0 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,0,0,0,0,0|2,1,0]=3 3 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,0,0,0,0,0|2,1,0]=3 4 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,0,0,0,0,0|2,1,0]=3 5 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,0,0,0,0,0|2,1,0]=3 6 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,0,0,0,0,0|1,0,3]=4 17 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,0,0,0|2,0,1]=4 18 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,0,0|2,1,0]=4 20 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,0,0|2,1,0]=4 21 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,0,0,0|2,0,1]=4 23 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,0,0|2,1,0]=4 24 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,0,0|2,1,0]=4 25 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,0,0,0|1,0,2]=4 26 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,0,0,0|1,0,2]=4 27 B8R1.11 CC1SCCN1CF 269982a_200011216479_100015361967 [0,1,0,0,0,0|2,1,0]=4 28 B8R1.11 CC1SCCN1CF 34a_200011216479_100015361967 [0,1,0,0,0,0|2,1,0]=4 29 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [0,1,0,0,0,0|2,1,0]=4 41 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [0,1,0,0,0,0|2,1,0]=4 42 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [0,1,0,0,0,0|2,1,0]=4 43 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,0,0,0|1,0,1]=3 56 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,0,0,0|1,0,0]=2 60 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,0,0,0|1,0,2]=4 61 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,0,0,0|1,0,2]=4 62 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,0,0,0|1,0,2]=4 71 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,0,0,0|1,0,2]=4 72 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,0,0,0|1,0,0]=2 83 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,0,0,0|2,0,1]=4 84 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,0,0,0|1,0,2]=4 91 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,0,0,0|1,0,2]=4 92 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.19 CC1(SCCN1[13CH3])C 2230a_100011217261_200025704644 [0,1,0,0,0,0|2,1,0]=4 96 B8R1.19 CC1(SCCN1[13CH3])C 269982a_100011217261_200025704644 [0,1,0,0,0,0|2,1,0]=4 97 B8R1.19 CC1(SCCN1[13CH3])C 34a_100011217261_200025704644 [0,1,0,0,0,0|2,1,0]=4 98 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.19 CN1CCSC1(C)C 2230a_100011217261_200000210301 [0,1,0,0,0,0|2,1,0]=4 102 B8R1.19 CN1CCSC1(C)C 269982a_100011217261_200000210301 [0,1,0,0,0,0|2,1,0]=4 103 B8R1.19 CN1CCSC1(C)C 34a_100011217261_200000210301 [0,1,0,0,0,0|2,1,0]=4 104 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,1,0,0,0,0|3,0,0]=4 106 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,1,0,0,0|1,0,2]=4 111 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,0,1,0,0,0|1,0,2]=4 112 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,0,1,0,0,0|0,0,2]=3 113 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,0,1,0,0,0|2,0,1]=4 115 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,0,1,0,0,0|1,0,1]=3 116 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,0,1,0,0,0|1,1,1]=4 117 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,1,0,0,0|1,0,1]=3 118 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,1,0,0,0|1,0,1]=3 119 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,0,1,0,0,0|2,0,1]=4 120 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,0,1,0,0,0|2,0,1]=4 121 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,0,1,0,0,0|2,0,1]=4 122 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,0,1,0,0,0|2,0,1]=4 123 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,0,1,0,0,0|1,0,1]=3 124 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,0,1,0,0,0|1,0,1]=3 125 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,0,1,0,0,0|2,0,1]=4 126 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,0,1,0,0,0|2,0,1]=4 127 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,1,0,0,0|1,0,2]=4 128 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,0,1,0,0,0|1,0,2]=4 129 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,1,0,0,0|0,0,2]=3 130 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,1,0,0,0|3,0,0]=4 131 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,1,0,0,0|3,0,0]=4 132 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,1,0,0,0|3,0,0]=4 133 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,1,0,0,0|3,0,0]=4 134 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,1,0,0,0|1,0,0]=2 135 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,0,1,0,0,0|2,0,0]=3 136 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,1,0,0,0|1,1,0]=3 137 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,0,1,0,0,0|2,1,0]=4 138 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|1,0,1]=3 139 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|1,0,1]=3 140 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,1,0,0,0|2,0,1]=4 141 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,1,0,0,0|2,0,1]=4 142 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,1,0,0,0|2,0,1]=4 143 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,1,0,0,0|2,0,1]=4 144 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,1,0,0,0|2,0,1]=4 145 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,1,0,0,0|2,0,1]=4 146 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,1,0,0,0|1,0,2]=4 147 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,0,1,0,0,0|2,0,1]=4 148 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,0,1,0,0,0|2,0,1]=4 150 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,0,1,0,0,0|2,0,1]=4 151 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,0,1,0,0,0|2,0,1]=4 152 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,0,1,0,0,0|2,0,1]=4 153 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|1,0,2]=4 154 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|1,0,2]=4 155 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|1,0,2]=4 156 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|1,0,2]=4 157 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,1,0,0,0|1,0,1]=3 158 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,1,0,0,0|1,0,1]=3 159 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,1,0,0,0|1,0,0]=2 160 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,1,0,0,0|0,0,0]=1 161 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,1,0,0,0|0,0,0]=1 162 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,1,0,0,0|2,0,0]=3 163 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,1,0,0,0|2,0,0]=3 164 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,1,0,0,0|2,0,0]=3 165 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,1,0,0,0|2,0,0]=3 