0 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.4 COC(F)(F)F 34a_100138415774_200103152311 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|3,0,0]=4 8 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.5 CNCS(=O)(=O)[O-] 34a_100102657272_100009817235 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.5 CNNS(=O)(=O)C 40a_100016993582_100000738038 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.5 COCS(=O)(=O)[O-] 34a_100138415774_100009817235 [0,1,0,0,0,0|0,0,1]=2 22 B6R0.5 CSCS(=O)(=O)N 62a_100000741382_200000210301 [0,1,0,0,0,0|1,1,0]=3 23 B6R0.5 CSCS(=O)(=O)N 62a_200000210301_100000741382 [0,1,0,0,0,0|1,1,0]=3 24 B6R0.5 CSCS(=O)(=O)[O-] 62a_100009817235_200000210301 [0,1,0,0,0,0|0,1,1]=3 25 B6R0.5 CSCS(=O)(=O)[O-] 62a_200000210301_100009817235 [0,1,0,0,0,0|0,1,1]=3 26 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_100000741382_200025704644 [0,1,0,0,0,0|1,1,0]=3 27 B6R0.5 [13CH3]SCS(=O)(=O)N 62a_200025704644_100000741382 [0,1,0,0,0,0|1,1,0]=3 28 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_100009817235_200025704644 [0,1,0,0,0,0|0,1,1]=3 29 B6R0.5 [13CH3]SCS(=O)(=O)[O-] 62a_200025704644_100009817235 [0,1,0,0,0,0|0,1,1]=3 30 B6R0.7 CN(C)S(=O)(=O)C 40a_100102631434_100000738038 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.8 CNS(=O)(=O)CCl 270084a_100102657272_100000031410 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.8 CNS(=O)(=O)CCl 274078a_100102657272_100000031410 [0,1,0,0,0,0|2,0,0]=3 36 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|2,0,0]=4 37 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|2,0,0]=4 41 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.8 C#CCNS(=O)(=O)C 40a_100000212058_100000738038 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.8 C=CCNS(=O)(=O)C 40a_100020586998_100000738038 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.8 CCNNS(=O)(=O)C 40a_100000756455_100000738038 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.8 CCOCS(=O)(=O)[O-] 34a_100121572206_100009817235 [0,2,0,0,0,0|0,0,1]=3 62 B7R0.8 CCSCS(=O)(=O)N 62a_100000210202_100000741382 [0,2,0,0,0,0|1,1,0]=4 63 B7R0.8 CCSCS(=O)(=O)N 62a_100000741382_100000210202 [0,2,0,0,0,0|1,1,0]=4 64 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100000210202_100009817235 [0,2,0,0,0,0|0,1,1]=4 65 B7R0.8 CCSCS(=O)(=O)[O-] 62a_100009817235_100000210202 [0,2,0,0,0,0|0,1,1]=4 66 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.8 CNCCS(=O)(=O)N 2230a_100000738205_200000210301 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.8 CNCCS(=O)(=O)N 34a_100000738205_200000210301 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.8 CNCCS(=O)(=O)[O-] 2230a_106832991635_100000737633 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.8 CNCCS(=O)(=O)[O-] 34a_100102657272_100000762736 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.8 COCCS(=O)(=O)N 34a_100012334274_200000210301 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.8 COCCS(=O)(=O)[O-] 34a_100138415774_100000762736 [0,2,0,0,0,0|0,0,1]=3 80 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [0,2,0,0,0,0|1,1,0]=4 85 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [0,2,0,0,0,0|1,1,0]=4 86 B7R0.8 CS(=O)(=O)NCCF 40a_100000724931_100000738038 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.8 CS(=O)(=O)NCCO 40a_100000210304_100000738038 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [0,2,0,0,0,0|1,1,0]=4 89 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [0,2,0,0,0,0|1,1,0]=4 90 B7R0.8 CSCCS(=O)(=O)[O-] 62a_100000762736_200000210301 [0,2,0,0,0,0|0,1,1]=4 91 B7R0.8 CSCCS(=O)(=O)[O-] 62a_200000210301_100000762736 [0,2,0,0,0,0|0,1,1]=4 92 B7R0.8 NS(=O)(=O)CSCF 62a_100000741382_100015361967 [0,2,0,0,0,0|1,1,0]=4 93 B7R0.8 NS(=O)(=O)CSCF 62a_100015361967_100000741382 [0,2,0,0,0,0|1,1,0]=4 94 B7R0.8 O=S(=O)([O-])CSCF 62a_100009817235_100015361967 [0,2,0,0,0,0|0,1,1]=4 95 B7R0.8 O=S(=O)([O-])CSCF 62a_100015361967_100009817235 [0,2,0,0,0,0|0,1,1]=4 96 B7R0.8 [13CH3]NCCS(=O)(=O)N 2230a_100000738205_200025704644 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.8 [13CH3]NCCS(=O)(=O)N 34a_100000738205_200025704644 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.8 [13CH3]OCCS(=O)(=O)N 34a_100012334274_200025704644 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_100000762736_200025704644 [0,2,0,0,0,0|0,1,1]=4 100 B7R0.8 [13CH3]SCCS(=O)(=O)[O-] 62a_200025704644_100000762736 [0,2,0,0,0,0|0,1,1]=4 101 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.9 CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.9 CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.9 CC(=O)NS(=O)(=O)C 2740a_100000171171_100015343762 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.11 C=CCS(=O)(=O)NC 270084a_100102657272_100000751117 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.11 C=CCS(=O)(=O)NC 274078a_100102657272_100000751117 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.11 CCNS(=O)(=O)CCl 270084a_100015525214_100000031410 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.11 CCNS(=O)(=O)CCl 274078a_100015525214_100000031410 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.11 CCS(=O)(=O)NNC 40a_100016993582_100000053943 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.11 CNS(=O)(=O)CCBr 270084a_100102657272_100000731045 [0,2,0,0,0,0|2,0,0]=4 118 B7R0.11 CNS(=O)(=O)CCBr 274078a_100102657272_100000731045 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.11 CNS(=O)(=O)CCCl 270084a_100102657272_100000184613 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.11 CNS(=O)(=O)CCCl 274078a_100102657272_100000184613 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.14 CCN(C)S(=O)(=O)C 40a_100000225621_100000738038 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.13 CCS(=O)(=O)N(C)C 270084a_100102631434_100000211323 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.13 CCS(=O)(=O)N(C)C 274078a_100102631434_100000211323 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.13 CCS(=O)(=O)N(C)C 40a_100102631434_100000053943 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.13 CN(C)S(=O)(=O)CCl 270084a_100102631434_100000031410 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.13 CN(C)S(=O)(=O)CCl 274078a_100102631434_100000031410 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.13 CNS(=O)(=O)C(C)C 270084a_100102657272_100000742656 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.13 CNS(=O)(=O)C(C)C 274078a_100102657272_100000742656 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.13 CNS(=O)(=O)C(Cl)Cl 270084a_100102657272_100000034607 [0,2,0,0,0,0|2,0,0]=4 130 B7R0.13 CNS(=O)(=O)C(F)F 270084a_100102657272_100000737280 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.13 CNS(=O)(=O)C(F)F 274078a_100102657272_100000737280 [0,2,0,0,0,0|2,0,0]=4