0 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,0,0,0,0,0|1,1,0]=2 1 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,0,0,0,0,0|1,1,0]=2 2 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,0,0,0,0,0|1,1,0]=2 3 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,0,0,0,0,0|1,1,0]=2 4 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,0,0,0,0,0|1,1,0]=2 5 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,0,0,0,0,0|1,1,0]=2 6 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,0,0,0,0,0|1,1,0]=2 7 B5R0.4 CNS(=O)(=O)C 40a_100102657272_100000738038 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,0,0,0,0,0|1,1,0]=2 9 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,0,0,0,0,0|1,1,0]=2 10 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,0,0,0,0,0|1,1,0]=2 11 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,0,0,0,0,0|1,1,0]=2 12 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,0,0,0,0,0|1,1,0]=2 13 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,1,0]=4 14 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|2,1,0]=4 15 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,1,0]=3 16 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,1,0]=3 17 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,1,0]=3 18 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,1,0]=3 19 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,1,0]=3 20 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,1,0]=3 21 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,1,0]=3 22 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,1,0]=3 23 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|1,0,0]=2 27 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|1,0,0]=2 29 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,1,0]=4 31 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,1,0]=4 32 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,1,0]=4 33 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,1,0]=4 34 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,1,0]=3 35 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,1,0]=3 36 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,1,0]=3 37 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,1,0]=3 38 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,1,0]=3 39 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,1,0]=3 40 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,1,0]=3 41 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,1,0]=3 42 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,1,0]=3 43 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|2,1,0]=4 44 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,1,0,0,0,0|0,1,0]=2 45 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,1,0,0,0,0|0,1,0]=2 46 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,1,0,0,0,0|0,1,0]=2 47 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,1,0,0,0,0|1,1,0]=3 48 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,1,0,0,0,0|1,1,0]=3 49 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,1,0,0,0,0|1,1,0]=3 50 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,1,0,0,0,0|1,1,0]=3 51 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,1,0,0,0,0|1,1,0]=3 52 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,1,0,0,0,0|1,1,0]=3 53 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,1,0,0,0,0|1,1,0]=3 54 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,1,0,0,0,0|1,1,0]=3 55 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,1,0,0,0,0|1,1,0]=3 56 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,1,0,0,0,0|1,1,0]=3 57 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,1,0,0,0,0|1,1,0]=3 58 B6R0.5 CC(F)(F)CO[13CH3] 34a_100000068830_200025704644 [0,1,0,0,0,0|2,1,0]=4 59 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,1,0,0,0,0|0,1,0]=2 60 B6R0.5 CCNS(=O)(=O)C 40a_100015525214_100000738038 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,1,0,0,0,0|0,1,0]=2 62 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,1,0,0,0,0|0,1,0]=2 63 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,1,0,0,0,0|0,1,0]=2 64 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,1,0,0,0,0|0,1,0]=2 65 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,1,0,0,0,0|0,1,0]=2 66 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,1,0,0,0,0|0,1,0]=2 67 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,1,0,0,0,0|0,1,0]=2 68 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,1,0,0,0,0|0,1,0]=2 69 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,1,0,0,0,0|1,1,0]=3 70 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,1,0,0,0,0|1,1,0]=3 71 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,1,0,0,0,0|1,1,0]=3 72 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,1,0,0,0,0|1,1,0]=3 73 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,1,0,0,0,0|1,1,0]=3 74 B6R0.5 CNC[Si](C)(C)C 2230a_106832991635_100000037933 [0,1,0,0,0,0|0,0,0]=1 75 B6R0.5 CNC[Si](C)(C)C 7a_106832991635_100000233785 [0,1,0,0,0,0|0,0,0]=1 76 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,1,0,0,0,0|0,1,0]=2 77 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,1,0,0,0,0|1,1,0]=3 78 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,1,0,0,0,0|1,1,0]=3 79 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,1,0,0,0,0|1,1,0]=3 80 B6R0.5 COCC(C)(F)F 34a_100000068830_200000210301 [0,1,0,0,0,0|2,1,0]=4 81 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,1,0,0,0,0|0,1,0]=2 82 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,1,0,0,0,0|0,1,0]=2 83 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,1,0,0,0,0|1,1,0]=3 84 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,1,0,0,0,0|1,1,0]=3 85 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,1,0,0,0,0|1,1,0]=3 86 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,1,0,0,0,0|1,1,0]=3 87 B6R0.5 CSC[N+](C)(C)C 