167 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,1,0,0,0|2,0,0]=3 168 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,1,0,0,0|2,0,0]=3 169 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,1,0,0,0|2,0,0]=3 170 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,1,0,0,0|2,0,0]=3 171 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,1,0,0,0|3,0,0]=4 172 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,1,0,0,0|2,0,1]=4 173 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|1,0,0]=2 174 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|1,0,0]=2 175 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,1,0,0,0|2,0,0]=3 176 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,1,0,0,0|2,0,0]=3 177 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,1,0,0,0|2,0,0]=3 178 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 179 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 180 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 181 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,1,0,0,0|3,0,0]=4 182 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,1,0,0,0|3,0,0]=4 183 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,1,0,0,0|3,0,0]=4 184 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,1,0,0,0|3,0,0]=4 185 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,1,0,0,0|3,0,0]=4 186 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,1,0,0,0|3,0,0]=4 187 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,1,0,0,0|3,0,0]=4 188 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,1,0,0,0|3,0,0]=4 189 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,1,0,0,0|3,0,0]=4 190 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,1,0,0,0|3,0,0]=4 191 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,1,0,0,0|3,0,0]=4 192 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,1,0,0,0|3,0,0]=4 193 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,1,0,0,0|3,0,0]=4 194 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,1,0,0,0|3,0,0]=4 195 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,1,0,0,0|3,0,0]=4 196 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,1,0,0,0|3,0,0]=4 197 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,1,0,0,0|3,0,0]=4 198 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,1,0,0,0|3,0,0]=4 199 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,1,0,0,0|3,0,0]=4 200 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,1,0,0,0|3,0,0]=4 201 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,1,0,0,0|3,0,0]=4 202 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,1,0,0,0|3,0,0]=4 203 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,1,0,0,0|3,0,0]=4 204 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,1,0,0,0|3,0,0]=4 205 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,1,0,0,0|3,0,0]=4 206 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,1,0,0,0|2,0,0]=3 207 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,1,0,0,0|2,0,0]=3 208 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,1,0,0,0|2,0,0]=3 209 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,1,0,0,0|2,0,0]=3 210 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,1,0,0,0|2,0,0]=3 211 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,1,0,0,0|2,0,0]=3 212 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,1,0,0,0|2,0,0]=3 213 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,1,0,0,0|2,0,0]=3 214 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|2,0,0]=3 215 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|2,0,0]=3 216 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|2,0,0]=3 217 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|3,0,0]=4 218 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|3,0,0]=4 219 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|3,0,0]=4 220 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|3,0,0]=4 221 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|3,0,0]=4 222 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|3,0,0]=4 223 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|3,0,0]=4 224 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|3,0,0]=4 225 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,0,1,0,0,0|2,0,1]=4 226 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,0,1,0,0,0|2,0,1]=4 227 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,1,0,0,0|2,0,1]=4 228 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,1,0,0,0|2,0,1]=4 229 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,1,0,0,0|1,0,2]=4 230 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,1,0,0,0|1,0,2]=4 231 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,0,1,0,0,0|1,0,1]=3 232 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,1,0,0,0|1,0,1]=3 233 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,1,0,0,0|1,0,1]=3 234 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,1,0,0,0|1,0,1]=3 235 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,1,0,0,0|1,0,1]=3 236 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,1,0,0,0|1,0,1]=3 237 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,1,0,0,0|0,0,2]=3 238 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,0,1,0,0,0|1,1,1]=4 239 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,0,1,0,0,0|1,1,1]=4 240 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,1,0,0,0|1,1,1]=4 241 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,1,0,0,0|1,1,1]=4 242 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,1,0,0,0|0,1,2]=4 243 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,1,0,0,0|2,1,0]=4 244 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,1,0,0,0|2,1,0]=4 245 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,1,0,0,0|0,1,2]=4 246 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,1,0,0,0|0,1,2]=4 247 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [0,0,1,0,0,0|3,0,0]=4 248 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,0,1,0,0,0|2,0,1]=4 249 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,0,1,0,0,0|2,0,1]=4 250 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,1,0,0,0|1,0,0]=2 251 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,1,0,0,0|3,0,0]=4 252 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,1,0,0,0|3,0,0]=4 253 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 254 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 255 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,1,0,0,0|3,0,0]=4 256 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,1,0,0,0|3,0,0]=4 257 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 258 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,1,0,0,0|3,0,0]=4 259 