0 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|0,0,2]=3 13 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|0,0,2]=3 14 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.5 CC(C)(C)CN[13CH3] 2230a_100000743828_200025704644 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.5 CC(C)(C)CS[13CH3] 62a_100011219605_200025704644 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.5 CC(C)(C)CS[13CH3] 62a_200025704644_100011219605 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.5 CC(C)(C)OCF 34a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.5 CC(C)(C)OCF 7a_100015890283_100015361967 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.5 CC(C)(C)SCF 62a_100000211941_100015361967 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.5 CC(C)(C)SCF 62a_100015361967_100000211941 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.5 CC(C)(F)CN[13CH3] 2230a_100020643315_200025704644 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.5 CC(C)(F)CO[13CH3] 34a_100000716592_200025704644 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.5 CC(C)(F)CS[13CH3] 62a_100011997219_200025704644 [0,1,0,0,0,0|1,0,2]=4 45 B6R0.5 CC(C)(F)CS[13CH3] 62a_200025704644_100011997219 [0,1,0,0,0,0|1,0,2]=4 46 B6R0.5 CC(C)(O)CN[13CH3] 2230a_100000751335_200025704644 [0,1,0,0,0,0|0,0,2]=3 47 B6R0.5 CC(C)(O)CS[13CH3] 62a_100000764493_200025704644 [0,1,0,0,0,0|0,0,2]=3 48 B6R0.5 CC(C)(O)CS[13CH3] 62a_200025704644_100000764493 [0,1,0,0,0,0|0,0,2]=3 49 B6R0.5 CCNC(C)(C)C 2230a_100000715429_100000210202 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.5 CCOC(C)(C)C 34a_100015890283_100000210202 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.5 CCOC(C)(C)C 34a_100121572206_100000210625 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.5 CCOC(C)(C)C 7a_100015890283_100000210202 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.5 CNCC(C)(C)C 2230a_100000743828_200000210301 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.5 CNCC(C)(C)C 270004a_106832991635_100011204126 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.5 CNCC(C)(C)C 34a_100102657272_100011219605 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.5 CNCC(C)(C)F 2230a_100020643315_200000210301 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.5 CNCC(C)(C)F 34a_100102657272_100011997219 [0,1,0,0,0,0|1,0,2]=4 60 B6R0.5 CNCC(C)(C)O 2230a_100000751335_200000210301 [0,1,0,0,0,0|0,0,2]=3 61 B6R0.5 CNCC(C)(C)O 34a_100102657272_100000764493 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.5 CNCC(C)(C)O 7a_106832991635_100000764493 [0,1,0,0,0,0|0,0,2]=3 63 B6R0.5 COCC(C)(C)C 34a_100138415774_100011219605 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.5 COCC(C)(C)F 34a_100000716592_200000210301 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.5 COCC(C)(C)F 34a_100138415774_100011997219 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.5 COCC(C)(C)O 34a_100138415774_100000764493 [0,1,0,0,0,0|0,0,2]=3 67 B6R0.5 CSCC(C)(C)C 62a_100011219605_200000210301 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.5 CSCC(C)(C)C 62a_200000210301_100011219605 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.5 CSCC(C)(C)F 62a_100011997219_200000210301 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.5 CSCC(C)(C)F 62a_200000210301_100011997219 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.5 CSCC(C)(C)O 62a_100000764493_200000210301 [0,1,0,0,0,0|0,0,2]=3 72 B6R0.5 CSCC(C)(C)O 62a_200000210301_100000764493 [0,1,0,0,0,0|0,0,2]=3 73 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [0,1,0,0,0,0|0,0,1]=2 76 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [0,1,0,0,0,0|0,0,1]=2 79 B6R0.7 CN(C)C(C)(C)C 269982a_100011215553_200000210301 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.7 CN(C)C(C)(C)C 269982a_100102631434_100000210625 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.7 CN([13CH3])C(C)(C)C 269982a_100011215553_200025704644 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,1,0,0,0,0|0,0,2]=3 86 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,1,0,0,0,0|0,0,2]=3 87 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,1,0,0,0,0|0,0,2]=3 88 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,1,0,0,0,0|0,0,2]=3 89 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,1,0,0,0,0|0,0,2]=3 90 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [0,1,0,0,0,0|0,1,2]=4 91 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [0,1,0,0,0,0|0,1,2]=4 92 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [0,1,0,0,0,0|0,1,2]=4 93 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [0,1,0,0,0,0|0,1,2]=4 94 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,1,0,0,0,0|0,0,0]=1 95 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,1,0,0,0,0|0,0,0]=1 96 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,1,0,0,0,0|0,0,0]=1 97 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,1,0,0,0,0|0,0,0]=1 98 B6R0.8 C=CC(F)(F)SC 62a_100009814244_200000210301 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.8 C=CC(F)(F)SC 62a_200000210301_100009814244 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.8 C=CC(F)(F)S[13CH3] 62a_100009814244_200025704644 