62a_200000036245_200000210301 [0,1,0,0,0,0|1,0,0]=2 88 B6R0.5 CSC[N+](C)(C)C 62a_200000210301_200000036245 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.5 CSC[Si](C)(C)C 62a_100000037933_200000210301 [0,1,0,0,0,0|0,0,0]=1 90 B6R0.5 CSC[Si](C)(C)C 62a_200000210301_100000037933 [0,1,0,0,0,0|0,0,0]=1 91 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200000036245_200025704644 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.5 C[N+](C)(C)CS[13CH3] 62a_200025704644_200000036245 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_100000037933_200025704644 [0,1,0,0,0,0|0,0,0]=1 94 B6R0.5 C[Si](C)(C)CS[13CH3] 62a_200025704644_100000037933 [0,1,0,0,0,0|0,0,0]=1 95 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,1,0,0,0,0|0,1,1]=3 96 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,1,0,0,0,0|1,1,1]=4 97 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,1,0,0,0,0|0,1,1]=3 99 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,1,0,0,0,0|1,1,1]=4 100 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,1,0,0,0,0|1,1,1]=4 101 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,1,0,0,0,0|1,1,0]=3 102 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,1,0,0,0,0|1,1,0]=3 103 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,1,0,0,0,0|1,1,0]=3 104 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [0,1,0,0,0,0|0,1,2]=4 105 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [0,1,0,0,0,0|0,1,2]=4 106 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [0,1,0,0,0,0|0,1,2]=4 107 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,1,0,0,0,0|0,1,2]=4 108 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,1,0,0,0,0|0,1,2]=4 109 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,1,0,0,0,0|0,1,2]=4 110 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,1,0,0,0,0|0,1,2]=4 111 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,1,0,0,0,0|0,1,2]=4 112 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [0,1,0,0,0,0|0,1,2]=4 113 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [0,1,0,0,0,0|0,1,2]=4 114 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [0,1,0,0,0,0|0,1,2]=4 115 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [0,1,0,0,0,0|0,1,2]=4 116 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,1,0,0,0,0|0,1,2]=4 117 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,1,0,0,0,0|0,1,2]=4 118 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,1,0,0,0,0|0,1,2]=4 119 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,1,0,0,0,0|0,1,2]=4 120 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,1,0,0,0,0|1,1,1]=4 121 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [0,1,0,0,0,0|1,1,1]=4 122 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [0,1,0,0,0,0|1,1,1]=4 123 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,1,0,0,0,0|1,1,0]=3 124 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,1,0,0,0,0|1,1,0]=3 125 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,1,0,0,0,0|0,1,0]=2 126 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,1,0,0,0,0|0,1,0]=2 127 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,1,0,0,0,0|0,1,0]=2 128 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,1,0,0,0,0|0,1,0]=2 129 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,1,0,0,0,0|0,1,0]=2 130 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,1,0,0,0,0|0,1,0]=2 131 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,1,0,0,0,0|0,1,0]=2 132 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,1,0,0,0,0|0,1,0]=2 133 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,1,0,0,0,0|0,1,0]=2 134 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [0,1,0,0,0,0|1,1,1]=4 138 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [0,1,0,0,0,0|1,1,1]=4 139 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,1,0,0,0,0|1,1,0]=3 140 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,1,0,0,0,0|1,1,1]=4 141 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,1,0,0,0,0|1,1,1]=4 142 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,1,0,0,0,0|1,1,0]=3 143 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [0,1,0,0,0,0|1,1,1]=4 144 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [0,1,0,0,0,0|1,1,1]=4 145 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,0,0,1,0,0|1,1,0]=3 146 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,0,0,1,0,0|1,1,0]=3 147 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,0,0,1,0,0|1,1,0]=3 148 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,0,0,1,0,0|1,1,0]=3 149 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 150 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 151 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 153 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 154 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,0]=3 155 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,0]=3 156 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,0]=3 157 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,0]=3 158 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,0]=3 159 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,0]=3 160 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,0]=3 161 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 162 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 163 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|2,0,0]=4 166 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|2,0,0]=4 167 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|1,1,0]=4 169 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|1,1,0]=4 170 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 171 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 172 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 173 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 174 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|0,1,1]=4 180 