0 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.13 CNC(F)(F)C(F)F 34a_100102657272_100000034128 [0,0,0,0,0,0|1,2,0]=3 6 B7R0.13 CNS(=O)(=O)C(Cl)Cl 270084a_100102657272_100000034607 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.13 COC(F)(F)C(F)F 34a_100138415774_100000034128 [0,0,0,0,0,0|0,2,0]=2 10 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,0,0,0,0,0|2,1,1]=4 11 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,0,0,0,0,0|2,1,1]=4 12 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [0,0,0,0,0,0|2,1,1]=4 13 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [0,0,0,0,0,0|2,1,1]=4 14 B7R0.13 CSC(F)(F)C(F)F 62a_100000034128_200000210301 [0,0,0,0,0,0|0,3,0]=3 15 B7R0.13 CSC(F)(F)C(F)F 62a_200000210301_100000034128 [0,0,0,0,0,0|0,3,0]=3 16 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,0,0,0,0,0|2,1,1]=4 17 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,0,0,0,0,0|2,1,1]=4 18 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [0,0,0,0,0,0|2,1,1]=4 19 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [0,0,0,0,0,0|2,1,1]=4 20 B7R0.13 [13CH3]SC(F)(F)C(F)F 62a_100000034128_200025704644 [0,0,0,0,0,0|0,3,0]=3 21 B7R0.13 [13CH3]SC(F)(F)C(F)F 62a_200025704644_100000034128 [0,0,0,0,0,0|0,3,0]=3 22 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [1,0,0,0,0,0|1,1,1]=4 27 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [1,0,0,0,0,0|1,1,1]=4 29 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [1,0,0,0,0,0|1,1,1]=4 30 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.8 CSC(F)(F)CO 62a_100011217949_200000210301 [1,0,0,0,0,0|1,1,0]=3 35 B6R0.8 CSC(F)(F)CO 62a_200000210301_100011217949 [1,0,0,0,0,0|1,1,0]=3 36 B6R0.8 [13CH3]SC(F)(F)CO 62a_100011217949_200025704644 [1,0,0,0,0,0|1,1,0]=3 37 B6R0.8 [13CH3]SC(F)(F)CO 62a_200025704644_100011217949 [1,0,0,0,0,0|1,1,0]=3 38 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.12 CCOC(F)(F)C(F)F 34a_100121572206_100000034128 [0,1,0,0,0,0|0,2,0]=3 40 B8R0.12 CCSC(F)(F)C(F)F 62a_100000034128_100000210202 [0,1,0,0,0,0|0,3,0]=4 41 B8R0.12 CCSC(F)(F)C(F)F 62a_100000210202_100000034128 [0,1,0,0,0,0|0,3,0]=4 42 B8R0.12 CNCC(F)(F)C(F)F 2230a_106832991635_100000729011 [0,1,0,0,0,0|1,2,0]=4 43 B8R0.12 CNCC(F)(F)C(F)F 34a_100102657272_100000729011 [0,1,0,0,0,0|1,2,0]=4 44 B8R0.12 COCC(F)(F)C(F)F 34a_100000210902_200000210301 [0,1,0,0,0,0|0,2,0]=3 45 B8R0.12 COCC(F)(F)C(F)F 34a_100138415774_100000729011 [0,1,0,0,0,0|0,2,0]=3 46 B8R0.12 CSCC(F)(F)C(F)F 62a_100000729011_200000210301 [0,1,0,0,0,0|0,3,0]=4 47 B8R0.12 CSCC(F)(F)C(F)F 62a_200000210301_100000729011 [0,1,0,0,0,0|0,3,0]=4 48 B8R0.12 FCSC(F)(F)C(F)F 62a_100000034128_100015361967 [0,1,0,0,0,0|0,3,0]=4 49 B8R0.12 FCSC(F)(F)C(F)F 62a_100015361967_100000034128 [0,1,0,0,0,0|0,3,0]=4 50 B8R0.12 [13CH3]OCC(F)(F)C(F)F 34a_100000210902_200025704644 [0,1,0,0,0,0|0,2,0]=3 51 B8R0.12 [13CH3]SCC(F)(F)C(F)F 62a_100000729011_200025704644 [0,1,0,0,0,0|0,3,0]=4 