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.8 C=CC(F)(F)S[13CH3] 62a_200025704644_100009814244 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,1,0,0,0,0|1,0,1]=3 103 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [0,1,0,0,0,0|1,1,1]=4 104 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [0,1,0,0,0,0|1,1,1]=4 105 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,1,0,0,0,0|0,0,2]=3 111 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,1,0,0,0,0|0,0,2]=3 112 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,1,0,0,0,0|0,1,2]=4 113 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,1,0,0,0,0|0,1,2]=4 114 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,1,0,0,0,0|0,1,2]=4 115 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,1,0,0,0,0|0,1,2]=4 116 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,1,0,0,0,0|1,0,1]=3 122 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [0,1,0,0,0,0|1,1,1]=4 123 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [0,1,0,0,0,0|1,1,1]=4 124 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,0,0,1,0,0|2,0,1]=4 128 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 129 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 130 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 131 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 132 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 133 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 134 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 135 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|1,0,1]=4 138 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|1,0,1]=4 139 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|1,0,1]=4 140 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,2]=4 141 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,2]=4 142 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 143 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,1]=4 144 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 145 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|0,0,2]=4 147 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|0,0,2]=4 148 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|0,0,2]=4 149 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [1,1,0,0,0,0|1,0,0]=3 150 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [1,1,0,0,0,0|1,0,0]=3 151 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [1,1,0,0,0,0|1,0,0]=3 154 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,1,0,0,0,0|0,0,2]=4 156 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,1,0,0,0,0|0,0,2]=4 157 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,1,0,0,0,0|0,0,2]=4 158 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|0,0,2]=4 159 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|0,0,2]=4 160 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|0,0,2]=4 161 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|0,0,2]=4 162 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|0,0,2]=4 163 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|0,0,2]=4 168 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|0,0,2]=4 170 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|0,0,2]=4 171 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|0,0,2]=4 172 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|0,0,2]=4 173 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|0,0,2]=4 174 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|0,0,2]=4 175 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|0,0,2]=4 176 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|0,0,2]=4 177 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|0,0,2]=4 178 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|0,0,2]=4 179 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|0,0,2]=4 180 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|0,0,2]=4 183 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|0,0,2]=4 184 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|0,0,2]=4 185 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|0,0,2]=4 186 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|0,0,2]=4 187 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|0,0,2]=4 188 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|0,0,2]=4 189 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|0,0,2]=4 190 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|0,0,2]=4 191 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|0,0,2]=4 192 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|0,0,2]=4 193 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|0,0,2]=4 194 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|0,0,2]=4 195 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|0,0,2]=4 196 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|0,0,2]=4 197 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|0,0,2]=4 198 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|0,0,2]=4 199 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|0,0,2]=4 200 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|0,0,2]=4 201 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|0,0,2]=4 202 