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|0,1,1]=4 181 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|0,1,1]=4 182 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|0,1,1]=4 183 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|0,1,1]=4 184 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|0,1,1]=4 185 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,1,0,0,0,0|0,1,1]=4 186 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,1,0,0,0,0|0,1,1]=4 187 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,1,0,0,0,0|0,1,1]=4 188 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,1,0,0,0,0|0,1,1]=4 189 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|1,1,0]=4 196 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|1,1,0]=4 197 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|1,1,0]=4 198 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|1,1,0]=4 199 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,1,0]=4 200 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|0,1,0]=3 201 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|0,1,0]=3 202 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|0,1,0]=3 203 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|0,1,0]=3 204 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|0,1,0]=3 205 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|1,1,0]=4 206 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|1,1,0]=4 207 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|1,1,0]=4 208 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|1,1,0]=4 209 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,1,0]=4 210 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|1,1,0]=4 211 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,1,0]=4 212 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|1,1,0]=4 213 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|1,1,0]=4 214 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|1,1,0]=4 215 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|1,1,0]=4 216 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|1,1,0]=4 217 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|1,1,0]=4 224 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|1,1,0]=4 225 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|1,1,0]=4 226 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|0,1,0]=3 227 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|0,1,0]=3 228 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|0,1,0]=3 229 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|0,1,0]=3 230 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|0,1,0]=3 231 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|0,1,0]=3 232 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|0,1,0]=3 233 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|0,1,0]=3 248 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|0,1,0]=3 249 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|0,1,0]=3 250 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|0,1,0]=3 251 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|0,1,0]=3 252 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|0,1,0]=3 253 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|1,1,0]=4 254 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|1,1,0]=4 255 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|1,1,0]=4 256 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|1,1,0]=4 257 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|1,1,0]=4 258 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|1,1,0]=4 259 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|1,1,0]=4 260 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|1,1,0]=4 261 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|1,1,0]=4 262 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|1,1,0]=4 263 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|1,1,0]=4 264 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,1,0]=4 265 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|0,1,0]=3 266 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|0,1,0]=3 267 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,1,0]=4 268 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|1,1,0]=4 269 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,1,0]=4 272 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,1,0]=4 273 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|1,1,0]=4 274 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|1,1,0]=4 275 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|1,1,0]=4 276 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|0,1,0]=3 277 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|0,1,0]=3 278 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|1,1,0]=4 279 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|1,1,0]=4 280 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|1,1,0]=4 283 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|1,1,0]=4 284 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,1,0]=4 285 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,1,0]=4 286 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|1,1,0]=4 287 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|1,1,0]=4 288 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|1,1,0]=4 289 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,1,0]=4 290 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,1,0]=4 291 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,1,0]=4 292 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|1,1,0]=4 293 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|1,1,0]=4 294 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|1,1,0]=4 295 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|1,1,0]=4 296 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,1,0]=4 297 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,1,0]=4 298 