52 B8R0.12 [13CH3]SCC(F)(F)C(F)F 62a_200025704644_100000729011 [0,1,0,0,0,0|0,3,0]=4 53 B8R0.13 CNC(F)C(F)(F)OC 34a_100102657272_100000036909 [0,1,0,0,0,0|1,1,0]=3 54 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.13 COC(F)(F)C(F)SC 62a_100000036909_200000210301 [0,1,0,0,0,0|1,1,0]=3 56 B8R0.13 COC(F)(F)C(F)SC 62a_200000210301_100000036909 [0,1,0,0,0,0|1,1,0]=3 57 B8R0.13 COC(F)(F)C(F)S[13CH3] 62a_100000036909_200025704644 [0,1,0,0,0,0|1,1,0]=3 58 B8R0.13 COC(F)(F)C(F)S[13CH3] 62a_200025704644_100000036909 [0,1,0,0,0,0|1,1,0]=3 59 B8R0.13 COC(F)C(F)(F)OC 34a_100138415774_100000036909 [0,1,0,0,0,0|1,1,0]=3 60 B8R0.17 CNC(F)(F)C(F)(F)F 34a_100102657272_200000742636 [0,1,0,0,0,0|1,2,0]=4 61 B8R0.17 COC(F)(F)C(F)(F)F 34a_100138415774_200000742636 [0,1,0,0,0,0|0,2,0]=3 62 B8R0.17 CSC(F)(F)C(F)(F)F 62a_200000210301_200000742636 [0,1,0,0,0,0|0,3,0]=4 63 B8R0.17 CSC(F)(F)C(F)(F)F 62a_200000742636_200000210301 [0,1,0,0,0,0|0,3,0]=4 64 B8R0.17 [13CH3]SC(F)(F)C(F)(F)F 62a_200000742636_200025704644 [0,1,0,0,0,0|0,3,0]=4 65 B8R0.17 [13CH3]SC(F)(F)C(F)(F)F 62a_200025704644_200000742636 [0,1,0,0,0,0|0,3,0]=4 66 B8R0.37 CC(=O)C(F)(F)C(F)F 1458a_100000011665_200000210301 [0,1,0,0,0,0|1,2,0]=4 67 B8R0.37 [13CH3]C(=O)C(F)(F)C(F)F 1458a_100000011665_200025704644 [0,1,0,0,0,0|1,2,0]=4 68 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|1,1,0]=4 69 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|1,1,0]=4 71 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|1,1,0]=4 72 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|1,1,0]=4 75 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [2,0,0,0,0,0|0,2,0]=4 77 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [2,0,0,0,0,0|0,2,0]=4 78 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [2,0,0,0,0,0|0,2,0]=4 84 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [2,0,0,0,0,0|1,1,0]=4 85 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [2,0,0,0,0,0|1,1,0]=4 86 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [2,0,0,0,0,0|1,1,0]=4 91 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [2,0,0,0,0,0|1,1,0]=4 92 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|2,0,0]=4 94 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.4 CNC(F)(F)F 34a_100102657272_200103152311 [2,0,0,0,0,0|1,1,0]=4 97 B5R0.4 CNC(F)(F)F 7a_106832991635_200000243211 [2,0,0,0,0,0|1,1,0]=4 98 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.4 COC(F)(F)F 34a_100138415774_200103152311 [2,0,0,0,0,0|0,1,0]=3 102 B5R0.4 CSC(F)(F)F 62a_200000210301_200103152311 [2,0,0,0,0,0|0,2,0]=4 103 B5R0.4 CSC(F)(F)F 62a_200000243211_200000210301 [2,0,0,0,0,0|0,2,0]=4 104 B5R0.4 [13CH3]SC(F)(F)F 62a_200000243211_200025704644 [2,0,0,0,0,0|0,2,0]=4 105 B5R0.4 [13CH3]SC(F)(F)F 62a_200025704644_200103152311 [2,0,0,0,0,0|0,2,0]=4 106 B7R0.14 COC(F)C(F)(F)F 34a_100138415774_200000036121 [1,1,0,0,0,0|0,2,0]=4 107 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.11 