0 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.133 CC1(CCN(C1)CF)C 269982a_100000764714_100015361967 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.133 CCN1CCC(C1)(C)C 2230a_100000764714_100000210202 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.133 CCN1CCC(C1)(C)C 269982a_100000764714_100000204670 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.133 CNC1CCC(C1)(C)C 270004a_106832991635_100000759959 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.138 CC1CCC(N1C)(C)C 2230a_100015204717_200000210301 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.138 CC1CCC(N1C)(C)C 269982a_100015204717_200000210301 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.138 CC1CCC(N1C)(C)C 34a_100015204717_200000210301 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.138 CC1CCC(N1[13CH3])(C)C 2230a_100015204717_200025704644 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.138 CC1CCC(N1[13CH3])(C)C 269982a_100015204717_200025704644 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.138 CC1CCC(N1[13CH3])(C)C 34a_100015204717_200025704644 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.138 CC1N(CCC1(C)C)C 2230a_100102837566_200000210301 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.138 CC1N(CCC1(C)C)C 269982a_100102837566_200000210301 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.138 CC1N(CCC1(C)C)C 34a_100102837566_200000210301 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.138 CC1N(CCC1(C)C)[13CH3] 2230a_100102837566_200025704644 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.138 CC1N(CCC1(C)C)[13CH3] 269982a_100102837566_200025704644 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.138 CC1N(CCC1(C)C)[13CH3] 34a_100102837566_200025704644 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [0,0,1,0,0,0|2,0,1]=4 31 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [0,0,1,0,0,0|2,0,1]=4 32 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [0,0,1,0,0,0|2,0,1]=4 33 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,0,1,0,0,0|1,0,1]=3 34 B7R0.2 C#CC(C)SC(C)C 62a_200000035995_100000210206 [0,0,1,0,0,0|1,1,1]=4 35 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,0,1,0,0,0|1,0,1]=3 36 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,0,1,0,0,0|1,0,1]=3 37 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,0,1,0,0,0|1,0,1]=3 38 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,0,1,0,0,0|1,1,1]=4 39 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,1,0,0,0|2,0,1]=4 40 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,1,0,0,0|2,0,1]=4 41 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,1,0,0,0|2,0,1]=4 42 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,0,1,0,0,0|3,0,0]=4 44 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,0,1,0,0,0|3,0,0]=4 45 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,0,1,0,0,0|3,0,0]=4 46 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,0,1,0,0,0|3,0,0]=4 47 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,0,1,0,0,0|3,0,0]=4 48 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,0,1,0,0,0|2,0,1]=4 50 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,0,1,0,0,0|2,0,1]=4 51 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [0,0,1,0,0,0|2,0,1]=4 52 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [0,0,1,0,0,0|2,0,1]=4 53 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,0,1,0,0,0|1,0,0]=2 54 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,0,1,0,0,0|1,0,0]=2 55 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,0,1,0,0,0|1,0,0]=2 56 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,0,1,0,0,0|1,0,1]=3 57 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,0,1,0,0,0|1,0,0]=2 58 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,0,1,0,0,0|1,0,0]=2 59 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,0,1,0,0,0|1,0,0]=2 60 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,0,1,0,0,0|0,0,0]=1 61 B7R0.2 CC(C)SC(C)C#N 62a_100000210206_100000703298 [0,0,1,0,0,0|1,1,1]=4 62 B7R0.2 CC(C)SC(C)C#N 62a_100000703298_100000210206 [0,0,1,0,0,0|1,1,1]=4 63 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,0,1,0,0,0|0,1,0]=2 64 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,0,1,0,0,0|0,1,0]=2 65 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,0,1,0,0,0|0,1,0]=2 66 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,1,0,0,0|3,0,0]=4 67 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,1,0,0,0|3,0,0]=4 68 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,1,0,0,0|3,0,0]=4 69 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,1,0,0,0|3,0,0]=4 70 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,1,0,0,0|3,0,0]=4 72 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,1,0,0,0|3,0,0]=4 73 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,1,0,0,0|2,0,0]=3 74 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,1,0,0,0|2,0,0]=3 75 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,1,0,0,0|2,0,0]=3 76 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,1,0,0,0|1,0,0]=2 77 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,1,0,0,0|1,0,0]=2 78 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,1,0,0,0|1,1,0]=3 79 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,1,0,0,0|1,1,0]=3 80 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,0,1,0,0,0|3,0,0]=4 82 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,0,1,0,0,0|3,0,0]=4 83 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,0,1,0,0,0|3,0,0]=4 85 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,0,1,0,0,0|3,0,0]=4 86 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,1,0,0,0|3,0,0]=4 89 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,1,0,0,0|3,0,0]=4 90 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [0,0,1,0,0,0|3,0,0]=4 94 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [0,0,1,0,0,0|3,0,0]=4 95 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [0,0,1,0,0,0|3,0,0]=4 96 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,0,1,0,0,0|3,0,0]=4 98 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,0,1,0,0,0|3,0,0]=4 99 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,0,1,0,0,0|3,0,0]=4 100 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,0,1,0,0,0|3,0,0]=4 101 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,0,1,0,0,0|3,0,0]=4 102 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,0,1,0,0,0|2,1,0]=4 104 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,0,1,0,0,0|2,1,0]=4 105 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,0,1,0,0,0|3,0,0]=4 106 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,0,1,0,0,0|3,0,0]=4 107 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,0,1,0,0,0|2,0,0]=3 108 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,0,1,0,0,0|2,0,0]=3 109 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,1,0,0,0|1,0,1]=3 112 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,1,0,0,0|1,0,1]=3 113 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,1,0,0,0|1,1,1]=4 114 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,1,0,0,0|1,1,1]=4 115 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,1,0,0,0|1,0,2]=4 116 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,1,0,0,0|1,0,2]=4 117 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,1,0,0,0|1,0,2]=4 118 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,1,0,0,0|1,0,2]=4 119 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,1,0,0,0|0,0,2]=3 121 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,1,0,0,0|0,0,2]=3 122 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,1,0,0,0|0,1,2]=4 123 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,1,0,0,0|2,0,1]=4 124 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,1,0,0,0|2,0,1]=4 125 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,1,0,0,0|1,0,0]=2 127 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,1,0,0,0|1,0,2]=4 128 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,1,0,0,0|3,0,0]=4 129 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,1,0,0,0|3,0,0]=4 130 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,1,0,0,0|3,0,0]=4 131 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,1,0,0,0|3,0,0]=4 132 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,1,0,0,0|3,0,0]=4 133 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,1,0,0,0|3,0,0]=4 134 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,1,0,0,0|2,0,0]=3 136 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,1,0,0,0|2,0,0]=3 138 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,1,0,0,0|1,0,0]=2 139 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,1,0,0,0|1,0,0]=2 140 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,1,0,0,0|1,1,0]=3 141 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,1,0,0,0|1,1,0]=3 142 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,1,0,0,0|2,0,1]=4 143 B7R0.6 CC(C)NCC(F)F 2230a_100138425928_100011934356 [0,0,1,0,0,0|3,0,0]=4 144 B7R0.6 CC(C)NCC(F)F 34a_100000765723_100000210206 [0,0,1,0,0,0|3,0,0]=4 145 B7R0.6 CC(C)NCC(F)F 34a_100138425928_100011934356 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,1,0,0,0|1,0,0]=2 147 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,1,0,0,0|1,0,0]=2 148 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,1,0,0,0|1,0,2]=4 149 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,1,0,0,0|0,0,2]=3 150 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,1,0,0,0|1,0,2]=4 151 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,0,1,0,0,0|2,0,0]=3 152 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,0,1,0,0,0|2,0,0]=3 153 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,1,0,0,0|2,0,0]=3 154 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,1,0,0,0|2,0,0]=3 155 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,1,0,0,0|1,0,0]=2 156 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,1,0,0,0|1,0,0]=2 157 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,1,0,0,0|0,0,0]=1 158 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,1,0,0,0|2,0,1]=4 159 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,1,0,0,0|0,1,2]=4 160 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,0,1,0,0,0|2,1,0]=4 161 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,0,1,0,0,0|2,1,0]=4 162 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,1,0,0,0|0,1,0]=2 163 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,1,0,0,0|0,1,0]=2 164 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,1,0,0,0|1,0,0]=2 165 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,1,0,0,0|2,0,0]=3 166 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,1,0,0,0|2,0,0]=3 167 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,1,0,0,0|1,0,0]=2 168 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,1,0,0,0|1,0,0]=2 169 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,1,0,0,0|1,0,0]=2 170 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,1,0,0,0|1,0,0]=2 171 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,1,0,0,0|0,0,0]=1 172 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,1,0,0,0|0,1,0]=2 173 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,1,0,0,0|0,1,0]=2 174 B7R0.8 C#CCOC(C)(C)C 34a_100000210247_100000210625 [0,0,1,0,0,0|1,0,2]=4 175 B7R0.8 C#CCOC(C)(C)C 34a_100015890283_100000184674 [0,0,1,0,0,0|1,0,2]=4 176 B7R0.8 C#CCOC(C)(C)C 7a_100015890283_100000038162 [0,0,1,0,0,0|1,0,2]=4 177 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,0,1,0,0,0|1,0,2]=4 178 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,0,1,0,0,0|1,0,2]=4 179 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,0,1,0,0,0|1,0,2]=4 180 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [0,0,1,0,0,0|3,0,0]=4 181 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,0,1,0,0,0|3,0,0]=4 182 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,0,1,0,0,0|3,0,0]=4 183 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,0,1,0,0,0|3,0,0]=4 184 B7R0.8 CC(C)(C)NCCF 2230a_100000715429_100011217306 [0,0,1,0,0,0|3,0,0]=4 185 B7R0.8 CC(C)(C)NCCF 34a_100000724931_100000210625 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [0,0,1,0,0,0|3,0,0]=4 188 B7R0.8 CC(C)(C)OCC#N 7a_100015890283_100011215382 [0,0,1,0,0,0|2,0,1]=4 189 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,0,1,0,0,0|2,0,1]=4 190 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,0,1,0,0,0|2,0,1]=4 191 B7R0.8 CC(C)(C)OCCBr 34a_100000211926_100000210625 [0,0,1,0,0,0|2,0,0]=3 192 B7R0.8 CC(C)(C)OCCF 34a_100015890283_100011217306 [0,0,1,0,0,0|2,0,0]=3 193 B7R0.8 CC(C)(C)OCCF 7a_100015890283_100011217306 [0,0,1,0,0,0|2,0,0]=3 194 B7R0.8 CC(C)(C)OCCN 34a_100000210304_100000210625 [0,0,1,0,0,0|2,0,0]=3 195 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [0,0,1,0,0,0|2,0,0]=3 196 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [0,0,1,0,0,0|2,0,0]=3 197 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [0,0,1,0,0,0|2,1,0]=4 198 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [0,0,1,0,0,0|2,1,0]=4 199 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [0,0,1,0,0,0|2,1,0]=4 200 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [0,0,1,0,0,0|2,1,0]=4 201 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [0,0,1,0,0,0|3,0,0]=4 202 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,0,1,0,0,0|2,0,0]=3 203 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,0,1,0,0,0|2,0,0]=3 204 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [0,0,1,0,0,0|3,0,0]=4 205 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [0,0,1,0,0,0|3,0,0]=4 206 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [0,0,1,0,0,0|2,0,0]=3 207 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [0,0,1,0,0,0|1,0,0]=2 208 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [0,0,1,0,0,0|1,0,0]=2 209 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [0,0,1,0,0,0|1,0,0]=2 210 B7R0.8 CCCOC(F)(F)F 34a_100000210258_200103152311 [0,0,1,0,0,0|3,0,0]=4 211 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [0,0,1,0,0,0|1,1,0]=3 212 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [0,0,1,0,0,0|1,1,0]=3 213 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [0,0,1,0,0,0|3,0,0]=4 214 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [0,0,1,0,0,0|3,0,0]=4 215 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [0,0,1,0,0,0|3,0,0]=4 216 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,0,1,0,0,0|2,0,0]=3 217 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [0,0,1,0,0,0|3,0,0]=4 218 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [0,0,1,0,0,0|3,0,0]=4 219 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [0,0,1,0,0,0|3,0,0]=4 220 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,0,1,0,0,0|2,0,0]=3 221 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [0,0,1,0,0,0|3,0,0]=4 222 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [0,0,1,0,0,0|3,0,0]=4 223 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [0,0,1,0,0,0|3,0,0]=4 224 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [0,0,1,0,0,0|3,0,0]=4 225 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,0,1,0,0,0|2,0,0]=3 226 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,0,1,0,0,0|2,0,0]=3 227 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [0,0,1,0,0,0|3,0,0]=4 228 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [0,0,1,0,0,0|3,0,0]=4 229 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [0,0,1,0,0,0|3,0,0]=4 230 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [0,0,1,0,0,0|3,0,0]=4 231 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [0,0,1,0,0,0|3,0,0]=4 232 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,0,1,0,0,0|2,0,0]=3 233 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,0,1,0,0,0|2,0,0]=3 234 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,0,1,0,0,0|2,0,0]=3 235 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,0,1,0,0,0|3,0,0]=4 236 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,0,1,0,0,0|3,0,0]=4 237 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,0,1,0,0,0|2,0,0]=3 238 