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,1,0]=4 299 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,1,0]=4 300 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|0,1,0]=3 301 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|0,1,0]=3 302 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|0,1,0]=3 303 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|0,1,0]=3 304 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|0,1,0]=3 305 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,1,0]=3 306 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,1,0]=3 307 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,1,0]=3 308 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,1,0]=3 309 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,1,0]=3 310 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,1,0]=3 311 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,1,0]=3 312 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,1,0,0,0,0|1,0,0]=3 318 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|1,1,0]=4 322 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|1,1,0]=4 323 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|1,1,0]=4 324 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|1,1,0]=4 325 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,1,0]=4 326 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,1,0]=4 327 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,1,0]=4 328 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|1,1,0]=4 329 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|1,1,0]=4 330 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|1,1,0]=4 331 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|1,1,0]=4 332 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|1,1,0]=4 333 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|1,1,0]=4 334 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|1,1,0]=4 335 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|1,1,0]=4 336 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|1,1,0]=4 337 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|1,1,0]=4 338 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|1,1,0]=4 339 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,1,1]=4 340 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,1,1]=4 341 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,1,0]=4 342 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 344 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,1,0]=4 347 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,1,0]=4 348 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,1,1]=4 349 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|1,0,0]=3 350 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|1,0,0]=3 351 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|1,0,0]=3 353 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,1,0]=4 354 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,1,0]=4 355 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,1,0]=4 356 B7R0.8 C#CCNC(C)(C)C 2230a_100000715429_100000038162 [0,2,0,0,0,0|0,1,1]=4 357 B7R0.8 C#CCNC(C)(C)C 34a_100000212058_100000210625 [0,2,0,0,0,0|0,1,1]=4 358 B7R0.8 C#CCOC(C)(C)C 34a_100000210247_100000210625 [0,2,0,0,0,0|0,1,1]=4 359 B7R0.8 C#CCOC(C)(C)C 34a_100015890283_100000184674 [0,2,0,0,0,0|0,1,1]=4 360 B7R0.8 C#CCOC(C)(C)C 7a_100015890283_100000038162 [0,2,0,0,0,0|0,1,1]=4 361 B7R0.8 C#CCSC(C)(C)C 62a_100000038162_100000211941 [0,2,0,0,0,0|0,1,1]=4 362 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [0,2,0,0,0,0|0,1,1]=4 363 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,2,0,0,0,0|0,1,1]=4 364 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,2,0,0,0,0|0,1,1]=4 365 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,2,0,0,0,0|0,1,1]=4 366 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [0,2,0,0,0,0|0,1,1]=4 367 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [0,2,0,0,0,0|0,1,1]=4 368 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [0,2,0,0,0,0|0,1,0]=3 369 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,2,0,0,0,0|0,1,0]=3 370 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,2,0,0,0,0|0,1,0]=3 371 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,2,0,0,0,0|0,1,0]=3 372 B7R0.8 CC(C)(C)CSCF 62a_100011219605_100015361967 [0,2,0,0,0,0|0,1,0]=3 373 B7R0.8 CC(C)(C)CSCF 62a_100015361967_100011219605 [0,2,0,0,0,0|0,1,0]=3 374 B7R0.8 CC(C)(C)NCC#N 2230a_100000715429_100011215382 [0,2,0,0,0,0|0,1,1]=4 375 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,2,0,0,0,0|0,1,1]=4 376 B7R0.8 CC(C)(C)NCCF 2230a_100000715429_100011217306 [0,2,0,0,0,0|0,1,0]=3 377 B7R0.8 CC(C)(C)NCCF 34a_100000724931_100000210625 [0,2,0,0,0,0|0,1,0]=3 378 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [0,2,0,0,0,0|0,1,0]=3 379 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [0,2,0,0,0,0|0,1,0]=3 380 B7R0.8 CC(C)(C)OCC#N 7a_100015890283_100011215382 [0,2,0,0,0,0|0,1,1]=4 381 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,2,0,0,0,0|0,1,1]=4 382 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,2,0,0,0,0|0,1,1]=4 383 B7R0.8 CC(C)(C)OCCBr 34a_100000211926_100000210625 [0,2,0,0,0,0|0,1,0]=3 384 B7R0.8 CC(C)(C)OCCF 34a_100015890283_100011217306 [0,2,0,0,0,0|0,1,0]=3 385 B7R0.8 CC(C)(C)OCCF 7a_100015890283_100011217306 [0,2,0,0,0,0|0,1,0]=3 386 B7R0.8 CC(C)(C)OCCN 34a_100000210304_100000210625 [0,2,0,0,0,0|0,1,0]=3 387 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [0,2,0,0,0,0|0,1,0]=3 388 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [0,2,0,0,0,0|0,1,0]=3 389 B7R0.8 CC(C)(C)SCC#N 62a_100000211941_100011215382 [0,2,0,0,0,0|0,1,1]=4 390 B7R0.8 CC(C)(C)SCC#N 62a_100011215382_100000211941 [0,2,0,0,0,0|0,1,1]=4 391 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,2,0,0,0,0|0,1,1]=4 392 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,2,0,0,0,0|0,1,1]=4 393 