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|0,0,2]=4 203 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|0,0,2]=4 204 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|0,0,2]=4 205 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|0,0,2]=4 206 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|0,0,2]=4 207 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|0,0,2]=4 208 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,1,0,0,0,0|0,0,2]=4 209 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,1,0,0,0,0|0,0,2]=4 210 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,1,0,0,0,0|0,0,2]=4 211 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,1,0,0,0,0|0,0,2]=4 213 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,1,0,0,0,0|0,0,2]=4 214 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,1,0,0,0,0|0,0,2]=4 215 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,1,0,0,0,0|0,0,2]=4 216 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,1,0,0,0,0|0,0,2]=4 217 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,1,0,0,0,0|0,0,2]=4 219 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 220 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,1,0,0,0,0|0,0,2]=4 221 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 222 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,1,0,0,0,0|0,0,2]=4 223 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|0,0,2]=4 224 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,1,0,0,0,0|0,0,2]=4 225 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,1,0,0,0,0|0,0,2]=4 226 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,1,0,0,0,0|0,0,2]=4 227 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,1,0,0,0,0|0,0,0]=2 228 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,1,0,0,0,0|0,0,0]=2 229 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,1,0,0,0,0|0,0,0]=2 230 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,1,0,0,0,0|0,0,0]=2 231 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|0,0,2]=4 240 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|0,0,2]=4 241 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|0,0,2]=4 242 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|0,0,2]=4 243 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|0,0,2]=4 244 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,1,0,0,0,0|0,0,2]=4 245 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,1,0,0,0,0|0,0,2]=4 246 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,1,0,0,0,0|0,0,2]=4 247 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,1,0,0,0,0|0,0,2]=4 248 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,1,0,0,0,0|0,0,2]=4 249 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,1,0,0,0,0|0,0,2]=4 250 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,1,0,0,0,0|0,0,2]=4 251 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,1,0,0,0,0|1,0,1]=4 261 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,1,0,0,0,0|1,0,1]=4 264 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|0,0,2]=4 276 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|0,0,2]=4 277 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|0,0,1]=3 278 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|0,0,1]=3 279 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|0,0,1]=3 286 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|0,0,1]=3 287 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|0,0,1]=3 288 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|0,0,1]=3 294 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|0,0,1]=3 295 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,2,0,0,0,0|1,0,1]=4 303 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,2,0,0,0,0|1,0,1]=4 305 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,2,0,0,0,0|0,0,2]=4 308 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,2,0,0,0,0|0,0,2]=4 309 B7R0.8 CC(C)(O)CSCF 62a_100000764493_100015361967 [0,2,0,0,0,0|0,0,2]=4 310 B7R0.8 CC(C)(O)CSCF 62a_100015361967_100000764493 [0,2,0,0,0,0|0,0,2]=4 311 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,2,0,0,0,0|0,0,2]=4 313 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,2,0,0,0,0|0,0,2]=4 314 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,2,0,0,0,0|0,0,2]=4 315 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,2,0,0,0,0|0,0,2]=4 316 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,2,0,0,0,0|0,0,2]=4 317 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,2,0,0,0,0|0,0,2]=4 318 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,2,0,0,0,0|0,0,2]=4 319 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,2,0,0,0,0|0,0,2]=4 320 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,2,0,0,0,0|0,0,2]=4 321 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,2,0,0,0,0|0,0,2]=4 322 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,2,0,0,0,0|1,0,1]=4 323 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,2,0,0,0,0|0,0,1]=3 324 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,2,0,0,0,0|0,0,1]=3 330 B7R0.9 CN(C)CC(C)(C)O 2230a_100000755907_200000210301 [0,2,0,0,0,0|0,0,2]=4 331 B7R0.9 CN(C)CC(C)(C)O 269982a_100000755907_200000210301 [0,2,0,0,0,0|0,0,2]=4 