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [0,0,1,0,0,0|3,0,0]=4 239 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [0,0,1,0,0,0|2,1,0]=4 240 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [0,0,1,0,0,0|2,1,0]=4 241 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,0,1,0,0,0|3,0,0]=4 242 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,0,1,0,0,0|3,0,0]=4 243 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,0,1,0,0,0|2,0,0]=3 244 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,0,1,0,0,0|2,0,0]=3 245 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [0,0,1,0,0,0|3,0,0]=4 246 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [0,0,1,0,0,0|2,0,0]=3 247 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [0,0,1,0,0,0|2,1,0]=4 248 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [0,0,1,0,0,0|2,1,0]=4 249 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,0,1,0,0,0|2,0,1]=4 250 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,0,1,0,0,0|2,0,1]=4 251 B7R0.9 CC(C)NC(C)(C)C 2230a_100000715429_100000210206 [0,0,1,0,0,0|2,0,0]=3 252 B7R0.9 CC(C)NC(C)(C)C 34a_100138425928_100000210625 [0,0,1,0,0,0|2,0,0]=3 253 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,0,1,0,0,0|1,0,0]=2 254 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,0,1,0,0,0|1,0,0]=2 255 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,0,1,0,0,0|1,0,0]=2 256 B7R0.9 CC(C)OC(F)(F)F 34a_100000212225_200103152311 [0,0,1,0,0,0|3,0,0]=4 257 B7R0.9 CC(C)SC(C)(C)C 62a_100000210206_100000211941 [0,0,1,0,0,0|1,1,0]=3 258 B7R0.9 CC(C)SC(C)(C)C 62a_100000211941_100000210206 [0,0,1,0,0,0|1,1,0]=3 259 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,0,1,0,0,0|3,0,0]=4 260 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,0,1,0,0,0|3,0,0]=4 261 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,0,1,0,0,0|3,0,0]=4 262 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,0,1,0,0,0|2,0,0]=3 263 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,0,1,0,0,0|2,0,0]=3 264 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,0,1,0,0,0|3,0,0]=4 265 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,0,1,0,0,0|3,0,0]=4 266 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,0,1,0,0,0|2,0,0]=3 268 B7R0.11 C#CC(C)(C)NCC 34a_100000054563_100000210202 [0,0,1,0,0,0|2,0,1]=4 269 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,0,1,0,0,0|1,0,1]=3 270 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,0,1,0,0,0|1,0,1]=3 271 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,0,1,0,0,0|1,0,1]=3 272 B7R0.11 C#CC(C)(C)OCF 34a_100000189450_100015361967 [0,0,1,0,0,0|2,0,1]=4 273 B7R0.11 C#CC(C)(C)OCF 7a_100000189450_100015361967 [0,0,1,0,0,0|2,0,1]=4 274 B7R0.11 C#CC(C)(C)SCC 62a_100000038118_100000210202 [0,0,1,0,0,0|1,1,1]=4 275 B7R0.11 C#CC(C)(C)SCC 62a_100000210202_100000038118 [0,0,1,0,0,0|1,1,1]=4 276 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,0,1,0,0,0|1,0,1]=3 277 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,0,1,0,0,0|1,0,1]=3 278 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,0,1,0,0,0|2,0,1]=4 279 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,0,1,0,0,0|2,0,1]=4 280 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,0,1,0,0,0|1,0,2]=4 281 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,0,1,0,0,0|1,0,2]=4 282 B7R0.11 CC(C)(C#N)OCF 34a_200015195151_100015361967 [0,0,1,0,0,0|3,0,0]=4 283 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,0,1,0,0,0|2,0,0]=3 284 B7R0.11 CC(C)(CCl)OCF 7a_100000764493_100015361967 [0,0,1,0,0,0|3,0,0]=4 285 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,0,1,0,0,0|3,0,0]=4 286 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,0,1,0,0,0|3,0,0]=4 287 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,0,1,0,0,0|2,0,0]=3 288 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,0,1,0,0,0|2,1,0]=4 289 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,0,1,0,0,0|2,1,0]=4 290 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,0,1,0,0,0|1,0,0]=2 291 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,0,1,0,0,0|1,0,0]=2 292 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,0,1,0,0,0|2,0,0]=3 293 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,0,1,0,0,0|3,0,0]=4 294 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,0,1,0,0,0|2,0,0]=3 295 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,0,1,0,0,0|2,0,0]=3 296 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,0,1,0,0,0|1,0,0]=2 297 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,0,1,0,0,0|2,0,0]=3 298 B7R0.11 CCSC(C)(C)C#N 62a_100000210202_100011162410 [0,0,1,0,0,0|2,1,0]=4 299 B7R0.11 CCSC(C)(C)C#N 62a_100011162410_100000210202 [0,0,1,0,0,0|2,1,0]=4 300 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,0,1,0,0,0|1,1,0]=3 301 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,0,1,0,0,0|1,1,0]=3 302 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,0,1,0,0,0|3,0,0]=4 303 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,0,1,0,0,0|3,0,0]=4 304 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,0,1,0,0,0|3,0,0]=4 305 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,0,1,0,0,0|2,0,0]=3 306 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,0,1,0,0,0|2,0,0]=3 307 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,0,1,0,0,0|2,1,0]=4 308 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,0,1,0,0,0|2,0,0]=3 309 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,0,1,0,0,0|2,0,0]=3 310 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,0,1,0,0,0|2,0,0]=3 311 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,0,1,0,0,0|2,0,0]=3 312 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,0,1,0,0,0|2,0,0]=3 313 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,0,1,0,0,0|2,0,0]=3 314 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,0,1,0,0,0|3,0,0]=4 315 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,0,1,0,0,0|2,0,0]=3 316 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,0,1,0,0,0|3,0,0]=4 317 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,0,1,0,0,0|3,0,0]=4 318 B9R2.139 CN1CCC2(C1)CC2 2230a_100000697357_200000210301 [0,0,0,1,0,0|3,0,0]=4 319 B9R2.139 CN1CCC2(C1)CC2 269982a_100000697357_200000210301 [0,0,0,1,0,0|3,0,0]=4 320 B9R2.139 CN1CCC2(C1)CC2 34a_100000697357_200000210301 [0,0,0,1,0,0|3,0,0]=4 321 B9R2.139 [13CH3]N1CCC2(C1)CC2 2230a_100000697357_200025704644 [0,0,0,1,0,0|3,0,0]=4 322 B9R2.139 [13CH3]N1CCC2(C1)CC2 269982a_100000697357_200025704644 [0,0,0,1,0,0|3,0,0]=4 323 B9R2.139 [13CH3]N1CCC2(C1)CC2 34a_100000697357_200025704644 [0,0,0,1,0,0|3,0,0]=4 324 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [0,0,0,0,1,0|2,0,0]=3 325 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [0,0,0,0,1,0|2,0,0]=3 326 B7R1.16 CC1(CN(C1)[13CH3])F 2230a_100000696199_200025704644 [0,0,0,0,1,0|3,0,0]=4 327 B7R1.16 CC1(CN(C1)[13CH3])F 269982a_100000696199_200025704644 [0,0,0,0,1,0|3,0,0]=4 328 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [0,0,0,0,1,0|3,0,0]=4 329 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [0,0,0,0,1,0|3,0,0]=4 330 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [0,0,0,0,1,0|2,0,0]=3 331 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [0,0,0,0,1,0|2,0,0]=3 332 B7R1.16 CN1CC(C1)(C)F 2230a_100000696199_200000210301 [0,0,0,0,1,0|3,0,0]=4 333 B7R1.16 CN1CC(C1)(C)F 269982a_100000696199_200000210301 [0,0,0,0,1,0|3,0,0]=4 334 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [0,0,0,0,1,0|3,0,0]=4 335 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [0,0,0,0,1,0|3,0,0]=4 336 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [0,0,0,0,0,1|3,0,0]=4 337 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.66 CC1(CN(CCO1)[13CH3])C 2230a_100000738910_200025704644 [0,0,0,0,0,1|2,0,0]=3 344 B9R1.66 CC1(CN(CCO1)[13CH3])C 269982a_100000738910_200025704644 [0,0,0,0,0,1|2,0,0]=3 345 B9R1.66 CC1(CN(CCO1)[13CH3])C 34a_100000738910_200025704644 [0,0,0,0,0,1|2,0,0]=3 346 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.66 CN1CCOC(C1)(C)C 2230a_100000738910_200000210301 [0,0,0,0,0,1|2,0,0]=3 350 B9R1.66 CN1CCOC(C1)(C)C 269982a_100000738910_200000210301 [0,0,0,0,0,1|2,0,0]=3 351 B9R1.66 CN1CCOC(C1)(C)C 34a_100000738910_200000210301 [0,0,0,0,0,1|2,0,0]=3 352 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [1,0,1,0,0,0|1,0,1]=4 353 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [1,0,1,0,0,0|1,0,1]=4 355 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,1,0,0,0|1,0,1]=4 356 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,1,0,0,0|1,0,1]=4 357 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,1,0,0,0|1,0,1]=4 358 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [1,0,1,0,0,0|1,0,1]=4 359 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [1,0,1,0,0,0|1,0,1]=4 360 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,1,0,0,0|2,0,0]=4 361 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [1,0,1,0,0,0|2,0,0]=4 362 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [1,0,1,0,0,0|2,0,0]=4 364 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,1,0,0,0|2,0,0]=4 365 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,0,1,0,0,0|1,1,0]=4 366 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,1,0,0,0|2,0,0]=4 367 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,1,0,0,0|2,0,0]=4 368 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,1,0,0,0|2,0,0]=4 369 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,1,0,0,0|2,0,0]=4 370 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,1,0,0,0|2,0,0]=4 371 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,1,0,0,0|2,0,0]=4 372 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,1,0,0,0|2,0,0]=4 373 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,1,0,0,0|1,0,0]=3 374 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,1,0,0,0|1,0,0]=3 375 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,1,0,0,0|1,0,0]=3 376 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,1,0,0,0|1,0,0]=3 377 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,1,0,0,0|1,0,0]=3 378 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,1,0,0,0|1,1,0]=4 379 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,1,0,0,0|1,1,0]=4 380 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,1,0,0,0|1,1,0]=4 381 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,1,0,0,0|1,1,0]=4 382 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,1,0,0,0|2,0,0]=4 383 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,1,0,0,0|2,0,0]=4 384 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,1,0,0,0|1,0,0]=3 385 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,1,0,0,0|1,0,0]=3 386 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [1,0,1,0,0,0|1,0,1]=4 387 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,1,0,0,0|1,0,0]=3 388 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,1,0,0,0|1,0,0]=3 389 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,1,0,0,0|1,0,0]=3 390 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,1,0,0,0|1,0,0]=3 391 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,1,0,0,0|1,0,0]=3 392 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,1,0,0,0|0,0,0]=2 393 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,1,0,0,0|1,1,0]=4 394 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,1,0,0,0|1,1,0]=4 395 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,1,0,0,0|0,1,0]=3 396 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,1,0,0,0|0,1,0]=3 397 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,1,0,0,0|0,1,0]=3 398 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,1,0,0,0|0,1,0]=3 399 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,1,0,0,0|0,1,0]=3 400 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,1,0,0,0|2,0,0]=4 402 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,1,0,0,0|2,0,0]=4 403 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,1,0,0,0|2,0,0]=4 404 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,1,0,0,0|2,0,0]=4 405 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,1,0,0,0|2,0,0]=4 406 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,1,0,0,0|2,0,0]=4 407 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,1,0,0,0|2,0,0]=4 408 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [1,0,1,0,0,0|1,1,0]=4 409 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [1,0,1,0,0,0|1,1,0]=4 410 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,1,0,0,0|2,0,0]=4 411 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,1,0,0,0|2,0,0]=4 412 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,1,0,0,0|2,0,0]=4 413 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,1,0,0,0|2,0,0]=4 414 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,1,0,0,0|2,0,0]=4 415 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,1,0,0,0|2,0,0]=4 416 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,1,0,0,0|2,0,0]=4 417 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,1,0,0,0|2,0,0]=4 418 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,1,0,0,0|2,0,0]=4 419 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,1,0,0,0|2,0,0]=4 420 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,0,1,0,0,0|1,1,0]=4 421 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,0,1,0,0,0|1,1,0]=4 422 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,0,1,0,0,0|2,0,0]=4 423 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,0,1,0,0,0|2,0,0]=4 424 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,0,1,0,0,0|2,0,0]=4 425 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,0,1,0,0,0|2,0,0]=4 426 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,0,1,0,0,0|2,0,0]=4 427 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,0,1,0,0,0|2,0,0]=4 428 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,0,1,0,0,0|2,0,0]=4 429 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,0,1,0,0,0|1,0,0]=3 430 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,0,1,0,0,0|1,0,0]=3 431 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,0,1,0,0,0|0,0,0]=2 432 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [1,0,1,0,0,0|0,1,0]=3 433 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,1,0,0,0|2,0,0]=4 434 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,1,0,0,0|2,0,0]=4 435 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,1,0,0,0|2,0,0]=4 436 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,1,0,0,0|2,0,0]=4 437 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,1,0,0,0|2,0,0]=4 438 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,1,0,0,0|2,0,0]=4 439 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,1,0,0,0|2,0,0]=4 440 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,1,0,0,0|2,0,0]=4 441 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [1,0,1,0,0,0|0,0,2]=4 442 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [1,0,1,0,0,0|0,0,2]=4 443 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,1,0,0,0|1,0,1]=4 444 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,1,0,0,0|1,0,1]=4 445 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,1,0,0,0|0,0,2]=4 446 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,1,0,0,0|0,0,2]=4 447 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,0,1,0,0,0|2,0,0]=4 448 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,1,0,0,0|2,0,0]=4 449 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,1,0,0,0|2,0,0]=4 450 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,1,0,0,0|2,0,0]=4 451 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,1,0,0,0|2,0,0]=4 452 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,1,0,0,0|2,0,0]=4 453 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,0,1,0,0,0|2,0,0]=4 454 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,0,1,0,0,0|2,0,0]=4 455 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,0,1,0,0,0|2,0,0]=4 456 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,1,0,0,0|1,0,0]=3 457 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,1,0,0,0|1,0,0]=3 458 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,1,0,0,0|1,0,0]=3 459 