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [0,2,0,0,0,0|0,1,0]=3 394 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [0,2,0,0,0,0|0,1,0]=3 395 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [0,2,0,0,0,0|0,1,0]=3 396 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [0,2,0,0,0,0|0,1,0]=3 397 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [0,2,0,0,0,0|1,1,0]=4 398 B7R0.8 CC(C)(F)COCF 34a_100000716592_100015361967 [0,2,0,0,0,0|1,1,0]=4 399 B7R0.8 CC(C)(F)CSCF 62a_100011997219_100015361967 [0,2,0,0,0,0|1,1,0]=4 400 B7R0.8 CC(C)(F)CSCF 62a_100015361967_100011997219 [0,2,0,0,0,0|1,1,0]=4 401 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,2,0,0,0,0|1,1,0]=4 402 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,2,0,0,0,0|1,1,0]=4 403 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [0,2,0,0,0,0|1,1,0]=4 404 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [0,2,0,0,0,0|1,1,0]=4 405 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [0,2,0,0,0,0|0,1,1]=4 406 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [0,2,0,0,0,0|0,1,0]=3 407 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [0,2,0,0,0,0|0,1,0]=3 408 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [0,2,0,0,0,0|0,1,0]=3 409 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [0,2,0,0,0,0|0,1,0]=3 410 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [0,2,0,0,0,0|0,1,0]=3 411 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [0,2,0,0,0,0|0,1,0]=3 412 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [0,2,0,0,0,0|0,1,0]=3 413 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [0,2,0,0,0,0|0,1,0]=3 414 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [0,2,0,0,0,0|1,1,0]=4 415 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,2,0,0,0,0|1,1,0]=4 416 B7R0.8 CCNC[Si](C)(C)C 2230a_100015525214_100000037933 [0,2,0,0,0,0|0,0,0]=2 417 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [0,2,0,0,0,0|0,1,0]=3 418 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [0,2,0,0,0,0|1,1,0]=4 419 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [0,2,0,0,0,0|1,1,0]=4 420 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,2,0,0,0,0|1,1,0]=4 421 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [0,2,0,0,0,0|0,1,0]=3 422 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [0,2,0,0,0,0|0,1,0]=3 423 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [0,2,0,0,0,0|1,1,0]=4 424 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [0,2,0,0,0,0|1,1,0]=4 425 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,2,0,0,0,0|1,1,0]=4 426 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,2,0,0,0,0|1,1,0]=4 427 B7R0.8 CCSC[N+](C)(C)C 62a_100000210202_200000036245 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.8 CCSC[N+](C)(C)C 62a_200000036245_100000210202 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.8 CCSC[Si](C)(C)C 62a_100000037933_100000210202 [0,2,0,0,0,0|0,0,0]=2 430 B7R0.8 CCSC[Si](C)(C)C 62a_100000210202_100000037933 [0,2,0,0,0,0|0,0,0]=2 431 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [0,2,0,0,0,0|0,1,0]=3 432 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [0,2,0,0,0,0|0,1,0]=3 433 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [0,2,0,0,0,0|0,1,0]=3 434 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [0,2,0,0,0,0|0,1,0]=3 435 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [0,2,0,0,0,0|1,1,0]=4 436 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,2,0,0,0,0|1,1,0]=4 437 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,2,0,0,0,0|1,1,0]=4 438 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,2,0,0,0,0|1,1,0]=4 439 B7R0.8 CNCC[N+](C)(C)C 34a_100102657272_100000085578 [0,2,0,0,0,0|1,0,0]=3 440 B7R0.8 CNCC[N+](C)(C)C 7a_106832991635_100000085578 [0,2,0,0,0,0|1,0,0]=3 441 B7R0.8 CNCC[Si](C)(C)C 2230a_106832991635_200000733723 [0,2,0,0,0,0|0,0,0]=2 442 B7R0.8 CNCC[Si](C)(C)C 34a_100102657272_200000733723 [0,2,0,0,0,0|0,0,0]=2 443 B7R0.8 CNCC[Si](C)(C)C 7a_106832991635_200000733723 [0,2,0,0,0,0|0,0,0]=2 444 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,2,0,0,0,0|0,1,0]=3 445 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,2,0,0,0,0|0,1,0]=3 446 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,2,0,0,0,0|1,1,0]=4 447 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [0,2,0,0,0,0|0,0,0]=2 450 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [0,2,0,0,0,0|0,0,0]=2 451 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [0,2,0,0,0,0|0,1,0]=3 452 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [0,2,0,0,0,0|0,1,0]=3 453 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [0,2,0,0,0,0|0,1,0]=3 454 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,2,0,0,0,0|0,1,0]=3 455 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,2,0,0,0,0|0,1,0]=3 456 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,2,0,0,0,0|1,1,0]=4 457 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,2,0,0,0,0|1,1,0]=4 458 B7R0.8 CSCC[N+](C)(C)C 62a_100000085578_200000210301 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.8 CSCC[N+](C)(C)C 62a_200000210301_100000085578 [0,2,0,0,0,0|1,0,0]=3 460 B7R0.8 CSCC[Si](C)(C)C 62a_200000210301_200000733723 [0,2,0,0,0,0|0,0,0]=2 461 B7R0.8 CSCC[Si](C)(C)C 62a_200000733723_200000210301 [0,2,0,0,0,0|0,0,0]=2 462 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [0,2,0,0,0,0|0,1,0]=3 463 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [0,2,0,0,0,0|0,1,0]=3 464 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [0,2,0,0,0,0|0,1,0]=3 465 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [0,2,0,0,0,0|0,1,0]=3 466 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [0,2,0,0,0,0|1,0,0]=3 467 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_100000085578_200025704644 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.8 C[N+](C)(C)CCS[13CH3] 62a_200025704644_100000085578 [0,2,0,0,0,0|1,0,0]=3 