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,1,0,0,0|3,0,0]=4 260 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 261 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 262 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 263 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,1,0,0,0|3,0,0]=4 264 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,1,0,0,0|3,0,0]=4 265 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,1,0,0,0|3,0,0]=4 266 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,1,0,0,0|3,0,0]=4 267 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,0,1,0,0,0|2,0,1]=4 268 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,0,1,0,0,0|2,0,1]=4 269 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,0,1,0,0,0|2,0,1]=4 270 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,1,0,0,0|3,0,0]=4 271 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,1,0,0,0|3,0,0]=4 272 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,1,0,0,0|3,0,0]=4 273 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,1,0,0,0|3,0,0]=4 274 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,1,0,0,0|3,0,0]=4 275 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,1,0,0,0|3,0,0]=4 276 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,1,0,0,0|3,0,0]=4 277 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,0,1,0,0,0|2,0,1]=4 278 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,0,1,0,0,0|2,0,1]=4 279 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,1,0,0,0|3,0,0]=4 280 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,1,0,0,0|3,0,0]=4 281 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,1,0,0,0|3,0,0]=4 282 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,1,0,0,0|3,0,0]=4 283 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,1,0,0,0|2,0,1]=4 284 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,1,0,0,0|3,0,0]=4 285 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,1,0,0,0|3,0,0]=4 286 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,0,1,0,0,0|2,0,1]=4 287 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,0,1,0,0,0|2,0,1]=4 288 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,1,0,0,0|3,0,0]=4 289 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,0,1,0,0,0|2,0,1]=4 290 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,0,1,0,0,0|2,0,1]=4 291 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,0,1,0,0,0|2,0,1]=4 292 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,0,1,0,0,0|2,0,1]=4 293 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,1,0,0,0|1,0,0]=2 294 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,1,0,0,0|2,0,0]=3 295 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,1,0,0,0|1,0,0]=2 296 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,0,1,0,0,0|1,0,2]=4 297 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,0,1,0,0,0|1,0,1]=3 298 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,1,0,0,0|1,0,1]=3 299 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,1,0,0,0|1,0,1]=3 300 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,1,0,0,0|1,0,1]=3 301 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,0,1,0,0,0|2,0,1]=4 302 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,1,0,0,0|2,0,1]=4 303 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,1,0,0,0|2,0,1]=4 304 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,1,0,0,0|2,0,0]=3 305 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,0,1,0,0,0|1,0,2]=4 306 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,1,0,0,0|1,0,1]=3 307 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,1,0,0,0|1,0,1]=3 308 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,0,1,0,0,0|2,0,0]=3 309 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,0,1,0,0,0|2,0,0]=3 310 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,1,0,0,0|0,0,0]=1 311 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,1,0,0,0|0,1,0]=2 312 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,1,0,0,0|0,1,0]=2 313 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,1,0,0,0|3,0,0]=4 314 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,0,1,0,0,0|2,0,0]=3 315 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,1,0,0,0|2,0,0]=3 316 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,1,0,0,0|2,0,0]=3 317 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,0,1,0,0,0|2,0,1]=4 318 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,1,0,0,0|1,0,1]=3 319 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,0,1,0,0,0|2,0,0]=3 320 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,1,0,0,0|1,1,0]=3 321 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,1,0,0,0|1,1,0]=3 322 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,1,0,0,0|1,0,0]=2 323 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,1,0,0,0|1,0,0]=2 324 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,1,0,0,0|1,0,0]=2 325 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,1,0,0,0|1,0,0]=2 326 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,1,0,0,0|2,0,0]=3 327 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,1,0,0,0|2,0,0]=3 328 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,1,0,0,0|2,0,0]=3 329 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,1,0,0,0|2,0,0]=3 330 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,1,0,0,0|0,0,0]=1 331 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,1,0,0,0|0,0,0]=1 332 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,1,0,0,0|1,0,0]=2 333 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,1,0,0,0|1,0,0]=2 334 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,1,0,0,0|1,0,0]=2 335 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,1,0,0,0|3,0,0]=4 336 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,1,0,0,0|3,0,0]=4 337 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,1,0,0,0|3,0,0]=4 338 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,1,0,0,0|3,0,0]=4 339 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,1,0,0,0|3,0,0]=4 340 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,1,0,0,0|3,0,0]=4 341 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,1,0,0,0|2,0,0]=3 342 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,1,0,0,0|2,0,0]=3 343 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,1,0,0,0|2,0,0]=3 344 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,1,0,0,0|2,0,0]=3 345 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,1,0,0,0|2,0,0]=3 346 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,1,0,0,0|2,0,0]=3 347 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,1,0,0,0|3,0,0]=4 348 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,1,0,0,0|3,0,0]=4 349 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,1,0,0,0|3,0,0]=4 