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,1,0,0,0|1,0,0]=3 460 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,1,0,0,0|0,0,2]=4 461 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,1,0,0,0|1,0,0]=3 462 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,1,0,0,0|1,0,0]=3 463 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,1,0,0,0|1,0,0]=3 464 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,1,0,0,0|0,0,0]=2 465 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,1,0,0,0|1,0,0]=3 466 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,1,0,0,0|1,0,0]=3 467 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,1,0,0,0|1,1,0]=4 468 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,1,0,0,0|1,1,0]=4 469 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,1,0,0,0|0,1,0]=3 470 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,1,0,0,0|0,1,0]=3 471 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,0,1,0,0,0|2,0,0]=4 472 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,1,0,0,0|2,0,0]=4 473 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,1,0,0,0|2,0,0]=4 474 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,1,0,0,0|2,0,0]=4 475 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,0,1,0,0,0|2,0,0]=4 476 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [1,0,1,0,0,0|1,1,0]=4 477 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [1,0,1,0,0,0|1,1,0]=4 478 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,1,0,0,0|2,0,0]=4 479 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,1,0,0,0|2,0,0]=4 480 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,1,0,0,0|2,0,0]=4 481 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,1,0,0,0|2,0,0]=4 482 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,1,0,0,0|2,0,0]=4 483 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,1,0,0,0|2,0,0]=4 484 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,1,0,0,0|1,0,0]=3 485 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,1,0,0,0|1,0,0]=3 486 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,1,0,0,0|0,0,0]=2 487 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,1,0,0,0|0,0,0]=2 488 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,1,0,0,0|0,1,0]=3 489 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,1,0,0,0|0,1,0]=3 490 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,1,0,0,0|2,0,0]=4 491 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,1,0,0,0|2,0,0]=4 492 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,1,0,0,0|2,0,0]=4 493 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,1,0,0,0|2,0,0]=4 494 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,1,0,0,0|1,0,0]=3 495 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,1,0,0,0|1,0,0]=3 496 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,1,0,0,0|1,0,0]=3 497 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,1,0,0,0|1,0,0]=3 498 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|0,0,2]=4 499 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|0,0,2]=4 500 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|0,0,2]=4 501 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,1,0,0,0|1,0,0]=3 502 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,1,0,0,0|1,0,0]=3 503 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,1,0,0,0|1,0,0]=3 504 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,1,0,0,0|1,0,0]=3 505 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,1,0,0,0|0,0,0]=2 506 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,0,1,0,0,0|2,0,0]=4 507 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,0,1,0,0,0|2,0,0]=4 508 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,1,0,0,0|2,0,0]=4 509 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,1,0,0,0|1,0,0]=3 510 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,1,0,0,0|1,0,0]=3 511 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,1,0,0,0|0,0,0]=2 512 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,1,0,0,0|1,1,0]=4 513 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,1,0,0,0|1,1,0]=4 514 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,1,0,0,0|0,1,0]=3 515 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,1,0,0,0|0,1,0]=3 516 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,1,0,0,0|0,1,0]=3 517 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,1,0,0,0|0,1,0]=3 518 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,1,0,0,0|2,0,0]=4 519 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,1,0,0,0|2,0,0]=4 520 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,1,0,0,0|2,0,0]=4 521 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,1,0,0,0|2,0,0]=4 522 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,1,0,0,0|2,0,0]=4 523 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,1,0,0,0|2,0,0]=4 524 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,1,0,0,0|2,0,0]=4 525 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,1,0,0,0|2,0,0]=4 526 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,1,0,0,0|2,0,0]=4 527 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,1,0,0,0|2,0,0]=4 528 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,1,0,0,0|2,0,0]=4 529 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,1,0,0,0|2,0,0]=4 530 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,1,0,0,0|2,0,0]=4 531 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,1,0,0,0|2,0,0]=4 532 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,1,0,0,0|1,0,0]=3 533 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,1,0,0,0|1,0,0]=3 534 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,1,0,0,0|2,0,0]=4 535 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,1,0,0,0|2,0,0]=4 536 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,1,0,0,0|2,0,0]=4 537 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,1,0,0,0|2,0,0]=4 538 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,1,0,0,0|2,0,0]=4 539 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,1,0,0,0|1,0,0]=3 540 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,1,0,0,0|1,1,0]=4 541 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,1,0,0,0|1,1,0]=4 542 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,1,0,0,0|2,0,0]=4 543 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,1,0,0,0|2,0,0]=4 544 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,1,0,0,0|2,0,0]=4 545 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,1,0,0,0|2,0,0]=4 546 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,1,0,0,0|2,0,0]=4 547 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,1,0,0,0|2,0,0]=4 548 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,1,0,0,0|1,0,0]=3 549 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,1,0,0,0|1,0,0]=3 550 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,1,0,0,0|1,0,0]=3 551 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,1,0,0,0|1,1,0]=4 552 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,1,0,0,0|1,1,0]=4 553 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,0,1,0,0,0|2,0,0]=4 554 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,0,1,0,0,0|2,0,0]=4 555 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [1,0,1,0,0,0|1,1,0]=4 556 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [1,0,1,0,0,0|1,1,0]=4 557 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [1,0,1,0,0,0|2,0,0]=4 558 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [1,0,1,0,0,0|2,0,0]=4 559 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [1,0,1,0,0,0|2,0,0]=4 560 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [1,0,1,0,0,0|1,0,0]=3 561 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [1,0,1,0,0,0|1,0,0]=3 562 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [1,0,1,0,0,0|1,1,0]=4 563 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [1,0,1,0,0,0|1,1,0]=4 564 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [1,0,1,0,0,0|2,0,0]=4 565 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [1,0,1,0,0,0|2,0,0]=4 566 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [1,0,1,0,0,0|2,0,0]=4 567 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [1,0,1,0,0,0|2,0,0]=4 568 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [1,0,1,0,0,0|1,0,0]=3 569 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [1,0,1,0,0,0|1,0,0]=3 570 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [1,0,1,0,0,0|1,0,0]=3 571 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [1,0,1,0,0,0|1,0,0]=3 572 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [1,0,1,0,0,0|0,0,0]=2 573 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [1,0,1,0,0,0|0,0,0]=2 574 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [1,0,1,0,0,0|0,0,0]=2 575 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [1,0,1,0,0,0|0,1,0]=3 576 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [1,0,1,0,0,0|0,1,0]=3 577 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [1,0,1,0,0,0|2,0,0]=4 578 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [1,0,1,0,0,0|2,0,0]=4 579 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [1,0,1,0,0,0|2,0,0]=4 580 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [1,0,1,0,0,0|2,0,0]=4 581 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [1,0,1,0,0,0|2,0,0]=4 582 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [1,0,1,0,0,0|1,0,0]=3 583 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [1,0,1,0,0,0|1,0,0]=3 584 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [1,0,1,0,0,0|1,0,0]=3 585 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [1,0,1,0,0,0|2,0,0]=4 586 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [1,0,1,0,0,0|2,0,0]=4 587 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [1,0,1,0,0,0|2,0,0]=4 588 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [1,0,1,0,0,0|1,0,0]=3 589 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [1,0,1,0,0,0|2,0,0]=4 590 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [1,0,1,0,0,0|2,0,0]=4 591 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [1,0,1,0,0,0|2,0,0]=4 592 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [1,0,1,0,0,0|2,0,0]=4 593 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [1,0,1,0,0,0|1,0,0]=3 594 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [1,0,1,0,0,0|1,0,0]=3 595 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [1,0,1,0,0,0|0,0,2]=4 596 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [1,0,1,0,0,0|0,0,2]=4 597 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [1,0,1,0,0,0|0,0,2]=4 598 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [1,0,1,0,0,0|0,0,2]=4 599 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [1,0,1,0,0,0|0,0,2]=4 600 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,0,1,0,0,0|0,0,2]=4 601 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,0,1,0,0,0|0,0,2]=4 602 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,0,1,0,0,0|0,0,2]=4 603 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,0,1,0,0,0|0,0,2]=4 604 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [1,0,1,0,0,0|1,0,1]=4 605 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [1,0,1,0,0,0|1,0,0]=3 606 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,0,1,0,0,0|2,0,0]=4 607 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,0,1,0,0,0|1,0,0]=3 608 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,0,1,0,0,0|1,0,0]=3 609 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,0,1,0,0,0|1,0,0]=3 610 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,0,1,0,0,0|0,0,0]=2 611 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,0,1,0,0,0|0,0,0]=2 612 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,0,1,0,0,0|0,1,0]=3 613 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,0,1,0,0,0|0,1,0]=3 614 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,0,1,0,0,0|0,1,0]=3 615 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,0,1,0,0,0|0,1,0]=3 616 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,0,1,0,0,0|2,0,0]=4 617 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [1,0,1,0,0,0|1,0,1]=4 618 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [1,0,1,0,0,0|1,0,1]=4 619 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [1,0,1,0,0,0|1,0,0]=3 620 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,1,1,0,0,0|2,0,0]=4 621 B8R0.2 CC(C)N(C)C(C)CO 2230a_100000693034_100000210206 [0,1,1,0,0,0|1,0,0]=3 622 B8R0.2 CC(C)N(C)C(C)CO 269982a_100000693034_100000210206 [0,1,1,0,0,0|1,0,0]=3 623 B8R0.2 CC(C)N(C)[C@H](C)CO 269982a_200000211004_100016084084 [0,1,1,0,0,0|1,0,0]=3 624 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,1,1,0,0,0|2,0,0]=4 625 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,1,1,0,0,0|2,0,0]=4 626 B8R0.2 CCC(C)N(C)C(C)C 2230a_100000741768_100000210206 [0,1,1,0,0,0|2,0,0]=4 627 B8R0.2 CCC(C)N(C)C(C)C 269982a_100000741768_100000210206 [0,1,1,0,0,0|2,0,0]=4 628 B8R0.2 CCC(C)N(C)C(C)C 269982a_200000211004_100000758301 [0,1,1,0,0,0|2,0,0]=4 629 B8R0.5 C#CCC(C)OC(C)C 34a_100000685586_100000210206 [0,1,1,0,0,0|1,0,0]=3 630 B8R0.5 C#CCC(C)OC(C)C 7a_100000685586_100000210206 [0,1,1,0,0,0|1,0,0]=3 631 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,1,1,0,0,0|1,0,1]=4 632 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,1,1,0,0,0|1,0,0]=3 633 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,1,1,0,0,0|1,0,0]=3 634 B8R0.5 CC#CC(C)OC(C)C 34a_100011216543_100000210206 [0,1,1,0,0,0|1,0,1]=4 635 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,1,1,0,0,0|2,0,0]=4 636 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,1,1,0,0,0|2,0,0]=4 637 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,1,1,0,0,0|2,0,0]=4 638 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,1,1,0,0,0|2,0,0]=4 639 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,1,1,0,0,0|2,0,0]=4 640 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,1,1,0,0,0|2,0,0]=4 642 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,1,1,0,0,0|2,0,0]=4 643 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,1,1,0,0,0|2,0,0]=4 644 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,1,1,0,0,0|2,0,0]=4 645 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,1,1,0,0,0|2,0,0]=4 646 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,1,1,0,0,0|2,0,0]=4 647 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,1,1,0,0,0|2,0,0]=4 648 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,1,0,0,0|2,0,0]=4 649 B8R0.5 CC(C)NC(C)CC#N 2230a_100138425928_100009813641 [0,1,1,0,0,0|2,0,0]=4 650 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [0,1,1,0,0,0|1,0,0]=3 651 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [0,1,1,0,0,0|1,0,0]=3 652 B8R0.5 CC(C)N[C@@H](C)CC#N 2230a_100016994482_100000210206 [0,1,1,0,0,0|2,0,0]=4 653 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [0,1,1,0,0,0|1,0,0]=3 654 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [0,1,1,0,0,0|1,0,0]=3 655 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,1,1,0,0,0|1,0,0]=3 656 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,1,1,0,0,0|0,0,0]=2 657 B8R0.5 CC(C)SC(C)CC#N 62a_100000210206_100009813641 [0,1,1,0,0,0|1,1,0]=4 658 B8R0.5 CC(C)SC(C)CC#N 62a_100009813641_100000210206 [0,1,1,0,0,0|1,1,0]=4 659 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [0,1,1,0,0,0|0,1,0]=3 660 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [0,1,1,0,0,0|0,1,0]=3 661 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,1,1,0,0,0|2,0,0]=4 662 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,1,1,0,0,0|2,0,0]=4 663 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,1,1,0,0,0|2,0,0]=4 664 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,1,0,0,0|1,0,0]=3 665 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,1,0,0,0|1,0,0]=3 666 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,1,0,0,0|1,0,0]=3 667 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [0,1,1,0,0,0|1,1,0]=4 668 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [0,1,1,0,0,0|1,1,0]=4 669 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,1,0,0,0|2,0,0]=4 670 