469 B7R0.8 C[N+](C)(C)CSCF 62a_100015361967_200000036245 [0,2,0,0,0,0|1,0,0]=3 470 B7R0.8 C[N+](C)(C)CSCF 62a_200000036245_100015361967 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [0,2,0,0,0,0|0,0,0]=2 472 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200000733723_200025704644 [0,2,0,0,0,0|0,0,0]=2 473 B7R0.8 C[Si](C)(C)CCS[13CH3] 62a_200025704644_200000733723 [0,2,0,0,0,0|0,0,0]=2 474 B7R0.8 C[Si](C)(C)CSCF 62a_100000037933_100015361967 [0,2,0,0,0,0|0,0,0]=2 475 B7R0.8 C[Si](C)(C)CSCF 62a_100015361967_100000037933 [0,2,0,0,0,0|0,0,0]=2 476 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,2,0,0,0,0|0,1,0]=3 477 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|1,1,0]=4 478 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,2,0,0,0,0|1,0,0]=3 479 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,2,0,0,0,0|0,0,0]=2 480 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,2,0,0,0,0|0,0,0]=2 481 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,2,0,0,0,0|0,1,1]=4 482 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,2,0,0,0,0|0,1,1]=4 483 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,2,0,0,0,0|0,1,1]=4 484 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,2,0,0,0,0|0,1,1]=4 485 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,2,0,0,0,0|0,1,0]=3 486 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|1,1,0]=4 487 B7R0.9 CC(C)NC(C)(C)C 2230a_100000715429_100000210206 [0,2,0,0,0,0|0,1,0]=3 488 B7R0.9 CC(C)NC(C)(C)C 34a_100138425928_100000210625 [0,2,0,0,0,0|0,1,0]=3 489 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,2,0,0,0,0|0,1,0]=3 490 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,2,0,0,0,0|0,1,0]=3 491 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,2,0,0,0,0|0,1,0]=3 492 B7R0.9 CC(C)SC(C)(C)C 62a_100000210206_100000211941 [0,2,0,0,0,0|0,1,0]=3 493 B7R0.9 CC(C)SC(C)(C)C 62a_100000211941_100000210206 [0,2,0,0,0,0|0,1,0]=3 494 B7R0.9 CN(C)CC(C)(C)C 2230a_100000742839_200000210301 [0,2,0,0,0,0|0,1,0]=3 495 B7R0.9 CN(C)CC(C)(C)C 269982a_100000742839_200000210301 [0,2,0,0,0,0|0,1,0]=3 496 B7R0.9 CN(C)CC(C)(C)C 270004a_100102631434_100011204126 [0,2,0,0,0,0|0,1,0]=3 497 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,2,0,0,0,0|1,1,0]=4 498 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,2,0,0,0,0|1,1,0]=4 499 B7R0.9 CN(C)C[N+](C)(C)C 269982a_100102631434_200000036245 [0,2,0,0,0,0|1,0,0]=3 500 B7R0.9 CN(C)C[Si](C)(C)C 2230a_100102631434_100000037933 [0,2,0,0,0,0|0,0,0]=2 501 B7R0.9 CN(C)C[Si](C)(C)C 269982a_200020589227_200000210301 [0,2,0,0,0,0|0,0,0]=2 502 B7R0.9 CN([13CH3])CC(C)(C)C 2230a_100000742839_200025704644 [0,2,0,0,0,0|0,1,0]=3 503 B7R0.9 CN([13CH3])CC(C)(C)C 269982a_100000742839_200025704644 [0,2,0,0,0,0|0,1,0]=3 504 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,2,0,0,0,0|1,1,0]=4 505 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,2,0,0,0,0|1,1,0]=4 506 B7R0.9 CN([13CH3])C[Si](C)(C)C 269982a_200020589227_200025704644 [0,2,0,0,0,0|0,0,0]=2 507 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,2,0,0,0,0|1,0,0]=3 508 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,2,0,0,0,0|0,0,0]=2 509 B7R0.11 C#CC(C)(C)NCC 34a_100000054563_100000210202 [0,2,0,0,0,0|0,1,1]=4 510 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,2,0,0,0,0|0,1,1]=4 511 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,2,0,0,0,0|0,1,1]=4 512 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,2,0,0,0,0|0,1,1]=4 513 B7R0.11 C#CC(C)(C)SCC 62a_100000038118_100000210202 [0,2,0,0,0,0|0,1,1]=4 514 B7R0.11 C#CC(C)(C)SCC 62a_100000210202_100000038118 [0,2,0,0,0,0|0,1,1]=4 515 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,2,0,0,0,0|0,1,1]=4 516 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,2,0,0,0,0|0,1,1]=4 517 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|0,1,1]=4 518 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|0,1,1]=4 519 B7R0.11 C=C[Si](C)(C)CNC 2230a_106832991635_100000038793 [0,2,0,0,0,0|0,0,1]=3 520 B7R0.11 C=C[Si](C)(C)CSC 62a_100000038793_200000210301 [0,2,0,0,0,0|0,0,1]=3 521 B7R0.11 C=C[Si](C)(C)CSC 62a_200000210301_100000038793 [0,2,0,0,0,0|0,0,1]=3 522 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_100000038793_200025704644 [0,2,0,0,0,0|0,0,1]=3 523 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_200025704644_100000038793 [0,2,0,0,0,0|0,0,1]=3 524 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,2,0,0,0,0|0,1,0]=3 525 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,2,0,0,0,0|0,1,0]=3 526 B7R0.11 CC(C)(CCl)OCF 7a_100000764493_100015361967 [0,2,0,0,0,0|1,1,0]=4 527 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,2,0,0,0,0|0,1,0]=3 528 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,2,0,0,0,0|0,1,0]=3 529 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,2,0,0,0,0|0,1,0]=3 530 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,2,0,0,0,0|0,1,0]=3 531 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,2,0,0,0,0|0,1,0]=3 532 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,2,0,0,0,0|0,1,0]=3 533 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,2,0,0,0,0|0,1,0]=3 534 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,2,0,0,0,0|0,1,0]=3 535 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,2,0,0,0,0|0,1,0]=3 536 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,2,0,0,0,0|0,1,0]=3 537 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,2,0,0,0,0|0,1,0]=3 538 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,2,0,0,0,0|0,1,0]=3 539 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,2,0,0,0,0|0,1,1]=4 540 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,2,0,0,0,0|0,1,1]=4 541 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,2,0,0,0,0|0,1,0]=3 542 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,2,0,0,0,0|0,1,0]=3 543 B7R0.11 CCSC(C)(C)C#N 62a_100000210202_100011162410 [0,2,0,0,0,0|0,1,1]=4 