350 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,1,0,0,0|3,0,0]=4 351 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,1,0,0,0|3,0,0]=4 352 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,1,0,0,0|3,0,0]=4 353 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,1,0,0,0|3,0,0]=4 354 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,1,0,0,0|3,0,0]=4 355 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,1,0,0,0|3,0,0]=4 356 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,1,0,0,0|1,0,2]=4 357 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,1,0,0,0|1,0,2]=4 358 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,1,0,0,0|2,0,0]=3 359 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,1,0,0,0|2,0,0]=3 360 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,1,0,0,0|2,0,0]=3 361 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,1,0,0,0|2,0,0]=3 362 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,1,0,0,0|2,0,0]=3 363 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,1,0,0,0|2,0,0]=3 364 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,1,0,0,0|2,0,0]=3 365 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,1,0,0,0|2,0,0]=3 366 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,0,1,0,0,0|3,0,0]=4 367 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,0,1,0,0,0|3,0,0]=4 368 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,0,1,0,0,0|3,0,0]=4 369 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,0,1,0,0,0|3,0,0]=4 370 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,0,1,0,0,0|2,0,0]=3 371 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,1,0,0,0|3,0,0]=4 372 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,1,0,0,0|1,0,0]=2 373 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,1,0,0,0|1,0,0]=2 374 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,1,0,0,0|1,0,0]=2 375 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,1,0,0,0|1,0,0]=2 376 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,1,0,0,0|1,0,0]=2 377 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,1,0,0,0|2,0,0]=3 378 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,1,0,0,0|2,0,0]=3 379 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,1,0,0,0|2,0,0]=3 380 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,0,1,0,0,0|2,0,1]=4 381 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,1,0,0,0|3,0,0]=4 382 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,1,0,0,0|3,0,0]=4 383 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,1,0,0,0|3,0,0]=4 384 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,1,0,0,0|3,0,0]=4 385 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,1,0,0,0|2,0,0]=3 386 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,1,0,0,0|2,0,0]=3 387 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,1,0,0,0|2,0,0]=3 388 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,1,0,0,0|0,0,0]=1 389 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,1,0,0,0|0,0,0]=1 390 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,1,0,0,0|1,0,0]=2 391 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,1,0,0,0|0,0,0]=1 392 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,1,0,0,0|1,0,1]=3 393 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,0,1,0,0,0|2,0,0]=3 394 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,1,0,0,0|2,0,0]=3 395 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,1,0,0,0|2,0,0]=3 396 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,1,0,0,0|1,0,0]=2 397 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,1,0,0,0|1,0,0]=2 398 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,1,0,0,0|1,0,0]=2 399 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,1,0,0,0|0,1,0]=2 400 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,1,0,0,0|0,1,0]=2 401 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,1,0,0,0|0,1,0]=2 402 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,1,0,0,0|1,1,0]=3 403 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,1,0,0,0|1,1,0]=3 404 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,1,0,0,0|0,1,0]=2 405 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,1,0,0,0|2,1,0]=4 406 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,1,0,0,0|2,1,0]=4 407 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,1,0,0,0|2,1,0]=4 408 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,1,0,0,0|2,1,0]=4 409 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,1,0,0,0|2,0,0]=3 410 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,1,0,0,0|2,0,0]=3 411 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,1,0,0,0|1,0,0]=2 412 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,1,0,0,0|1,0,0]=2 413 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,1,0,0,0|1,0,0]=2 414 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,1,0,0,0|2,0,0]=3 415 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,1,0,0,0|1,0,0]=2 416 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,1,0,0,0|1,0,0]=2 417 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,0,1,0,0,0|2,0,0]=3 418 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,1,0,0,0|3,0,0]=4 419 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,1,0,0,0|2,1,0]=4 420 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,1,0,0,0|2,1,0]=4 421 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,1,0,0,0|2,1,0]=4 422 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,1,0,0,0|2,1,0]=4 423 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,0,1,0,0,0|2,0,1]=4 424 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,0,1,0,0,0|2,0,1]=4 425 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,0,1,0,0,0|1,0,1]=3 426 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,0,1,0,0,0|1,0,1]=3 427 B6R0.6 C#CCCOCF 34a_100011215631_100015361967 [0,0,1,0,0,0|2,0,1]=4 428 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,0,1,0,0,0|1,1,1]=4 429 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,0,1,0,0,0|1,1,1]=4 430 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,1,0,0,0|1,0,1]=3 431 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,1,0,0,0|1,0,1]=3 432 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [0,0,1,0,0,0|2,0,1]=4 433 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,1,0,0,0|1,1,1]=4 434 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,1,0,0,0|1,1,1]=4 435 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,1,0,0,0|3,0,0]=4 436 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,1,0,0,0|3,0,0]=4 437 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,1,0,0,0|3,0,0]=4 438 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,1,0,0,0|3,0,0]=4 439 