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,1,0,0,0|2,0,0]=4 671 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,1,0,0,0|2,0,0]=4 672 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,1,0,0,0|2,0,0]=4 673 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,1,0,0,0|2,0,0]=4 674 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,1,0,0,0|2,0,0]=4 675 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,1,0,0,0|2,0,0]=4 676 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,1,0,0,0|1,0,1]=4 677 B8R0.5 COCC(C)NC(C)C 2230a_100138425928_100000765312 [0,1,1,0,0,0|1,0,0]=3 678 B8R0.5 COCC(C)NC(C)C 34a_100138425928_100000765312 [0,1,1,0,0,0|1,0,0]=3 679 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,1,0,0,0|0,0,0]=2 680 B8R0.5 COCC(C)SC(C)C 62a_100000210206_100000765312 [0,1,1,0,0,0|0,1,0]=3 681 B8R0.5 COCC(C)SC(C)C 62a_100000765312_100000210206 [0,1,1,0,0,0|0,1,0]=3 682 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [0,1,1,0,0,0|2,0,0]=4 683 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [0,1,1,0,0,0|2,0,0]=4 684 B8R0.5 COC[C@@H](C)NC(C)C 2230a_100000764878_100000210206 [0,1,1,0,0,0|1,0,0]=3 685 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,1,0,0,0|0,0,0]=2 686 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,1,0,0,0|2,0,0]=4 687 B8R0.16 C#CC(CC)OC(C)C 34a_100000758843_100000210206 [0,1,1,0,0,0|1,0,1]=4 688 B8R0.16 C#CC(CC)OC(C)C 7a_100000758843_100000210206 [0,1,1,0,0,0|1,0,1]=4 689 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,1,1,0,0,0|1,0,1]=4 690 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,1,1,0,0,0|1,0,1]=4 691 B8R0.16 C=C[C@@H](CO)NC(C)C 2230a_100016989147_100000210206 [0,1,1,0,0,0|1,0,1]=4 692 B8R0.16 C=C[C@@H](CO)NC(C)C 34a_100016989147_100000210206 [0,1,1,0,0,0|1,0,1]=4 693 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [0,1,1,0,0,0|1,0,0]=3 694 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [0,1,1,0,0,0|1,0,0]=3 695 B8R0.16 CC(C)NC(CO)CO 2230a_100000759517_100000210206 [0,1,1,0,0,0|1,0,0]=3 696 B8R0.16 CC(C)OC(CCl)CCl 7a_100000737055_100000210206 [0,1,1,0,0,0|1,0,0]=3 697 B8R0.16 CC(C)OC(CF)CF 34a_100000032261_100000210206 [0,1,1,0,0,0|1,0,0]=3 698 B8R0.16 CC(C)OC(CF)CF 7a_100000032261_100000210206 [0,1,1,0,0,0|1,0,0]=3 699 B8R0.16 CC(C)OC(CN)CN 34a_100000031598_100000210206 [0,1,1,0,0,0|1,0,0]=3 700 B8R0.16 CC(C)O[C@@H](CF)CCl 34a_100015614560_100000210206 [0,1,1,0,0,0|1,0,0]=3 701 B8R0.16 CC(C)O[C@@H](CF)CCl 7a_100015614560_100000210206 [0,1,1,0,0,0|1,0,0]=3 702 B8R0.16 CCC(CC)NC(C)C 2230a_100000199018_100000210206 [0,1,1,0,0,0|2,0,0]=4 703 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [0,1,1,0,0,0|1,0,0]=3 704 B8R0.16 CCC(CC)SC(C)C 62a_100000210206_100000210505 [0,1,1,0,0,0|1,1,0]=4 705 B8R0.16 CCC(CC)SC(C)C 62a_100000210505_100000210206 [0,1,1,0,0,0|1,1,0]=4 706 B8R0.16 CC[C@@H](CO)NC(C)C 2230a_100000709445_100000210206 [0,1,1,0,0,0|1,0,0]=3 707 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [0,1,1,0,0,0|1,0,0]=3 708 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [0,1,1,0,0,0|1,0,0]=3 709 B8R0.19 C#CC(C)NC(C)CO 2230a_100000707721_100012180447 [0,1,1,0,0,0|1,0,1]=4 710 B8R0.19 C#CC(C)NC(C)CO 34a_100000707721_100012180447 [0,1,1,0,0,0|1,0,1]=4 711 B8R0.19 C#CC(C)OC(C)CF 34a_100016041109_200000035995 [0,1,1,0,0,0|1,0,1]=4 712 B8R0.19 C#CC(C)OC(C)CN 34a_100000210904_200000035995 [0,1,1,0,0,0|1,0,1]=4 713 B8R0.19 C#CC(C)S[C@H](C)CO 62a_200000035995_100016084084 [0,1,1,0,0,0|0,1,1]=4 714 B8R0.19 C#C[C@@H](C)OC(C)CC 34a_100009815206_100011215416 [0,1,1,0,0,0|1,0,1]=4 715 B8R0.19 C#C[C@@H](C)OC(C)CC 7a_100009815206_100000758301 [0,1,1,0,0,0|1,0,1]=4 716 B8R0.19 C#C[C@@H](C)OC(C)CO 34a_100009815206_100012180447 [0,1,1,0,0,0|0,0,1]=3 717 B8R0.19 C#C[C@@H](C)OC(C)CO 7a_100009815206_100012180447 [0,1,1,0,0,0|0,0,1]=3 718 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,1,1,0,0,0|1,0,1]=4 719 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,1,1,0,0,0|0,0,1]=3 720 B8R0.19 C=CC(C)S[C@H](C)CO 62a_100011215867_100016084084 [0,1,1,0,0,0|0,1,1]=4 721 B8R0.19 CC(C#N)NC(C)CO 2230a_100000737613_100012180447 [0,1,1,0,0,0|1,0,1]=4 722 B8R0.19 CC(C#N)N[C@H](C)CO 2230a_100000737577_100000184139 [0,1,1,0,0,0|1,0,1]=4 723 B8R0.19 CC(C#N)OC(C)CF 7a_100016041109_100000703298 [0,1,1,0,0,0|1,0,1]=4 724 B8R0.19 CC(C#N)OC(C)CO 34a_100011218135_100012180447 [0,1,1,0,0,0|0,0,1]=3 725 B8R0.19 CC(C#N)SC(C)CO 62a_100012180447_100000703298 [0,1,1,0,0,0|0,1,1]=4 726 B8R0.19 CC(C#N)S[C@H](C)CO 62a_100000703298_100016084084 [0,1,1,0,0,0|0,1,1]=4 727 B8R0.19 CC(C#N)S[C@H](C)CO 62a_100016084084_100000703298 [0,1,1,0,0,0|0,1,1]=4 728 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,1,1,0,0,0|0,0,0]=2 729 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,1,1,0,0,0|1,0,0]=3 730 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,1,1,0,0,0|0,0,0]=2 731 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,1,1,0,0,0|0,0,0]=2 732 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,1,1,0,0,0|0,1,0]=3 733 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,1,0,0,0|2,0,0]=4 734 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,1,0,0,0|2,0,0]=4 735 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,1,0,0,0|2,0,0]=4 736 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,1,1,0,0,0|2,0,0]=4 737 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,1,1,0,0,0|1,0,0]=3 738 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,1,1,0,0,0|1,0,0]=3 739 B8R0.19 CCC(C)OC(C)C#N 34a_100011218135_100011215416 [0,1,1,0,0,0|1,0,1]=4 740 B8R0.19 CCC(C)OC(C)C#N 7a_100000210228_100000703298 [0,1,1,0,0,0|1,0,1]=4 741 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,1,1,0,0,0|1,0,0]=3 742 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,1,1,0,0,0|1,0,0]=3 743 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,1,1,0,0,0|1,0,0]=3 744 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,1,1,0,0,0|1,0,0]=3 745 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,1,0,0,0|0,0,0]=2 746 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,1,1,0,0,0|1,1,0]=4 747 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,1,1,0,0,0|0,1,0]=3 748 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,1,1,0,0,0|1,1,0]=4 749 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,1,1,0,0,0|1,1,0]=4 750 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,1,1,0,0,0|0,1,0]=3 751 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,1,1,0,0,0|0,1,0]=3 752 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,1,1,0,0,0|2,0,0]=4 753 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,1,1,0,0,0|2,0,0]=4 754 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,1,1,0,0,0|0,1,0]=3 755 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,1,1,0,0,0|0,1,0]=3 756 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,1,1,0,0,0|0,1,0]=3 757 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,1,1,0,0,0|0,1,0]=3 758 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,1,0,0,0|0,0,2]=4 759 B8R0.23 CC(C)NC(C)C(C)C 2230a_100000211541_100000210206 [0,1,1,0,0,0|2,0,0]=4 760 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,1,0,0,0|1,0,1]=4 761 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,1,0,0,0|0,0,2]=4 762 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,1,1,0,0,0|1,0,0]=3 763 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,1,0,0,0|0,0,2]=4 764 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,1,0,0,0|0,0,2]=4 765 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,1,0,0,0|0,0,2]=4 766 B8R0.24 C#CC(C)OC(C)(C)C 34a_100015890283_200000035995 [0,1,1,0,0,0|1,0,1]=4 767 B8R0.24 C#C[C@@H](C)OC(C)(C)C 34a_100009815206_100000210625 [0,1,1,0,0,0|1,0,1]=4 768 B8R0.24 C=CC(C)OC(C)(C)C 34a_100000695699_100000210625 [0,1,1,0,0,0|1,0,1]=4 769 B8R0.24 CC(C#N)OC(C)(C)C 34a_100011218135_100000210625 [0,1,1,0,0,0|1,0,1]=4 770 B8R0.24 CC(C#N)OC(C)(C)C 7a_100015890283_100000703298 [0,1,1,0,0,0|1,0,1]=4 771 B8R0.24 CC(CF)OC(C)(C)C 34a_100016041109_100000210625 [0,1,1,0,0,0|1,0,0]=3 772 B8R0.24 CC(CN)OC(C)(C)C 34a_100000210904_100000210625 [0,1,1,0,0,0|1,0,0]=3 773 B8R0.24 CC(CO)NC(C)(C)C 2230a_100000715429_100012180447 [0,1,1,0,0,0|1,0,0]=3 774 B8R0.24 CC(CO)OC(C)(C)C 34a_100015890283_100012180447 [0,1,1,0,0,0|0,0,0]=2 775 B8R0.24 CC(CO)OC(C)(C)C 7a_100015890283_100012180447 [0,1,1,0,0,0|0,0,0]=2 776 B8R0.24 CC(CO)SC(C)(C)C 62a_100012180447_100000211941 [0,1,1,0,0,0|0,1,0]=3 777 B8R0.24 CCC(C)NC(C)(C)C 2230a_100000715429_100000758301 [0,1,1,0,0,0|2,0,0]=4 778 B8R0.24 CCC(C)OC(C)(C)C 34a_100015890283_100011215416 [0,1,1,0,0,0|1,0,0]=3 779 B8R0.24 CCC(C)OC(C)(C)C 7a_100015890283_100000758301 [0,1,1,0,0,0|1,0,0]=3 780 B8R0.24 CCC(C)SC(C)(C)C 62a_100000211941_100000758301 [0,1,1,0,0,0|1,1,0]=4 781 B8R0.24 CCC(C)SC(C)(C)C 62a_100000758301_100000211941 [0,1,1,0,0,0|1,1,0]=4 782 B8R0.24 C[C@H](CO)SC(C)(C)C 62a_100000211941_100016084084 [0,1,1,0,0,0|0,1,0]=3 783 B8R0.24 C[C@H](CO)SC(C)(C)C 62a_100016084084_100000211941 [0,1,1,0,0,0|0,1,0]=3 784 B8R0.34 C#CC(C)(C)OC(C)C 34a_100000189450_100000210206 [0,1,1,0,0,0|1,0,1]=4 785 B8R0.34 C#CC(C)(C)OC(C)C 34a_100000212225_100000038118 [0,1,1,0,0,0|1,0,1]=4 786 B8R0.34 C#CC(C)(C)OC(C)C 7a_100000189450_100000210206 [0,1,1,0,0,0|1,0,1]=4 787 B8R0.34 C=CC(C)(C)OC(C)C 34a_100011215311_100000210206 [0,1,1,0,0,0|1,0,1]=4 788 B8R0.34 C=CC(C)(C)OC(C)C 7a_100011215311_100000210206 [0,1,1,0,0,0|1,0,1]=4 789 B8R0.34 CC(C)NC(C)(C)CO 2230a_100000210608_100000210206 [0,1,1,0,0,0|1,0,0]=3 790 B8R0.34 CC(C)OC(C)(C)C#N 34a_100000212225_100011162410 [0,1,1,0,0,0|1,0,1]=4 791 B8R0.34 CC(C)OC(C)(C)C#N 34a_200015195151_100000210206 [0,1,1,0,0,0|1,0,1]=4 792 B8R0.34 CC(C)OC(C)(C)CCl 7a_100000764493_100000210206 [0,1,1,0,0,0|1,0,0]=3 793 B8R0.34 CC(C)SC(F)(F)CO 62a_100000210206_100011217949 [0,1,1,0,0,0|1,1,0]=4 794 B8R0.34 CC(C)SC(F)(F)CO 62a_100011217949_100000210206 [0,1,1,0,0,0|1,1,0]=4 795 B8R0.34 CCC(C)(C)NC(C)C 2230a_100000211385_100000210206 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.34 CCC(C)(C)OC(C)C 7a_100000210230_100000210206 [0,1,1,0,0,0|1,0,0]=3 797 B8R0.34 CCC(C)(C)SC(C)C 62a_100000032637_100000210206 [0,1,1,0,0,0|1,1,0]=4 798 B8R0.34 CCC(C)(C)SC(C)C 62a_100000210206_100000032637 [0,1,1,0,0,0|1,1,0]=4 799 B8R0.34 CN(C)CC(C)(C)CO 2230a_100000732702_200000210301 [0,1,1,0,0,0|2,0,0]=4 800 B8R0.34 CN(C)CC(C)(C)CO 269982a_100000732702_200000210301 [0,1,1,0,0,0|2,0,0]=4 801 B8R0.34 CN([13CH3])CC(C)(C)CO 2230a_100000732702_200025704644 [0,1,1,0,0,0|2,0,0]=4 802 B8R0.34 CN([13CH3])CC(C)(C)CO 269982a_100000732702_200025704644 [0,1,1,0,0,0|2,0,0]=4 803 B8R0.9 C#CC(C)NCC(C)O 2230a_100000707721_100011218427 [0,1,1,0,0,0|1,0,1]=4 804 B8R0.9 C#CC(C)NCC(C)O 34a_100000210904_200000035995 [0,1,1,0,0,0|1,0,1]=4 805 B8R0.9 C#CC(C)NCC(C)O 34a_100000707721_100011218427 [0,1,1,0,0,0|1,0,1]=4 806 B8R0.9 C#CC(C)NC[C@@H](C)O 2230a_100000707721_100009817552 [0,1,1,0,0,0|1,0,1]=4 807 B8R0.9 C#CC(C)NC[C@@H](C)O 34a_100000707721_100009817552 [0,1,1,0,0,0|1,0,1]=4 808 B8R0.9 C#CC(C)OCC(C)Br 34a_100012180447_200000035995 [0,1,1,0,0,0|1,0,1]=4 809 B8R0.9 C#CC(C)OCC(C)C 34a_100000210257_200000035995 [0,1,1,0,0,0|1,0,1]=4 810 B8R0.9 C#CC(C)OCC(C)F 34a_100015925927_200000035995 [0,1,1,0,0,0|1,0,1]=4 811 B8R0.9 C#CC(C)OC[C@@H](C)Cl 34a_100016084084_200000035995 [0,1,1,0,0,0|1,0,1]=4 812 B8R0.9 C#CC(C)OC[C@@H](C)N 34a_100000737577_200000035995 [0,1,1,0,0,0|1,0,1]=4 813 B8R0.9 C#CC(C)SCC(C)O 62a_200000035995_100011218427 [0,1,1,0,0,0|0,1,1]=4 814 B8R0.9 C#CC(C)SC[C@@H](C)O 62a_200000035995_100009817552 [0,1,1,0,0,0|0,1,1]=4 815 B8R0.9 C#C[C@@H](C)OCC(C)C 34a_100009815206_100000210624 [0,1,1,0,0,0|1,0,1]=4 816 B8R0.9 C#C[C@@H](C)OCC(C)C 7a_100009815206_100000210760 [0,1,1,0,0,0|1,0,1]=4 817 B8R0.9 C#C[C@@H](C)OCC(C)O 34a_100009815206_100011218427 [0,1,1,0,0,0|0,0,1]=3 818 B8R0.9 C#C[C@@H](C)OCC(C)O 7a_100009815206_100011218427 [0,1,1,0,0,0|0,0,1]=3 819 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 34a_100009815206_100009817552 [0,1,1,0,0,0|0,0,1]=3 820 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 7a_100009815206_100009817552 [0,1,1,0,0,0|0,0,1]=3 821 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,1,0,0,0|1,0,1]=4 822 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,1,0,0,0|1,0,1]=4 823 B8R0.9 C=C(C)COC(C)CF 34a_100016041109_100000748629 [0,1,1,0,0,0|1,0,1]=4 824 B8R0.9 C=C(C)COC(C)CF 7a_100016041109_100000748629 [0,1,1,0,0,0|1,0,1]=4 825 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,1,1,0,0,0|1,0,1]=4 826 B8R0.9 C=C(C)COC(C)CO 34a_100000210245_100012180447 [0,1,1,0,0,0|1,0,1]=4 827 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,1,1,0,0,0|1,0,0]=3 828 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,1,1,0,0,0|1,0,0]=3 829 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,1,1,0,0,0|1,0,1]=4 830 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [0,1,1,0,0,0|0,0,1]=3 831 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [0,1,1,0,0,0|0,0,1]=3 832 B8R0.9 C=CC(C)SCC(C)O 62a_100011215867_100011218427 [0,1,1,0,0,0|0,1,1]=4 833 B8R0.9 C=CC(C)SC[C@@H](C)O 62a_100011215867_100009817552 [0,1,1,0,0,0|0,1,1]=4 834 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [0,1,1,0,0,0|1,0,1]=4 835 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [0,1,1,0,0,0|1,0,1]=4 836 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,1,1,0,0,0|0,0,1]=3 837 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,1,1,0,0,0|0,1,1]=4 838 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,1,1,0,0,0|0,1,1]=4 839 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [0,1,1,0,0,0|1,0,1]=4 840 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,1,0,0,0|0,0,2]=4 841 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,1,1,0,0,0|1,0,0]=3 842 B8R0.9 CC(C#N)NC[C@@H](C)O 2230a_100000737613_100009817552 [0,1,1,0,0,0|1,0,1]=4 843 B8R0.9 CC(C#N)OC[C@@H](C)O 34a_100011218135_100009817552 [0,1,1,0,0,0|0,0,1]=3 844 B8R0.9 CC(C#N)SC[C@@H](C)O 62a_100000703298_100009817552 [0,1,1,0,0,0|0,1,1]=4 845 B8R0.9 CC(C#N)SC[C@@H](C)O 62a_100009817552_100000703298 [0,1,1,0,0,0|0,1,1]=4 846 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,1,0,0,0|2,0,0]=4 847 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,1,0,0,0|1,0,0]=3 848 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,1,0,0,0|1,0,0]=3 849 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,1,0,0,0|1,1,0]=4 850 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,1,0,0,0|1,1,0]=4 851 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,1,1,0,0,0|2,0,0]=4 852 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,1,1,0,0,0|2,0,0]=4 853 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,1,1,0,0,0|2,0,0]=4 854 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,1,1,0,0,0|2,0,0]=4 855 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,1,1,0,0,0|2,0,0]=4 856 B8R0.9 CC(C)COC(C)C#N 34a_100011218135_100000210624 [0,1,1,0,0,0|1,0,1]=4 857 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,1,1,0,0,0|1,0,0]=3 858 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,1,1,0,0,0|1,0,0]=3 859 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,1,1,0,0,0|1,0,0]=3 860 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,1,1,0,0,0|1,0,0]=3 861 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,1,1,0,0,0|1,1,0]=4 862 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,1,1,0,0,0|1,1,0]=4 863 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,1,1,0,0,0|1,1,0]=4 864 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [0,1,1,0,0,0|1,0,0]=3 865 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [0,1,1,0,0,0|1,0,0]=3 866 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,1,1,0,0,0|1,0,0]=3 867 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,1,1,0,0,0|1,0,0]=3 868 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [0,1,1,0,0,0|2,0,0]=4 869 B8R0.9 CC(C)NC[C@@H](O)CF 2230a_100138425928_100015614560 [0,1,1,0,0,0|1,0,0]=3 870 B8R0.9 CC(C)NC[C@@H](O)CF 34a_100138425928_100015614560 [0,1,1,0,0,0|1,0,0]=3 871 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [0,1,1,0,0,0|1,0,0]=3 872 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [0,1,1,0,0,0|1,0,0]=3 873 