(C)N1CCC[C@H]1C 34a_100015189458_100000210206 [1,0,0,1,0,0|2,0,0]=4 2464 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O 269982a_100102631434_200016002552 [1,0,0,1,0,0|1,0,0]=3 2465 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [1,0,0,1,0,0|1,0,0]=3 2466 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [1,0,0,1,0,0|1,0,0]=3 2467 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [1,0,0,1,0,0|2,0,0]=4 2468 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [1,0,0,1,0,0|2,0,0]=4 2469 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [1,0,0,1,0,0|1,0,0]=3 2470 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [1,0,0,1,0,0|1,0,0]=3 2471 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [1,0,0,1,0,0|2,0,0]=4 2472 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [1,0,0,1,0,0|2,0,0]=4 2473 B9R1.53 CC(C)CC1CN(C1)C 2230a_214813039686_200000210301 [1,0,0,1,0,0|2,0,0]=4 2474 B9R1.53 CC(C)CC1CN(C1)C 269982a_214813039686_200000210301 [1,0,0,1,0,0|2,0,0]=4 2475 B9R1.53 CC(C)CC1CN(C1)C 34a_214813039686_200000210301 [1,0,0,1,0,0|2,0,0]=4 2476 B9R1.53 CC(C)CC1CN(C1)[13CH3] 2230a_214813039686_200025704644 [1,0,0,1,0,0|2,0,0]=4 2477 B9R1.53 CC(C)CC1CN(C1)[13CH3] 269982a_214813039686_200025704644 [1,0,0,1,0,0|2,0,0]=4 2478 B9R1.53 CC(C)CC1CN(C1)[13CH3] 34a_214813039686_200025704644 [1,0,0,1,0,0|2,0,0]=4 2479 B9R1.53 CC(C)CN1CC(C1)C 2230a_100000702820_100000210760 [1,0,0,1,0,0|2,0,0]=4 2480 B9R1.53 CC(C)CN1CC(C1)C 269982a_100000702820_100000210624 [1,0,0,1,0,0|2,0,0]=4 2481 B9R1.53 CC(C)CN1CC(C1)C 270004a_100000702820_100000210432 [1,0,0,1,0,0|2,0,0]=4 2482 B9R1.53 CC(C)CN1CC(C1)C 34a_100000702820_100000210624 [1,0,0,1,0,0|2,0,0]=4 2483 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [1,0,0,1,0,0|2,0,0]=4 2484 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [1,0,0,1,0,0|2,0,0]=4 2485 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [1,0,0,1,0,0|2,0,0]=4 2486 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [1,0,0,1,0,0|2,0,0]=4 2487 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [1,0,0,1,0,0|2,0,0]=4 2488 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [1,0,0,1,0,0|2,0,0]=4 2489 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|0,0,2]=4 2490 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|0,0,2]=4 2491 B9R1.75 CCCC(C)NC1CC1 34a_100000212008_100000766640 [1,0,0,1,0,0|2,0,0]=4 2492 B9R1.75 CCCC(C)OC1CC1 34a_100000764384_100000211595 [1,0,0,1,0,0|2,0,0]=4 2493 B9R1.75 CCCC(C)SC1CC1 62a_100000766640_100000211595 [1,0,0,1,0,0|2,0,0]=4 2494 B9R1.75 CCCN(C)CC1CC1 2230a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 2495 B9R1.75 CCCN(C)CC1CC1 2230a_100000741881_100000210303 [1,0,0,1,0,0|2,0,0]=4 2496 B9R1.75 CCCN(C)CC1CC1 2230a_100000747261_100000742324 [1,0,0,1,0,0|2,0,0]=4 2497 B9R1.75 CCCN(C)CC1CC1 269982a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 2498 B9R1.75 CCCN(C)CC1CC1 269982a_100000741881_100000210303 [1,0,0,1,0,0|2,0,0]=4 2499 B9R1.75 CCCN(C)CC1CC1 269982a_100000747261_100000756562 [1,0,0,1,0,0|2,0,0]=4 2500 B9R1.75 CCCN(C)CC1CC1 34a_100000210729_200000210301 [1,0,0,1,0,0|2,0,0]=4 2501 B9R1.75 CCCN([13CH3])CC1CC1 2230a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 2502 B9R1.75 CCCN([13CH3])CC1CC1 269982a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 2503 B9R1.75 CCCN([13CH3])CC1CC1 34a_100000210729_200025704644 [1,0,0,1,0,0|2,0,0]=4 2504 B9R1.75 CCNC(C)CC1CC1 270004a_100015525214_200000686933 [1,0,0,1,0,0|2,0,0]=4 2505 B9R1.136 CCCN1CC(C1)(C)C 2230a_100000753659_100000210303 [1,0,0,1,0,0|2,0,0]=4 2506 B9R1.136 CCCN1CC(C1)(C)C 269982a_100000753659_100000210303 [1,0,0,1,0,0|2,0,0]=4 2507 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [1,0,0,1,0,0|0,0,2]=4 2508 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000226674_100000210760 [1,0,0,1,0,0|2,0,0]=4 2509 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000737031_200000210301 [1,0,0,1,0,0|2,0,0]=4 2510 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000226674_100000210624 [1,0,0,1,0,0|2,0,0]=4 2511 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000737031_200000210301 [1,0,0,1,0,0|2,0,0]=4 2512 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000747067_100000211595 [1,0,0,1,0,0|2,0,0]=4 2513 B9R1.137 CC(C)CN(C)C1CC1 270004a_100000226674_100000210432 [1,0,0,1,0,0|2,0,0]=4 2514 B9R1.137 CC(C)CN(C)C1CC1 34a_100000737031_200000210301 [1,0,0,1,0,0|2,0,0]=4 2515 B9R1.137 CC(C)CN([13CH3])C1CC1 2230a_100000737031_200025704644 [1,0,0,1,0,0|2,0,0]=4 2516 B9R1.137 CC(C)CN([13CH3])C1CC1 269982a_100000737031_200025704644 [1,0,0,1,0,0|2,0,0]=4 2517 B9R1.137 CC(C)CN([13CH3])C1CC1 34a_100000737031_200025704644 [1,0,0,1,0,0|2,0,0]=4 2518 B9R1.137 CC(C)NC(C)C1CC1 2230a_100000700016_100000210206 [1,0,0,1,0,0|2,0,0]=4 2519 B9R1.137 CC(C)NC(C)C1CC1 34a_100000700016_100000210206 [1,0,0,1,0,0|2,0,0]=4 2520 B9R1.137 CC(C)OC(C)C1CC1 34a_100000744524_100000210206 [1,0,0,1,0,0|2,0,0]=4 2521 B9R1.137 CC(C)OC(C)C1CC1 7a_100000744524_100000210206 [1,0,0,1,0,0|2,0,0]=4 2522 B9R1.171 CC(C)NC1(CCC1)C 2230a_100000692455_100000210206 [1,0,0,1,0,0|2,0,0]=4 2523 B9R1.171 CC(C)NC1(CCC1)C 34a_100000692455_100000210206 [1,0,0,1,0,0|2,0,0]=4 2524 B9R1.171 CC(C)OC1(CCC1)C 34a_100000759064_100000210206 [1,0,0,1,0,0|2,0,0]=4 2525 B9R1.171 CC(C)OC1(CCC1)C 7a_100000759064_100000210206 [1,0,0,1,0,0|2,0,0]=4 2526 B9R1.171 CN(C)CC1(CCC1)C 2230a_100102631434_100000726658 [1,0,0,1,0,0|2,0,0]=4 2527 B9R1.171 CN(C)CC1(CCC1)C 269982a_100102631434_100000726658 [1,0,0,1,0,0|2,0,0]=4 2528 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|0,0,2]=4 2529 B9R1.35 CC(C)N1CCC(C1)O 2230a_100011215560_100000210206 [1,0,0,1,0,0|2,0,0]=4 2530 B9R1.35 CC(C)N1CCC(C1)O 269982a_100011215560_100000210206 [1,0,0,1,0,0|2,0,0]=4 2531 B9R1.35 CC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000210206 [1,0,0,1,0,0|2,0,0]=4 2532 B9R1.35 CC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000210206 [1,0,0,1,0,0|2,0,0]=4 2533 B9R1.35 CC(C)N1CC[C@@H](C1)F 34a_100015203821_100000210206 [1,0,0,1,0,0|2,0,0]=4 2534 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [1,0,0,1,0,0|1,0,0]=3 2535 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [1,0,0,1,0,0|1,0,0]=3 2536 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [1,0,0,1,0,0|1,0,0]=3 2537 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [1,0,0,1,0,0|1,0,0]=3 2538 B9R1.35 CN(C)C1CCC(C1)O 270004a_100102631434_100012614533 [1,0,0,1,0,0|2,0,0]=4 2539 B9R1.35 CN(C)[C@H]1CCN(C1)[13CH3] 2230a_100016988096_200025704644 [1,0,0,1,0,0|2,0,0]=4 2540 B9R1.35 CN(C)[C@H]1CCN(C1)[13CH3] 269982a_100016988096_200025704644 [1,0,0,1,0,0|2,0,0]=4 2541 B9R1.35 CN1CCC(C1)N(C)C 2230a_103436538152_200000210301 [1,0,0,1,0,0|2,0,0]=4 2542 B9R1.35 CN1CCC(C1)N(C)C 269982a_100102631434_200012183744 [1,0,0,1,0,0|2,0,0]=4 2543 B9R1.35 CN1CCC(C1)N(C)C 269982a_103436538152_200000210301 [1,0,0,1,0,0|2,0,0]=4 2544 B9R1.35 CN1CCC(C1)N(C)[13CH3] 2230a_103436538152_200025704644 [1,0,0,1,0,0|2,0,0]=4 2545 B9R1.35 CN1CCC(C1)N(C)[13CH3] 269982a_103436538152_200025704644 [1,0,0,1,0,0|2,0,0]=4 2546 B9R1.35 CN1CC[C@@H](C1)N(C)C 2230a_100016988096_200000210301 [1,0,0,1,0,0|2,0,0]=4 2547 B9R1.35 CN1CC[C@@H](C1)N(C)C 269982a_100016988096_200000210301 [1,0,0,1,0,0|2,0,0]=4 2548 B9R1.46 CC(C)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210760 [1,0,0,1,0,0|2,0,0]=4 2549 B9R1.46 CC(C)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000210760 [1,0,0,1,0,0|2,0,0]=4 2550 B9R1.46 CC(C)CN[C@@H]1C[C@H]1F 34a_100025746932_100000210624 [1,0,0,1,0,0|2,0,0]=4 2551 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [1,0,0,1,0,0|1,0,0]=3 2552 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [1,0,0,1,0,0|1,0,0]=3 2553 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [1,0,0,1,0,0|1,0,0]=3 2554 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [1,0,0,1,0,0|1,0,0]=3 2555 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [1,0,0,1,0,0|1,0,0]=3 2556 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [1,0,0,1,0,0|1,0,0]=3 2557 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [1,0,0,1,0,0|1,0,0]=3 2558 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [1,0,0,1,0,0|1,0,0]=3 2559 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [1,0,0,1,0,0|2,0,0]=4 2560 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [1,0,0,1,0,0|2,0,0]=4 2561 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [1,0,0,1,0,0|2,0,0]=4 2562 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [1,0,0,1,0,0|2,0,0]=4 2563 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [1,0,0,1,0,0|2,0,0]=4 2564 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [1,0,0,1,0,0|2,0,0]=4 2565 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [1,0,0,1,0,0|2,0,0]=4 2566 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [1,0,0,1,0,0|2,0,0]=4 2567 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [1,0,0,1,0,0|2,0,0]=4 2568 B9R1.85 CC(Br)COCC1CC1 34a_100012180447_100000742324 [1,0,0,1,0,0|2,0,0]=4 2569 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [1,0,0,1,0,0|1,0,0]=3 2570 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [1,0,0,1,0,0|1,0,0]=3 2571 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [1,0,0,1,0,0|1,0,0]=3 2572 B9R1.85 CC(C)CNCC1CC1 2230a_100000210953_100000742324 [1,0,0,1,0,0|1,0,0]=3 2573 B9R1.85 CC(C)CNCC1CC1 2230a_100000735609_100000210760 [1,0,0,1,0,0|1,0,0]=3 2574 B9R1.85 CC(C)CNCC1CC1 269862a_100000210953_100000741477 [1,0,0,1,0,0|1,0,0]=3 2575 B9R1.85 CC(C)CNCC1CC1 270004a_100000735609_100000210432 [1,0,0,1,0,0|1,0,0]=3 2576 B9R1.85 CC(C)CNCC1CC1 34a_100000210953_100000742324 [1,0,0,1,0,0|1,0,0]=3 2577 B9R1.85 CC(C)CNCC1CC1 34a_100000735609_100000210624 [1,0,0,1,0,0|1,0,0]=3 2578 B9R1.85 CC(C)CNCC1CO1 2230a_100000210953_100011216344 [1,0,0,1,0,0|2,0,0]=4 2579 B9R1.85 CC(C)CNCC1CO1 34a_100000210953_102125554688 [1,0,0,1,0,0|2,0,0]=4 2580 B9R1.85 CC(C)COCC1CC1 34a_100000210257_100000742324 [1,0,0,1,0,0|1,0,0]=3 2581 B9R1.85 CC(C)COCC1CC1 34a_100000211283_100000210624 [1,0,0,1,0,0|1,0,0]=3 2582 B9R1.85 CC(C)COCC1CO1 34a_100000210257_102125554688 [1,0,0,1,0,0|2,0,0]=4 2583 B9R1.85 CC(C)COC[C@@H]1CO1 34a_100000757423_100000210624 [1,0,0,1,0,0|2,0,0]=4 2584 B9R1.85 CC(C)CSCC1CC1 62a_100000210624_100000742324 [1,0,0,1,0,0|1,0,0]=3 2585 B9R1.85 CC(C)CSCC1CC1 62a_100000756562_100000210760 [1,0,0,1,0,0|1,0,0]=3 2586 