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,1,0,0,0|3,0,0]=4 440 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,1,0,0,0|3,0,0]=4 441 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,1,0,0,0|3,0,0]=4 442 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,1,0,0,0|3,0,0]=4 443 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,1,0,0,0|3,0,0]=4 444 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,1,0,0,0|3,0,0]=4 445 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,1,0,0,0|3,0,0]=4 446 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,1,0,0,0|3,0,0]=4 447 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,1,0,0,0|3,0,0]=4 448 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,1,0,0,0|3,0,0]=4 449 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,1,0,0,0|3,0,0]=4 450 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,1,0,0,0|3,0,0]=4 451 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,1,0,0,0|2,0,0]=3 452 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,1,0,0,0|2,0,0]=3 453 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,1,0,0,0|1,0,0]=2 454 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,1,0,0,0|1,0,0]=2 455 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,0,1,0,0,0|2,0,0]=3 456 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,1,0,0,0|1,1,0]=3 457 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,1,0,0,0|1,1,0]=3 458 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,0,1,0,0,0|2,1,0]=4 459 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,0,1,0,0,0|2,1,0]=4 460 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,1,0,0,0|3,0,0]=4 461 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,1,0,0,0|3,0,0]=4 462 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,1,0,0,0|3,0,0]=4 463 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,1,0,0,0|3,0,0]=4 464 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,1,0,0,0|3,0,0]=4 465 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,0,1,0,0,0|1,0,2]=4 466 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,0,1,0,0,0|1,0,2]=4 467 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,1,0,0,0|2,0,1]=4 468 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,1,0,0,0|1,0,1]=3 469 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,1,0,0,0|1,1,1]=4 470 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,1,0,0,0|1,1,1]=4 471 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,1,0,0,0|3,0,0]=4 472 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,1,0,0,0|3,0,0]=4 473 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,1,0,0,0|3,0,0]=4 474 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,1,0,0,0|3,0,0]=4 475 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,1,0,0,0|3,0,0]=4 476 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,1,0,0,0|3,0,0]=4 477 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,1,0,0,0|3,0,0]=4 478 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,1,0,0,0|3,0,0]=4 479 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,1,0,0,0|3,0,0]=4 480 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,1,0,0,0|3,0,0]=4 481 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,1,0,0,0|3,0,0]=4 482 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,1,0,0,0|3,0,0]=4 483 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,1,0,0,0|3,0,0]=4 484 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,1,0,0,0|3,0,0]=4 485 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,1,0,0,0|2,0,1]=4 486 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,1,0,0,0|2,0,1]=4 487 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,1,0,0,0|2,0,1]=4 488 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,1,0,0,0|1,0,1]=3 489 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,1,0,0,0|1,0,1]=3 490 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,1,0,0,0|1,0,1]=3 491 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,1,0,0,0|2,0,1]=4 492 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,1,0,0,0|2,0,1]=4 493 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,1,0,0,0|1,1,1]=4 494 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,1,0,0,0|1,1,1]=4 495 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,1,0,0,0|2,0,0]=3 496 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,1,0,0,0|2,0,0]=3 497 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,1,0,0,0|2,0,0]=3 498 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,0,1,0,0,0|2,0,1]=4 499 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,1,0,0,0|2,0,1]=4 500 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,1,0,0,0|2,0,1]=4 501 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,1,0,0,0|2,0,1]=4 502 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,1,0,0,0|1,0,2]=4 503 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,1,0,0,0|3,0,0]=4 504 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,1,0,0,0|3,0,0]=4 505 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,1,0,0,0|3,0,0]=4 506 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,1,0,0,0|3,0,0]=4 507 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,1,0,0,0|1,0,1]=3 508 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,1,0,0,0|1,0,1]=3 509 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,1,0,0,0|1,0,1]=3 510 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,1,0,0,0|1,0,1]=3 511 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,1,0,0,0|1,0,1]=3 512 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,1,0,0,0|0,0,2]=3 513 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,1,0,0,0|2,0,0]=3 514 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,1,0,0,0|2,0,0]=3 515 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,1,0,0,0|2,0,0]=3 516 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,1,0,0,0|2,0,0]=3 517 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,1,0,0,0|2,0,0]=3 518 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,1,0,0,0|2,0,0]=3 519 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,1,0,0,0|2,0,0]=3 520 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,1,0,0,0|2,0,0]=3 521 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,1,0,0,0|2,0,0]=3 522 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,1,0,0,0|2,0,0]=3 523 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,1,0,0,0|2,0,0]=3 524 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,1,0,0,0|2,0,0]=3 525 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,1,0,0,0|2,0,0]=3 526 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,1,0,0,0|2,0,0]=3 527 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,1,0,0,0|2,0,0]=3 528 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,1,0,0,0|2,0,0]=3 