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [0,1,1,0,0,0|1,0,0]=3 874 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,1,0,0,0|0,0,2]=4 875 B8R0.9 CC(C)OCC(Cl)CCl 34a_100000033668_100000210206 [0,1,1,0,0,0|1,0,0]=3 876 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [0,1,1,0,0,0|0,0,0]=2 877 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,1,1,0,0,0|0,0,0]=2 878 B8R0.9 CC(C)OC[C@@H](O)CF 34a_100000212225_100015614560 [0,1,1,0,0,0|0,0,0]=2 879 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [0,1,1,0,0,0|0,0,0]=2 880 B8R0.9 CC(C)OC[C@H](F)CN 34a_100015665980_100000210206 [0,1,1,0,0,0|1,0,0]=3 881 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [0,1,1,0,0,0|0,1,0]=3 882 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [0,1,1,0,0,0|0,1,0]=3 883 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,1,1,0,0,0|0,1,0]=3 884 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,1,1,0,0,0|0,1,0]=3 885 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100000210206_100015614560 [0,1,1,0,0,0|0,1,0]=3 886 B8R0.9 CC(C)SC[C@@H](O)CF 62a_100015614560_100000210206 [0,1,1,0,0,0|0,1,0]=3 887 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [0,1,1,0,0,0|0,1,0]=3 888 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [0,1,1,0,0,0|0,1,0]=3 889 B8R0.9 CC(CF)OCC(F)F 34a_100016041109_100011934356 [0,1,1,0,0,0|2,0,0]=4 890 B8R0.9 CC(CF)OCC(F)F 7a_100016041109_100011934356 [0,1,1,0,0,0|2,0,0]=4 891 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,1,1,0,0,0|0,0,0]=2 892 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,1,1,0,0,0|0,0,0]=2 893 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,1,1,0,0,0|1,0,0]=3 894 B8R0.9 CC(CN)OCC(F)F 34a_100000210904_100011934356 [0,1,1,0,0,0|2,0,0]=4 895 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,1,1,0,0,0|0,0,0]=2 896 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,1,1,0,0,0|1,0,0]=3 897 B8R0.9 CC(CO)OCC(F)F 34a_100000743014_100012180447 [0,1,1,0,0,0|2,0,0]=4 898 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,1,1,0,0,0|1,0,0]=3 899 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,1,1,0,0,0|1,0,0]=3 900 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,1,1,0,0,0|0,1,0]=3 901 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,1,1,0,0,0|1,0,0]=3 902 B8R0.9 CC(O)CNC(C)C#N 2230a_100000210904_100000184139 [0,1,1,0,0,0|1,0,1]=4 903 B8R0.9 CC(O)CNC(C)C#N 2230a_100000737613_100011218427 [0,1,1,0,0,0|1,0,1]=4 904 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,1,1,0,0,0|1,0,0]=3 905 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,1,1,0,0,0|1,0,0]=3 906 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,1,1,0,0,0|1,0,0]=3 907 B8R0.9 CC(O)COC(C)C#N 34a_100011218135_100011218427 [0,1,1,0,0,0|0,0,1]=3 908 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,1,1,0,0,0|0,0,0]=2 909 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,1,1,0,0,0|0,0,0]=2 910 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,1,1,0,0,0|0,0,0]=2 911 B8R0.9 CC(O)CSC(C)C#N 62a_100000703298_100011218427 [0,1,1,0,0,0|0,1,1]=4 912 B8R0.9 CC(O)CSC(C)C#N 62a_100011218427_100000703298 [0,1,1,0,0,0|0,1,1]=4 913 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,1,1,0,0,0|0,1,0]=3 914 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,1,1,0,0,0|0,1,0]=3 915 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,1,1,0,0,0|0,1,0]=3 916 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,1,0,0,0|0,0,2]=4 917 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,1,0,0,0|0,0,2]=4 918 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,1,1,0,0,0|2,0,0]=4 919 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,1,1,0,0,0|2,0,0]=4 920 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,1,1,0,0,0|2,0,0]=4 921 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,1,1,0,0,0|1,0,0]=3 922 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,1,1,0,0,0|1,1,0]=4 923 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,1,1,0,0,0|1,1,0]=4 924 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,1,1,0,0,0|2,0,0]=4 925 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,1,1,0,0,0|2,0,0]=4 926 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,1,1,0,0,0|2,0,0]=4 927 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,1,1,0,0,0|2,0,0]=4 928 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,1,0,0,0|1,0,0]=3 929 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,1,0,0,0|1,0,0]=3 930 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,1,0,0,0|1,0,0]=3 931 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,1,0,0,0|1,0,0]=3 932 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,1,0,0,0|0,0,2]=4 933 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,1,1,0,0,0|1,0,0]=3 934 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,1,1,0,0,0|1,0,0]=3 935 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,1,1,0,0,0|1,0,0]=3 936 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,1,1,0,0,0|1,0,0]=3 937 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,1,1,0,0,0|0,0,0]=2 938 B8R0.9 CCC(C)OCC(F)F 34a_100000743014_100011215416 [0,1,1,0,0,0|2,0,0]=4 939 B8R0.9 CCC(C)OCC(F)F 7a_100000210228_100011934356 [0,1,1,0,0,0|2,0,0]=4 940 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,1,1,0,0,0|1,0,0]=3 941 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,1,1,0,0,0|1,0,0]=3 942 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,1,1,0,0,0|0,0,0]=2 943 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,1,1,0,0,0|1,1,0]=4 944 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,1,1,0,0,0|1,1,0]=4 945 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,1,1,0,0,0|0,1,0]=3 946 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,1,1,0,0,0|0,1,0]=3 947 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,1,1,0,0,0|0,1,0]=3 948 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,1,1,0,0,0|0,1,0]=3 949 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,1,1,0,0,0|1,0,0]=3 950 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,1,1,0,0,0|1,0,0]=3 951 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,1,1,0,0,0|1,0,0]=3 952 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,1,1,0,0,0|0,0,0]=2 953 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,1,1,0,0,0|0,1,0]=3 954 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,1,1,0,0,0|0,1,0]=3 955 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,1,1,0,0,0|2,0,0]=4 956 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,1,1,0,0,0|2,0,0]=4 957 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [0,1,1,0,0,0|2,0,0]=4 958 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [0,1,1,0,0,0|2,0,0]=4 959 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,1,1,0,0,0|2,0,0]=4 960 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,1,1,0,0,0|2,0,0]=4 961 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,1,1,0,0,0|1,0,0]=3 962 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,1,1,0,0,0|1,0,0]=3 963 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,1,1,0,0,0|1,1,0]=4 964 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,1,1,0,0,0|1,1,0]=4 965 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,1,0,0,0|0,0,2]=4 966 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,1,0,0,0|0,0,2]=4 967 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,1,0,0,0|0,0,2]=4 968 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,1,0,0,0|0,0,2]=4 969 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,1,0,0,0|0,0,2]=4 970 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,1,0,0,0|0,0,2]=4 971 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,1,0,0,0|2,0,0]=4 972 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,1,0,0,0|2,0,0]=4 973 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,1,0,0,0|2,0,0]=4 974 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,1,0,0,0|2,0,0]=4 975 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,1,0,0,0|0,0,2]=4 976 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,1,0,0,0|1,0,0]=3 977 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,1,0,0,0|1,0,0]=3 978 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,1,0,0,0|1,0,0]=3 979 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,1,1,0,0,0|0,0,0]=2 980 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,1,1,0,0,0|1,1,0]=4 981 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,1,1,0,0,0|1,1,0]=4 982 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,1,1,0,0,0|0,1,0]=3 983 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,1,1,0,0,0|0,1,0]=3 984 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,1,1,0,0,0|0,1,0]=3 985 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,1,1,0,0,0|0,1,0]=3 986 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,1,1,0,0,0|1,0,0]=3 987 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,1,0,0,0|1,1,0]=4 988 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,1,0,0,0|1,1,0]=4 989 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,1,1,0,0,0|1,0,0]=3 990 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,1,1,0,0,0|0,1,0]=3 991 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,1,1,0,0,0|0,1,0]=3 992 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,1,1,0,0,0|1,0,1]=4 993 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,1,1,0,0,0|1,0,1]=4 994 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,1,1,0,0,0|1,0,1]=4 995 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,1,0,0,0|0,0,2]=4 996 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,1,0,0,0|0,0,2]=4 997 B8R0.29 CC(Br)COC(C)(C)C 34a_100012180447_100000210625 [0,1,1,0,0,0|1,0,0]=3 998 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,1,0,0,0|0,0,2]=4 999 B8R0.29 CC(C)(C)OCC(F)F 34a_100000743014_100000210625 [0,1,1,0,0,0|2,0,0]=4 1000 B8R0.29 CC(C)(C)OCC(F)F 34a_100015890283_100011934356 [0,1,1,0,0,0|2,0,0]=4 1001 B8R0.29 CC(C)(C)OCC(F)F 7a_100015890283_100011934356 [0,1,1,0,0,0|2,0,0]=4 1002 B8R0.29 CC(C)CNC(C)(C)C 2230a_100000715429_100000210760 [0,1,1,0,0,0|2,0,0]=4 1003 B8R0.29 CC(C)CNC(C)(C)C 34a_100000210953_100000210625 [0,1,1,0,0,0|2,0,0]=4 1004 B8R0.29 CC(C)COC(C)(C)C 34a_100000210257_100000210625 [0,1,1,0,0,0|1,0,0]=3 1005 B8R0.29 CC(C)COC(C)(C)C 34a_100015890283_100000210624 [0,1,1,0,0,0|1,0,0]=3 1006 B8R0.29 CC(C)COC(C)(C)C 7a_100015890283_100000210760 [0,1,1,0,0,0|1,0,0]=3 1007 B8R0.29 CC(C)CSC(C)(C)C 62a_100000210624_100000211941 [0,1,1,0,0,0|1,1,0]=4 1008 B8R0.29 CC(C)CSC(C)(C)C 62a_100000211941_100000210760 [0,1,1,0,0,0|1,1,0]=4 1009 B8R0.29 CC(C)NCC(C)(C)C 2230a_100000743828_100000210206 [0,1,1,0,0,0|2,0,0]=4 1010 B8R0.29 CC(C)NCC(C)(C)C 34a_100138425928_100011219605 [0,1,1,0,0,0|2,0,0]=4 1011 B8R0.29 CC(C)NCC(C)(C)F 2230a_100020643315_100000210206 [0,1,1,0,0,0|2,0,0]=4 1012 B8R0.29 CC(C)NCC(C)(C)F 34a_100138425928_100011997219 [0,1,1,0,0,0|2,0,0]=4 1013 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [0,1,1,0,0,0|1,0,0]=3 1014 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [0,1,1,0,0,0|1,0,0]=3 1015 B8R0.29 CC(C)OCC(C)(C)C 34a_100000212225_100011219605 [0,1,1,0,0,0|1,0,0]=3 1016 B8R0.29 CC(C)OCC(C)(C)F 34a_100000212225_100011997219 [0,1,1,0,0,0|1,0,0]=3 1017 B8R0.29 CC(C)OCC(C)(C)F 34a_100000716592_100000210206 [0,1,1,0,0,0|1,0,0]=3 1018 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,1,1,0,0,0|0,0,0]=2 1019 B8R0.29 CC(C)OCC(C)(F)F 34a_100000068830_100000210206 [0,1,1,0,0,0|1,0,0]=3 1020 B8R0.29 CC(C)OCC(F)(F)Br 34a_100011217949_100000210206 [0,1,1,0,0,0|2,0,0]=4 1021 B8R0.29 CC(C)OCC(F)(F)Cl 34a_100000734434_100000210206 [0,1,1,0,0,0|2,0,0]=4 1022 B8R0.29 CC(C)OCC(F)(F)F 34a_100000210435_100000210206 [0,1,1,0,0,0|2,0,0]=4 1023 B8R0.29 CC(C)SCC(C)(C)C 62a_100000210206_100011219605 [0,1,1,0,0,0|1,1,0]=4 1024 B8R0.29 CC(C)SCC(C)(C)C 62a_100011219605_100000210206 [0,1,1,0,0,0|1,1,0]=4 1025 B8R0.29 CC(C)SCC(C)(C)F 62a_100000210206_100011997219 [0,1,1,0,0,0|1,1,0]=4 1026 B8R0.29 CC(C)SCC(C)(C)F 62a_100011997219_100000210206 [0,1,1,0,0,0|1,1,0]=4 1027 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,1,1,0,0,0|0,1,0]=3 1028 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,1,1,0,0,0|0,1,0]=3 1029 B8R0.29 CC(F)COC(C)(C)C 34a_100015925927_100000210625 [0,1,1,0,0,0|1,0,0]=3 1030 B8R0.29 CC(O)CNC(C)(C)C 2230a_100000715429_100011218427 [0,1,1,0,0,0|1,0,0]=3 1031 B8R0.29 CC(O)CNC(C)(C)C 34a_100000210904_100000210625 [0,1,1,0,0,0|1,0,0]=3 1032 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,1,1,0,0,0|0,0,0]=2 1033 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,1,1,0,0,0|0,0,0]=2 1034 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,1,1,0,0,0|0,1,0]=3 1035 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,1,1,0,0,0|0,1,0]=3 1036 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,1,1,0,0,0|2,0,0]=4 1037 B8R0.29 C[C@@H](Cl)COC(C)(C)C 34a_100016084084_100000210625 [0,1,1,0,0,0|1,0,0]=3 1038 B8R0.29 C[C@@H](N)COC(C)(C)C 34a_100000737577_100000210625 [0,1,1,0,0,0|1,0,0]=3 1039 B8R0.29 C[C@@H](O)CNC(C)(C)C 2230a_100000715429_100009817552 [0,1,1,0,0,0|1,0,0]=3 1040 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,1,1,0,0,0|0,0,0]=2 1041 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,1,1,0,0,0|0,0,0]=2 1042 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,1,1,0,0,0|0,1,0]=3 1043 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,1,1,0,0,0|0,1,0]=3 1044 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,1,1,0,0,0|2,0,0]=4 1045 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,1,1,0,0,0|2,0,0]=4 1046 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,1,1,0,0,0|2,0,0]=4 1047 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,1,1,0,0,0|2,0,0]=4 1048 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,1,1,0,0,0|1,0,0]=3 1049 B8R0.14 CCCN(C)C(C)(C)C 2230a_100000743177_200000210301 [0,1,1,0,0,0|2,0,0]=4 1050 B8R0.14 CCCN(C)C(C)(C)C 269982a_100000743177_200000210301 [0,1,1,0,0,0|2,0,0]=4 1051 B8R0.14 CCCN(C)C(C)(C)C 269982a_100000747261_100000210625 [0,1,1,0,0,0|2,0,0]=4 1052 B8R0.14 CCCN(C)C(C)(C)C 269982a_100011215553_100000210303 [0,1,1,0,0,0|2,0,0]=4 1053 B8R0.14 CCCN([13CH3])C(C)(C)C 2230a_100000743177_200025704644 [0,1,1,0,0,0|2,0,0]=4 1054 B8R0.14 CCCN([13CH3])C(C)(C)C 269982a_100000743177_200025704644 [0,1,1,0,0,0|2,0,0]=4 1055 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,1,1,0,0,0|2,0,0]=4 1056 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [0,1,1,0,0,0|2,0,0]=4 1057 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [0,1,1,0,0,0|2,0,0]=4 1058 B8R0.21 C#CCCOC(C)(C)C 34a_100011215631_100000210625 [0,1,1,0,0,0|1,0,1]=4 1059 B8R0.21 C#CCCOC(C)(C)C 34a_100015890283_100000688953 [0,1,1,0,0,0|1,0,1]=4 1060 B8R0.21 C#CCCOC(C)(C)C 7a_100015890283_100000688953 [0,1,1,0,0,0|1,0,1]=4 1061 B8R0.21 C#CCOCC(C)(C)O 34a_100000210247_100000764493 [0,1,1,0,0,0|0,0,2]=4 1062 B8R0.21 C/C=C/COC(C)(C)C 34a_100015890283_100102629194 [0,1,1,0,0,0|1,0,1]=4 1063 B8R0.21 C/C=C/COC(C)(C)C 34a_100016270725_100000210625 [0,1,1,0,0,0|1,0,1]=4 1064 B8R0.21 C/C=C/COC(C)(C)C 7a_100015890283_100102629194 [0,1,1,0,0,0|1,0,1]=4 1065 B8R0.21 C=CCCOC(C)(C)C 34a_100011205117_100000210625 [0,1,1,0,0,0|1,0,1]=4 1066 B8R0.21 C=CCCOC(C)(C)C 34a_100015890283_100000754431 [0,1,1,0,0,0|1,0,1]=4 1067 B8R0.21 C=CCCOC(C)(C)C 7a_100015890283_100000754431 [0,1,1,0,0,0|1,0,1]=4 1068 B8R0.21 C=CCOCC(C)(C)O 34a_200000210373_100000764493 [0,1,1,0,0,0|0,0,2]=4 1069 B8R0.21 CC#CCOC(C)(C)C 34a_100000761923_100000210625 [0,1,1,0,0,0|1,0,1]=4 1070 B8R0.21 CC#CCOC(C)(C)C 34a_100015890283_100000748600 [0,1,1,0,0,0|1,0,1]=4 1071 B8R0.21 CC#CCOC(C)(C)C 7a_100015890283_100000748600 [0,1,1,0,0,0|1,0,1]=4 1072 B8R0.21 CC(C)(C)COCCBr 34a_100000211926_100011219605 [0,1,1,0,0,0|2,0,0]=4 1073 B8R0.21 CC(C)(C)COCCN 34a_100000210304_100011219605 [0,1,1,0,0,0|2,0,0]=4 1074 B8R0.21 CC(C)(C)NCCCF 2230a_100000715429_100011934791 [0,1,1,0,0,0|2,0,0]=4 1075 B8R0.21 CC(C)(C)NCCCF 34a_100015189416_100000210625 [0,1,1,0,0,0|2,0,0]=4 1076 B8R0.21 CC(C)(C)NCCCO 2230a_100000715429_100000230001 [0,1,1,0,0,0|2,0,0]=4 1077 B8R0.21 CC(C)(C)OCCC#N 7a_100015890283_100000184422 [0,1,1,0,0,0|1,0,1]=4 1078 B8R0.21 CC(C)(C)OCCCBr 34a_100011217188_100000210625 [0,1,1,0,0,0|1,0,0]=3 