CC(C)(CCl)OCF 7a_100000764493_100015361967 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.11 CCSC(F)(F)CO 62a_100000210202_100011217949 [1,1,0,0,0,0|1,1,0]=4 111 B7R0.11 CCSC(F)(F)CO 62a_100011217949_100000210202 [1,1,0,0,0,0|1,1,0]=4 112 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.11 COCC(F)(F)CN 34a_100000703232_200000210301 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.11 OCC(F)(F)SCF 62a_100011217949_100015361967 [1,1,0,0,0,0|1,1,0]=4 115 B7R0.11 OCC(F)(F)SCF 62a_100015361967_100011217949 [1,1,0,0,0,0|1,1,0]=4 116 B7R0.11 [13CH3]OCC(F)(F)CN 34a_100000703232_200025704644 [1,1,0,0,0,0|1,0,0]=3 117 B9R0.16 CCOC(F)(F)C(F)(F)F 34a_100121572206_200000742636 [0,2,0,0,0,0|0,2,0]=4 118 B9R0.16 COCC(F)(F)C(F)(F)F 34a_100000211782_200000210301 [0,2,0,0,0,0|0,2,0]=4 119 B9R0.16 COCC(F)(F)C(F)(F)F 34a_100138415774_100000034487 [0,2,0,0,0,0|0,2,0]=4 120 B9R0.16 [13CH3]OCC(F)(F)C(F)(F)F 34a_100000211782_200025704644 [0,2,0,0,0,0|0,2,0]=4 121 B9R0.51 C#CCOC(F)(F)C(F)F 34a_100000210247_100000034128 [0,2,0,0,0,0|0,2,0]=4 122 B9R0.51 C=CCOC(F)(F)C(F)F 34a_200000210373_100000034128 [0,2,0,0,0,0|0,2,0]=4 123 B9R0.51 CCCOC(F)(F)C(F)F 34a_100000210258_100000034128 [0,2,0,0,0,0|0,2,0]=4 124 B9R0.51 CCOCC(F)(F)C(F)F 34a_100000210902_100000210202 [0,2,0,0,0,0|0,2,0]=4 125 B9R0.51 CCOCC(F)(F)C(F)F 34a_100121572206_100000729011 [0,2,0,0,0,0|0,2,0]=4 126 B9R0.51 COCCC(F)(F)C(F)F 34a_100138415774_100009813682 [0,2,0,0,0,0|0,2,0]=4 127 B9R0.51 COCSC(F)(F)C(F)F 62a_100000034128_100000766300 [0,2,0,0,0,0|0,2,0]=4 128 B9R0.51 COCSC(F)(F)C(F)F 62a_100000766300_100000034128 [0,2,0,0,0,0|0,2,0]=4 129 B9R0.51 FC(F)C(F)(F)OCCBr 34a_100000211926_100000034128 [0,2,0,0,0,0|0,2,0]=4 130 B9R0.51 FCOCC(F)(F)C(F)F 34a_100000210902_100015361967 [0,2,0,0,0,0|0,2,0]=4 131 B9R0.51 NCCOC(F)(F)C(F)F 34a_100000210304_100000034128 [0,2,0,0,0,0|0,2,0]=4 132 B9R0.60 CCOC(F)(F)C(F)NC 34a_100102657272_100000036135 [0,2,0,0,0,0|1,1,0]=4 133 B9R0.60 CCOC(F)(F)C(F)OC 34a_100138415774_100000036135 [0,2,0,0,0,0|1,1,0]=4 134 B9R0.60 CCOC(F)(F)C(F)SC 62a_100000036135_200000210301 [0,2,0,0,0,0|1,1,0]=4 135 B9R0.60 CCOC(F)(F)C(F)SC 62a_200000210301_100000036135 [0,2,0,0,0,0|1,1,0]=4 136 B9R0.60 CCOC(F)(F)C(F)S[13CH3] 62a_100000036135_200025704644 [0,2,0,0,0,0|1,1,0]=4 137 B9R0.60 CCOC(F)(F)C(F)S[13CH3] 62a_200025704644_100000036135 [0,2,0,0,0,0|1,1,0]=4 138 B9R0.19 CCOC(F)C(F)(F)OC 34a_100121572206_100000036909 [0,2,0,0,0,0|1,1,0]=4 139 B9R0.19 CCSC(F)C(F)(F)OC 62a_100000036909_100000210202 [0,2,0,0,0,0|1,1,0]=4 140 B9R0.19 CCSC(F)C(F)(F)OC 62a_100000210202_100000036909 [0,2,0,0,0,0|1,1,0]=4 141 B9R0.19 COC(F)(F)C(F)SCF 62a_100000036909_100015361967 [0,2,0,0,0,0|0,2,0]=4 142 B9R0.19 COC(F)(F)C(F)SCF 62a_100015361967_100000036909 [0,2,0,0,0,0|0,2,0]=4 143 B9R0.31 CCC(F)(F)C(F)(F)OC 34a_100138415774_100009813514 [0,2,0,0,0,0|0,2,0]=4 144 B9R0.31 COC(F)(F)C(F)(F)CO 34a_100138415774_100000111601 [0,2,0,0,0,0|0,2,0]=4