529 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,1,0,0,0|2,0,0]=3 530 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,1,0,0,0|2,0,0]=3 531 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,1,0,0,0|2,0,0]=3 532 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,1,0,0,0|2,0,0]=3 533 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,1,0,0,0|2,0,0]=3 534 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,1,0,0,0|2,0,0]=3 535 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,0,1,0,0,0|2,0,1]=4 536 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,0,1,0,0,0|2,0,1]=4 537 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,0,1,0,0,0|2,0,1]=4 538 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,0,1,0,0,0|2,0,1]=4 539 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,0,1,0,0,0|1,1,1]=4 540 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,0,1,0,0,0|1,1,1]=4 541 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,1,0,0,0|1,1,1]=4 542 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,1,0,0,0|1,1,1]=4 543 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,1,0,0,0|0,1,2]=4 544 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,1,0,0,0|0,1,2]=4 545 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,1,0,0,0|2,1,0]=4 546 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,1,0,0,0|2,1,0]=4 547 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,1,0,0,0|2,1,0]=4 548 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,1,0,0,0|2,1,0]=4 549 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,1,0,0,0|2,1,0]=4 550 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,1,0,0,0|2,1,0]=4 551 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,1,0,0,0|2,1,0]=4 552 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,1,0,0,0|2,1,0]=4 553 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,1,0,0,0|2,1,0]=4 554 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,1,0,0,0|2,1,0]=4 555 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,1,0,0,0|2,1,0]=4 556 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,1,0,0,0|2,1,0]=4 557 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,1,0,0,0|2,1,0]=4 558 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,1,0,0,0|2,1,0]=4 559 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,1,0,0,0|2,1,0]=4 560 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,1,0,0,0|2,1,0]=4 561 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,1,0,0,0|2,1,0]=4 562 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,1,0,0,0|2,1,0]=4 563 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,1,0,0,0|2,0,0]=3 564 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,1,0,0,0|2,0,0]=3 565 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,0,1,0,0,0|3,0,0]=4 566 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,0,1,0,0,0|3,0,0]=4 567 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,0,1,0,0,0|3,0,0]=4 568 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,1,0,0,0|2,0,0]=3 569 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,1,0,0,0|2,0,0]=3 570 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,0,1,0,0,0|3,0,0]=4 571 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,0,1,0,0,0|3,0,0]=4 572 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,0,1,0,0,0|3,0,0]=4 573 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,0,1,0,0,0|3,0,0]=4 574 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,0,1,0,0,0|2,0,1]=4 575 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,0,1,0,0,0|2,0,1]=4 576 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,0,1,0,0,0|2,0,1]=4 577 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,1,0,0,0|2,0,1]=4 578 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,1,0,0,0|3,0,0]=4 579 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,0,1,0,0,0|3,0,0]=4 580 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,1,0,0,0|3,0,0]=4 581 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,1,0,0,0|3,0,0]=4 582 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,1,0,0,0|3,0,0]=4 583 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,1,0,0,0|3,0,0]=4 584 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,1,0,0,0|3,0,0]=4 585 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,1,0,0,0|3,0,0]=4 586 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,1,0,0,0|3,0,0]=4 587 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,1,0,0,0|3,0,0]=4 588 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,1,0,0,0|2,0,0]=3 589 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,1,0,0,0|2,0,0]=3 590 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,0,1,0|2,0,0]=3 591 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,0,1,0|2,0,0]=3 592 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,0,1,0|2,0,0]=3 593 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,0,1,0|2,0,0]=3 594 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,0,0,1|2,0,0]=3 595 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,0,0,1|2,0,0]=3 596 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,0,0,1|2,0,0]=3 597 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,0,0,1|2,0,0]=3 598 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,0,0,1|2,0,0]=3 599 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,0,0,1|2,0,0]=3 600 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|3,0,0]=4 601 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,1|3,0,0]=4 602 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,0,0,1|3,0,0]=4 603 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,0,0,1|3,0,0]=4 604 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,0,0,1|3,0,0]=4 605 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,0,0,1|3,0,0]=4 606 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,0,0,1|3,0,0]=4 607 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,0,0,1|3,0,0]=4 608 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,0,0,1|3,0,0]=4 609 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,0,0,1|3,0,0]=4 610 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|3,0,0]=4 611 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,1|3,0,0]=4 612 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,0,0,1|3,0,0]=4 613 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,0,0,1|3,0,0]=4 614 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,0,0,0,0,1|3,0,0]=4 615 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,0,0,0,0,1|3,0,0]=4 616 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,0,0,0,0,1|3,0,0]=4 617 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,0,0,0,0,1|3,0,0]=4 618 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,0,0,0,0,1|3,0,0]=4 619 