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [1,0,0,1,0,0|2,0,0]=4 2587 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [1,0,0,1,0,0|2,0,0]=4 2588 B9R1.85 CC(C)CSCC1CS1 62a_100000031435_100000210760 [1,0,0,1,0,0|2,0,0]=4 2589 B9R1.85 CC(C)CSCC1CS1 62a_100000210624_100000031435 [1,0,0,1,0,0|2,0,0]=4 2590 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [1,0,0,1,0,0|2,0,0]=4 2591 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [1,0,0,1,0,0|2,0,0]=4 2592 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [1,0,0,1,0,0|1,0,0]=3 2593 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [1,0,0,1,0,0|1,0,0]=3 2594 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [1,0,0,1,0,0|1,0,0]=3 2595 B9R1.85 CC(C)NCCC1CO1 2230a_100138425928_100000732470 [1,0,0,1,0,0|2,0,0]=4 2596 B9R1.85 CC(C)NCCC1CO1 34a_100138425928_100000732470 [1,0,0,1,0,0|2,0,0]=4 2597 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [1,0,0,1,0,0|1,0,0]=3 2598 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [1,0,0,1,0,0|1,0,0]=3 2599 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [1,0,0,1,0,0|1,0,0]=3 2600 B9R1.85 CC(C)OCCC1CO1 34a_100000212225_100000732470 [1,0,0,1,0,0|2,0,0]=4 2601 B9R1.85 CC(C)OCC[C@@H]1CO1 34a_100009820653_100000210206 [1,0,0,1,0,0|2,0,0]=4 2602 B9R1.85 CC(C)OCNC1CC1 34a_100000212008_100000709892 [1,0,0,1,0,0|2,0,0]=4 2603 B9R1.85 CC(C)OCSC1CC1 62a_100000709892_100000211595 [1,0,0,1,0,0|2,0,0]=4 2604 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [1,0,0,1,0,0|1,0,0]=3 2605 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [1,0,0,1,0,0|1,0,0]=3 2606 B9R1.85 CC(C)SCCC1CO1 62a_100000210206_100000732470 [1,0,0,1,0,0|2,0,0]=4 2607 B9R1.85 CC(C)SCCC1CO1 62a_100000732470_100000210206 [1,0,0,1,0,0|2,0,0]=4 2608 B9R1.85 CC(F)COCC1CC1 34a_100015925927_100000742324 [1,0,0,1,0,0|2,0,0]=4 2609 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [1,0,0,1,0,0|2,0,0]=4 2610 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [1,0,0,1,0,0|2,0,0]=4 2611 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [1,0,0,1,0,0|2,0,0]=4 2612 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [1,0,0,1,0,0|2,0,0]=4 2613 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [1,0,0,1,0,0|2,0,0]=4 2614 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [1,0,0,1,0,0|2,0,0]=4 2615 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [1,0,0,1,0,0|2,0,0]=4 2616 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [1,0,0,1,0,0|2,0,0]=4 2617 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [1,0,0,1,0,0|2,0,0]=4 2618 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [1,0,0,1,0,0|2,0,0]=4 2619 B9R1.85 CN(C)CCCC1CO1 2230a_100102631434_100000733510 [1,0,0,1,0,0|2,0,0]=4 2620 B9R1.85 CN(C)CCCC1CO1 269982a_100102631434_100000733510 [1,0,0,1,0,0|2,0,0]=4 2621 B9R1.85 C[C@@H](Cl)COCC1CC1 34a_100016084084_100000742324 [1,0,0,1,0,0|2,0,0]=4 2622 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [1,0,0,1,0,0|2,0,0]=4 2623 B9R1.85 C[C@@H](N)COCC1CC1 34a_100000737577_100000742324 [1,0,0,1,0,0|2,0,0]=4 2624 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [1,0,0,1,0,0|2,0,0]=4 2625 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [1,0,0,1,0,0|2,0,0]=4 2626 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [1,0,0,1,0,0|2,0,0]=4 2627 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [1,0,0,1,0,0|2,0,0]=4 2628 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [1,0,0,1,0,0|2,0,0]=4 2629 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,0,0,1,1,0|0,0,2]=4 2630 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,0,0,1,1,0|2,0,0]=4 2631 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,0,0,1,1,0|2,0,0]=4 2632 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,0,0,1,1,0|1,0,0]=3 2633 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,0,0,1,1,0|1,0,0]=3 2634 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,0,0,1,1,0|1,0,0]=3 2635 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,0,0,1,1,0|1,0,0]=3 2636 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,0,0,1,1,0|2,0,0]=4 2637 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,0,0,1,1,0|2,0,0]=4 2638 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,0,0,1,1,0|2,0,0]=4 2639 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,0,0,1,1,0|2,0,0]=4 2640 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,0,0,1,1,0|0,0,2]=4 2641 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,0,0,1,1,0|0,0,2]=4 2642 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000738798_200000210301 [0,0,0,1,1,0|2,0,0]=4 2643 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000741881_100000210206 [0,0,0,1,1,0|2,0,0]=4 2644 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000738798_200000210301 [0,0,0,1,1,0|2,0,0]=4 2645 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000741881_100000210206 [0,0,0,1,1,0|2,0,0]=4 2646 B9R1.112 CC(C)N(C)CC1CC1 269982a_200000211004_100000756562 [0,0,0,1,1,0|2,0,0]=4 2647 B9R1.112 CC(C)N(C)CC1CC1 34a_100000738798_200000210301 [0,0,0,1,1,0|2,0,0]=4 2648 B9R1.112 CC(C)N([13CH3])CC1CC1 2230a_100000738798_200025704644 [0,0,0,1,1,0|2,0,0]=4 2649 B9R1.112 CC(C)N([13CH3])CC1CC1 269982a_100000738798_200025704644 [0,0,0,1,1,0|2,0,0]=4 2650 B9R1.112 CC(C)N([13CH3])CC1CC1 34a_100000738798_200025704644 [0,0,0,1,1,0|2,0,0]=4 2651 B9R1.112 CC(CC1CC1)N(C)C 270004a_100102631434_200000686933 [0,0,0,1,1,0|2,0,0]=4 2652 B9R1.164 CC(C)N1CC(C1)(C)C 2230a_100000753659_100000210206 [0,0,0,1,1,0|2,0,0]=4 2653 B9R1.164 CC(C)N1CC(C1)(C)C 269982a_100000753659_100000210206 [0,0,0,1,1,0|2,0,0]=4 2654 B11R1.20 CC(C)CN1CCC(CC1)C 2230a_100000188429_100000210760 [0,0,0,1,0,1|2,0,0]=4 2655 B11R1.20 CC(C)CN1CCC(CC1)C 269982a_100000188429_100000210624 [0,0,0,1,0,1|2,0,0]=4 2656 B11R1.20 CC(C)CN1CCC(CC1)C 270004a_100000188429_100000210432 [0,0,0,1,0,1|2,0,0]=4 2657 B11R1.20 CC(C)CN1CCC(CC1)C 34a_100000188429_100000210624 [0,0,0,1,0,1|2,0,0]=4 2658 B11R1.20 CC(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210206 [0,0,0,1,0,1|2,0,0]=4 2659 B11R1.20 CC(C)N[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210206 [0,0,0,1,0,1|2,0,0]=4 2660 B11R1.20 CC1CCC(CC1)NC(C)C 34a_100138425928_200011216234 [0,0,0,1,0,1|2,0,0]=4 2661 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000210714_100000210206 [0,0,0,1,0,1|2,0,0]=4 2662 B11R1.20 CC1CCC(CC1)OC(C)C 34a_100000212225_200011216234 [0,0,0,1,0,1|2,0,0]=4 2663 B11R1.20 CC1CCC(CC1)OC(C)C 7a_100000210714_100000210206 [0,0,0,1,0,1|2,0,0]=4 2664 B11R1.20 CC1CCC(CC1)SC(C)C 62a_100000210206_200011216234 [0,0,0,1,0,1|2,0,0]=4 2665 B11R1.74 CC1CC(CC(C1)N(C)C)C 270004a_100102631434_100000753413 [0,0,0,1,0,1|2,0,0]=4 2666 B11R1.74 CC1CC(CN(C1)C(C)C)C 2230a_100000210448_100000210206 [0,0,0,1,0,1|1,0,0]=3 2667 B11R1.74 CC1CC(CN(C1)C(C)C)C 269982a_100000210448_100000210206 [0,0,0,1,0,1|1,0,0]=3 2668 B11R1.74 CC1CC(CN(C1)C(C)C)C 34a_100000210448_100000210206 [0,0,0,1,0,1|1,0,0]=3 2669 B11R1.74 CC1CN(CC(O1)C)C(C)C 2230a_100000210032_100000210206 [0,0,0,1,0,1|2,0,0]=4 2670 B11R1.74 CC1CN(CC(O1)C)C(C)C 269982a_100000210032_100000210206 [0,0,0,1,0,1|2,0,0]=4 2671 B11R1.74 CC1CN(CC(O1)C)C(C)C 34a_100000210032_100000210206 [0,0,0,1,0,1|2,0,0]=4 2672 B11R1.75 CC(C)CCN1CC[C@H](C1)C 2230a_100016987628_100000210312 [0,0,0,1,0,1|2,0,0]=4 2673 B11R1.75 CC(C)CCN1CC[C@H](C1)C 269982a_100016987628_100000210312 [0,0,0,1,0,1|2,0,0]=4 2674 B11R1.75 CC(C)CCN1CC[C@H](C1)C 34a_100016987628_100000210312 [0,0,0,1,0,1|2,0,0]=4 2675 B11R1.75 CC(C)CNC1CCC(C1)C 270004a_100000210953_100011215218 [0,0,0,1,0,1|1,0,0]=3 2676 B11R1.75 CC(C)CNC1CCC(C1)O 270004a_100000210953_100012614533 [0,0,0,1,0,1|2,0,0]=4 2677 B11R1.75 CC(C)CNC1CCN(C1)C 270004a_100000744687_100000210432 [0,0,0,1,0,1|2,0,0]=4 2678 B11R1.75 CC(C)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210760 [0,0,0,1,0,1|2,0,0]=4 2679 B11R1.75 CC(C)CN[C@H]1CC[C@H](C1)O 270004a_100015195300_100000210432 [0,0,0,1,0,1|2,0,0]=4 2680 B11R1.75 CC(C)COC1CCC(C1)C 34a_100000698185_100000210624 [0,0,0,1,0,1|1,0,0]=3 2681 B11R1.75 CC(C)CSC1CCN(C1)C 62a_100000210624_200012183744 [0,0,0,1,0,1|2,0,0]=4 2682 B11R1.75 CC(C)NCC1CCN(C1)C 34a_100138425928_200000690779 [0,0,0,1,0,1|2,0,0]=4 2683 B11R1.75 CC(C)OCC1CCN(C1)C 34a_100000212225_200000690779 [0,0,0,1,0,1|2,0,0]=4 2684 B11R1.75 CC(C)OCN1CC[C@H](C1)C 2230a_100016987628_100000709892 [0,0,0,1,0,1|2,0,0]=4 2685 B11R1.75 CC(C)OCN1CC[C@H](C1)C 269982a_100016987628_100000709892 [0,0,0,1,0,1|2,0,0]=4 2686 B11R1.75 CC(C)OCN1CC[C@H](C1)C 34a_100016987628_100000709892 [0,0,0,1,0,1|2,0,0]=4 2687 B11R1.75 CC(C)OC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000210206 [0,0,0,1,0,1|2,0,0]=4 2688 B11R1.75 CC(C)SCC1CCN(C1)C 62a_100000210206_200000690779 [0,0,0,1,0,1|2,0,0]=4 2689 B11R1.75 CC(C)SCC1CCN(C1)C 62a_200000690779_100000210206 [0,0,0,1,0,1|2,0,0]=4 2690 B11R1.75 CC(O)CNC1CCC(C1)C 270004a_100000210904_100011215218 [0,0,0,1,0,1|2,0,0]=4 2691 B11R1.75 CC(O)COC1CCC(C1)C 34a_100000698185_100011218427 [0,0,0,1,0,1|2,0,0]=4 2692 B11R1.75 CC1CCC(C1)OC[C@@H](C)O 34a_100000698185_100009817552 [0,0,0,1,0,1|2,0,0]=4 2693 B11R1.103 CC(C)CCC(=O)C1CC1C 1458a_100000211227_100000210312 [0,0,0,1,0,1|0,0,2]=4 2694 B11R1.103 CC(C)CNC(=O)C1CC1C 11a_100000210953_100000211227 [0,0,0,1,0,1|0,0,2]=4 2695 B11R1.103 CC(C)CNC(=O)C1CC1C 1626a_100000210953_100000211227 [0,0,0,1,0,1|0,0,2]=4 2696 B11R1.103 CC(C)CNC(=O)C1CC1C 527a_100000210953_100000211227 [0,0,0,1,0,1|0,0,2]=4 2697 B11R1.106 CC(C)CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000731052 [0,0,0,1,0,1|2,0,0]=4 2698 B11R1.106 CC(C)CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000731052 [0,0,0,1,0,1|2,0,0]=4 2699 B11R1.106 CC(C)CC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000731052 [0,0,0,1,0,1|2,0,0]=4 2700 B11R1.152 CC(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000210624 [0,0,0,1,0,1|0,0,2]=4 2701 B11R1.152 CC(C)CC(=O)N1CC(C1)C 11a_100000702820_100000210554 [0,0,0,1,0,1|0,0,2]=4 2702 B11R1.152 CC(C)CC(=O)N1CC(C1)C 240690a_100000702820_100000210554 [0,0,0,1,0,1|0,0,2]=4 2703 B11R1.152 CC(C)CC(=O)N1CC(C1)C 527a_100000702820_100000210554 [0,0,0,1,0,1|0,0,2]=4 2704 B11R1.152 CC(C)CC(C)N1CC(C1)C 2230a_100000702820_100000731052 [0,0,0,1,0,1|1,0,0]=3 2705 B11R1.152 CC(C)CC(C)N1CC(C1)C 269982a_100000702820_100000731052 [0,0,0,1,0,1|1,0,0]=3 2706 B11R1.152 CC(C)CC(C)N1CC(C1)C 34a_100000702820_100000731052 [0,0,0,1,0,1|1,0,0]=3 2707 B11R1.152 CC(C)CC(C)N1CC(C1)F 2230a_100000690557_100000731052 [0,0,0,1,0,1|2,0,0]=4 2708 B11R1.152 CC(C)CC(C)N1CC(C1)F 269982a_100000690557_100000731052 [0,0,0,1,0,1|2,0,0]=4 2709 B11R1.152 CC(C)CC(C)N1CC(C1)F 34a_100000690557_100000731052 [0,0,0,1,0,1|2,0,0]=4 2710 B11R1.152 CC(C)CC(C)N1CC(C1)O 269982a_100000749847_100000731052 [0,0,0,1,0,1|2,0,0]=4 2711 B11R1.152 CC1CN(C1)C(C)CN(C)C 269982a_100000702820_100020606517 [0,0,0,1,0,1|2,0,0]=4 2712 B11R1.167 CC(C)N1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210206 [0,0,0,1,0,1|2,0,0]=4 2713 B11R1.167 CC(C)N1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000210206 [0,0,0,1,0,1|2,0,0]=4 2714 B11R1.167 CC(C)N1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210206 [0,0,0,1,0,1|2,0,0]=4 2715 B11R1.167 CC1CCC(C(C1)N(C)C)C 270004a_100102631434_100000034887 [0,0,0,1,0,1|2,0,0]=4 2716 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000181311_100000742324 [0,0,0,1,0,1|0,0,2]=4 2717 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000738066_100000210312 [0,0,0,1,0,1|0,0,2]=4 2718 B11R1.348 CC(C)CCC(C)NC1CC1 34a_100000212008_100011261404 [0,0,0,1,0,1|2,0,0]=4 2719 B11R1.348 CC(C)CCC(C)OC1CC1 34a_100011215350_100000211595 [0,0,0,1,0,1|2,0,0]=4 2720 B11R1.348 CC(C)CCC(C)SC1CC1 62a_100011261404_100000211595 [0,0,0,1,0,1|2,0,0]=4 2721 B11R1.348 CC(C)CCN(C)CC1CC1 2230a_100000741881_100000210312 [0,0,0,1,0,1|2,0,0]=4 2722 B11R1.348 CC(C)CCN(C)CC1CC1 2230a_100000742789_100000742324 [0,0,0,1,0,1|2,0,0]=4 2723 B11R1.348 CC(C)CCN(C)CC1CC1 269982a_100000741881_100000210312 [0,0,0,1,0,1|2,0,0]=4 2724 B11R1.348 CC(C)CCN(C)CC1CC1 269982a_100000742789_100000756562 [0,0,0,1,0,1|2,0,0]=4 2725 B11R1.348 CC(C)CNC(=O)CC1CC1 11a_100000210953_100000738066 [0,0,0,1,0,1|0,0,2]=4 2726 B11R1.348 CC(C)CNC(=O)CC1CC1 1626a_100000210953_100000738066 [0,0,0,1,0,1|0,0,2]=4 2727 B11R1.348 CC(C)CNC(=O)CC1CC1 240690a_100000210953_100000738066 [0,0,0,1,0,1|0,0,2]=4 2728 B11R1.348 CC(C)CNC(=O)CC1CC1 527a_100000210953_100000738066 [0,0,0,1,0,1|0,0,2]=4 2729 B11R1.348 CC(C)CNC(C)CC1CC1 270004a_100000210953_200000686933 [0,0,0,1,0,1|1,0,0]=3 2730 B11R1.348 CC(C)OCC(=O)CC1CC1 1458a_100000745533_100000742324 [0,0,0,1,0,1|0,0,2]=4 2731 B11R1.348 CC(C)OCN(C)CC1CC1 2230a_100000741881_100000709892 [0,0,0,1,0,1|2,0,0]=4 2732 B11R1.348 CC(C)OCN(C)CC1CC1 269982a_100000741881_100000709892 [0,0,0,1,0,1|2,0,0]=4 2733 B11R1.348 CC(C)SCC(=O)CC1CC1 1458a_100000241585_100000742324 [0,0,0,1,0,1|0,0,2]=4 2734 B11R1.348 CC(O)CNC(C)CC1CC1 270004a_100000210904_200000686933 [0,0,0,1,0,1|2,0,0]=4 2735 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,0,0,1,0,1|0,0,2]=4 2736 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,0,0,1,0,1|0,0,2]=4 2737 B11R1.485 CC(C)CC(=O)NCC1CC1 11a_100000735609_100000210554 [0,0,0,1,0,1|0,0,2]=4 2738 B11R1.485 CC(C)CC(=O)NCC1CC1 1626a_100000735609_100000210554 [0,0,0,1,0,1|0,0,2]=4 2739 B11R1.485 CC(C)CC(=O)NCC1CC1 240690a_100000735609_100000210554 [0,0,0,1,0,1|0,0,2]=4 2740 B11R1.485 CC(C)CC(=O)NCC1CC1 527a_100000735609_100000210554 [0,0,0,1,0,1|0,0,2]=4 2741 B11R1.485 CC(C)CC(C)NCC1CC1 2230a_100000692259_100000742324 [0,0,0,1,0,1|1,0,0]=3 2742 B11R1.485 CC(C)CC(C)NCC1CC1 2230a_100000735609_100000731052 [0,0,0,1,0,1|1,0,0]=3 2743 B11R1.485 CC(C)CC(C)NCC1CC1 269862a_100000692259_100000741477 [0,0,0,1,0,1|1,0,0]=3 2744 B11R1.485 CC(C)CC(C)NCC1CC1 34a_100000735609_100000731052 [0,0,0,1,0,1|1,0,0]=3 2745 B11R1.485 CC(C)CC(C)NCC1CO1 2230a_100000692259_100011216344 [0,0,0,1,0,1|2,0,0]=4 2746 B11R1.485 CC(C)CC(C)OCC1CC1 34a_100000211283_100000731052 [0,0,0,1,0,1|1,0,0]=3 2747 B11R1.485 CC(C)CC(C)OCC1CC1 34a_100000211805_100000742324 [0,0,0,1,0,1|1,0,0]=3 2748 B11R1.485 CC(C)CC(C)OCC1CC1 7a_100000211805_100000742324 [0,0,0,1,0,1|1,0,0]=3 2749 B11R1.485 CC(C)CC(C)OCC1CO1 34a_100000211805_102125554688 [0,0,0,1,0,1|2,0,0]=4 2750 B11R1.485 CC(C)CC(C)OCC1CO1 7a_100000211805_102125554688 [0,0,0,1,0,1|2,0,0]=4 2751 B11R1.485 CC(C)CC(C)OCC1CS1 7a_100000211805_100000031435 [0,0,0,1,0,1|2,0,0]=4 2752 B11R1.485 CC(C)CC(C)OC[C@@H]1CO1 34a_100000757423_100000731052 [0,0,0,1,0,1|2,0,0]=4 2753 B11R1.485 CC(C)CC(C)OC[C@@H]1CO1 7a_100000211805_100000745022 [0,0,0,1,0,1|2,0,0]=4 2754 B11R1.485 CC(C)CC(C)SCC1CC1 62a_100000731052_100000742324 [0,0,0,1,0,1|1,0,0]=3 2755 B11R1.485 CC(C)CC(C)SCC1CC1 62a_100000756562_100000731052 [0,0,0,1,0,1|1,0,0]=3 2756 B11R1.485 CC(C)CC(C)SCC1CO1 62a_100000731052_102125554688 [0,0,0,1,0,1|2,0,0]=4 2757 B11R1.485 CC(C)CC(C)SCC1CO1 62a_102125554688_100000731052 [0,0,0,1,0,1|2,0,0]=4 2758 B11R1.485 CC(C)CC(C)SCC1CS1 62a_100000031435_100000731052 [0,0,0,1,0,1|2,0,0]=4 2759 B11R1.485 CC(C)CC(C)SCC1CS1 62a_100000731052_100000031435 [0,0,0,1,0,1|2,0,0]=4 2760 B11R1.485 CC(C)CC(C)SC[C@@H]1CO1 62a_100000731052_100000745022 [0,0,0,1,0,1|2,0,0]=4 2761 B11R1.485 CC(C)CC(C)SC[C@@H]1CO1 62a_100000745022_100000731052 [0,0,0,1,0,1|2,0,0]=4 2762 B11R1.485 CC(C)CN(C)CCC1CC1 2230a_100000747067_100000694398 [0,0,0,1,0,1|2,0,0]=4 2763 B11R1.485 CC(C)CN(C)CCC1CC1 269982a_100000747067_100000694398 [0,0,0,1,0,1|2,0,0]=4 2764 B11R1.485 CC(C)C[C@H](N)COC1CC1 34a_100011830311_100000211595 [0,0,0,1,0,1|1,0,0]=3 2765 B11R1.485 CC(CN(C)C)NCC1CC1 269862a_100016992788_100000741477 [0,0,0,1,0,1|2,0,0]=4 2766 B11R1.485 CC(CN(C)C)SCC1CC1 62a_100000756562_100020606517 [0,0,0,1,0,1|2,0,0]=4 2767 B11R1.485 CC(CN(C)C)SCC1CC1 62a_100020606517_100000742324 [0,0,0,1,0,1|2,0,0]=4 2768 B11R1.485 CC(CSC1CC1)CN(C)C 62a_100015348159_100000211595 [0,0,0,1,0,1|2,0,0]=4 2769 B11R1.649 CC1(CC(CCN(C1)[13CH3])O)C 2230a_100000061064_200025704644 [0,0,0,1,0,1|1,0,0]=3 2770 B11R1.649 CC1(CC(CCN(C1)[13CH3])O)C 269982a_100000061064_200025704644 [0,0,0,1,0,1|1,0,0]=3 2771 B11R1.649 CN1CCC(CC(C1)(C)C)O 2230a_100000061064_200000210301 [0,0,0,1,0,1|1,0,0]=3 2772 B11R1.649 CN1CCC(CC(C1)(C)C)O 269982a_100000061064_200000210301 [0,0,0,1,0,1|1,0,0]=3 2773 B11R1.710 CC(=O)CC1COC(O1)(C)C 1458a_100000070787_100000198056 [0,0,0,1,0,1|1,0,1]=4 2774 B11R1.710 CC(=O)C[C@H]1COC(O1)(C)C 1458a_100000070787_100015422573 [0,0,0,1,0,1|1,0,1]=4 2775 B11R1.710 CC(C)CN1CCC(C1)(C)C 2230a_100000764714_100000210760 [0,0,0,1,0,1|2,0,0]=4 2776 B11R1.710 CC(C)CN1CCC(C1)(C)C 269982a_100000764714_100000210624 [0,0,0,1,0,1|2,0,0]=4 2777 B11R1.710 CC(C)CN1CCC(C1)(C)C 270004a_100000764714_100000210432 [0,0,0,1,0,1|2,0,0]=4 2778 B11R1.710 CN(C)CC1COC(O1)(C)C 2230a_100102631434_100009884615 [0,0,0,1,0,1|1,0,0]=3 2779 B11R1.710 CN(C)CC1COC(O1)(C)C 269982a_100102631434_100000198056 [0,0,0,1,0,1|1,0,0]=3 2780 B11R1.710 CN(C)C[C@H]1COC(O1)(C)C 2230a_100102631434_100015422573 [0,0,0,1,0,1|1,0,0]=3 2781 B11R1.710 CN(C)C[C@H]1COC(O1)(C)C 269982a_100102631434_100015422573 [0,0,0,1,0,1|1,0,0]=3 2782 B11R1.710 CN(C)C[C@H]1COC(O1)(C)C 270004a_100102631434_100009815026 [0,0,0,1,0,1|1,0,0]=3 2783 B11R1.714 CC(C)CCN1CC(C1)(C)C 2230a_100000753659_100000210312 [0,0,0,1,0,1|2,0,0]=4 2784 B11R1.714 CC(C)CCN1CC(C1)(C)C 269982a_100000753659_100000210312 [0,0,0,1,0,1|2,0,0]=4 2785 B11R1.714 CC(C)CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210760 [0,0,0,1,0,1|2,0,0]=4 2786 B11R1.714 CC(C)CN[C@H]1C[C@@](C1)(C)O 270004a_100121572536_100000210432 [0,0,0,1,0,1|2,0,0]=4 2787 B11R1.714 CC(C)NC[C@H]1C[C@@](C1)(C)O 2230a_100015257651_100000210206 [0,0,0,1,0,1|2,0,0]=4 2788 B11R1.714 CC(C)OCN1CC(C1)(C)C 2230a_100000753659_100000709892 [0,0,0,1,0,1|2,0,0]=4 2789 B11R1.714 CC(C)OCN1CC(C1)(C)C 269982a_100000753659_100000709892 [0,0,0,1,0,1|2,0,0]=4 2790 B11R1.743 CC(C)CC1CN(C1)C(C)C 2230a_214813039686_100000210206 [0,0,0,1,0,1|1,0,0]=3 2791 B11R1.743 CC(C)CC1CN(C1)C(C)C 269982a_214813039686_100000210206 [0,0,0,1,0,1|1,0,0]=3 2792 B11R1.743 CC(C)CC1CN(C1)C(C)C 34a_214813039686_100000210206 [0,0,0,1,0,1|1,0,0]=3 2793 B11R1.743 CC(C)N1CC(C1)CN(C)C 269982a_100015199603_100000210206 [0,0,0,1,0,1|2,0,0]=4 2794 B11R1.743 CC(C)OC1CN(C1)C(C)C 2230a_100000698322_100000210206 [0,0,0,1,0,1|2,0,0]=4 2795 B11R1.743 CC(C)OC1CN(C1)C(C)C 269982a_100000698322_100000210206 [0,0,0,1,0,1|2,0,0]=4 2796 B11R1.743 CC(C)OC1CN(C1)C(C)C 34a_100000698322_100000210206 [0,0,0,1,0,1|2,0,0]=4 2797 B11R1.1040 CC(C)N1C(CCC1(C)C)C 2230a_100015204717_100000210206 [0,0,0,1,0,1|2,0,0]=4 2798 B11R1.1040 CC(C)N1C(CCC1(C)C)C 269982a_100015204717_100000210206 [0,0,0,1,0,1|2,0,0]=4 2799 B11R1.1040 CC(C)N1C(CCC1(C)C)C 34a_100015204717_100000210206 [0,0,0,1,0,1|2,0,0]=4 2800 B11R1.1263 CC(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210624 [0,0,0,1,0,1|0,0,2]=4 2801 B11R1.141 CC(C)CC(C)N1CCC1C 269982a_100000755817_100000731052 [0,1,0,1,0,0|2,0,0]=4 2802 B11R1.141 CC(C)CC(C)N1CCC1C 34a_100000755817_100000731052 [0,1,0,1,0,0|2,0,0]=4 2803 B11R1.314 CC1CCC(C1)N(C)C(C)C 270004a_200000211004_100011215218 [0,1,0,1,0,0|2,0,0]=4 2804 B11R1.488 CC1CC(CC1N(C)C)(C)C 270004a_100102631434_100000720090 [0,1,0,1,0,0|2,0,0]=4 2805 B11R1.503 CC(C)C(C)C(=O)CC1CC1 1458a_100000755409_100000742324 [0,1,0,1,0,0|0,0,2]=4 2806 B11R1.503 CC(C)C(C)N(C)CC1CC1 2230a_100000228512_100000742324 [0,1,0,1,0,0|2,0,0]=4 2807 B11R1.503 CC(C)C(C)N(C)CC1CC1 269982a_100000228512_100000756562 [0,1,0,1,0,0|2,0,0]=4 2808 B11R1.503 CC(C)N(C)C(C)CC1CC1 270004a_200000211004_200000686933 [0,1,0,1,0,0|2,0,0]=4 2809 B11R1.503 CC(C)[C@@H](O)C(=O)CC1CC1 1458a_100000691806_100000742324 [0,1,0,1,0,0|0,0,2]=4 2810 B11R1.719 CC(C)CC(C)C(=O)C1CC1 1458a_100000210395_100000731052 [0,1,0,1,0,0|1,0,1]=4 2811 B11R1.719 CC(C)CC(C)N(C)C1CC1 2230a_100000226674_100000731052 [0,1,0,1,0,0|2,0,0]=4 2812 B11R1.719 CC(C)CC(C)N(C)C1CC1 269982a_100000226674_100000731052 [0,1,0,1,0,0|2,0,0]=4 2813 B11R1.719 CC(C)CC(C)N(C)C1CC1 269982a_100000745462_100000211595 [0,1,0,1,0,0|2,0,0]=4 2814 B11R1.1106 CC(C)C(=O)C1CC(C1)(C)C 1458a_100000695498_100000210206 [0,1,0,1,0,0|1,0,1]=4 2815 B11R1.76 CC1CCC(C1)OC(C)(C)C 34a_100000698185_100000210625 [0,1,0,1,0,0|2,0,0]=4 2816 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)C 270004a_100016987628_100011204126 [0,1,0,1,0,0|2,0,0]=4 2817 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)C 34a_100016987628_100011219605 [0,1,0,1,0,0|2,0,0]=4 2818 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)F 34a_100016987628_100011997219 [0,1,0,1,0,0|2,0,0]=4 2819 B11R1.76 C[C@@H]1CCN(C1)CC(C)(C)O 34a_100016987628_100000764493 [0,1,0,1,0,0|2,0,0]=4 2820 B11R1.728 CC(C)CC(=O)CC1(CC1)C 1458a_100000112800_100000210624 [0,1,0,1,0,0|0,0,2]=4 