1079 B8R0.21 CC(C)(C)OCCCCl 34a_100000230001_100000210625 [0,1,1,0,0,0|1,0,0]=3 1080 B8R0.21 CC(C)(C)OCCCF 34a_100000759539_100000210625 [0,1,1,0,0,0|1,0,0]=3 1081 B8R0.21 CC(C)(C)OCCCF 34a_100015890283_100011934791 [0,1,1,0,0,0|1,0,0]=3 1082 B8R0.21 CC(C)(C)OCCCF 7a_100015890283_100011934791 [0,1,1,0,0,0|1,0,0]=3 1083 B8R0.21 CC(C)(C)OCCCN 34a_100000182051_100000210625 [0,1,1,0,0,0|1,0,0]=3 1084 B8R0.21 CC(C)(C)OCCCO 34a_100015890283_100000230001 [0,1,1,0,0,0|1,0,0]=3 1085 B8R0.21 CC(C)(C)OCCCO 7a_100015890283_100011215043 [0,1,1,0,0,0|1,0,0]=3 1086 B8R0.21 CC(C)(C)OCCN[13CH3] 2230a_100000747557_200025704644 [0,1,1,0,0,0|1,0,0]=3 1087 B8R0.21 CC(C)(C)OCCON 34a_100000700252_100000210625 [0,1,1,0,0,0|2,0,0]=4 1088 B8R0.21 CC(C)(C)OCCO[13CH3] 34a_100000693234_200025704644 [0,1,1,0,0,0|1,0,0]=3 1089 B8R0.21 CC(C)(C)OCCO[13CH3] 7a_100000693234_200025704644 [0,1,1,0,0,0|1,0,0]=3 1090 B8R0.21 CC(C)(C)SCCCF 62a_100000211941_100011934791 [0,1,1,0,0,0|1,1,0]=4 1091 B8R0.21 CC(C)(C)SCCCF 62a_100011934791_100000211941 [0,1,1,0,0,0|1,1,0]=4 1092 B8R0.21 CC(C)(C)SCCCO 62a_100000211941_100011215043 [0,1,1,0,0,0|1,1,0]=4 1093 B8R0.21 CC(C)(C)SCCCO 62a_100011215043_100000211941 [0,1,1,0,0,0|1,1,0]=4 1094 B8R0.21 CC(C)(C)SCCN[13CH3] 2230a_100000689375_200025704644 [0,1,1,0,0,0|1,1,0]=4 1095 B8R0.21 CC(C)(F)COCCBr 34a_100000211926_100011997219 [0,1,1,0,0,0|2,0,0]=4 1096 B8R0.21 CC(C)(F)COCCF 34a_100000716592_100011217306 [0,1,1,0,0,0|2,0,0]=4 1097 B8R0.21 CC(C)(F)COCCN 34a_100000210304_100011997219 [0,1,1,0,0,0|2,0,0]=4 1098 B8R0.21 CC(C)(F)COCCO 34a_100000716592_100000211926 [0,1,1,0,0,0|2,0,0]=4 1099 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,1,1,0,0,0|1,0,0]=3 1100 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,1,1,0,0,0|1,0,0]=3 1101 B8R0.21 CC(C)(O)CCSCF 62a_100000702414_100015361967 [0,1,1,0,0,0|2,0,0]=4 1102 B8R0.21 CC(C)(O)CCSCF 62a_100015361967_100000702414 [0,1,1,0,0,0|2,0,0]=4 1103 B8R0.21 CC(C)(O)CNCCF 2230a_100000751335_100011217306 [0,1,1,0,0,0|2,0,0]=4 1104 B8R0.21 CC(C)(O)CNCCF 34a_100000724931_100000764493 [0,1,1,0,0,0|2,0,0]=4 1105 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [0,1,1,0,0,0|2,0,0]=4 1106 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [0,1,1,0,0,0|2,0,0]=4 1107 B8R0.21 CC(C)(O)COCCBr 34a_100000211926_100000764493 [0,1,1,0,0,0|1,0,0]=3 1108 B8R0.21 CC(C)(O)COCCN 34a_100000210304_100000764493 [0,1,1,0,0,0|1,0,0]=3 1109 B8R0.21 CC(C)(O)CSCCF 62a_100000764493_100011217306 [0,1,1,0,0,0|1,1,0]=4 1110 B8R0.21 CC(C)(O)CSCCF 62a_100011217306_100000764493 [0,1,1,0,0,0|1,1,0]=4 1111 B8R0.21 CC(C)(O)CSCCO 62a_100000211926_100000764493 [0,1,1,0,0,0|1,1,0]=4 1112 B8R0.21 CC(C)(O)CSCCO 62a_100000764493_100000211926 [0,1,1,0,0,0|1,1,0]=4 1113 B8R0.21 CC=CCOC(C)(C)C 34a_100015890283_100000070051 [0,1,1,0,0,0|1,0,1]=4 1114 B8R0.21 CC=CCOC(C)(C)C 7a_100015890283_100000070051 [0,1,1,0,0,0|1,0,1]=4 1115 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [0,1,1,0,0,0|2,0,0]=4 1116 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [0,1,1,0,0,0|1,0,0]=3 1117 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [0,1,1,0,0,0|1,0,0]=3 1118 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [0,1,1,0,0,0|1,0,0]=3 1119 B8R0.21 CCCCSC(C)(C)C 62a_100000210211_100000211941 [0,1,1,0,0,0|1,1,0]=4 1120 B8R0.21 CCCCSC(C)(C)C 62a_100000211941_100000210210 [0,1,1,0,0,0|1,1,0]=4 1121 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [0,1,1,0,0,0|2,0,0]=4 1122 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [0,1,1,0,0,0|2,0,0]=4 1123 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [0,1,1,0,0,0|2,0,0]=4 1124 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [0,1,1,0,0,0|1,0,0]=3 1125 B8R0.21 CCCOCC(C)(C)C 34a_100000210258_100011219605 [0,1,1,0,0,0|1,0,0]=3 1126 B8R0.21 CCCOCC(C)(C)F 34a_100000210258_100011997219 [0,1,1,0,0,0|1,0,0]=3 1127 B8R0.21 CCCOCC(C)(C)F 34a_100000716592_100000210303 [0,1,1,0,0,0|1,0,0]=3 1128 B8R0.21 CCCOCC(C)(C)O 34a_100000210258_100000764493 [0,1,1,0,0,0|0,0,0]=2 1129 B8R0.21 CCCOCC(C)(F)F 34a_100000068830_100000210303 [0,1,1,0,0,0|2,0,0]=4 1130 B8R0.21 CCCSCC(C)(C)C 62a_100000210303_100011219605 [0,1,1,0,0,0|1,1,0]=4 1131 B8R0.21 CCCSCC(C)(C)C 62a_100011219605_100000210303 [0,1,1,0,0,0|1,1,0]=4 1132 B8R0.21 CCCSCC(C)(C)F 62a_100000210303_100011997219 [0,1,1,0,0,0|1,1,0]=4 1133 B8R0.21 CCCSCC(C)(C)F 62a_100011997219_100000210303 [0,1,1,0,0,0|1,1,0]=4 1134 B8R0.21 CCCSCC(C)(C)O 62a_100000210303_100000764493 [0,1,1,0,0,0|0,1,0]=3 1135 B8R0.21 CCCSCC(C)(C)O 62a_100000764493_100000210303 [0,1,1,0,0,0|0,1,0]=3 1136 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [0,1,1,0,0,0|2,0,0]=4 1137 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [0,1,1,0,0,0|2,0,0]=4 1138 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [0,1,1,0,0,0|2,0,0]=4 1139 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [0,1,1,0,0,0|1,0,0]=3 1140 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [0,1,1,0,0,0|2,0,0]=4 1141 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [0,1,1,0,0,0|2,0,0]=4 1142 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [0,1,1,0,0,0|1,0,0]=3 1143 B8R0.21 CCOCSC(C)(C)C 62a_100000211941_100000739092 [0,1,1,0,0,0|1,1,0]=4 1144 B8R0.21 CCOCSC(C)(C)C 62a_100000739092_100000211941 [0,1,1,0,0,0|1,1,0]=4 1145 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [0,1,1,0,0,0|2,0,0]=4 1146 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [0,1,1,0,0,0|2,0,0]=4 1147 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [0,1,1,0,0,0|1,0,0]=3 1148 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [0,1,1,0,0,0|1,0,0]=3 1149 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,1,1,0,0,0|1,0,0]=3 1150 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,1,1,0,0,0|1,0,0]=3 1151 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,1,1,0,0,0|1,0,0]=3 1152 B8R0.21 CNCCOC(C)(C)C 2230a_100000747557_200000210301 [0,1,1,0,0,0|1,0,0]=3 1153 B8R0.21 CNCCO[Si](C)(C)C 2230a_106832991635_200000032530 [0,1,1,0,0,0|1,1,0]=4 1154 B8R0.21 CNCCO[Si](C)(C)C 34a_100102657272_200000032530 [0,1,1,0,0,0|1,1,0]=4 1155 B8R0.21 CNCCO[Si](C)(C)C 7a_106832991635_200000032530 [0,1,1,0,0,0|1,1,0]=4 1156 B8R0.21 CNCCSC(C)(C)C 2230a_100000689375_200000210301 [0,1,1,0,0,0|1,1,0]=4 1157 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [0,1,1,0,0,0|1,0,0]=3 1158 B8R0.21 COCCNC(C)(C)C 2230a_100000715429_100011201679 [0,1,1,0,0,0|2,0,0]=4 1159 B8R0.21 COCCOC(C)(C)C 34a_100000210237_100000210625 [0,1,1,0,0,0|1,0,0]=3 1160 B8R0.21 COCCOC(C)(C)C 34a_100000693234_200000210301 [0,1,1,0,0,0|1,0,0]=3 1161 B8R0.21 COCCOC(C)(C)C 34a_100015890283_100011201679 [0,1,1,0,0,0|1,0,0]=3 1162 B8R0.21 COCCOC(C)(C)C 7a_100000693234_200000210301 [0,1,1,0,0,0|1,0,0]=3 1163 B8R0.21 COCCOC(C)(C)C 7a_100015890283_100000233755 [0,1,1,0,0,0|1,0,0]=3 1164 B8R0.21 COCCO[Si](C)(C)C 34a_100138415774_200000032530 [0,1,1,0,0,0|1,1,0]=4 1165 B8R0.21 COCCSC(C)(C)C 62a_100000211941_100000233755 [0,1,1,0,0,0|1,1,0]=4 1166 B8R0.21 COCCSC(C)(C)C 62a_100000233755_100000211941 [0,1,1,0,0,0|1,1,0]=4 1167 B8R0.21 COCNCC(C)(C)O 2230a_100000751335_100000766300 [0,1,1,0,0,0|2,0,0]=4 1168 B8R0.21 COCSCC(C)(C)O 62a_100000764493_100000766300 [0,1,1,0,0,0|1,1,0]=4 1169 B8R0.21 COCSCC(C)(C)O 62a_100000766300_100000764493 [0,1,1,0,0,0|1,1,0]=4 1170 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,1,1,0,0,0|1,0,0]=3 1171 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,1,1,0,0,0|1,0,0]=3 1172 B8R0.21 CSCCNC(C)(C)C 2230a_100000715429_100000751147 [0,1,1,0,0,0|2,0,0]=4 1173 B8R0.21 CSCCOC(C)(C)C 34a_100000230434_100000210625 [0,1,1,0,0,0|1,0,0]=3 1174 B8R0.21 CSCCOC(C)(C)C 34a_100015890283_100000212216 [0,1,1,0,0,0|1,0,0]=3 1175 B8R0.21 CSCCOC(C)(C)C 7a_100015890283_100000212216 [0,1,1,0,0,0|1,0,0]=3 1176 B8R0.21 CSCCO[Si](C)(C)C 62a_200000032530_200000210301 [0,1,1,0,0,0|1,1,0]=4 1177 B8R0.21 CSCCO[Si](C)(C)C 62a_200000210301_200000032530 [0,1,1,0,0,0|1,1,0]=4 1178 B8R0.21 CSCCSC(C)(C)C 62a_100000211941_100000751147 [0,1,1,0,0,0|1,1,0]=4 1179 B8R0.21 CSCCSC(C)(C)C 62a_100000212216_100000211941 [0,1,1,0,0,0|1,1,0]=4 1180 B8R0.21 CSCNCC(C)(C)O 2230a_100000751335_100011218213 [0,1,1,0,0,0|2,0,0]=4 1181 B8R0.21 CSCOCC(C)(C)F 34a_100000716592_100011218213 [0,1,1,0,0,0|2,0,0]=4 1182 B8R0.21 CSCSCC(C)(C)O 62a_100000764493_100011218213 [0,1,1,0,0,0|1,1,0]=4 1183 B8R0.21 CSCSCC(C)(C)O 62a_100011218213_100000764493 [0,1,1,0,0,0|1,1,0]=4 1184 B8R0.21 C[Si](C)(C)OCCS[13CH3] 62a_200000032530_200025704644 [0,1,1,0,0,0|1,1,0]=4 1185 B8R0.21 C[Si](C)(C)OCCS[13CH3] 62a_200025704644_200000032530 [0,1,1,0,0,0|1,1,0]=4 1186 B8R0.25 C#CC(C)(C)NCCC 34a_100000054563_100000210303 [0,1,1,0,0,0|2,0,0]=4 1187 B8R0.25 C#CC(C)(C)OCCBr 34a_100000211926_100000038118 [0,1,1,0,0,0|2,0,0]=4 1188 B8R0.25 C#CC(C)(C)OCCC 34a_100000189450_100000210303 [0,1,1,0,0,0|1,0,0]=3 1189 B8R0.25 C#CC(C)(C)OCCC 34a_100000210258_100000038118 [0,1,1,0,0,0|1,0,0]=3 1190 B8R0.25 C#CC(C)(C)OCCC 7a_100000189450_100000210303 [0,1,1,0,0,0|1,0,0]=3 1191 B8R0.25 C#CC(C)(C)OCCF 34a_100000189450_100011217306 [0,1,1,0,0,0|2,0,0]=4 1192 B8R0.25 C#CC(C)(C)OCCF 7a_100000189450_100011217306 [0,1,1,0,0,0|2,0,0]=4 1193 B8R0.25 C#CC(C)(C)OCCN 34a_100000210304_100000038118 [0,1,1,0,0,0|2,0,0]=4 1194 B8R0.25 C#CC(C)(C)OCCO 34a_100000189450_100000211926 [0,1,1,0,0,0|2,0,0]=4 1195 B8R0.25 C#CC(C)(C)OCCO 7a_100000189450_100000211926 [0,1,1,0,0,0|2,0,0]=4 1196 B8R0.25 C#CC(C)(C)OCSC 34a_100000189450_100011218213 [0,1,1,0,0,0|2,0,0]=4 1197 B8R0.25 C#CC(C)(C)SCCC 62a_100000038118_100000210303 [0,1,1,0,0,0|1,1,0]=4 1198 B8R0.25 C#CC(C)(C)SCCC 62a_100000210303_100000038118 [0,1,1,0,0,0|1,1,0]=4 1199 B8R0.25 C=CC(C)(C)OCCC 34a_100011215311_100000210303 [0,1,1,0,0,0|1,0,0]=3 1200 B8R0.25 C=CC(C)(C)OCCC 7a_100011215311_100000210303 [0,1,1,0,0,0|1,0,0]=3 1201 B8R0.25 C=CC(C)(C)OCCF 34a_100011215311_100011217306 [0,1,1,0,0,0|2,0,0]=4 1202 B8R0.25 C=CC(C)(C)OCCF 7a_100011215311_100011217306 [0,1,1,0,0,0|2,0,0]=4 1203 B8R0.25 C=CC(C)(C)OCCO 34a_100011215311_100000211926 [0,1,1,0,0,0|2,0,0]=4 1204 B8R0.25 C=CC(C)(C)OCCO 7a_100011215311_100000211926 [0,1,1,0,0,0|2,0,0]=4 1205 B8R0.25 C=CC(C)(C)OCSC 34a_100011215311_100011218213 [0,1,1,0,0,0|2,0,0]=4 1206 B8R0.25 CC(C)(C#N)OCCBr 34a_100000211926_100011162410 [0,1,1,0,0,0|2,0,0]=4 1207 B8R0.25 CC(C)(C#N)OCCF 34a_200015195151_100011217306 [0,1,1,0,0,0|2,0,0]=4 1208 B8R0.25 CC(C)(C#N)OCCN 34a_100000210304_100011162410 [0,1,1,0,0,0|2,0,0]=4 1209 B8R0.25 CC(C)(C#N)OCCO 34a_200015195151_100000211926 [0,1,1,0,0,0|2,0,0]=4 1210 B8R0.25 CC(C)(CCCBr)O[13CH3] 7a_100009888830_200025704644 [0,1,1,0,0,0|2,0,0]=4 1211 B8R0.25 CC(C)(CCl)OCCF 7a_100000764493_100011217306 [0,1,1,0,0,0|2,0,0]=4 1212 B8R0.25 CC(C)(CCl)OCCO 7a_100000764493_100000211926 [0,1,1,0,0,0|2,0,0]=4 1213 B8R0.25 CC(C)(CO)NCCF 2230a_100000210608_100011217306 [0,1,1,0,0,0|2,0,0]=4 1214 B8R0.25 CC(C)(CO)NCCO 2230a_100000210608_100000211926 [0,1,1,0,0,0|2,0,0]=4 1215 B8R0.25 CCC(C)(C)OCCF 7a_100000210230_100011217306 [0,1,1,0,0,0|2,0,0]=4 1216 B8R0.25 CCC(C)(C)OCCO 7a_100000210230_100000211926 [0,1,1,0,0,0|2,0,0]=4 1217 B8R0.25 CCCCC(C)(C)OC 7a_100011219641_200000210301 [0,1,1,0,0,0|1,0,0]=3 1218 B8R0.25 CCCCC(C)(C)O[13CH3] 7a_100011219641_200025704644 [0,1,1,0,0,0|1,0,0]=3 1219 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,1,1,0,0,0|2,0,0]=4 1220 B8R0.25 CCCNC(C)(C)CO 2230a_100000210608_100000210303 [0,1,1,0,0,0|1,0,0]=3 1221 B8R0.25 CCCOC(C)(C)C#N 34a_100000210258_100011162410 [0,1,1,0,0,0|1,0,0]=3 1222 B8R0.25 CCCOC(C)(C)C#N 34a_200015195151_100000210303 [0,1,1,0,0,0|1,0,0]=3 1223 B8R0.25 CCCOC(C)(C)CC 7a_100000210230_100000210303 [0,1,1,0,0,0|1,0,0]=3 1224 B8R0.25 CCCOC(C)(C)CCl 7a_100000764493_100000210303 [0,1,1,0,0,0|1,0,0]=3 1225 B8R0.25 CCCSC(C)(C)C#N 62a_100000210303_100011162410 [0,1,1,0,0,0|1,1,0]=4 1226 B8R0.25 CCCSC(C)(C)C#N 62a_100011162410_100000210303 [0,1,1,0,0,0|1,1,0]=4 1227 B8R0.25 CCCSC(C)(C)CC 62a_100000032637_100000210303 [0,1,1,0,0,0|1,1,0]=4 1228 B8R0.25 CCCSC(C)(C)CC 62a_100000210303_100000032637 [0,1,1,0,0,0|1,1,0]=4 1229 B8R0.25 CCNCC(C)(C)CO 2230a_100020635058_100000210202 [0,1,1,0,0,0|2,0,0]=4 1230 B8R0.25 CCNCC(C)(C)OC 2230a_100000763424_100000210202 [0,1,1,0,0,0|2,0,0]=4 1231 B8R0.25 CCOCC(C)(C)CO 34a_100121572206_100009813988 [0,1,1,0,0,0|2,0,0]=4 1232 B8R0.25 CCOCC(C)(C)OC 34a_100121572206_100000701081 [0,1,1,0,0,0|2,0,0]=4 1233 B8R0.25 CCSCC(C)(C)CO 62a_100000210202_100009813988 [0,1,1,0,0,0|2,0,0]=4 1234 B8R0.25 CCSCC(C)(C)CO 62a_100009813988_100000210202 [0,1,1,0,0,0|2,0,0]=4 1235 B8R0.25 CCSCC(C)(C)OC 62a_100000210202_100000701081 [0,1,1,0,0,0|2,0,0]=4 1236 B8R0.25 CCSCC(C)(C)OC 62a_100000701081_100000210202 [0,1,1,0,0,0|2,0,0]=4 1237 B8R0.25 COC(C)(C)CCCBr 7a_100009888830_200000210301 [0,1,1,0,0,0|2,0,0]=4 1238 B8R0.25 COC(C)(C)CCO[13CH3] 7a_100000699976_200025704644 [0,1,1,0,0,0|2,0,0]=4 1239 B8R0.25 COCCC(C)(C)OC 7a_100000699976_200000210301 [0,1,1,0,0,0|2,0,0]=4 1240 B8R0.25 COCNC(C)(C)CO 2230a_100000210608_100000766300 [0,1,1,0,0,0|2,0,0]=4 1241 B8R0.25 CSCNC(C)(C)CO 2230a_100000210608_100011218213 [0,1,1,0,0,0|2,0,0]=4 1242 B8R0.25 CSCOC(C)(C)C#N 34a_200015195151_100011218213 [0,1,1,0,0,0|2,0,0]=4 1243 B8R0.27 CC(C)C(=O)C(C)(C)C 1458a_106744555173_100000210206 [0,1,1,0,0,0|2,0,0]=4 1244 B8R0.27 CC(C)C(=O)C(C)(C)F 1458a_100000765255_100000210206 [0,1,1,0,0,0|2,0,0]=4 1245 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [0,1,1,0,0,0|1,0,0]=3 1246 B8R0.27 CC(C)N(C)C(C)(C)C 269982a_100011215553_100000210206 [0,1,1,0,0,0|2,0,0]=4 1247 B8R0.27 CC(C)N(C)C(C)(C)C 269982a_200000211004_100000210625 [0,1,1,0,0,0|2,0,0]=4 1248 B8R0.27 CC(C)N(C)C(C)(C)C 269982a_200020682127_200000210301 [0,1,1,0,0,0|2,0,0]=4 1249 B8R0.27 CC(C)N([13CH3])C(C)(C)C 269982a_200020682127_200025704644 [0,1,1,0,0,0|2,0,0]=4 1250 B8R0.27 CN(C)C(=O)C(C)(C)O 240690a_100102631434_100000242741 [0,1,1,0,0,0|2,0,0]=4 1251 B8R0.33 CC(C)(C)OC(C)(C)C 34a_100015890283_100000210625 [0,1,1,0,0,0|1,0,0]=3 1252 B8R0.33 CC(C)(C)SC(C)(C)C 62a_100000211941_100000211941 [0,1,1,0,0,0|1,1,0]=4 1253 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,1,1,0,0,0|2,0,0]=4 1254 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,1,1,0,0,0|2,0,0]=4 1255 B8R0.12 CC(C)C(C)(C)OCF 7a_100011215261_100015361967 [0,1,1,0,0,0|2,0,0]=4 1256 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,1,0,0,0|2,0,0]=4 1257 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,1,0,0,0|2,0,0]=4 1258 B8R0.12 CCNC(C)(C)C(C)C 2230a_200160471154_100000210202 [0,1,1,0,0,0|2,0,0]=4 1259 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,1,0,0,0|1,0,0]=3 1260 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,1,0,0,0|1,0,0]=3 1261 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,1,0,0,0|1,0,0]=3 1262 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,1,0,0,0|2,0,0]=4 1263 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,1,0,0,0|2,0,0]=4 1264 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,1,0,0,0|2,0,0]=4 1265 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,1,0,0,0|1,0,0]=3 1266 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [0,1,1,0,0,0|1,0,0]=3 1267 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,1,0,0,0|1,1,0]=4 1268 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,1,0,0,0|1,1,0]=4 1269 B8R0.12 CCSC(C)(C)N(C)C 62a_100000210202_217856628674 [0,1,1,0,0,0|1,1,0]=4 1270 B8R0.12 CCSC(C)(C)N(C)C 62a_217856628674_100000210202 [0,1,1,0,0,0|1,1,0]=4 1271 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,1,1,0,0,0|2,0,0]=4 1272 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,1,1,0,0,0|1,0,0]=3 1273 B8R0.13 CCN(C)C(C)(C)CC 2230a_200000755171_100000210202 [0,1,1,0,0,0|2,0,0]=4 1274 B8R0.13 CCN(C)C(C)(C)CC 269982a_100000225621_100000032637 [0,1,1,0,0,0|2,0,0]=4 1275 B8R0.13 CCN(C)C(C)(C)CC 269982a_200000755171_100000204670 [0,1,1,0,0,0|2,0,0]=4 1276 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [0,1,1,0,0,0|2,0,0]=4 1277 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [0,1,1,0,0,0|2,0,0]=4 1278 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [0,1,1,0,0,0|2,0,0]=4 1279 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [0,1,1,0,0,0|2,0,0]=4 1280 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [0,1,1,0,0,0|2,0,0]=4 