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,0,0,0,0,1|3,0,0]=4 620 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,0,0,0,0,1|2,0,0]=3 621 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,0,0,0,0,1|2,0,0]=3 622 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,0,0,0,0,1|2,0,0]=3 623 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,0,0,0,0,1|2,0,0]=3 624 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,0,0,0,0,1|2,0,0]=3 625 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,0,0,0,0,1|2,0,0]=3 626 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,1,0,0,0|1,0,1]=4 627 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,1,0,0,0|1,0,1]=4 628 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,1,0,0,0|1,0,1]=4 629 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,1,0,0,0|2,0,0]=4 630 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,1,0,0,0|2,0,0]=4 631 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,1,0,0,0|2,0,0]=4 632 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,1,0,0,0|1,0,0]=3 633 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,1,0,0,0|1,0,0]=3 634 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,1,0,0,0|1,0,0]=3 635 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,1,0,0,0|1,1,0]=4 636 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,1,0,0,0|1,1,0]=4 637 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,1,0,0,0|1,1,0]=4 638 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,1,0,0,0|1,1,0]=4 639 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,1,0,0,0|1,0,1]=4 640 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,1,0,0,0|1,0,1]=4 641 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,1,0,0,0|1,0,1]=4 642 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|1,0,1]=4 643 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|1,0,1]=4 644 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|1,0,1]=4 645 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,1,0,0,0|1,0,1]=4 646 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,1,0,0,0|1,0,1]=4 647 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,1,0,0,0|1,0,1]=4 648 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,1,0,0,0|1,0,1]=4 649 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,1,0,0,0|1,0,0]=3 650 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|0,0,0]=2 651 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|0,0,0]=2 652 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,1,0,0,0|0,0,0]=2 653 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,1,0,0,0|1,0,1]=4 654 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,1,0,0,0|1,0,1]=4 655 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,1,0,0,0|1,0,1]=4 656 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,1,0,0,0|1,0,1]=4 657 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,1,0,0,0|1,0,1]=4 658 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|1,0,1]=4 659 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,1,0,0,0|1,0,1]=4 660 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,1,0,0,0|1,0,1]=4 661 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|1,0,1]=4 662 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|1,0,1]=4 663 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|1,0,0]=3 664 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|1,0,0]=3 665 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|1,0,0]=3 666 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|1,0,1]=4 667 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|1,0,1]=4 668 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|1,0,1]=4 669 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,1,0,0,0|1,0,1]=4 670 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,1,0,0,0|1,0,1]=4 671 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,1,0,0,0|1,0,1]=4 672 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,1,0,0,0|0,0,1]=3 673 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,1,0,0,0|0,0,1]=3 674 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,1,0,0,0|0,1,1]=4 675 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,1,0,0,0|0,1,1]=4 676 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,1,0,0,0|2,0,0]=4 677 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,1,0,0,0|2,0,0]=4 678 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,1,0,0,0|2,0,0]=4 679 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,1,0,0,0|2,0,0]=4 680 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,1,0,0,0|2,0,0]=4 681 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,1,0,0,0|2,0,0]=4 682 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,1,0,0,0|2,0,0]=4 683 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,1,0,0,0|2,0,0]=4 684 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,1,0,0,0|2,0,0]=4 685 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,1,0,0,0|2,0,0]=4 686 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,1,0,0,0|2,0,0]=4 687 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,1,0,0,0|2,0,0]=4 688 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,1,0,0,0|1,0,1]=4 689 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,1,0,0,0|1,0,1]=4 690 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,1,0,0,0|1,0,1]=4 691 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,1,0,0,0|1,0,1]=4 692 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,1,0,0,0|1,0,1]=4 693 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,1,0,0,0|1,0,1]=4 694 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,1,0,0,0|1,0,1]=4 695 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,1,0,0,0|1,0,1]=4 696 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,1,0,0,0|2,0,0]=4 697 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,1,0,0,0|0,0,0]=2 698 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,1,0,0,0|0,0,0]=2 699 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,1,0,0,0|1,0,0]=3 700 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,1,0,0,0|0,0,0]=2 701 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,1,0,0,0|1,0,0]=3 702 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,1,0,0,0|1,0,1]=4 703 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,1,0,0,0|1,0,1]=4 704 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,1,0,0,0|1,0,1]=4 705 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,1,0,0,0|1,0,1]=4 706 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,1,0,0,0|0,0,2]=4 707 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,1,0,0,0|2,0,0]=4 708 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,1,0,0,0|2,0,0]=4 709 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,1,0,0,0|1,0,1]=4 710 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,1,0,0,0|1,0,1]=4 