2821 B11R1.728 CC(C)CC(=O)CC1(CO1)C 1458a_100000210554_100000760498 [0,1,0,1,0,0|0,0,2]=4 2822 B11R1.728 CC(C)CC(C)NC1(CC1)C 2230a_100000757604_100000731052 [0,1,0,1,0,0|2,0,0]=4 2823 B11R1.728 CC(C)CC(C)OC1(CC1)C 7a_100011725673_100000731052 [0,1,0,1,0,0|2,0,0]=4 2824 B11R1.728 CC(C)CN(C)CC1(CO1)C 269982a_100000747067_100000760498 [0,1,0,1,0,0|2,0,0]=4 2825 B11R1.1127 CC(C)(C)CC(=O)CC1CC1 1458a_100000211214_100000742324 [0,1,0,1,0,0|0,0,2]=4 2826 B11R1.1127 CC(C)(O)CC(=O)CC1CC1 1458a_100000693243_100000742324 [0,1,0,1,0,0|0,0,2]=4 2827 B11R1.1127 CN(CC1CC1)CC(C)(C)C 2230a_100000742839_100000742324 [0,1,0,1,0,0|2,0,0]=4 2828 B11R1.1127 CN(CC1CC1)CC(C)(C)C 269982a_100000742839_100000756562 [0,1,0,1,0,0|2,0,0]=4 2829 B11R1.1127 CN(CC1CC1)CC(C)(C)C 270004a_100000741881_100011204126 [0,1,0,1,0,0|2,0,0]=4 2830 B11R1.1127 CN(CC1CC1)CC(C)(C)O 2230a_100000755907_100000742324 [0,1,0,1,0,0|2,0,0]=4 2831 B11R1.1127 CN(CC1CC1)CC(C)(C)O 269982a_100000755907_100000756562 [0,1,0,1,0,0|2,0,0]=4 2832 B11R1.1314 CC(C)(C)CN1CC(C1)(C)C 270004a_100000753659_100011204126 [0,1,0,1,0,0|2,0,0]=4 2833 B11R1.10 CC1(CN(C[C@H](O1)CO)[13CH3])C 2230a_100020634577_200025704644 [0,1,0,1,0,0|2,0,0]=4 2834 B11R1.10 CC1(CN(C[C@H](O1)CO)[13CH3])C 269982a_100020634577_200025704644 [0,1,0,1,0,0|2,0,0]=4 2835 B11R1.10 CC1(CN(C[C@H](O1)CO)[13CH3])C 34a_100020634577_200025704644 [0,1,0,1,0,0|2,0,0]=4 2836 B11R1.10 CC1=CC(CC(C1)(C)C)O[13CH3] 34a_100000211225_200025704644 [0,1,0,1,0,0|0,0,2]=4 2837 B11R1.10 CC1CC(CC(C1)(C)C)N[13CH3] 2230a_100011207991_200025704644 [0,1,0,1,0,0|1,0,0]=3 2838 B11R1.10 CN1C[C@H](OC(C1)(C)C)CO 2230a_100020634577_200000210301 [0,1,0,1,0,0|2,0,0]=4 2839 B11R1.10 CN1C[C@H](OC(C1)(C)C)CO 269982a_100020634577_200000210301 [0,1,0,1,0,0|2,0,0]=4 2840 B11R1.10 CN1C[C@H](OC(C1)(C)C)CO 34a_100020634577_200000210301 [0,1,0,1,0,0|2,0,0]=4 2841 B11R1.10 CNC1CC(CC(C1)(C)C)C 2230a_100011207991_200000210301 [0,1,0,1,0,0|1,0,0]=3 2842 B11R1.10 CNC1CC(CC(C1)(C)C)C 270004a_106832991635_100000209998 [0,1,0,1,0,0|1,0,0]=3 2843 B11R1.10 COC1C=C(CC(C1)(C)C)C 34a_100000211225_200000210301 [0,1,0,1,0,0|0,0,2]=4 2844 B11R1.39 CC1CCC(C1)N[C@H](C)CF 270004a_100102880703_100011215218 [0,1,0,1,0,0|2,0,0]=4 2845 B11R1.39 CC1CCC(C1)N[C@H](C)CO 270004a_100000737577_100011215218 [0,1,0,1,0,0|2,0,0]=4 2846 B11R1.39 CC1CCC(C1)OC(C)CO 34a_100000698185_100012180447 [0,1,0,1,0,0|2,0,0]=4 2847 B11R1.39 CCC(C)CN1CC[C@H](C1)C 2230a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 2848 B11R1.39 CCC(C)CN1CC[C@H](C1)C 269982a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 2849 B11R1.39 CCC(C)CN1CC[C@H](C1)C 270004a_100016987628_100000243153 [0,1,0,1,0,0|2,0,0]=4 2850 B11R1.39 CCC(C)CN1CC[C@H](C1)C 34a_100016987628_100000748023 [0,1,0,1,0,0|2,0,0]=4 2851 B11R1.39 CCC(C)NC1CCC(C1)C 270004a_100000209981_100011215218 [0,1,0,1,0,0|2,0,0]=4 2852 B11R1.39 CCC(C)OC1CCC(C1)C 34a_100000698185_100011215416 [0,1,0,1,0,0|2,0,0]=4 2853 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 2230a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 2854 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 269982a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 2855 B11R1.39 CC[C@H](C)CN1CC[C@H](C1)C 34a_100016987628_100009816398 [0,1,0,1,0,0|2,0,0]=4 2856 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 2230a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 2857 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 269982a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 2858 B11R1.39 C[C@@H]1CCN(C1)C[C@@H](C)CO 34a_100016987628_100000059175 [0,1,0,1,0,0|2,0,0]=4 2859 B11R1.43 CC(C)CN1CCC(C1)CO 2230a_100000748654_100000210760 [0,1,0,1,0,0|2,0,0]=4 2860 B11R1.43 CC(C)CN1CCC(C1)CO 269982a_100000748654_100000210624 [0,1,0,1,0,0|2,0,0]=4 2861 B11R1.43 CC(C)CN1CCC(C1)CO 270004a_100000748654_100000210432 [0,1,0,1,0,0|2,0,0]=4 2862 B11R1.43 CC(C)CN1CCC(C1)CO 34a_100000748654_100000210624 [0,1,0,1,0,0|2,0,0]=4 2863 B11R1.43 CO[C@@H]1CCN(C1)CC(C)C 2230a_100000766984_100000210760 [0,1,0,1,0,0|2,0,0]=4 2864 B11R1.43 CO[C@@H]1CCN(C1)CC(C)C 269982a_100000766984_100000210624 [0,1,0,1,0,0|2,0,0]=4 2865 B11R1.43 CO[C@@H]1CCN(C1)CC(C)C 270004a_100000766984_100000210432 [0,1,0,1,0,0|2,0,0]=4 2866 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210760 [0,1,0,1,0,0|2,0,0]=4 2867 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210624 [0,1,0,1,0,0|2,0,0]=4 2868 B11R1.80 CC(C)CN1C[C@H]([C@H](C1)O)C 270004a_200015306588_100000210432 [0,1,0,1,0,0|2,0,0]=4 2869 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 2230a_100000717927_100000210760 [0,1,0,1,0,0|2,0,0]=4 2870 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000210624 [0,1,0,1,0,0|2,0,0]=4 2871 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 270004a_100000717927_100000210432 [0,1,0,1,0,0|2,0,0]=4 2872 B11R1.157 CC(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000210624 [0,1,0,1,0,0|2,0,0]=4 2873 B11R1.157 CC(C)CN1CCOC(C1)C 2230a_100000729577_100000210760 [0,1,0,1,0,0|2,0,0]=4 2874 B11R1.157 CC(C)CN1CCOC(C1)C 269982a_100000729577_100000210624 [0,1,0,1,0,0|2,0,0]=4 2875 B11R1.157 CC(C)CN1CCOC(C1)C 270004a_100000729577_100000210432 [0,1,0,1,0,0|2,0,0]=4 2876 B11R1.157 CC(C)CN1CCOC(C1)C 34a_100000729577_100000210624 [0,1,0,1,0,0|2,0,0]=4 2877 B11R1.157 CC(C)OC1CCOC(C1)C 34a_100011986385_100000210206 [0,1,0,1,0,0|2,0,0]=4 2878 B11R1.157 CC(C)OC1CCOC(C1)C 7a_100011986385_100000210206 [0,1,0,1,0,0|2,0,0]=4 2879 B11R1.157 CC1CCCC(C1)NC(C)C 2230a_100011194320_100000210206 [0,1,0,1,0,0|2,0,0]=4 2880 B11R1.157 CC1CCCC(C1)NC(C)C 34a_100011194320_100000210206 [0,1,0,1,0,0|2,0,0]=4 2881 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,1,0,1,0,0|2,0,0]=4 2882 B11R1.157 CN(C)CC1CN(CCO1)C 2230a_100000752868_200000210301 [0,1,0,1,0,0|2,0,0]=4 2883 B11R1.157 CN(C)CC1CN(CCO1)C 269982a_100000752868_200000210301 [0,1,0,1,0,0|2,0,0]=4 2884 B11R1.157 CN(C)CC1CN(CCO1)[13CH3] 2230a_100000752868_200025704644 [0,1,0,1,0,0|2,0,0]=4 2885 B11R1.157 CN(C)CC1CN(CCO1)[13CH3] 269982a_100000752868_200025704644 [0,1,0,1,0,0|2,0,0]=4 2886 B11R1.198 CC(CC1CC1)N[C@H](C)CF 270004a_100102880703_200000686933 [0,1,0,1,0,0|2,0,0]=4 2887 B11R1.198 CC(CC1CC1)N[C@H](C)CO 270004a_100000737577_200000686933 [0,1,0,1,0,0|2,0,0]=4 2888 B11R1.198 CCC(C)CC(=O)CC1CC1 1458a_100000708755_100000742324 [0,1,0,1,0,0|0,0,2]=4 2889 B11R1.198 CCC(C)CC(=O)CC1CC1 1458a_100000738066_100000748023 [0,1,0,1,0,0|0,0,2]=4 2890 B11R1.198 CCC(C)CN(C)CC1CC1 2230a_100000741881_100000748023 [0,1,0,1,0,0|2,0,0]=4 2891 B11R1.198 CCC(C)CN(C)CC1CC1 2230a_100000753921_100000742324 [0,1,0,1,0,0|2,0,0]=4 2892 B11R1.198 CCC(C)CN(C)CC1CC1 269982a_100000741881_100000748023 [0,1,0,1,0,0|2,0,0]=4 2893 B11R1.198 CCC(C)CN(C)CC1CC1 269982a_100000753921_100000756562 [0,1,0,1,0,0|2,0,0]=4 2894 B11R1.198 CCC(C)CN(C)CC1CC1 270004a_100000741881_100000243153 [0,1,0,1,0,0|2,0,0]=4 2895 B11R1.198 CCC(C)NC(C)CC1CC1 270004a_100000209981_200000686933 [0,1,0,1,0,0|2,0,0]=4 2896 B11R1.198 CC[C@H](C)CC(=O)CC1CC1 1458a_100000738066_100009816398 [0,1,0,1,0,0|0,0,2]=4 2897 B11R1.198 CC[C@H](C)CN(C)CC1CC1 2230a_100000741881_100009816398 [0,1,0,1,0,0|2,0,0]=4 2898 B11R1.198 CC[C@H](C)CN(C)CC1CC1 269982a_100000741881_100009816398 [0,1,0,1,0,0|2,0,0]=4 2899 B11R1.198 C[C@@H](CO)CC(=O)CC1CC1 1458a_100000738066_100000059175 [0,1,0,1,0,0|0,0,2]=4 2900 B11R1.198 C[C@@H](CO)CN(C)CC1CC1 2230a_100000741881_100000059175 [0,1,0,1,0,0|2,0,0]=4 2901 B11R1.198 C[C@@H](CO)CN(C)CC1CC1 269982a_100000741881_100000059175 [0,1,0,1,0,0|2,0,0]=4 2902 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,1,0,1,0,0|0,0,2]=4 2903 B11R1.413 CC(C)CN1CC(C1)(C)CO 2230a_100015203900_100000210760 [0,1,0,1,0,0|2,0,0]=4 2904 B11R1.413 CC(C)CN1CC(C1)(C)CO 269982a_100015203900_100000210624 [0,1,0,1,0,0|2,0,0]=4 2905 B11R1.413 CC(C)CN1CC(C1)(C)CO 270004a_100015203900_100000210432 [0,1,0,1,0,0|2,0,0]=4 2906 B11R1.413 COC1(CN(C1)CC(C)C)C 2230a_100000695453_100000210760 [0,1,0,1,0,0|2,0,0]=4 2907 B11R1.413 COC1(CN(C1)CC(C)C)C 269982a_100000695453_100000210624 [0,1,0,1,0,0|2,0,0]=4 2908 B11R1.413 COC1(CN(C1)CC(C)C)C 270004a_100000695453_100000210432 [0,1,0,1,0,0|2,0,0]=4 2909 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000210554_100000763275 [0,1,0,1,0,0|0,0,2]=4 2910 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000763092_100000210624 [0,1,0,1,0,0|0,0,2]=4 2911 B11R1.484 CC(C)CC(=O)CC1CCO1 1458a_100000210554_100000103362 [0,1,0,1,0,0|0,0,2]=4 2912 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000210554_100010264016 [0,1,0,1,0,0|0,0,2]=4 2913 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000687760_100000210624 [0,1,0,1,0,0|0,0,2]=4 2914 B11R1.484 CC(C)CC(C)NC1CCC1 2230a_100000749019_100000731052 [0,1,0,1,0,0|2,0,0]=4 2915 B11R1.484 CC(C)CC(C)NC1CCC1 270004a_100000692259_100000241760 [0,1,0,1,0,0|2,0,0]=4 2916 B11R1.484 CC(C)CC(C)NC1CCC1 34a_100000749019_100000731052 [0,1,0,1,0,0|2,0,0]=4 2917 B11R1.484 CC(C)CC(C)NC1COC1 2230a_100016991112_100000731052 [0,1,0,1,0,0|2,0,0]=4 2918 B11R1.484 CC(C)CC(C)OC1CCC1 34a_100000211805_100000749161 [0,1,0,1,0,0|2,0,0]=4 2919 B11R1.484 CC(C)CC(C)OC1CCC1 34a_100000748187_100000731052 [0,1,0,1,0,0|2,0,0]=4 2920 B11R1.484 CC(C)CC(C)OC1COC1 34a_100000211805_100009818527 [0,1,0,1,0,0|2,0,0]=4 2921 B11R1.484 CC(C)CC(C)OC1COC1 7a_100000211805_100009818527 [0,1,0,1,0,0|2,0,0]=4 2922 B11R1.484 CC(C)CC(C)OC1CSC1 7a_100000072292_100000731052 [0,1,0,1,0,0|2,0,0]=4 2923 B11R1.484 CC(C)CC(C)SC1CCC1 62a_100000731052_100000749161 [0,1,0,1,0,0|2,0,0]=4 2924 B11R1.484 CC(C)CC(C)SC1COC1 62a_100000731052_100009818527 [0,1,0,1,0,0|2,0,0]=4 2925 B11R1.484 CC(C)CN(C)CC1CCC1 2230a_100000747067_100000763275 [0,1,0,1,0,0|2,0,0]=4 2926 B11R1.484 CC(C)CN(C)CC1CCC1 2230a_200000750244_100000210760 [0,1,0,1,0,0|2,0,0]=4 2927 B11R1.484 CC(C)CN(C)CC1CCC1 269982a_100000747067_100000763275 [0,1,0,1,0,0|2,0,0]=4 2928 B11R1.484 CC(C)CN(C)CC1CCC1 269982a_200000750244_100000210624 [0,1,0,1,0,0|2,0,0]=4 2929 B11R1.484 CC(C)CN(C)CC1CCC1 270004a_200000750244_100000210432 [0,1,0,1,0,0|2,0,0]=4 2930 B11R1.484 CC(C)CN(C)CC1CCC1 34a_200000750244_100000210624 [0,1,0,1,0,0|2,0,0]=4 2931 B11R1.484 CC(C)CN(C)CC1CCO1 2230a_100000747067_100000103362 [0,1,0,1,0,0|2,0,0]=4 2932 B11R1.484 CC(C)CN(C)CC1CCO1 269982a_100000747067_100000103362 [0,1,0,1,0,0|2,0,0]=4 2933 B11R1.484 CC(C)CN(C)CC1COC1 2230a_100000747067_100010264016 [0,1,0,1,0,0|2,0,0]=4 