1281 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,1,1,0,0,0|2,0,0]=4 1282 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,1,1,0,0,0|2,0,0]=4 1283 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,1,1,0,0,0|2,0,0]=4 1284 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,1,1,0,0,0|2,0,0]=4 1285 B8R0.13 COC(C)(C)C(=O)CF 1458a_100000753492_100015361967 [0,1,1,0,0,0|2,0,0]=4 1286 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,1,1,0,0,0|1,0,1]=4 1287 B8R0.30 CC(C)(CCBr)OCF 7a_100000702414_100015361967 [0,1,1,0,0,0|2,0,0]=4 1288 B8R0.30 CCCC(C)(C)COC 7a_100011995695_200000210301 [0,1,1,0,0,0|1,0,0]=3 1289 B8R0.30 CCCC(C)(C)CO[13CH3] 7a_100011995695_200025704644 [0,1,1,0,0,0|1,0,0]=3 1290 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,1,1,0,0,0|1,0,0]=3 1291 B8R0.30 CCCC(C)(C)OCF 7a_100000748436_100015361967 [0,1,1,0,0,0|1,0,0]=3 1292 B8R0.30 CCNC(C)(C)COC 2230a_100000752728_100000210202 [0,1,1,0,0,0|1,0,0]=3 1293 B8R0.30 CCNC(C)(C)COC 7a_100000747347_200000210301 [0,1,1,0,0,0|1,0,0]=3 1294 B8R0.30 CCNC(C)(C)CO[13CH3] 7a_100000747347_200025704644 [0,1,1,0,0,0|1,0,0]=3 1295 B8R0.30 CCNC(C)(C)CSC 2230a_100000759623_100000210202 [0,1,1,0,0,0|1,1,0]=4 1296 B8R0.30 CCNC(C)(C)CSC 7a_100000759623_100000210202 [0,1,1,0,0,0|1,1,0]=4 1297 B8R0.30 CCOC(C)(C)CCBr 7a_100000702414_100000210202 [0,1,1,0,0,0|1,0,0]=3 1298 B8R0.30 CCO[Si](C)(C)CSC 62a_200000065227_200000210301 [0,1,1,0,0,0|0,2,0]=4 1299 B8R0.30 CCO[Si](C)(C)CSC 62a_200000210301_200000065227 [0,1,1,0,0,0|0,2,0]=4 1300 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200000065227_200025704644 [0,1,1,0,0,0|0,2,0]=4 1301 B8R0.30 CCO[Si](C)(C)CS[13CH3] 62a_200025704644_200000065227 [0,1,1,0,0,0|0,2,0]=4 1302 B8R0.30 CNCC(C)(C)COC 2230a_100000734190_200000210301 [0,1,1,0,0,0|2,0,0]=4 1303 B8R0.30 COCC(C)(C)CN[13CH3] 2230a_100000734190_200025704644 [0,1,1,0,0,0|2,0,0]=4 1304 B8R0.31 C#CC(C)(CC)OCC 34a_100000686493_100000210202 [0,1,1,0,0,0|1,0,1]=4 1305 B8R0.31 C#CC(C)(CC)OCC 7a_100000686493_100000210202 [0,1,1,0,0,0|1,0,1]=4 1306 B8R0.31 CCC(C)(CC)OCF 7a_100000755174_100015361967 [0,1,1,0,0,0|2,0,0]=4 1307 B8R0.31 CCCC(C)(CC)NC 7a_106832991635_200000040151 [0,1,1,0,0,0|2,0,0]=4 1308 B8R0.31 CCCC(C)(CC)OC 7a_200011215934_200000210301 [0,1,1,0,0,0|1,0,0]=3 1309 B8R0.31 CCCC(C)(CC)O[13CH3] 7a_200011215934_200025704644 [0,1,1,0,0,0|1,0,0]=3 1310 B8R0.31 CCCC(C)(CC)SC 62a_200000040151_200000210301 [0,1,1,0,0,0|1,1,0]=4 1311 B8R0.31 CCCC(C)(CC)SC 62a_200000210301_200000040151 [0,1,1,0,0,0|1,1,0]=4 1312 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200000040151_200025704644 [0,1,1,0,0,0|1,1,0]=4 1313 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200025704644_200000040151 [0,1,1,0,0,0|1,1,0]=4 1314 B8R0.31 CCOC(C)(C#N)CC 7a_100000760259_100000210202 [0,1,1,0,0,0|1,0,1]=4 1315 B8R0.31 CCOC(C)(CC)CC 7a_100000755174_100000210202 [0,1,1,0,0,0|1,0,0]=3 1316 B8R0.31 CCSC(C)(CC)CC 62a_100000210202_100009817345 [0,1,1,0,0,0|1,1,0]=4 1317 B8R0.31 CCSC(C)(CC)CC 62a_100009817345_100000210202 [0,1,1,0,0,0|1,1,0]=4 1318 B8R0.31 CNCC(C)(OC)OC 2230a_100000732740_200000210301 [0,1,1,0,0,0|2,0,0]=4 1319 B8R0.31 CNCC(C)(OC)OC 2230a_106832991635_100000064154 [0,1,1,0,0,0|2,0,0]=4 1320 B8R0.31 CNCC(C)(OC)OC 34a_100102657272_100000766008 [0,1,1,0,0,0|2,0,0]=4 1321 B8R0.31 COC(C)(CN[13CH3])OC 2230a_100000732740_200025704644 [0,1,1,0,0,0|2,0,0]=4 1322 B8R0.31 COC(C)(CSC)OC 62a_100000766008_200000210301 [0,1,1,0,0,0|2,0,0]=4 1323 B8R0.31 COC(C)(CSC)OC 62a_200000210301_100000766008 [0,1,1,0,0,0|2,0,0]=4 1324 B8R0.31 COC(C)(CS[13CH3])OC 62a_100000766008_200025704644 [0,1,1,0,0,0|2,0,0]=4 1325 B8R0.31 COC(C)(CS[13CH3])OC 62a_200025704644_100000766008 [0,1,1,0,0,0|2,0,0]=4 1326 B8R0.31 COCC(C)(OC)OC 34a_100138415774_100000766008 [0,1,1,0,0,0|2,0,0]=4 1327 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,1,0,0,0,0|2,0,0]=4 1328 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [1,1,0,0,0,0|2,0,0]=4 1329 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,1,0,0,0,0|1,0,1]=4 1330 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,1,0,0,0,0|2,0,0]=4 1331 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,1,0,0,0,0|1,0,1]=4 1332 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,1,0,0,0,0|1,0,1]=4 1333 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,1,0,0,0,0|1,0,1]=4 1334 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [1,1,0,0,0,0|2,0,0]=4 1335 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [1,1,0,0,0,0|2,0,0]=4 1336 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [1,1,0,0,0,0|2,0,0]=4 1337 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [1,1,0,0,0,0|2,0,0]=4 1338 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [1,1,0,0,0,0|2,0,0]=4 1339 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [1,1,0,0,0,0|2,0,0]=4 1340 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [1,1,0,0,0,0|2,0,0]=4 1341 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [1,1,0,0,0,0|2,0,0]=4 1342 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [1,1,0,0,0,0|2,0,0]=4 1343 B8R1.19 CC1(SCCN1[13CH3])C 2230a_100011217261_200025704644 [1,1,0,0,0,0|1,1,0]=4 1344 B8R1.19 CC1(SCCN1[13CH3])C 269982a_100011217261_200025704644 [1,1,0,0,0,0|1,1,0]=4 1345 B8R1.19 CC1(SCCN1[13CH3])C 34a_100011217261_200025704644 [1,1,0,0,0,0|1,1,0]=4 1346 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [1,1,0,0,0,0|2,0,0]=4 1347 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [1,1,0,0,0,0|2,0,0]=4 1348 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [1,1,0,0,0,0|2,0,0]=4 1349 B8R1.19 CN1CCSC1(C)C 2230a_100011217261_200000210301 [1,1,0,0,0,0|1,1,0]=4 1350 B8R1.19 CN1CCSC1(C)C 269982a_100011217261_200000210301 [1,1,0,0,0,0|1,1,0]=4 1351 B8R1.19 CN1CCSC1(C)C 34a_100011217261_200000210301 [1,1,0,0,0,0|1,1,0]=4 1352 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [1,1,0,0,0,0|2,0,0]=4 1353 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [1,1,0,0,0,0|2,0,0]=4 1354 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B8R1.53 CC1(CN(C1)CF)C 269982a_100000753659_100015361967 [0,1,0,0,1,0|2,0,0]=4 1357 B8R1.53 CCN1CC(C1)(C)C 2230a_100000753659_100000210202 [0,1,0,0,1,0|2,0,0]=4 1358 B8R1.53 CCN1CC(C1)(C)C 269982a_100000753659_100000204670 [0,1,0,0,1,0|2,0,0]=4 1359 B8R1.53 CN[C@H]1C[C@@](C1)(C)O 2230a_100121572536_200000210301 [0,1,0,0,1,0|2,0,0]=4 1360 B8R1.53 C[C@@]1(C[C@H](C1)N[13CH3])O 2230a_100121572536_200025704644 [0,1,0,0,1,0|2,0,0]=4 1361 B8R1.62 CC1(CN(C1)[13CH3])CO 2230a_100015203900_200025704644 [0,1,0,0,1,0|2,0,0]=4 1362 B8R1.62 CC1(CN(C1)[13CH3])CO 269982a_100015203900_200025704644 [0,1,0,0,1,0|2,0,0]=4 1363 B8R1.62 CN1CC(C1)(C)CO 2230a_100015203900_200000210301 [0,1,0,0,1,0|2,0,0]=4 1364 B8R1.62 CN1CC(C1)(C)CO 269982a_100015203900_200000210301 [0,1,0,0,1,0|2,0,0]=4 1365 B8R1.62 COC1(CN(C1)C)C 2230a_100000695453_200000210301 [0,1,0,0,1,0|2,0,0]=4 1366 B8R1.62 COC1(CN(C1)C)C 269982a_100000695453_200000210301 [0,1,0,0,1,0|2,0,0]=4 1367 B8R1.62 COC1(CN(C1)[13CH3])C 2230a_100000695453_200025704644 [0,1,0,0,1,0|2,0,0]=4 1368 B8R1.62 COC1(CN(C1)[13CH3])C 269982a_100000695453_200025704644 [0,1,0,0,1,0|2,0,0]=4 1369 B10R1.26 CC1(CCC(CC1)N[13CH3])C 2230a_100000757809_200025704644 [0,1,0,0,0,1|2,0,0]=4 1370 B10R1.26 CC1(CCC(CC1)N[13CH3])C 34a_100000757809_200025704644 [0,1,0,0,0,1|2,0,0]=4 1371 B10R1.26 CC1(CCC(CC1)O[13CH3])C 34a_100000703974_200025704644 [0,1,0,0,0,1|2,0,0]=4 1372 B10R1.26 CC1(CCC(CC1)O[13CH3])C 7a_100000703974_200025704644 [0,1,0,0,0,1|2,0,0]=4 1373 B10R1.26 CC1(OCC(CO1)N[13CH3])C 2230a_100000701369_200025704644 [0,1,0,0,0,1|0,0,0]=2 1374 B10R1.26 CC1(OCC(CO1)N[13CH3])C 34a_100000701369_200025704644 [0,1,0,0,0,1|0,0,0]=2 1375 B10R1.26 CC1(OCC(CO1)O[13CH3])C 34a_100000704146_200025704644 [0,1,0,0,0,1|0,0,0]=2 1376 B10R1.26 CC1(OCC(CO1)O[13CH3])C 7a_100000704146_200025704644 [0,1,0,0,0,1|0,0,0]=2 1377 B10R1.26 CNC1CCC(CC1)(C)C 2230a_100000757809_200000210301 [0,1,0,0,0,1|2,0,0]=4 1378 B10R1.26 CNC1CCC(CC1)(C)C 270004a_106832991635_100000061838 [0,1,0,0,0,1|2,0,0]=4 1379 B10R1.26 CNC1CCC(CC1)(C)C 34a_100000757809_200000210301 [0,1,0,0,0,1|2,0,0]=4 1380 B10R1.26 CNC1COC(OC1)(C)C 2230a_100000701369_200000210301 [0,1,0,0,0,1|0,0,0]=2 1381 B10R1.26 CNC1COC(OC1)(C)C 34a_100000701369_200000210301 [0,1,0,0,0,1|0,0,0]=2 1382 B10R1.26 COC1CCC(CC1)(C)C 34a_100000703974_200000210301 [0,1,0,0,0,1|2,0,0]=4 1383 B10R1.26 COC1CCC(CC1)(C)C 7a_100000703974_200000210301 [0,1,0,0,0,1|2,0,0]=4 1384 B10R1.26 COC1COC(OC1)(C)C 34a_100000704146_200000210301 [0,1,0,0,0,1|0,0,0]=2 1385 B10R1.26 COC1COC(OC1)(C)C 7a_100000704146_200000210301 [0,1,0,0,0,1|0,0,0]=2 1386 B10R1.171 CC1(CC(CCO1)N[13CH3])C 2230a_100000696200_200025704644 [0,1,0,0,0,1|1,0,0]=3 1387 B10R1.171 CC1(CC(CCO1)O[13CH3])C 34a_100000693217_200025704644 [0,1,0,0,0,1|1,0,0]=3 1388 B10R1.171 CC1(CC(CCO1)O[13CH3])C 7a_100000693217_200025704644 [0,1,0,0,0,1|1,0,0]=3 1389 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_100010191092_200025704644 [0,1,0,0,0,1|1,0,0]=3 1390 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_200025704644_100010191092 [0,1,0,0,0,1|1,0,0]=3 1391 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [0,1,0,0,0,1|2,0,0]=4 1392 B10R1.171 CC1(CN(CCO1)CF)C 269982a_100000738910_100015361967 [0,1,0,0,0,1|2,0,0]=4 1393 B10R1.171 CC1(CN(CCO1)CF)C 34a_100000738910_100015361967 [0,1,0,0,0,1|2,0,0]=4 1394 B10R1.171 CCN1CCOC(C1)(C)C 2230a_100000738910_100000210202 [0,1,0,0,0,1|2,0,0]=4 1395 B10R1.171 CCN1CCOC(C1)(C)C 269982a_100000738910_100000204670 [0,1,0,0,0,1|2,0,0]=4 1396 B10R1.171 CCN1CCOC(C1)(C)C 34a_100000738910_100000210202 [0,1,0,0,0,1|2,0,0]=4 1397 B10R1.171 CNC1CCCC(C1)(C)C 270004a_106832991635_100000031663 [0,1,0,0,0,1|2,0,0]=4 1398 B10R1.171 CNC1CCNC(C1)(C)C 270004a_106832991635_100015191244 [0,1,0,0,0,1|2,0,0]=4 1399 B10R1.171 CNC1CCOC(C1)(C)C 2230a_100000696200_200000210301 [0,1,0,0,0,1|1,0,0]=3 1400 B10R1.171 CNC1CCOC(C1)(C)C 270004a_106832991635_100000755756 [0,1,0,0,0,1|1,0,0]=3 1401 B10R1.171 CNC1CCOC(C1)(C)C 34a_100102657272_100010191092 [0,1,0,0,0,1|1,0,0]=3 1402 B10R1.171 CNC1CCOC(C1)(C)C 7a_106832991635_100010191092 [0,1,0,0,0,1|1,0,0]=3 1403 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [0,1,0,0,0,1|2,0,0]=4 1404 B10R1.171 COC1CCOC(C1)(C)C 34a_100000693217_200000210301 [0,1,0,0,0,1|1,0,0]=3 1405 B10R1.171 COC1CCOC(C1)(C)C 34a_100138415774_100010191092 [0,1,0,0,0,1|1,0,0]=3 1406 B10R1.171 COC1CCOC(C1)(C)C 7a_100000693217_200000210301 [0,1,0,0,0,1|1,0,0]=3 1407 B10R1.171 CSC1CCOC(C1)(C)C 62a_100010191092_200000210301 [0,1,0,0,0,1|1,0,0]=3 1408 B10R1.171 CSC1CCOC(C1)(C)C 62a_200000210301_100010191092 [0,1,0,0,0,1|1,0,0]=3 1409 B10R1.33 CNC1CC(CC1C)(C)C 270004a_106832991635_100000720090 [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.444 CNC1CC(CC1(C)C)C 269862a_106832991636_100000042959 [0,2,0,0,0,0|2,0,0]=4 1411 B10R1.95 CC1(OCC(O1)CO[13CH3])C 34a_100000729170_200025704644 [0,2,0,0,0,0|0,0,0]=2 1412 B10R1.95 CC1(OCC(O1)CO[13CH3])C 7a_100000729170_200025704644 [0,2,0,0,0,0|0,0,0]=2 1413 B10R1.95 CC1(OCC(O1)CS[13CH3])C 62a_100000198056_200025704644 [0,2,0,0,0,0|0,0,0]=2 1414 B10R1.95 CC1(OCC(O1)CS[13CH3])C 62a_200025704644_100000198056 [0,2,0,0,0,0|0,0,0]=2 1415 B10R1.95 CC1(OC[C@@H](O1)CN[13CH3])C 34a_100015982057_200025704644 [0,2,0,0,0,0|0,0,0]=2 1416 B10R1.95 CC1(OC[C@@H](O1)CS[13CH3])C 62a_100015422573_200025704644 [0,2,0,0,0,0|0,0,0]=2 1417 B10R1.95 CC1(OC[C@@H](O1)CS[13CH3])C 62a_200025704644_100015422573 [0,2,0,0,0,0|0,0,0]=2 1418 B10R1.95 CCNC1CCC(C1)(C)C 270004a_100015525214_100000759959 [0,2,0,0,0,0|2,0,0]=4 1419 B10R1.95 CNCC1COC(O1)(C)C 2230a_106832991635_100009884615 [0,2,0,0,0,0|0,0,0]=2 1420 B10R1.95 CNC[C@H]1COC(O1)(C)C 2230a_106832991635_100015422573 [0,2,0,0,0,0|0,0,0]=2 1421 B10R1.95 CNC[C@H]1COC(O1)(C)C 270004a_106832991635_100009815026 [0,2,0,0,0,0|0,0,0]=2 1422 B10R1.95 CNC[C@H]1COC(O1)(C)C 34a_100015982057_200000210301 [0,2,0,0,0,0|0,0,0]=2 1423 B10R1.95 CNC[C@H]1COC(O1)(C)C 7a_106832991635_100015422573 [0,2,0,0,0,0|0,0,0]=2 1424 B10R1.95 COCC1COC(O1)(C)C 34a_100000729170_200000210301 [0,2,0,0,0,0|0,0,0]=2 1425 B10R1.95 COCC1COC(O1)(C)C 7a_100000729170_200000210301 [0,2,0,0,0,0|0,0,0]=2 1426 B10R1.95 CSCC1COC(O1)(C)C 62a_100000198056_200000210301 [0,2,0,0,0,0|0,0,0]=2 1427 B10R1.95 CSCC1COC(O1)(C)C 62a_200000210301_100000198056 [0,2,0,0,0,0|0,0,0]=2 1428 B10R1.95 CSC[C@H]1COC(O1)(C)C 62a_100015422573_200000210301 [0,2,0,0,0,0|0,0,0]=2 1429 B10R1.95 CSC[C@H]1COC(O1)(C)C 62a_200000210301_100015422573 [0,2,0,0,0,0|0,0,0]=2 1430 B10R1.359 CC(=O)C1COC(O1)(C)C 1458a_100015188449_200000210301 [0,2,0,0,0,0|0,0,0]=2 1431 B10R1.359 CC1(OCC(O1)C(=O)[13CH3])C 1458a_100015188449_200025704644 [0,2,0,0,0,0|0,0,0]=2 1432 B10R1.359 CN(C)C1CCC(C1)(C)C 270004a_100102631434_100000759959 [0,2,0,0,0,0|2,0,0]=4 1433 B10R1.43 CC1CCC(N1CF)(C)C 269982a_100015204717_100015361967 [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.43 CC1CCC(N1CF)(C)C 34a_100015204717_100015361967 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.43 CCN1C(CCC1(C)C)C 2230a_100015204717_100000210202 [0,2,0,0,0,0|2,0,0]=4 1436 B10R1.43 CCN1C(CCC1(C)C)C 269982a_100015204717_100000204670 [0,2,0,0,0,0|2,0,0]=4 1437 B10R1.43 CCN1C(CCC1(C)C)C 34a_100015204717_100000210202 [0,2,0,0,0,0|2,0,0]=4 1438 B8R1.20 CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000210206 [0,0,1,1,0,0|2,0,0]=4 1439 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000210206 [0,0,1,1,0,0|2,0,0]=4 1440 B8R1.20 CC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000210206 [0,0,1,1,0,0|2,0,0]=4 1441 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [0,0,1,1,0,0|2,0,0]=4 1442 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [0,0,1,1,0,0|2,0,0]=4 1443 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [0,0,1,1,0,0|2,0,0]=4 1444 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [0,0,1,1,0,0|2,0,0]=4 1445 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [0,0,1,1,0,0|2,0,0]=4 1446 B8R1.34 CC(C)NC1COC1 2230a_100016991112_100000210206 [0,0,1,1,0,0|1,0,0]=3 1447 B8R1.34 CC(C)NC1COC1 34a_100138425928_100009818527 [0,0,1,1,0,0|1,0,0]=3 1448 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,0,1,1,0,0|1,0,0]=3 1449 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,0,1,1,0,0|1,0,0]=3 1450 B8R1.34 CC(C)OC1COC1 34a_100000212225_100009818527 [0,0,1,1,0,0|0,0,0]=2 1451 B8R1.34 CC(C)OC1CSC1 7a_100000072292_100000210206 [0,0,1,1,0,0|0,1,0]=3 1452 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [0,0,1,1,0,0|1,1,0]=4 1453 B8R1.34 CC(C)SC1COC1 62a_100000210206_100009818527 [0,0,1,1,0,0|0,1,0]=3 1454 B8R1.34 CN(C)CC1COC1 2230a_100102631434_100010264016 [0,0,1,1,0,0|2,0,0]=4 1455 B8R1.34 CN(C)CC1COC1 269982a_100102631434_100010264016 [0,0,1,1,0,0|2,0,0]=4 1456 B8R1.40 C#C[C@@H](C)OC1CC1 34a_100009815206_100000211595 [0,0,1,1,0,0|1,0,1]=4 1457 B8R1.40 C=CC(C)OC1CC1 34a_100000695699_100000211595 [0,0,1,1,0,0|1,0,1]=4 1458 B8R1.40 CC(C#N)OC1CC1 34a_100011218135_100000211595 [0,0,1,1,0,0|1,0,1]=4 1459 B8R1.40 CC(CF)OC1CC1 34a_100016041109_100000211595 [0,0,1,1,0,0|1,0,0]=3 1460 B8R1.40 CC(CN)OC1CC1 34a_100000210904_100000211595 [0,0,1,1,0,0|1,0,0]=3 1461 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,0,1,1,0,0|1,0,0]=3 1462 B8R1.40 CC(CO)SC1CC1 62a_100012180447_100000211595 [0,0,1,1,0,0|0,1,0]=3 1463 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,0,1,1,0,0|2,0,0]=4 1464 B8R1.40 CCC(C)SC1CC1 62a_100000758301_100000211595 [0,0,1,1,0,0|1,1,0]=4 1465 B8R1.40 C[C@H](CO)SC1CC1 62a_100016084084_100000211595 [0,0,1,1,0,0|0,1,0]=3 1466 B8R1.42 CC(C)NC1(CC1)C 2230a_100000757604_100000210206 [0,0,1,1,0,0|2,0,0]=4 1467 B8R1.42 CC(C)OC1(CC1)C 7a_100011725673_100000210206 [0,0,1,1,0,0|1,0,0]=3 1468 B8R1.42 CN(C)CC1(CO1)C 269982a_100102631434_100000760498 [0,0,1,1,0,0|2,0,0]=4 1469 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,0,1,1,0,0|2,0,0]=4 1470 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,0,1,1,0,0|2,0,0]=4 1471 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,0,1,1,0,0|2,0,0]=4 1472 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,0,1,1,0,0|2,0,0]=4 1473 B8R1.23 CC(C)N1CC(C1)F 2230a_100000690557_100000210206 [0,0,1,1,0,0|2,0,0]=4 1474 