544 B7R0.11 CCSC(C)(C)C#N 62a_100011162410_100000210202 [0,2,0,0,0,0|0,1,1]=4 545 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,2,0,0,0,0|0,1,0]=3 546 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,2,0,0,0,0|0,1,0]=3 547 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,2,0,0,0,0|0,1,0]=3 548 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,2,0,0,0,0|0,1,0]=3 549 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,2,0,0,0,0|0,1,0]=3 550 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,2,0,0,0,0|0,1,0]=3 551 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,2,0,0,0,0|0,1,0]=3 552 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,2,0,0,0,0|0,1,0]=3 553 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,2,0,0,0,0|0,1,0]=3 554 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,2,0,0,0,0|0,1,0]=3 555 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,2,0,0,0,0|0,1,0]=3 556 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,2,0,0,0,0|0,1,0]=3 557 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,2,0,0,0,0|0,1,0]=3 558 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,2,0,0,0,0|0,1,0]=3 559 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,2,0,0,0,0|0,1,0]=3 560 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,2,0,0,0,0|0,1,0]=3 561 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,2,0,0,0,0|0,1,0]=3 562 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,2,0,0,0,0|0,1,0]=3 563 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,2,0,0,0,0|0,1,0]=3 564 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,2,0,0,0,0|0,1,0]=3 565 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,2,0,0,0,0|0,1,0]=3 566 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,2,0,0,0,0|0,1,0]=3 567 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,2,0,0,0,0|0,1,0]=3 568 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,2,0,0,0,0|0,1,0]=3 569 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,2,0,0,0,0|0,1,0]=3 570 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,2,0,0,0,0|0,1,1]=4 571 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,2,0,0,0,0|0,1,0]=3 572 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,2,0,0,0,0|1,1,0]=4 573 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,2,0,0,0,0|1,1,0]=4 574 B7R0.14 CCN(C)C(C)(C)C 2230a_100011200764_200000210301 [0,2,0,0,0,0|0,1,0]=3 575 B7R0.14 CCN(C)C(C)(C)C 269982a_100000225621_100000210625 [0,2,0,0,0,0|0,1,0]=3 576 B7R0.14 CCN(C)C(C)(C)C 269982a_100011200764_200000210301 [0,2,0,0,0,0|0,1,0]=3 577 B7R0.14 CCN(C)C(C)(C)C 269982a_100011215553_100000204670 [0,2,0,0,0,0|0,1,0]=3 578 B7R0.14 CCN([13CH3])C(C)(C)C 2230a_100011200764_200025704644 [0,2,0,0,0,0|0,1,0]=3 579 B7R0.14 CCN([13CH3])C(C)(C)C 269982a_100011200764_200025704644 [0,2,0,0,0,0|0,1,0]=3 580 B7R0.14 CN(CF)C(C)(C)C 269982a_100011215553_100015361967 [0,2,0,0,0,0|1,1,0]=4 581 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,2,0,0,0,0|0,1,1]=4 582 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,2,0,0,0,0|0,1,1]=4 583 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,2,0,0,0,0|0,1,1]=4 584 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,2,0,0,0,0|0,1,1]=4 585 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,2,0,0,0,0|1,1,0]=4 586 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,2,0,0,0,0|1,1,0]=4 587 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,2,0,0,0,0|0,1,0]=3 588 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,2,0,0,0,0|0,1,0]=3 589 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,2,0,0,0,0|1,1,0]=4 590 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,2,0,0,0,0|0,1,1]=4 591 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|0,1,1]=4 592 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|0,1,1]=4 593 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|0,1,1]=4 594 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|0,1,1]=4 595 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|0,1,1]=4 596 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,2,0,0,0,0|0,1,1]=4 597 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|0,1,1]=4 598 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,2,0,0,0,0|0,1,0]=3 599 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,2,0,0,0,0|0,1,0]=3 600 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|0,1,0]=3 601 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|0,1,0]=3 602 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,2,0,0,0,0|0,1,0]=3 603 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,2,0,0,0,0|0,1,0]=3 604 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,2,0,0,0,0|0,1,0]=3 605 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,2,0,0,0,0|0,1,0]=3 606 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,2,0,0,0,0|0,1,0]=3 607 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|1,1,0]=4 608 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|1,1,0]=4 609 B7R0.13 CN(C)C(C)(C)CO 269982a_100015204102_200000210301 [0,2,0,0,0,0|1,1,0]=4 610 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_200025704644_217856628674 [0,2,0,0,0,0|1,1,0]=4 611 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_217856628674_200025704644 [0,2,0,0,0,0|1,1,0]=4 612 B7R0.13 CN([13CH3])C(C)(C)CO 269982a_100015204102_200025704644 [0,2,0,0,0,0|1,1,0]=4 613 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|0,1,1]=4 614 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,2,0,0,0,0|0,1,0]=3 615 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|0,1,1]=4 616 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|0,1,1]=4 617 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|0,1,1]=4 618 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|0,1,1]=4 619 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,2,0,0,0,0|0,1,0]=3 620 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|0,1,1]=4 621 