2934 B11R1.484 CC(C)CN(C)CC1COC1 269982a_100000747067_100010264016 [0,1,0,1,0,0|2,0,0]=4 2935 B11R1.815 CC1CC1C(=O)C[C@@H](C)CO 1458a_100000211227_100000059175 [0,1,0,1,0,0|0,0,2]=4 2936 B11R1.815 CCC(C)CC(=O)C1CC1C 1458a_100000211227_100000748023 [0,1,0,1,0,0|0,0,2]=4 2937 B11R1.815 CC[C@H](C)CC(=O)C1CC1C 1458a_100000211227_100009816398 [0,1,0,1,0,0|0,0,2]=4 2938 B11R1.897 CCC(C)CN1CC(C1)(C)C 2230a_100000753659_100000748023 [0,1,0,1,0,0|2,0,0]=4 2939 B11R1.897 CCC(C)CN1CC(C1)(C)C 269982a_100000753659_100000748023 [0,1,0,1,0,0|2,0,0]=4 2940 B11R1.897 CCC(C)CN1CC(C1)(C)C 270004a_100000753659_100000243153 [0,1,0,1,0,0|2,0,0]=4 2941 B11R1.897 CC[C@H](C)CN1CC(C1)(C)C 2230a_100000753659_100009816398 [0,1,0,1,0,0|2,0,0]=4 2942 B11R1.897 CC[C@H](C)CN1CC(C1)(C)C 269982a_100000753659_100009816398 [0,1,0,1,0,0|2,0,0]=4 2943 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)C 2230a_100000753659_100000059175 [0,1,0,1,0,0|2,0,0]=4 2944 B11R1.897 C[C@@H](CO)CN1CC(C1)(C)C 269982a_100000753659_100000059175 [0,1,0,1,0,0|2,0,0]=4 2945 B11R1.49 CC(C)N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210206 [0,1,0,1,0,0|2,0,0]=4 2946 B11R1.49 CC(C)N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000210206 [0,1,0,1,0,0|2,0,0]=4 2947 B11R1.49 CC(C)N1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000210206 [0,1,0,1,0,0|2,0,0]=4 2948 B11R1.49 CC(C)N1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000210206 [0,1,0,1,0,0|2,0,0]=4 2949 B11R1.49 CC(C)N1C[C@H](C[C@H]1CO)F 34a_100015204000_100000210206 [0,1,0,1,0,0|2,0,0]=4 2950 B11R1.933 CC(C)CC1(CC1)NC(C)C 2230a_100000732712_100000210206 [0,1,0,1,0,0|2,0,0]=4 2951 B11R1.1032 C#CC(CC(C)C)OC1CC1 34a_100011215986_100000211595 [0,1,0,1,0,0|2,0,0]=4 2952 B11R1.1032 C=CC(CC(C)C)OC1CC1 34a_100012186643_100000211595 [0,1,0,1,0,0|2,0,0]=4 2953 B11R1.1032 CC(C)CC(C#N)OC1CC1 34a_200011294978_100000211595 [0,1,0,1,0,0|2,0,0]=4 2954 B11R1.1032 CC(C)C[C@@H](CO)NC1CC1 34a_100011830311_100000211595 [0,1,0,1,0,0|1,0,0]=3 2955 B11R1.1032 CCN(CC(C)C)CC1CC1 2230a_100000738554_100000742324 [0,1,0,1,0,0|2,0,0]=4 2956 B11R1.1032 CCN(CC(C)C)CC1CC1 269982a_100000738554_100000756562 [0,1,0,1,0,0|2,0,0]=4 2957 B11R2.351 CC1CCC(C1)OC2CC2 34a_100000698185_100000211595 [0,0,0,2,0,0|2,0,0]=4 2958 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 2230a_100016987628_100000742324 [0,0,0,2,0,0|2,0,0]=4 2959 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 269982a_100016987628_100000756562 [0,0,0,2,0,0|2,0,0]=4 2960 B11R2.351 C[C@@H]1CCN(C1)CC2CC2 34a_100016987628_100000742324 [0,0,0,2,0,0|2,0,0]=4 2961 B11R2.845 CC(C)N1CC2CCC1C2 2230a_100000743476_100000210206 [0,0,0,2,0,0|2,0,0]=4 2962 B11R2.845 CC(C)N1CC2CCC1C2 269982a_100000743476_100000210206 [0,0,0,2,0,0|2,0,0]=4 2963 B11R2.845 CC(C)N1CC2CCC1C2 34a_100000743476_100000210206 [0,0,0,2,0,0|2,0,0]=4 2964 B11R2.845 CN(C)C1CC2CCC1C2 2230a_200000720876_200000210301 [0,0,0,2,0,0|2,0,0]=4 2965 B11R2.845 CN(C)C1CC2CCC1C2 269982a_100102631434_100000727232 [0,0,0,2,0,0|2,0,0]=4 2966 B11R2.845 CN(C)C1CC2CCC1C2 269982a_200000720876_200000210301 [0,0,0,2,0,0|2,0,0]=4 2967 B11R2.845 CN(C)C1CC2CCC1C2 270004a_100102631434_100000223372 [0,0,0,2,0,0|2,0,0]=4 2968 B11R2.845 CN(C)C1CC2CCC1C2 34a_200000720876_200000210301 [0,0,0,2,0,0|2,0,0]=4 2969 B11R2.845 CN([13CH3])C1CC2CCC1C2 2230a_200000720876_200025704644 [0,0,0,2,0,0|2,0,0]=4 2970 B11R2.845 CN([13CH3])C1CC2CCC1C2 269982a_200000720876_200025704644 [0,0,0,2,0,0|2,0,0]=4 2971 B11R2.845 CN([13CH3])C1CC2CCC1C2 34a_200000720876_200025704644 [0,0,0,2,0,0|2,0,0]=4 2972 B11R2.932 CC(C)OC1CCC2C1C2 34a_200012295571_100000210206 [0,0,0,2,0,0|2,0,0]=4 2973 B11R2.934 CC(C)CN1CC2CC2C1 2230a_100000741873_100000210760 [0,0,0,2,0,0|2,0,0]=4 2974 B11R2.934 CC(C)CN1CC2CC2C1 269982a_100000741873_100000210624 [0,0,0,2,0,0|2,0,0]=4 2975 B11R2.934 CC(C)CN1CC2CC2C1 270004a_100000741873_100000210432 [0,0,0,2,0,0|2,0,0]=4 2976 B11R2.934 CC(C)CN1CC2CC2C1 34a_100000741873_100000210624 [0,0,0,2,0,0|2,0,0]=4 2977 B11R2.455 CC1CC1C(=O)CC2CC2 1458a_100000211227_100000742324 [0,0,0,2,0,0|0,0,2]=4 2978 B11R2.377 CC1(CN(C1)CC2CC2)C 2230a_100000753659_100000742324 [0,0,0,2,0,0|2,0,0]=4 2979 B11R2.377 CC1(CN(C1)CC2CC2)C 269982a_100000753659_100000756562 [0,0,0,2,0,0|2,0,0]=4 2980 B11R2.1862 CC(C)CN1CC2(C1)CC2 2230a_100015196877_100000210760 [0,0,0,2,0,0|2,0,0]=4 2981 B11R2.1862 CC(C)CN1CC2(C1)CC2 269982a_100015196877_100000210624 [0,0,0,2,0,0|2,0,0]=4 2982 B11R2.1862 CC(C)CN1CC2(C1)CC2 270004a_100015196877_100000210432 [0,0,0,2,0,0|2,0,0]=4 2983 B11R2.1862 CC(C)CN1CC2(C1)CC2 34a_100015196877_100000210624 [0,0,0,2,0,0|2,0,0]=4 2984 B11R2.1892 CN(CC1CC1)CC2CC2 2230a_100000741881_100000742324 [0,0,0,2,0,0|2,0,0]=4 2985 B11R2.1892 CN(CC1CC1)CC2CC2 269982a_100000741881_100000756562 [0,0,0,2,0,0|2,0,0]=4 2986 B11R2.1892 O=C(CC1CC1)CC2CC2 1458a_100000738066_100000742324 [0,0,0,2,0,0|0,0,2]=4 2987 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,0,0,0,1,0|1,0,0]=3 2988 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,0,0,0,1,0|1,0,0]=3 2989 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,0,0,0,1,0|2,0,0]=4 2990 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,1,0|0,0,2]=4 2991 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,1,0|0,0,2]=4 2992 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [1,0,0,0,1,0|2,0,0]=4 2993 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [1,0,0,0,1,0|2,0,0]=4 2994 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [1,0,0,0,1,0|2,0,0]=4 2995 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,0,0,0,1,0|2,0,0]=4 2996 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,0,0,0,1,0|2,0,0]=4 2997 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,0,0,0,1,0|2,0,0]=4 2998 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,0,0,0,1,0|2,0,0]=4 2999 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,0,0,0,1,0|2,0,0]=4 3000 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,0,0,0,1,0|2,0,0]=4 3001 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,0,0,0,1,0|2,0,0]=4 3002 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,1,0|1,0,1]=4 3003 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,1,0|1,0,1]=4 3004 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,0,0,0,1,0|2,0,0]=4 3005 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,0,0,0,1,0|2,0,0]=4 3006 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,0,0,0,1,0|1,0,0]=3 3007 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,0,0,0,1,0|1,0,0]=3 3008 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,0,0,0,1,0|2,0,0]=4 3009 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,1,0|1,0,1]=4 3010 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,1,0|1,0,1]=4 3011 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [1,0,0,0,1,0|2,0,0]=4 3012 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,1,0|1,0,1]=4 3013 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,0,0,1,0|1,0,0]=3 3014 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,0,0,1,0|1,0,0]=3 3015 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,0,0,1,0|1,0,0]=3 3016 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,0,0,1,0|1,0,0]=3 3017 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,0,0,1,0|1,0,0]=3 3018 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,0,0,1,0|1,0,0]=3 3019 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [1,0,0,0,1,0|1,0,0]=3 3020 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [1,0,0,0,1,0|1,0,0]=3 3021 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [1,0,0,0,1,0|1,0,0]=3 3022 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [1,0,0,0,1,0|1,0,0]=3 3023 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,0,0,0,1,0|1,0,0]=3 3024 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,0,0,0,1,0|1,0,0]=3 3025 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [1,0,0,0,1,0|1,0,0]=3 3026 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [1,0,0,0,1,0|1,0,0]=3 3027 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [1,0,0,0,1,0|2,0,0]=4 3028 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [1,0,0,0,1,0|2,0,0]=4 3029 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [1,0,0,0,1,0|2,0,0]=4 3030 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [1,0,0,0,1,0|2,0,0]=4 3031 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [1,0,0,0,1,0|2,0,0]=4 3032 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [1,0,0,0,1,0|2,0,0]=4 3033 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,0,0,0,1,0|2,0,0]=4 3034 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [1,0,0,0,1,0|2,0,0]=4 3035 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [1,0,0,0,1,0|2,0,0]=4 3036 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [1,0,0,0,1,0|2,0,0]=4 3037 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,0,0,0,1,0|2,0,0]=4 3038 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,0,0,0,1,0|2,0,0]=4 3039 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [1,0,0,0,1,0|2,0,0]=4 3040 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [1,0,0,0,1,0|2,0,0]=4 3041 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [1,0,0,0,1,0|2,0,0]=4 3042 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [1,0,0,0,1,0|2,0,0]=4 3043 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,0,0,0,1,0|2,0,0]=4 3044 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [1,0,0,0,1,0|2,0,0]=4 3045 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [1,0,0,0,1,0|2,0,0]=4 3046 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [1,0,0,0,1,0|2,0,0]=4 3047 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [1,0,0,0,1,0|2,0,0]=4 3048 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [1,0,0,0,1,0|2,0,0]=4 3049 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,0,0,2,0|1,0,1]=4 3050 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,0,0,0,2,0|0,0,2]=4 3051 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,0,0,0,2,0|2,0,0]=4 3052 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,0,0,0,2,0|2,0,0]=4 3053 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,0,0,0,2,0|2,0,0]=4 3054 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,0,0,0,2,0|2,0,0]=4 3055 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [0,0,0,0,2,0|2,0,0]=4 3056 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [0,0,0,0,2,0|2,0,0]=4 