332 B7R0.9 CN([13CH3])CC(C)(C)O 2230a_100000755907_200025704644 [0,2,0,0,0,0|0,0,2]=4 333 B7R0.9 CN([13CH3])CC(C)(C)O 269982a_100000755907_200025704644 [0,2,0,0,0,0|0,0,2]=4 334 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,2,0,0,0,0|0,0,2]=4 335 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,2,0,0,0,0|0,0,2]=4 336 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,2,0,0,0,0|0,0,2]=4 337 B7R0.11 C#CC(C)(C)OCF 34a_100000189450_100015361967 [0,2,0,0,0,0|0,0,2]=4 338 B7R0.11 C#CC(C)(C)OCF 7a_100000189450_100015361967 [0,2,0,0,0,0|0,0,2]=4 339 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,2,0,0,0,0|0,0,0]=2 340 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,2,0,0,0,0|0,0,0]=2 341 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,2,0,0,0,0|0,0,0]=2 342 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,2,0,0,0,0|0,0,0]=2 343 B7R0.11 C=CC(F)(F)SCC 62a_100000210202_100009814244 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.11 C=CC(F)(F)SCC 62a_100009814244_100000210202 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.11 C=CC(F)(F)SCF 62a_100009814244_100015361967 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.11 C=CC(F)(F)SCF 62a_100015361967_100009814244 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|0,0,0]=2 348 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|0,0,0]=2 349 B7R0.11 C=C[Si](C)(C)CNC 2230a_106832991635_100000038793 [0,2,0,0,0,0|1,1,0]=4 350 B7R0.11 C=C[Si](C)(C)CSC 62a_100000038793_200000210301 [0,2,0,0,0,0|0,2,0]=4 351 B7R0.11 C=C[Si](C)(C)CSC 62a_200000210301_100000038793 [0,2,0,0,0,0|0,2,0]=4 352 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_100000038793_200025704644 [0,2,0,0,0,0|0,2,0]=4 353 B7R0.11 C=C[Si](C)(C)CS[13CH3] 62a_200025704644_100000038793 [0,2,0,0,0,0|0,2,0]=4 354 B7R0.11 CC(C)(C#N)OCF 34a_200015195151_100015361967 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,2,0,0,0,0|0,0,2]=4 356 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.11 CC(C)(CCl)OCF 7a_100000764493_100015361967 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [0,2,0,0,0,0|0,0,2]=4 359 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [0,2,0,0,0,0|0,0,2]=4 360 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [0,2,0,0,0,0|0,0,2]=4 361 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,2,0,0,0,0|0,0,2]=4 362 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,2,0,0,0,0|0,0,2]=4 363 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,2,0,0,0,0|0,0,2]=4 364 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,2,0,0,0,0|0,0,2]=4 365 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,2,0,0,0,0|0,0,2]=4 366 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,2,0,0,0,0|0,0,2]=4 367 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,2,0,0,0,0|1,0,1]=4 369 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,2,0,0,0,0|0,0,2]=4 370 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,2,0,0,0,0|1,0,1]=4 371 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [0,2,0,0,0,0|0,0,2]=4 373 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [0,2,0,0,0,0|0,0,2]=4 374 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [0,2,0,0,0,0|0,0,2]=4 375 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,2,0,0,0,0|0,0,2]=4 376 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,2,0,0,0,0|0,0,2]=4 377 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,2,0,0,0,0|0,0,2]=4 378 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,2,0,0,0,0|0,0,2]=4 379 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,2,0,0,0,0|0,0,2]=4 380 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,2,0,0,0,0|0,0,2]=4 381 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,2,0,0,0,0|0,0,2]=4 382 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,2,0,0,0,0|0,0,2]=4 383 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,2,0,0,0,0|0,0,2]=4 385 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,2,0,0,0,0|0,0,2]=4 387 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [0,2,0,0,0,0|0,0,2]=4 388 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [0,2,0,0,0,0|0,0,2]=4 389 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,2,0,0,0,0|1,0,1]=4 390 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,2,0,0,0,0|1,0,1]=4 391 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,2,0,0,0,0|0,0,1]=3 392 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,2,0,0,0,0|0,0,1]=3 395 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,2,0,0,0,0|1,0,1]=4 396 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,2,0,0,0,0|1,0,1]=4 397 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,2,0,0,0,0|1,0,1]=4 399 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [0,2,0,0,0,0|1,0,1]=4 400 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [0,2,0,0,0,0|1,0,1]=4 401 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [0,2,0,0,0,0|1,0,1]=4 402 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,2,0,0,0,0|0,0,1]=3 404 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,2,0,0,0,0|0,0,2]=4 405 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,2,0,0,0,0|0,0,2]=4 406 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,2,0,0,0,0|0,0,2]=4 