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|0,1,1]=4 622 B7R0.13 CSC(C)(C)N(C)C 62a_200000210301_217856628674 [0,2,0,0,0,0|1,1,0]=4 623 B7R0.13 CSC(C)(C)N(C)C 62a_217856628674_200000210301 [0,2,0,0,0,0|1,1,0]=4 624 B7R0.18 C#CC(C)(CC)NC 2230a_100000054623_200000210301 [0,2,0,0,0,0|0,1,1]=4 625 B7R0.18 C#CC(C)(CC)N[13CH3] 2230a_100000054623_200025704644 [0,2,0,0,0,0|0,1,1]=4 626 B7R0.18 C#CC(C)(CC)OC 34a_100000686493_200000210301 [0,2,0,0,0,0|0,1,1]=4 627 B7R0.18 C#CC(C)(CC)OC 7a_100000686493_200000210301 [0,2,0,0,0,0|0,1,1]=4 628 B7R0.18 C#CC(C)(CC)O[13CH3] 34a_100000686493_200025704644 [0,2,0,0,0,0|0,1,1]=4 629 B7R0.18 C#CC(C)(CC)O[13CH3] 7a_100000686493_200025704644 [0,2,0,0,0,0|0,1,1]=4 630 B7R0.18 CCC(C)(C#N)OC 7a_100000760259_200000210301 [0,2,0,0,0,0|0,1,1]=4 631 B7R0.18 CCC(C)(C#N)O[13CH3] 7a_100000760259_200025704644 [0,2,0,0,0,0|0,1,1]=4 632 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [0,2,0,0,0,0|0,1,0]=3 633 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,2,0,0,0,0|0,1,0]=3 634 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,2,0,0,0,0|0,1,0]=3 635 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [0,2,0,0,0,0|0,1,0]=3 636 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [0,2,0,0,0,0|0,1,0]=3 637 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [0,2,0,0,0,0|0,1,0]=3 638 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [0,2,0,0,0,0|0,1,0]=3 639 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|1,0,0]=3 640 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|1,0,0]=3 641 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,1,0]=4 642 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,1,0]=4 643 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,1,0]=4 644 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,1,0]=4 645 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,1,0]=4 646 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,1,0]=4 647 B7R1.16 CC1(CN(C1)[13CH3])C 2230a_100000753659_200025704644 [0,1,0,1,0,0|0,1,0]=3 648 B7R1.16 CC1(CN(C1)[13CH3])C 269982a_100000753659_200025704644 [0,1,0,1,0,0|0,1,0]=3 649 B7R1.16 CC1(CN(C1)[13CH3])F 2230a_100000696199_200025704644 [0,1,0,1,0,0|1,1,0]=4 650 B7R1.16 CC1(CN(C1)[13CH3])F 269982a_100000696199_200025704644 [0,1,0,1,0,0|1,1,0]=4 651 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [0,1,0,1,0,0|1,1,0]=4 652 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [0,1,0,1,0,0|1,1,0]=4 653 B7R1.16 CN1CC(C1)(C)C 2230a_100000753659_200000210301 [0,1,0,1,0,0|0,1,0]=3 654 B7R1.16 CN1CC(C1)(C)C 269982a_100000753659_200000210301 [0,1,0,1,0,0|0,1,0]=3 655 B7R1.16 CN1CC(C1)(C)F 2230a_100000696199_200000210301 [0,1,0,1,0,0|1,1,0]=4 656 B7R1.16 CN1CC(C1)(C)F 269982a_100000696199_200000210301 [0,1,0,1,0,0|1,1,0]=4 657 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [0,1,0,1,0,0|1,1,0]=4 658 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [0,1,0,1,0,0|1,1,0]=4 659 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,1,0,1,0,0|0,1,0]=3 660 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,1,0,1,0,0|0,1,0]=3 661 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,1,0,1,0,0|1,1,0]=4 662 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,1,0,1,0,0|1,1,0]=4 663 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,1,0,1,0,0|1,1,0]=4 664 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,1,0,1,0,0|0,1,0]=3 665 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,1,0,1,0,0|0,1,0]=3 666 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,1,0,1,0,0|0,1,0]=3 667 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,1,0,1,0,0|1,1,0]=4 668 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,1,0,1,0,0|1,1,0]=4 669 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,1,0,1,0,0|0,1,0]=3 670 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,1,0,1,0,0|1,1,0]=4 671 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,1,0,1,0,0|1,1,0]=4 672 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,1,0,1,0,0|1,1,0]=4 673 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,1,0,1,0,0|1,1,0]=4 674 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,1,0,1,0,0|1,1,0]=4 675 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,1,0,1,0,0|1,1,0]=4 676 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,1,0,1,0,0|1,1,0]=4 677 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,1,0,1,0,0|1,1,0]=4 678 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|0,1,1]=4 679 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|0,1,1]=4 680 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,1,0,1,0,0|0,1,0]=3 681 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,1,0,1,0,0|0,1,0]=3 682 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,1,0,0|0,1,0]=3 683 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,1,0,0|0,1,0]=3 684 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,1,0,1,0,0|1,1,0]=4 685 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,1,0,1,0,0|1,1,0]=4 686 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,1,0,1,0,0|0,1,0]=3 687 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,1,0,1,0,0|0,1,0]=3 688 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,1,0,1,0,0|1,1,0]=4 689 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,1,0,0|0,1,0]=3 690 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,1,0,0|0,1,0]=3 691 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,1,0,1,0,0|1,1,0]=4 692 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [0,1,0,1,0,0|0,1,0]=3 693 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [0,1,0,1,0,0|0,1,0]=3 694 B7R1.29 CNC1(CC1)CF 2230a_100000054953_200000210301 [0,1,0,1,0,0|1,1,0]=4 695 B7R1.29 CNC1(CC1)CF 34a_100000054953_200000210301 [0,1,0,1,0,0|1,1,0]=4 696 B7R1.29 [13CH3]NC1(CC1)CF 2230a_100000054953_200025704644 [0,1,0,1,0,0|1,1,0]=4 697 B7R1.29 [13CH3]NC1(CC1)CF 34a_100000054953_200025704644 [0,1,0,1,0,0|1,1,0]=4