3057 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [0,0,0,0,2,0|2,0,0]=4 3058 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [0,0,0,0,2,0|2,0,0]=4 3059 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [0,0,0,0,2,0|2,0,0]=4 3060 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [0,0,0,0,2,0|2,0,0]=4 3061 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [0,0,0,0,2,0|2,0,0]=4 3062 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,0,0,2,0|1,0,1]=4 3063 B9R0.48 CC(C)CNC(C)CCO 2230a_100000210953_100009893172 [1,0,0,0,0,1|2,0,0]=4 3064 B9R0.48 CC(C)CNC(C)CCO 34a_100000210953_100009893172 [1,0,0,0,0,1|2,0,0]=4 3065 B9R0.48 CC(C)CN[C@H](C)CCO 2230a_100000706166_100000210760 [1,0,0,0,0,1|2,0,0]=4 3066 B9R0.48 CC(C)CN[C@H](C)CCO 270004a_100000706166_100000210432 [1,0,0,0,0,1|2,0,0]=4 3067 B9R0.48 CC(C)CN[C@H](C)CCO 34a_100000706166_100000210624 [1,0,0,0,0,1|2,0,0]=4 3068 B9R0.48 CC(C)COC(C)CCBr 34a_100012276601_100000210624 [1,0,0,0,0,1|2,0,0]=4 3069 B9R0.48 CC(C)COC(C)CCO 34a_100000210257_100009893172 [1,0,0,0,0,1|2,0,0]=4 3070 B9R0.48 CC(C)CSC(C)CCO 62a_100000210624_100009893172 [1,0,0,0,0,1|2,0,0]=4 3071 B9R0.48 CC(C)CSC(C)CCO 62a_100009893172_100000210760 [1,0,0,0,0,1|2,0,0]=4 3072 B9R0.48 CC(C)NC[C@@H](O)CC#N 2230a_100138425928_100000001066 [1,0,0,0,0,1|1,0,1]=4 3073 B9R0.48 CC(C)SC[C@@H](O)CC#N 62a_100000001066_100000210206 [1,0,0,0,0,1|1,0,1]=4 3074 B9R0.48 CC(C)SC[C@@H](O)CC#N 62a_100000210206_100000001066 [1,0,0,0,0,1|1,0,1]=4 3075 B9R0.48 CC(CCN)COC(C)C 34a_106354213184_100000210206 [1,0,0,0,0,1|2,0,0]=4 3076 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,0,0,0,0,1|0,0,2]=4 3077 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,0,0,0,0,1|0,0,2]=4 3078 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,0,0,0,0,1|0,0,2]=4 3079 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,0,0,0,0,1|0,0,2]=4 3080 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,0,0,0,0,1|0,0,2]=4 3081 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,0,0,0,0,1|0,0,2]=4 3082 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,0,0,0,0,1|0,0,2]=4 3083 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,0,0,0,0,1|0,0,2]=4 3084 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,0,0,0,0,1|0,0,2]=4 3085 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,0,0,0,0,1|0,0,2]=4 3086 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,0,0,0,0,1|0,0,2]=4 3087 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [1,0,0,0,0,1|1,0,0]=3 3088 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [1,0,0,0,0,1|1,0,0]=3 3089 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [1,0,0,0,0,1|1,0,0]=3 3090 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [1,0,0,0,0,1|1,0,0]=3 3091 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [1,0,0,0,0,1|1,0,0]=3 3092 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [1,0,0,0,0,1|1,0,0]=3 3093 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [1,0,0,0,0,1|1,0,0]=3 3094 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [1,0,0,0,0,1|1,0,0]=3 3095 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [1,0,0,0,0,1|1,0,0]=3 3096 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [1,0,0,0,0,1|1,0,0]=3 3097 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [1,0,0,0,0,1|1,0,0]=3 3098 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [1,0,0,0,0,1|1,0,0]=3 3099 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [1,0,0,0,0,1|2,0,0]=4 3100 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [1,0,0,0,0,1|2,0,0]=4 3101 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [1,0,0,0,0,1|2,0,0]=4 3102 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [1,0,0,0,0,1|2,0,0]=4 3103 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [1,0,0,0,0,1|2,0,0]=4 3104 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [1,0,0,0,0,1|2,0,0]=4 3105 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [1,0,0,0,0,1|1,0,0]=3 3106 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [1,0,0,0,0,1|1,0,0]=3 3107 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [1,0,0,0,0,1|1,0,0]=3 3108 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [1,0,0,0,0,1|2,0,0]=4 3109 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [1,0,0,0,0,1|2,0,0]=4 3110 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [1,0,0,0,0,1|2,0,0]=4 3111 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [1,0,0,0,0,1|2,0,0]=4 3112 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [1,0,0,0,0,1|2,0,0]=4 3113 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [1,0,0,0,0,1|2,0,0]=4 3114 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [1,0,0,0,0,1|2,0,0]=4 3115 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [1,0,0,0,0,1|1,0,0]=3 3116 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [1,0,0,0,0,1|1,0,0]=3 3117 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [1,0,0,0,0,1|2,0,0]=4 3118 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [1,0,0,0,0,1|2,0,0]=4 3119 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [1,0,0,0,0,1|2,0,0]=4 3120 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [1,0,0,0,0,1|2,0,0]=4 3121 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [1,0,0,0,0,1|2,0,0]=4 3122 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [1,0,0,0,0,1|2,0,0]=4 3123 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [1,0,0,0,0,1|2,0,0]=4 3124 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [1,0,0,0,0,1|2,0,0]=4 3125 B9R0.48 CCCN(C)COC(C)C 2230a_100000747261_100000709892 [1,0,0,0,0,1|2,0,0]=4 3126 B9R0.48 CCCN(C)COC(C)C 269982a_100000747261_100000709892 [1,0,0,0,0,1|2,0,0]=4 3127 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [1,0,0,0,0,1|1,0,0]=3 3128 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [1,0,0,0,0,1|2,0,0]=4 3129 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [1,0,0,0,0,1|2,0,0]=4 3130 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [1,0,0,0,0,1|2,0,0]=4 3131 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [1,0,0,0,0,1|2,0,0]=4 3132 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [1,0,0,0,0,1|2,0,0]=4 3133 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [1,0,0,0,0,1|2,0,0]=4 3134 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [1,0,0,0,0,1|2,0,0]=4 3135 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [1,0,0,0,0,1|2,0,0]=4 3136 B9R0.48 COCC(C)NCC(C)C 2230a_100000210953_100000765312 [1,0,0,0,0,1|2,0,0]=4 3137 B9R0.48 COCC(C)NCC(C)C 270004a_100000210953_100000749346 [1,0,0,0,0,1|2,0,0]=4 3138 B9R0.48 COCC(C)NCC(C)C 34a_100000210953_100000765312 [1,0,0,0,0,1|2,0,0]=4 3139 B9R0.48 COCC(C)OCC(C)C 34a_100000210257_100000765312 [1,0,0,0,0,1|2,0,0]=4 3140 B9R0.48 COCC(C)SCC(C)C 62a_100000210624_100000765312 [1,0,0,0,0,1|2,0,0]=4 3141 B9R0.48 COCC(C)SCC(C)C 62a_100000765312_100000210760 [1,0,0,0,0,1|2,0,0]=4 3142 B9R0.48 COCC(N)COC(C)C 34a_100000724102_100000210206 [1,0,0,0,0,1|2,0,0]=4 3143 B9R0.48 COCC(O)CNC(C)C 2230a_100000756049_100000210206 [1,0,0,0,0,1|1,0,0]=3 3144 B9R0.48 COCC(O)CNC(C)C 34a_100000756049_100000210206 [1,0,0,0,0,1|1,0,0]=3 3145 B9R0.48 COCC(O)CNC(C)C 34a_100138425928_100011215053 [1,0,0,0,0,1|1,0,0]=3 3146 B9R0.48 COCC(O)COC(C)C 34a_100000212225_100011215053 [1,0,0,0,0,1|1,0,0]=3 3147 B9R0.48 COCC(O)CSC(C)C 62a_100000210206_100011215053 [1,0,0,0,0,1|1,0,0]=3 3148 B9R0.48 COCC(O)CSC(C)C 62a_100011215053_100000210206 [1,0,0,0,0,1|1,0,0]=3 3149 B9R0.48 COC[C@@H](C)NCC(C)C 2230a_100000764878_100000210760 [1,0,0,0,0,1|2,0,0]=4 3150 B9R0.48 COC[C@@H](C)NCC(C)C 270004a_100000764878_100000210432 [1,0,0,0,0,1|2,0,0]=4 3151 B9R0.48 COC[C@@H](C)OCC(C)C 34a_100011934205_100000210624 [1,0,0,0,0,1|2,0,0]=4 3152 B9R0.48 CSCC(C)NCC(C)C 270004a_100000210953_100011216314 [1,0,0,0,0,1|2,0,0]=4 3153 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [1,0,0,0,0,1|0,0,2]=4 3154 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [1,0,0,0,0,1|0,0,2]=4 3155 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [1,0,0,0,0,1|0,0,2]=4 3156 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [1,0,0,0,0,1|0,0,2]=4 3157 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [1,0,0,0,0,1|0,0,2]=4 3158 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [1,0,0,0,0,1|0,0,2]=4 3159 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [1,0,0,0,0,1|0,0,2]=4 3160 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [1,0,0,0,0,1|0,0,2]=4 3161 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [1,0,0,0,0,1|0,0,2]=4 3162 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [1,0,0,0,0,1|0,0,2]=4 3163 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [1,0,0,0,0,1|0,0,2]=4 3164 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [1,0,0,0,0,1|0,0,2]=4 3165 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [1,0,0,0,0,1|0,0,2]=4 3166 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [1,0,0,0,0,1|0,0,2]=4 3167 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [1,0,0,0,0,1|0,0,2]=4 3168 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [1,0,0,0,0,1|0,0,2]=4 3169 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [1,0,0,0,0,1|0,0,2]=4 3170 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [1,0,0,0,0,1|0,0,2]=4 3171 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [1,0,0,0,0,1|0,0,2]=4 3172 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [1,0,0,0,0,1|0,0,2]=4 3173 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [1,0,0,0,0,1|0,0,2]=4 3174 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [1,0,0,0,0,1|0,0,2]=4 3175 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [1,0,0,0,0,1|0,0,2]=4 3176 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [1,0,0,0,0,1|0,0,2]=4 3177 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,0,0,0,0,1|1,0,1]=4 3178 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,0,0,0,0,1|1,0,1]=4 3179 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,0,0,0,0,1|1,0,1]=4 3180 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,0,0,0,0,1|1,0,1]=4 3181 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,0,0,0,0,1|1,0,1]=4 3182 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,0,0,0,0,1|1,0,1]=4 3183 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,0,0,0,0,1|1,0,1]=4 3184 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,0,0,0,0,1|1,0,1]=4 3185 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,0,0,0,0,1|1,0,1]=4 