B8R1.23 CC(C)N1CC(C1)F 269982a_100000690557_100000210206 [0,0,1,1,0,0|2,0,0]=4 1475 B8R1.23 CC(C)N1CC(C1)F 34a_100000690557_100000210206 [0,0,1,1,0,0|2,0,0]=4 1476 B8R1.23 CC(C)N1CC(C1)O 269982a_100000749847_100000210206 [0,0,1,1,0,0|1,0,0]=3 1477 B8R1.23 CC1CN(C1)C(C)C 2230a_100000702820_100000210206 [0,0,1,1,0,0|2,0,0]=4 1478 B8R1.23 CC1CN(C1)C(C)C 269982a_100000702820_100000210206 [0,0,1,1,0,0|2,0,0]=4 1479 B8R1.23 CC1CN(C1)C(C)C 34a_100000702820_100000210206 [0,0,1,1,0,0|2,0,0]=4 1480 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,1,1,0,0|1,0,1]=4 1481 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,1,1,0,0|0,0,2]=4 1482 B8R1.35 CC(Br)COC1CC1 34a_100012180447_100000211595 [0,0,1,1,0,0|1,0,0]=3 1483 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [0,0,1,1,0,0|2,0,0]=4 1484 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [0,0,1,1,0,0|2,0,0]=4 1485 B8R1.35 CC(C)COC1CC1 34a_100000210257_100000211595 [0,0,1,1,0,0|1,0,0]=3 1486 B8R1.35 CC(C)CSC1CC1 62a_100000210624_100000211595 [0,0,1,1,0,0|1,1,0]=4 1487 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [0,0,1,1,0,0|2,0,0]=4 1488 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [0,0,1,1,0,0|2,0,0]=4 1489 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [0,0,1,1,0,0|2,0,0]=4 1490 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [0,0,1,1,0,0|2,0,0]=4 1491 B8R1.35 CC(C)NCC1CO1 2230a_100138425928_100011216344 [0,0,1,1,0,0|1,0,0]=3 1492 B8R1.35 CC(C)NCC1CO1 34a_100138425928_102125554688 [0,0,1,1,0,0|1,0,0]=3 1493 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [0,0,1,1,0,0|1,0,0]=3 1494 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [0,0,1,1,0,0|1,0,0]=3 1495 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [0,0,1,1,0,0|0,0,0]=2 1496 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [0,0,1,1,0,0|0,0,0]=2 1497 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [0,0,1,1,0,0|1,1,0]=4 1498 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [0,0,1,1,0,0|1,1,0]=4 1499 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [0,0,1,1,0,0|0,1,0]=3 1500 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [0,0,1,1,0,0|0,1,0]=3 1501 B8R1.35 CC(C)SCC1CS1 62a_100000031435_100000210206 [0,0,1,1,0,0|0,2,0]=4 1502 B8R1.35 CC(C)SCC1CS1 62a_100000210206_100000031435 [0,0,1,1,0,0|0,2,0]=4 1503 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [0,0,1,1,0,0|0,1,0]=3 1504 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [0,0,1,1,0,0|0,1,0]=3 1505 B8R1.35 CC(F)COC1CC1 34a_100015925927_100000211595 [0,0,1,1,0,0|1,0,0]=3 1506 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,0,1,1,0,0|1,0,0]=3 1507 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,0,1,1,0,0|1,0,0]=3 1508 B8R1.35 CC(O)CSC1CC1 62a_100011218427_100000211595 [0,0,1,1,0,0|0,1,0]=3 1509 B8R1.35 CN(C)CCC1CO1 2230a_100102631434_100000732470 [0,0,1,1,0,0|2,0,0]=4 1510 B8R1.35 CN(C)CCC1CO1 269982a_100102631434_100000732470 [0,0,1,1,0,0|2,0,0]=4 1511 B8R1.35 C[C@@H](Cl)COC1CC1 34a_100016084084_100000211595 [0,0,1,1,0,0|1,0,0]=3 1512 B8R1.35 C[C@@H](N)COC1CC1 34a_100000737577_100000211595 [0,0,1,1,0,0|1,0,0]=3 1513 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,0,1,1,0,0|1,0,0]=3 1514 B8R1.35 C[C@@H](O)CSC1CC1 62a_100009817552_100000211595 [0,0,1,1,0,0|0,1,0]=3 1515 B8R1.35 FC(F)COC1CC1 34a_100000743014_100000211595 [0,0,1,1,0,0|2,0,0]=4 1516 B8R1.27 CC1(OC1CO[13CH3])C 34a_200010283642_200025704644 [0,0,1,1,0,0|2,0,0]=4 1517 B8R1.27 CC1(OC1CO[13CH3])C 7a_200010283642_200025704644 [0,0,1,1,0,0|2,0,0]=4 1518 B8R1.27 COCC1OC1(C)C 34a_200010283642_200000210301 [0,0,1,1,0,0|2,0,0]=4 1519 B8R1.27 COCC1OC1(C)C 7a_200010283642_200000210301 [0,0,1,1,0,0|2,0,0]=4 1520 B8R1.41 CC1(CC1)OCCF 7a_100011725673_100011217306 [0,0,1,1,0,0|2,0,0]=4 1521 B8R1.41 CC1(CC1)OCCO 7a_100011725673_100000211926 [0,0,1,1,0,0|2,0,0]=4 1522 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,0,1,1,0,0|2,0,0]=4 1523 B8R1.41 CCCOC1(CC1)C 7a_100011725673_100000210303 [0,0,1,1,0,0|1,0,0]=3 1524 B8R1.41 CCNCC1(CC1)O 2230a_100011936951_100000210202 [0,0,1,1,0,0|2,0,0]=4 1525 B8R1.41 CCOCC1(CO1)C 34a_100121572206_100000760498 [0,0,1,1,0,0|2,0,0]=4 1526 B8R1.41 CCSCC1(CO1)C 62a_100000210202_100000760498 [0,0,1,1,0,0|2,0,0]=4 1527 B8R1.41 CCSCC1(CO1)C 62a_100000760498_100000210202 [0,0,1,1,0,0|2,0,0]=4 1528 B8R1.55 CC(C)(C)N1CCC1 269982a_100000754969_100000210625 [0,0,1,1,0,0|2,0,0]=4 1529 B8R1.56 CC(C)(C)NC1CC1 34a_100000212008_100000210625 [0,0,1,1,0,0|2,0,0]=4 1530 B8R1.56 CC(C)(C)OC1CC1 34a_100015890283_100000211595 [0,0,1,1,0,0|1,0,0]=3 1531 B8R1.56 CC(C)(C)SC1CC1 62a_100000211941_100000211595 [0,0,1,1,0,0|1,1,0]=4 1532 B8R1.28 CC(C)(N[13CH3])C1CC1 2230a_100000695267_200025704644 [0,0,1,1,0,0|2,0,0]=4 1533 B8R1.28 CNC(C)(C)C1CC1 2230a_100000695267_200000210301 [0,0,1,1,0,0|2,0,0]=4 1534 B8R1.66 CC1(CCC1)OCF 34a_100000759064_100015361967 [0,0,1,1,0,0|2,0,0]=4 1535 B8R1.66 CC1(CCC1)OCF 7a_100000759064_100015361967 [0,0,1,1,0,0|2,0,0]=4 1536 B8R1.66 CCNC1(CCC1)C 2230a_100000692455_100000210202 [0,0,1,1,0,0|2,0,0]=4 1537 B8R1.66 CCNC1(CCC1)C 34a_100000692455_100000210202 [0,0,1,1,0,0|2,0,0]=4 1538 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,0,1,1,0,0|1,0,0]=3 1539 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,0,1,1,0,0|1,0,0]=3 1540 B8R1.66 CCOC1(CSC1)C 7a_100016018533_100000210202 [0,0,1,1,0,0|2,0,0]=4 1541 B8R1.82 CCCC1(CC1)NC 2230a_100015185929_200000210301 [0,0,1,1,0,0|2,0,0]=4 1542 B8R1.82 CCCC1(CC1)N[13CH3] 2230a_100015185929_200025704644 [0,0,1,1,0,0|2,0,0]=4 1543 B8R1.82 CCNC1(CC1)CC 2230a_100000732774_100000210202 [0,0,1,1,0,0|2,0,0]=4 1544 B8R1.82 CCOC1(CC1)C#N 34a_100121572206_100009889376 [0,0,1,1,0,0|2,0,0]=4 1545 B8R2.53 CN1CC2(C1)CC2 2230a_100015196877_200000210301 [0,0,0,1,1,0|2,0,0]=4 1546 B8R2.53 CN1CC2(C1)CC2 269982a_100015196877_200000210301 [0,0,0,1,1,0|2,0,0]=4 1547 B8R2.53 CN1CC2(C1)CC2 34a_100015196877_200000210301 [0,0,0,1,1,0|2,0,0]=4 1548 B8R2.53 [13CH3]N1CC2(C1)CC2 2230a_100015196877_200025704644 [0,0,0,1,1,0|2,0,0]=4 1549 B8R2.53 [13CH3]N1CC2(C1)CC2 269982a_100015196877_200025704644 [0,0,0,1,1,0|2,0,0]=4 1550 B8R2.53 [13CH3]N1CC2(C1)CC2 34a_100015196877_200025704644 [0,0,0,1,1,0|2,0,0]=4 1551 B10R2.534 CN1CCOC2(C1)CC2 2230a_100016993663_200000210301 [0,0,0,1,0,1|2,0,0]=4 1552 B10R2.534 CN1CCOC2(C1)CC2 269982a_100016993663_200000210301 [0,0,0,1,0,1|2,0,0]=4 1553 B10R2.534 [13CH3]N1CCOC2(C1)CC2 2230a_100016993663_200025704644 [0,0,0,1,0,1|2,0,0]=4 1554 B10R2.534 [13CH3]N1CCOC2(C1)CC2 269982a_100016993663_200025704644 [0,0,0,1,0,1|2,0,0]=4 1555 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,1,0,1,0|1,0,1]=4 1556 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,0,1,0,1,0|2,0,0]=4 1557 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,1,0,1,0|2,0,0]=4 1558 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [0,0,1,0,1,0|2,0,0]=4 1559 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,0,1,0,1,0|1,0,0]=3 1560 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,0,1,0,1,0|1,0,0]=3 1561 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,0,1,0,1,0|1,0,0]=3 1562 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,0,1,0,1,0|1,0,0]=3 1563 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,0,1,0,1,0|1,0,0]=3 1564 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,1,0,1,0|2,0,0]=4 1565 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,1,0,1,0|2,0,0]=4 1566 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,1,0,1,0|2,0,0]=4 1567 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,1,0,1,0|2,0,0]=4 1568 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,1,0,1,0|2,0,0]=4 1569 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,1,0,1,0|2,0,0]=4 1570 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,1,0,1,0|2,0,0]=4 1571 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,1,0,1,0|2,0,0]=4 1572 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,1,0,1,0|2,0,0]=4 1573 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,1,0,1,0|2,0,0]=4 1574 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,1,0,1,0|2,0,0]=4 1575 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,1,0,1,0|2,0,0]=4 1576 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,1,0,1,0|2,0,0]=4 1577 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,0,1,0,1,0|2,0,0]=4 1578 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,1,0,1,0|2,0,0]=4 1579 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,0,1,0,1,0|1,0,0]=3 1580 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,0,1,0,1,0|1,0,1]=4 1581 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,0,1,0,1,0|1,0,1]=4 1582 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,0,1,0,1,0|2,0,0]=4 1583 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,0,1,0,1,0|2,0,0]=4 1584 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,0,1,0,1,0|2,0,0]=4 1585 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,0,1,0|2,0,0]=4 1586 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,0,1,0|2,0,0]=4 1587 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,0,1,0|2,0,0]=4 1588 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,0,1,0|2,0,0]=4 1589 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,0,1,0|2,0,0]=4 1590 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,0,1,0|2,0,0]=4 1591 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,0,1,0|2,0,0]=4 1592 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,0,1,0|2,0,0]=4 1593 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,0,1,0|2,0,0]=4 1594 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,0,1,0|2,0,0]=4 1595 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,1,0,0,1|1,0,1]=4 1596 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,1,0,0,1|1,0,1]=4 1597 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,1,0,0,1|1,0,1]=4 1598 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,1,0,0,1|1,0,1]=4 1599 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,1,0,0,1|0,0,2]=4 1600 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,1,0,0,1|0,0,2]=4 1601 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,1,0,0,1|1,0,1]=4 1602 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,1,0,0,1|1,0,1]=4 1603 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,1,0,0,1|0,0,2]=4 1604 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,1,0,0,1|0,0,2]=4 1605 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,1,0,0,1|0,0,2]=4 1606 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,1,0,0,1|0,0,2]=4 1607 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,1,0,0,1|0,0,2]=4 1608 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,1,0,0,1|1,0,1]=4 1609 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,1,0,0,1|1,0,1]=4 1610 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,1,0,0,1|0,0,2]=4 1611 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,0,1,0,0,1|1,0,0]=3 1612 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,0,1,0,0,1|1,0,0]=3 1613 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,0,1,0,0,1|2,0,0]=4 1614 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,0,1,0,0,1|2,0,0]=4 1615 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,0,1,0,0,1|1,0,0]=3 1616 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,0,1,0,0,1|1,0,0]=3 1617 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,0,1,0,0,1|1,0,0]=3 1618 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,1,0,0,1|1,1,0]=4 1619 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,1,0,0,1|1,1,0]=4 1620 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,0,1,0,0,1|2,0,0]=4 1621 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,0,1,0,0,1|2,0,0]=4 1622 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,0,1,0,0,1|2,0,0]=4 1623 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,1,0,0,1|1,0,0]=3 1624 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,1,0,0,1|1,0,0]=3 1625 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,1,0,0,1|1,0,0]=3 1626 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,1,0,0,1|1,0,0]=3 1627 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,1,0,0,1|1,0,0]=3 1628 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,1,0,0,1|1,0,0]=3 1629 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,1,0,0,1|1,0,0]=3 1630 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,1,0,0,1|0,0,2]=4 1631 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,0,1,0,0,1|1,0,0]=3 1632 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,0,1,0,0,1|1,0,0]=3 1633 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,0,1,0,0,1|1,0,0]=3 1634 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,1,0,0,1|0,0,0]=2 1635 B8R0.28 CC(C)COCC(F)F 34a_100000210257_100011934356 [0,0,1,0,0,1|2,0,0]=4 1636 B8R0.28 CC(C)COCC(F)F 34a_100000743014_100000210624 [0,0,1,0,0,1|2,0,0]=4 1637 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,0,1,0,0,1|1,0,0]=3 1638 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,0,1,0,0,1|1,0,0]=3 1639 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,1,0,0,1|0,0,0]=2 1640 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,0,1,0,0,1|1,1,0]=4 1641 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,1,0,0,1|0,1,0]=3 1642 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,1,0,0,1|0,1,0]=3 1643 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,1,0,0,1|0,1,0]=3 1644 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,1,0,0,1|0,1,0]=3 1645 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [0,0,1,0,0,1|1,0,0]=3 1646 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [0,0,1,0,0,1|1,0,0]=3 1647 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,1,0,0,1|1,0,1]=4 1648 B8R0.28 CC(C)OCCC(F)F 34a_100103093639_100000210206 [0,0,1,0,0,1|2,0,0]=4 1649 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,0,1,0,0,1|2,0,0]=4 1650 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,0,1,0,0,1|2,0,0]=4 1651 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,0,1,0,0,1|1,0,0]=3 1652 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [0,0,1,0,0,1|1,0,0]=3 1653 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [0,0,1,0,0,1|1,0,0]=3 1654 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [0,0,1,0,0,1|1,0,0]=3 1655 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,0,1,0,0,1|1,0,0]=3 1656 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,0,1,0,0,1|2,0,0]=4 1657 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,0,1,0,0,1|2,0,0]=4 1658 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,1,0,0,1|1,0,0]=3 1659 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,1,0,0,1|1,0,0]=3 1660 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,1,0,0,1|1,0,0]=3 1661 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,1,0,0,1|0,0,0]=2 1662 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,1,0,0,1|0,1,0]=3 1663 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,1,0,0,1|0,1,0]=3 1664 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,0,1,0,0,1|2,0,0]=4 1665 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,0,1,0,0,1|2,0,0]=4 1666 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,0,1,0,0,1|2,0,0]=4 1667 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,0,1,0,0,1|2,0,0]=4 1668 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,0,1,0,0,1|1,0,0]=3 1669 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,0,1,0,0,1|1,0,0]=3 1670 B8R0.28 CC(O)COCC(F)F 34a_100000743014_100011218427 [0,0,1,0,0,1|2,0,0]=4 1671 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,0,1,0,0,1|1,0,0]=3 1672 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,0,1,0,0,1|1,0,0]=3 1673 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,0,1,0,0,1|1,1,0]=4 1674 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,0,1,0,0,1|1,1,0]=4 1675 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,0,1,0,0,1|1,1,0]=4 1676 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,0,1,0,0,1|1,0,0]=3 1677 B8R0.28 C[C@@H](O)COCC(F)F 34a_100000743014_100009817552 [0,0,1,0,0,1|2,0,0]=4 1678 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,0,1,0,0,1|1,0,0]=3 1679 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,0,1,0,0,1|1,1,0]=4