407 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,2,0,0,0,0|0,0,1]=3 411 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,2,0,0,0,0|0,0,1]=3 412 B7R0.13 C=CC(F)(F)N(C)C 269982a_100102631434_100009814244 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,2,0,0,0,0|1,0,1]=4 414 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,2,0,0,0,0|1,0,1]=4 415 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,2,0,0,0,0|0,0,1]=3 416 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|0,0,1]=3 417 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|0,0,1]=3 418 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|0,1,1]=4 419 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|0,1,1]=4 420 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,2,0,0,0,0|1,0,1]=4 421 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,2,0,0,0,0|1,0,1]=4 422 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,2,0,0,0,0|0,0,1]=3 423 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,2,0,0,0,0|1,1,0]=4 428 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,2,0,0,0,0|1,1,0]=4 429 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,2,0,0,0,0|0,0,2]=4 430 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|0,0,1]=3 433 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|0,0,1]=3 434 B7R0.13 CN(C)C(C)(C)CO 269982a_100015204102_200000210301 [0,2,0,0,0,0|1,0,1]=4 435 B7R0.13 CN([13CH3])C(C)(C)CO 269982a_100015204102_200025704644 [0,2,0,0,0,0|1,0,1]=4 436 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|0,0,1]=3 443 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|0,0,1]=3 444 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|0,0,1]=3 445 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,2,0,0,0,0|1,0,0]=3 447 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|0,0,1]=3 449 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,2,0,0,0,0|0,0,2]=4 450 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|0,1,1]=4 451 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|0,1,1]=4 452 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,2,0,0,0,0|1,1,0]=4 453 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,2,0,0,0,0|1,1,0]=4 454 B7R0.18 C#CC(C)(C=C)OC 34a_100000033310_200000210301 [0,2,0,0,0,0|0,0,1]=3 455 B7R0.18 C#CC(C)(C=C)OC 7a_100000033310_200000210301 [0,2,0,0,0,0|0,0,1]=3 456 B7R0.18 C#CC(C)(C=C)O[13CH3] 34a_100000033310_200025704644 [0,2,0,0,0,0|0,0,1]=3 457 B7R0.18 C#CC(C)(C=C)O[13CH3] 7a_100000033310_200025704644 [0,2,0,0,0,0|0,0,1]=3 458 B7R0.18 C#CC(C)(CC)OC 34a_100000686493_200000210301 [0,2,0,0,0,0|0,0,2]=4 459 B7R0.18 C#CC(C)(CC)OC 7a_100000686493_200000210301 [0,2,0,0,0,0|0,0,2]=4 460 B7R0.18 C#CC(C)(CC)O[13CH3] 34a_100000686493_200025704644 [0,2,0,0,0,0|0,0,2]=4 461 B7R0.18 C#CC(C)(CC)O[13CH3] 7a_100000686493_200025704644 [0,2,0,0,0,0|0,0,2]=4 462 B7R0.18 CCC(C)(C#N)OC 7a_100000760259_200000210301 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.18 CCC(C)(C#N)O[13CH3] 7a_100000760259_200025704644 [0,2,0,0,0,0|1,0,1]=4 464 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,2,0,0,0,0|0,0,2]=4 465 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,2,0,0,0,0|0,0,2]=4 466 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,1]=4 467 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,1]=4 468 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|1,0,1]=4 469 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|1,0,1]=4 470 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,1]=4 471 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|1,0,1]=4 472 B7R1.16 CC1(CN(C1)[13CH3])O 2230a_100000718560_200025704644 [0,1,0,1,0,0|0,0,2]=4 473 B7R1.16 CC1(CN(C1)[13CH3])O 269982a_100000718560_200025704644 [0,1,0,1,0,0|0,0,2]=4 474 B7R1.16 CN1CC(C1)(C)O 2230a_100000718560_200000210301 [0,1,0,1,0,0|0,0,2]=4 475 B7R1.16 CN1CC(C1)(C)O 269982a_100000718560_200000210301 [0,1,0,1,0,0|0,0,2]=4 476 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,1,0,1,0,0|0,0,2]=4 477 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,1,0,1,0,0|0,0,2]=4 478 B7R1.21 CNCC1(CC1)O 2230a_100011936951_200000210301 [0,1,0,1,0,0|0,0,2]=4 479 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,1,0,1,0,0|0,0,2]=4 480 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,1,0,1,0,0|0,0,2]=4 481 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,1,0,1,0,0|0,0,2]=4 482 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,1,0,1,0,0|0,0,2]=4 483 B7R1.21 [13CH3]NCC1(CC1)O 2230a_100011936951_200025704644 [0,1,0,1,0,0|0,0,2]=4 484 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|1,0,1]=4 485 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,1,0,1,0,0|0,0,1]=3 487 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,1,0,1,0,0|0,0,1]=3 490 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,1,0,0|0,0,2]=4 491 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,1,0,0|0,0,2]=4 492 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,1,0,0|0,0,2]=4 496 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,1,0,0|0,0,2]=4 497 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.29 COC1(CC1)C#N 34a_100138415774_100009889376 [0,1,0,1,0,0|1,0,1]=4