3186 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,0,0,0,0,1|1,0,1]=4 3187 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,0,0,0,0,1|1,0,1]=4 3188 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,0,0,0,0,1|1,0,1]=4 3189 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,0,0,0,0,1|1,0,1]=4 3190 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,0,0,0,0,1|1,0,1]=4 3191 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,0,0,0,0,1|1,0,1]=4 3192 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,0,0,0,0,1|1,0,1]=4 3193 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,0,0,0,0,1|1,0,1]=4 3194 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [1,0,0,0,0,1|2,0,0]=4 3195 B9R0.55 CC(Br)COCOC(C)C 34a_100012180447_100000709892 [1,0,0,0,0,1|2,0,0]=4 3196 B9R0.55 CC(C)CC=NNC(C)C 4a_100000741168_100000185833 [1,0,0,0,0,1|1,0,1]=4 3197 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,0,0,0,0,1|1,0,1]=4 3198 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [1,0,0,0,0,1|1,0,0]=3 3199 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [1,0,0,0,0,1|1,0,0]=3 3200 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [1,0,0,0,0,1|0,0,0]=2 3201 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [1,0,0,0,0,1|0,0,0]=2 3202 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [1,0,0,0,0,1|0,0,0]=2 3203 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [1,0,0,0,0,1|0,0,0]=2 3204 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [1,0,0,0,0,1|0,0,0]=2 3205 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [1,0,0,0,0,1|0,0,0]=2 3206 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [1,0,0,0,0,1|0,0,0]=2 3207 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [1,0,0,0,0,1|0,0,0]=2 3208 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [1,0,0,0,0,1|0,0,0]=2 3209 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [1,0,0,0,0,1|0,0,0]=2 3210 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [1,0,0,0,0,1|0,0,0]=2 3211 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [1,0,0,0,0,1|0,0,0]=2 3212 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [1,0,0,0,0,1|0,0,0]=2 3213 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [1,0,0,0,0,1|1,0,0]=3 3214 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [1,0,0,0,0,1|1,0,0]=3 3215 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [1,0,0,0,0,1|1,0,0]=3 3216 B9R0.55 CC(C)CCNCC(F)F 34a_100000765723_100000210312 [1,0,0,0,0,1|2,0,0]=4 3217 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [1,0,0,0,0,1|1,0,0]=3 3218 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,0,0,0,0,1|0,0,0]=2 3219 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,0,0,0,0,1|0,0,0]=2 3220 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,0,0,0,0,1|0,0,0]=2 3221 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [1,0,0,0,0,1|1,0,0]=3 3222 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [1,0,0,0,0,1|1,0,0]=3 3223 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [1,0,0,0,0,1|1,0,0]=3 3224 B9R0.55 CC(C)CCOCC(F)F 34a_100000210254_100011934356 [1,0,0,0,0,1|2,0,0]=4 3225 B9R0.55 CC(C)CCOCC(F)F 34a_100000743014_100000210312 [1,0,0,0,0,1|2,0,0]=4 3226 B9R0.55 CC(C)CCOCC(F)F 7a_100000210254_100011934356 [1,0,0,0,0,1|2,0,0]=4 3227 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [1,0,0,0,0,1|1,0,0]=3 3228 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [1,0,0,0,0,1|1,0,0]=3 3229 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [1,0,0,0,0,1|1,0,0]=3 3230 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [1,0,0,0,0,1|1,0,0]=3 3231 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [1,0,0,0,0,1|0,0,0]=2 3232 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [1,0,0,0,0,1|0,0,0]=2 3233 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [1,0,0,0,0,1|1,0,0]=3 3234 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [1,0,0,0,0,1|1,0,0]=3 3235 B9R0.55 CC(C)CCSCC(F)F 62a_100000210312_100011934356 [1,0,0,0,0,1|2,0,0]=4 3236 B9R0.55 CC(C)CCSCC(F)F 62a_100011934356_100000210312 [1,0,0,0,0,1|2,0,0]=4 3237 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [1,0,0,0,0,1|1,0,0]=3 3238 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [1,0,0,0,0,1|1,0,0]=3 3239 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [1,0,0,0,0,1|1,0,0]=3 3240 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [1,0,0,0,0,1|1,0,0]=3 3241 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [1,0,0,0,0,1|1,0,0]=3 3242 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [1,0,0,0,0,1|1,0,0]=3 3243 B9R0.55 CC(C)CNCCN(C)C 270004a_100000210585_100000210432 [1,0,0,0,0,1|1,0,0]=3 3244 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [1,0,0,0,0,1|1,0,0]=3 3245 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [1,0,0,0,0,1|1,0,0]=3 3246 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [1,0,0,0,0,1|1,0,0]=3 3247 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [1,0,0,0,0,1|1,0,0]=3 3248 B9R0.55 CC(C)COCCC(F)F 34a_100103093639_100000210624 [1,0,0,0,0,1|2,0,0]=4 3249 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [1,0,0,0,0,1|1,0,0]=3 3250 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [1,0,0,0,0,1|1,0,0]=3 3251 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [1,0,0,0,0,1|1,0,0]=3 3252 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [1,0,0,0,0,1|1,0,0]=3 3253 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [1,0,0,0,0,1|1,0,0]=3 3254 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [1,0,0,0,0,1|1,0,0]=3 3255 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [1,0,0,0,0,1|1,0,0]=3 3256 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [1,0,0,0,0,1|2,0,0]=4 3257 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [1,0,0,0,0,1|1,0,0]=3 3258 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [1,0,0,0,0,1|1,0,0]=3 3259 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [1,0,0,0,0,1|1,0,0]=3 3260 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [1,0,0,0,0,1|1,0,0]=3 3261 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [1,0,0,0,0,1|1,0,0]=3 3262 B9R0.55 CC(C)NCCSC(C)C 2230a_100000731138_100000210206 [1,0,0,0,0,1|1,0,0]=3 3263 B9R0.55 CC(C)NCCSC(C)C 2230a_100138425928_100000730970 [1,0,0,0,0,1|1,0,0]=3 3264 B9R0.55 CC(C)NCCSC(C)C 34a_100000731138_100000210206 [1,0,0,0,0,1|1,0,0]=3 3265 B9R0.55 CC(C)NCCSC(C)C 34a_100138425928_100000730970 [1,0,0,0,0,1|1,0,0]=3 3266 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [1,0,0,0,0,1|1,0,0]=3 3267 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [1,0,0,0,0,1|1,0,0]=3 3268 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [1,0,0,0,0,1|1,0,0]=3 3269 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [1,0,0,0,0,1|1,0,0]=3 3270 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [1,0,0,0,0,1|1,0,0]=3 3271 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [1,0,0,0,0,1|1,0,0]=3 3272 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [1,0,0,0,0,1|1,0,0]=3 3273 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [1,0,0,0,0,1|1,0,0]=3 3274 B9R0.55 CC(C)OCOC[C@@H](C)Cl 34a_100016084084_100000709892 [1,0,0,0,0,1|2,0,0]=4 3275 B9R0.55 CC(C)OCOC[C@@H](C)N 34a_100000737577_100000709892 [1,0,0,0,0,1|2,0,0]=4 3276 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [1,0,0,0,0,1|2,0,0]=4 3277 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [1,0,0,0,0,1|2,0,0]=4 3278 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [1,0,0,0,0,1|1,0,0]=3 3279 B9R0.55 CC(C)SCCSC(C)C 62a_100000210206_100000730970 [1,0,0,0,0,1|1,0,0]=3 3280 B9R0.55 CC(C)SCCSC(C)C 62a_100000730970_100000210206 [1,0,0,0,0,1|1,0,0]=3 3281 B9R0.55 CC(F)COCOC(C)C 34a_100015925927_100000709892 [1,0,0,0,0,1|2,0,0]=4 3282 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [1,0,0,0,0,1|1,0,0]=3 3283 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [1,0,0,0,0,1|1,0,0]=3 3284 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [1,0,0,0,0,1|1,0,0]=3 3285 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [1,0,0,0,0,1|1,0,0]=3 3286 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [1,0,0,0,0,1|1,0,0]=3 3287 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [1,0,0,0,0,1|2,0,0]=4 3288 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [1,0,0,0,0,1|2,0,0]=4 3289 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [1,0,0,0,0,1|2,0,0]=4 3290 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [1,0,0,0,0,1|2,0,0]=4 3291 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [1,0,0,0,0,1|2,0,0]=4 3292 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [1,0,0,0,0,1|2,0,0]=4 3293 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [1,0,0,0,0,1|2,0,0]=4 3294 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [1,0,0,0,0,1|2,0,0]=4 3295 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [1,0,0,0,0,1|2,0,0]=4 3296 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [1,0,0,0,0,1|2,0,0]=4 3297 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [1,0,0,0,0,1|2,0,0]=4 3298 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [1,0,0,0,0,1|2,0,0]=4 3299 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [1,0,0,0,0,1|2,0,0]=4 3300 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [1,0,0,0,0,1|2,0,0]=4 3301 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [1,0,0,0,0,1|2,0,0]=4 3302 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [1,0,0,0,0,1|2,0,0]=4 3303 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [1,0,0,0,0,1|2,0,0]=4 3304 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [1,0,0,0,0,1|2,0,0]=4 3305 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [1,0,0,0,0,1|2,0,0]=4 3306 B9R0.55 CN(C)CCCCN(C)C 269982a_100102631434_100000690147 [1,0,0,0,0,1|2,0,0]=4 3307 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [1,0,0,0,0,1|2,0,0]=4 3308 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [1,0,0,0,0,1|2,0,0]=4 3309 B11R0.6 CC(=CCNC(C)CC(C)C)C 2230a_100000692259_100000761012 [0,0,0,0,0,2|1,0,1]=4 3310 B11R0.6 CC(=CCNC(C)CC(C)C)C 34a_100000718196_100000731052 [0,0,0,0,0,2|1,0,1]=4 3311 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000211805_100000761012 [0,0,0,0,0,2|1,0,1]=4 3312 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000753907_100000731052 [0,0,0,0,0,2|1,0,1]=4 3313 B11R0.6 CC(=CCOC(C)CC(C)C)C 7a_100000211805_100000761012 [0,0,0,0,0,2|1,0,1]=4 3314 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000731052_100000761012 [0,0,0,0,0,2|1,0,1]=4 3315 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000761012_100000731052 [0,0,0,0,0,2|1,0,1]=4 3316 B11R0.6 CC(C)/C=C/CC(=O)CC(C)C 1458a_100016292215_100000210624 [0,0,0,0,0,2|0,0,2]=4 3317 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,0,0,0,0,2|0,0,2]=4 3318 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,0,0,0,0,2|0,0,2]=4 3319 B11R0.6 CC(C)CC(C)NCCC(C)O 2230a_100000692259_100012276601 [0,0,0,0,0,2|2,0,0]=4 3320 B11R0.6 CC(C)CC(C)NCCC(C)O 2230a_200000755665_100000731052 [0,0,0,0,0,2|2,0,0]=4 3321 B11R0.6 CC(C)CC(C)NCOC(C)C 2230a_100000692259_100000709892 [0,0,0,0,0,2|1,0,0]=3 3322 B11R0.6 CC(C)CC(C)OCCC(C)Br 34a_100009893172_100000731052 [0,0,0,0,0,2|2,0,0]=4 3323 B11R0.6 CC(C)CC(C)OCCC(C)O 34a_100000211805_100012276601 [0,0,0,0,0,2|2,0,0]=4 3324 B11R0.6 CC(C)CC(C)OCCC(C)O 7a_100000211805_100012276601 [0,0,0,0,0,2|2,0,0]=4 3325 B11R0.6 CC(C)CC(C)OCCN(C)C 7a_100000211805_100000755713 [0,0,0,0,0,2|2,0,0]=4 3326 B11R0.6 CC(C)CC(C)OCC[C@@H](C)N 34a_100000706166_100000731052 [0,0,0,0,0,2|2,0,0]=4 3327 B11R0.6 CC(C)CC(C)OCOC(C)C 34a_100000211805_100000709892 [0,0,0,0,0,2|1,0,0]=3 3328 B11R0.6 CC(C)CC(C)SCCC(C)O 62a_100000731052_100012276601 [0,0,0,0,0,2|2,0,0]=4 3329 B11R0.6 CC(C)CC(C)SCCC(C)O 62a_100012276601_100000731052 [0,0,0,0,0,2|2,0,0]=4 3330 B11R0.6 CC(C)CC(C)SCCN(C)C 62a_100000731052_100000755713 [0,0,0,0,0,2|2,0,0]=4 3331 B11R0.6 CC(C)CC(C)SCOC(C)C 62a_100000709892_100000731052 [0,0,0,0,0,2|1,0,0]=3 3332 B11R0.6 CC(C)CC(C)SCOC(C)C 62a_100000731052_100000709892 [0,0,0,0,0,2|1,0,0]=3 3333 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,0,0,0,0,2|0,0,2]=4 3334 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,0,0,0,0,2|0,0,2]=4 3335 B11R0.6 CC(C)CCCC(C)NC(C)C 2230a_100000210607_100000210206 [0,0,0,0,0,2|2,0,0]=4 3336 B11R0.6 CC(C)CCCC(C)OC(C)C 34a_200011218570_100000210206 [0,0,0,0,0,2|2,0,0]=4 3337 B11R0.6 CC(C)CCCC(C)OC(C)C 7a_200011218570_100000210206 [0,0,0,0,0,2|2,0,0]=4 3338 B11R0.6 CC(C)CCCN(C)CC(C)C 2230a_100000747067_100011214892 [0,0,0,0,0,2|2,0,0]=4 3339 B11R0.6 CC(C)CCCN(C)CC(C)C 269982a_100000747067_100011214892 [0,0,0,0,0,2|2,0,0]=4 3340 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,0,0,0,0,2|0,0,2]=4 3341 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,0,0,0,0,2|0,0,2]=4 3342 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,0,0,0,0,2|0,0,2]=4 3343 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,0,0,0,0,2|0,0,2]=4 3344 B11R0.6 CC(C)CCNC(C)CC(C)C 2230a_100000692259_100000210312 [0,0,0,0,0,2|1,0,0]=3 3345 B11R0.6 CC(C)CCNC(C)CC(C)C 269862a_100000692259_100000185833 [0,0,0,0,0,2|1,0,0]=3 3346 B11R0.6 CC(C)CCNC(C)CN(C)C 269862a_100016992788_100000185833 [0,0,0,0,0,2|2,0,0]=4 3347 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000210254_100000731052 [0,0,0,0,0,2|1,0,0]=3 3348 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000211805_100000210312 [0,0,0,0,0,2|1,0,0]=3 3349 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000210254_100000731052 [0,0,0,0,0,2|1,0,0]=3 3350 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000211805_100000210626 [0,0,0,0,0,2|1,0,0]=3 3351 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000210312_100000731052 [0,0,0,0,0,2|1,0,0]=3 3352 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000731052_100000210312 [0,0,0,0,0,2|1,0,0]=3 3353 B11R0.6 CC(C)CCSC(C)CN(C)C 62a_100000210312_100020606517 [0,0,0,0,0,2|2,0,0]=4 3354 B11R0.6 CC(C)CCSC(C)CN(C)C 62a_100020606517_100000210312 [0,0,0,0,0,2|2,0,0]=4 3355 B11R0.6 CC(C)CN(C)CCOC(C)C 2230a_100000747067_100000211751 [0,0,0,0,0,2|2,0,0]=4 3356 B11R0.6 CC(C)CN(C)CCOC(C)C 269982a_100000747067_100000211751 [0,0,0,0,0,2|2,0,0]=4 3357 B11R0.6 CC(C)CN(C)CCSC(C)C 2230a_100000747067_100000730970 [0,0,0,0,0,2|2,0,0]=4 3358 B11R0.6 CC(C)CN(C)CCSC(C)C 269982a_100000747067_100000730970 [0,0,0,0,0,2|2,0,0]=4 3359 B11R0.6 CC(C)CNCC(C)CN(C)C 2230a_100000210953_100015348159 [0,0,0,0,0,2|2,0,0]=4 3360 B11R0.6 CC(C)CNNC(=O)CC(C)C 22a_100000696102_100000210554 [0,0,0,0,0,2|0,0,2]=4 3361 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,0,0,0,0,2|0,0,2]=4 3362 B11R0.6 CC(C)COC[C@@H](N)CC(C)C 34a_100011830311_100000210624 [0,0,0,0,0,2|1,0,0]=3 3363 B11R0.6 CC(C)CSCC(C)CN(C)C 62a_100000210624_100015348159 [0,0,0,0,0,2|2,0,0]=4 3364 B11R0.6 CC(C)CSCC(C)CN(C)C 62a_100015348159_100000210760 [0,0,0,0,0,2|2,0,0]=4 3365 B11R0.6 CC(C)C[C@H](N)CCOC(C)C 34a_100161151251_100000210206 [0,0,0,0,0,2|1,0,0]=3 3366 B11R0.6 CC(C)C[C@H](N)COCC(C)O 34a_100011830311_100011218427 [0,0,0,0,0,2|2,0,0]=4 3367 B11R0.6 CC(C)C[C@H](N)COC[C@@H](C)O 34a_100011830311_100009817552 [0,0,0,0,0,2|2,0,0]=4 3368 B11R0.6 CC(C)OCSC(C)CN(C)C 62a_100000709892_100020606517 [0,0,0,0,0,2|2,0,0]=4 3369 B11R0.6 CC(C)OCSC(C)CN(C)C 62a_100020606517_100000709892 [0,0,0,0,0,2|2,0,0]=4 3370 B11R0.85 CC(=O)OCC(O)CNC(C)C 34a_100138425928_200000139349 [0,0,0,0,0,2|1,0,1]=4 3371 B11R0.85 CC(=O)OCC(O)COC(C)C 34a_100000212225_200000139349 [0,0,0,0,0,2|1,0,1]=4 3372 B11R0.85 CC(=O)OCC(O)CSC(C)C 62a_100000210206_200000139349 [0,0,0,0,0,2|1,0,1]=4 3373 B11R0.85 CC(=O)OCC(O)CSC(C)C 62a_200000139349_100000210206 [0,0,0,0,0,2|1,0,1]=4 3374 B11R0.85 CC(C)CCC(=O)CCC(C)C 1458a_100000181311_100000210312 [0,0,0,0,0,2|0,0,2]=4 3375 B11R0.85 CC(C)CCC(=O)COC(C)C 1458a_100000745533_100000210312 [0,0,0,0,0,2|0,0,2]=4 3376 B11R0.85 CC(C)CCC(=O)CSC(C)C 1458a_100000241585_100000210312 [0,0,0,0,0,2|0,0,2]=4 3377 B11R0.85 CC(C)CCC(=O)NCC(C)C 11a_100000210953_100000181311 [0,0,0,0,0,2|0,0,2]=4 3378 B11R0.85 CC(C)CCC(=O)NCC(C)C 1626a_100000210953_100000181311 [0,0,0,0,0,2|0,0,2]=4 3379 B11R0.85 CC(C)CCC(=O)NCC(C)C 240690a_100000210953_100000181311 [0,0,0,0,0,2|0,0,2]=4 3380 B11R0.85 CC(C)CCC(=O)NCC(C)C 527a_100000210953_100000181311 [0,0,0,0,0,2|0,0,2]=4 3381 B11R0.85 CC(C)CCC(C)NCC(C)C 2230a_100000210953_100011261404 [0,0,0,0,0,2|1,0,0]=3 3382 B11R0.85 CC(C)CCC(C)NCC(C)C 2230a_100138410893_100000210760 [0,0,0,0,0,2|1,0,0]=3 3383 B11R0.85 CC(C)CCC(C)NCC(C)C 270004a_100000210953_100000210476 [0,0,0,0,0,2|1,0,0]=3 3384 B11R0.85 CC(C)CCC(C)NCC(C)C 270004a_100138410893_100000210432 [0,0,0,0,0,2|1,0,0]=3 3385 B11R0.85 CC(C)CCC(C)NCC(C)C 34a_100000210953_100011261404 [0,0,0,0,0,2|1,0,0]=3 3386 B11R0.85 CC(C)CCC(C)NCC(C)O 2230a_100000210904_100011261404 [0,0,0,0,0,2|2,0,0]=4 3387 B11R0.85 CC(C)CCC(C)NCC(C)O 2230a_100138410893_100011218427 [0,0,0,0,0,2|2,0,0]=4 3388 B11R0.85 CC(C)CCC(C)NCC(C)O 270004a_100000210904_100000210476 [0,0,0,0,0,2|2,0,0]=4 3389 B11R0.85 CC(C)CCC(C)NCC(C)O 34a_100000210904_100011261404 [0,0,0,0,0,2|2,0,0]=4 3390 B11R0.85 CC(C)CCC(C)NC[C@@H](C)O 2230a_100138410893_100009817552 [0,0,0,0,0,2|2,0,0]=4 3391 B11R0.85 CC(C)CCC(C)OCC(C)Br 34a_100012180447_100011261404 [0,0,0,0,0,2|2,0,0]=4 3392 B11R0.85 CC(C)CCC(C)OCC(C)C 34a_100000210257_100011261404 [0,0,0,0,0,2|1,0,0]=3 3393 B11R0.85 CC(C)CCC(C)OCC(C)C 34a_100011215350_100000210624 [0,0,0,0,0,2|1,0,0]=3 3394 B11R0.85 CC(C)CCC(C)OCC(C)C 7a_100011215350_100000210760 [0,0,0,0,0,2|1,0,0]=3 3395 B11R0.85 CC(C)CCC(C)OCC(C)F 34a_100015925927_100011261404 [0,0,0,0,0,2|2,0,0]=4 3396 B11R0.85 CC(C)CCC(C)OCC(C)O 34a_100011215350_100011218427 [0,0,0,0,0,2|2,0,0]=4 3397 B11R0.85 CC(C)CCC(C)OCC(C)O 7a_100011215350_100011218427 [0,0,0,0,0,2|2,0,0]=4 3398 B11R0.85 CC(C)CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011261404 [0,0,0,0,0,2|2,0,0]=4 3399 B11R0.85 CC(C)CCC(C)OC[C@@H](C)N 34a_100000737577_100011261404 [0,0,0,0,0,2|2,0,0]=4 3400 B11R0.85 CC(C)CCC(C)OC[C@@H](C)O 34a_100011215350_100009817552 [0,0,0,0,0,2|2,0,0]=4 3401 B11R0.85 CC(C)CCC(C)OC[C@@H](C)O 7a_100011215350_100009817552 [0,0,0,0,0,2|2,0,0]=4 3402 B11R0.85 CC(C)CCC(C)SCC(C)C 62a_100000210624_100011261404 [0,0,0,0,0,2|1,0,0]=3 3403 B11R0.85 CC(C)CCC(C)SCC(C)C 62a_100011261404_100000210760 [0,0,0,0,0,2|1,0,0]=3 3404 B11R0.85 CC(C)CCC(C)SCC(C)O 62a_100011218427_100011261404 [0,0,0,0,0,2|2,0,0]=4 3405 B11R0.85 CC(C)CCC(C)SCC(C)O 62a_100011261404_100011218427 [0,0,0,0,0,2|2,0,0]=4 3406 B11R0.85 CC(C)CCC(C)SC[C@@H](C)O 62a_100009817552_100011261404 [0,0,0,0,0,2|2,0,0]=4 3407 B11R0.85 CC(C)CCC(C)SC[C@@H](C)O 62a_100011261404_100009817552 [0,0,0,0,0,2|2,0,0]=4 3408 B11R0.85 CC(C)CCN(C)CCC(C)C 2230a_100000207472_200000210301 [0,0,0,0,0,2|2,0,0]=4 3409 B11R0.85 CC(C)CCN(C)CCC(C)C 2230a_100000742789_100000210312 [0,0,0,0,0,2|2,0,0]=4 3410 B11R0.85 CC(C)CCN(C)CCC(C)C 269982a_100000207472_200000210301 [0,0,0,0,0,2|2,0,0]=4 3411 B11R0.85 CC(C)CCN(C)CCC(C)C 269982a_100000742789_100000210312 [0,0,0,0,0,2|2,0,0]=4 3412 B11R0.85 CC(C)CCN(C)COC(C)C 2230a_100000742789_100000709892 [0,0,0,0,0,2|2,0,0]=4 3413 B11R0.85 CC(C)CCN(C)COC(C)C 269982a_100000742789_100000709892 [0,0,0,0,0,2|2,0,0]=4 3414 B11R0.85 CC(C)CCN([13CH3])CCC(C)C 2230a_100000207472_200025704644 [0,0,0,0,0,2|2,0,0]=4 3415 B11R0.85 CC(C)CCN([13CH3])CCC(C)C 269982a_100000207472_200025704644 [0,0,0,0,0,2|2,0,0]=4 3416 B11R0.85 CC(C)CNC(=O)CNC(C)C 2230a_100138425928_100000183291 [0,0,0,0,0,2|0,0,2]=4 3417 B11R0.85 CC(C)CNC(=O)CNC(C)C 34a_100138425928_100000183291 [0,0,0,0,0,2|0,0,2]=4 3418 B11R0.85 CC(C)CNC(=O)COC(C)C 11a_100000210953_100000745533 [0,0,0,0,0,2|0,0,2]=4 3419 B11R0.85 CC(C)CNC(=O)COC(C)C 1626a_100000210953_100000745533 [0,0,0,0,0,2|0,0,2]=4 3420 B11R0.85 CC(C)CNC(=O)COC(C)C 240690a_100000210953_100000745533 [0,0,0,0,0,2|0,0,2]=4 3421 B11R0.85 CC(C)CNC(=O)COC(C)C 34a_100000212225_100000183291 [0,0,0,0,0,2|0,0,2]=4 3422 B11R0.85 CC(C)CNC(=O)COC(C)C 527a_100000210953_100000745533 [0,0,0,0,0,2|0,0,2]=4 3423 B11R0.85 CC(C)CNC(=O)CSC(C)C 11a_100000210953_100000241585 [0,0,0,0,0,2|0,0,2]=4 3424 B11R0.85 CC(C)CNC(=O)CSC(C)C 1626a_100000210953_100000241585 [0,0,0,0,0,2|0,0,2]=4 3425 B11R0.85 CC(C)CNC(=O)CSC(C)C 240690a_100000210953_100000241585 [0,0,0,0,0,2|0,0,2]=4 3426 B11R0.85 CC(C)CNC(=O)CSC(C)C 527a_100000210953_100000241585 [0,0,0,0,0,2|0,0,2]=4 3427 B11R0.85 CC(C)CNC(=O)CSC(C)C 62a_100000183291_100000210206 [0,0,0,0,0,2|0,0,2]=4 3428 B11R0.85 CC(C)CNC(=O)CSC(C)C 62a_100000210206_100000183291 [0,0,0,0,0,2|0,0,2]=4 3429 B11R0.85 CC(C)CNC(=O)NCC(C)C 2708a_100000210953_100000210953 [0,0,0,0,0,2|0,0,2]=4 3430 B11R0.85 CC(C)CNC(=O)NCC(C)C 273464a_100000210953_100000210953 [0,0,0,0,0,2|0,0,2]=4 3431 B11R0.85 CC(C)CNC(=O)NCC(C)C 512a_100000210953_100000210953 [0,0,0,0,0,2|0,0,2]=4