711 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,1,0,0,0|0,0,2]=4 712 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,1,0,0,0|2,0,0]=4 713 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,1,0,0,0|0,1,0]=3 714 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,1,0,0,0|1,1,0]=4 715 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,1,0,0,0|1,1,0]=4 716 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,1,0,0,0|0,1,0]=3 717 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,1,0,0,0|1,1,0]=4 718 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,1,0,0,0|1,1,0]=4 719 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,1,0,0,0|1,0,1]=4 720 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,1,0,0,0|1,0,1]=4 721 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,1,0,0,0|1,0,1]=4 722 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,1,0,0,0|1,0,1]=4 723 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,1,0,0,0|1,0,1]=4 724 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,1,0,0,0|1,0,1]=4 725 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,1,0,0,0|1,0,1]=4 726 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,1,0,0,0|1,0,1]=4 727 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,1,0,0,0|1,0,1]=4 728 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|0,0,0]=2 729 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,1,0,0,0|2,0,0]=4 730 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,1,0,0,0|2,0,0]=4 731 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,1,0,0,0|1,1,0]=4 732 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,1,0,0,0|1,1,0]=4 733 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,1,0,0,0|1,1,0]=4 734 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,1,0,0,0|1,1,0]=4 735 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,0,1,0,0,0|1,0,1]=4 736 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,0,1,0,0,0|1,0,1]=4 737 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,0,1,0,0,0|1,0,1]=4 738 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,1,0,0,0|0,0,2]=4 739 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,1,0,0,0|0,0,2]=4 740 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,1,0,0,0|1,0,1]=4 741 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,1,0,0,0|1,0,1]=4 742 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,1,0,0,0|1,0,1]=4 743 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,1,0,0,0|2,0,0]=4 744 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,1,0,0,0|2,0,0]=4 745 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,1,0,0,0|2,0,0]=4 746 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,1,0,0,0|2,0,0]=4 747 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,1,0,0,0|2,0,0]=4 748 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,1,0,0,0|1,0,0]=3 749 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,1,0,0,0|1,0,0]=3 750 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,1,0,0,0|1,0,0]=3 751 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,1,0,0,0|1,1,0]=4 752 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,1,0,0,0|1,1,0]=4 753 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,1,0,0,0|1,1,0]=4 754 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,1,0,0,0|1,1,0]=4 755 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,1,0,0,0|1,0,1]=4 756 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,1,0,0,0|1,0,1]=4 757 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|0,0,1]=3 758 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|0,0,1]=3 759 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,1,0,0,0|1,0,1]=4 760 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,1,0,0,0|0,1,1]=4 761 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,1,0,0,0|0,1,1]=4 762 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,1,0,0,0|1,0,1]=4 763 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,1,0,0,0|2,0,0]=4 764 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,1,0,0,0|2,0,0]=4 765 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,1,0,0,0|2,0,0]=4 766 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,1,0,0,0|2,0,0]=4 767 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,1,0,0,0|2,0,0]=4 768 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,1,0,0,0|2,0,0]=4 769 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,1,0,0,0|2,0,0]=4 770 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,1,0,0,0|1,0,1]=4 771 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,1,0,0,0|1,0,1]=4 772 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,1,0,0,0|1,0,1]=4 773 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,1,0,0,0|1,0,1]=4 774 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,1,0,0,0|1,0,1]=4 775 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,1,0,0,0|2,0,0]=4 776 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,1,0,0,0|2,0,0]=4 777 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,1,0,0,0|2,0,0]=4 778 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,1,0,0,0|2,0,0]=4 779 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,1,0,0,0|1,0,1]=4 780 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,1,0,0,0|0,0,1]=3 781 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,1,0,0,0|0,0,1]=3 782 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,1,0,0,0|1,0,1]=4 783 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,1,0,0,0|0,1,1]=4 784 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,1,0,0,0|0,1,1]=4 785 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,1,0,0,0|1,0,0]=3 786 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,1,0,0,0|2,0,0]=4 787 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,1,0,0,0|2,0,0]=4 788 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,1,0,0,0|1,0,0]=3 789 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,1,0,0,0|1,0,0]=3 790 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,1,0,0,0|1,0,0]=3 791 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|0,0,0]=2 792 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,1,0,0,0|1,0,0]=3 793 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,1,0,0,0|1,0,0]=3 794 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,1,0,0,0|1,0,0]=3 795 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,1,0,0,0|0,0,1]=3 796 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,1,0,0,0|1,0,1]=4 797 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,1,0,0,0|1,0,1]=4 798 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,1,0,0,0|1,0,1]=4 799 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,1,0,0,0|1,0,1]=4 800 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,1,0,0,0|1,0,1]=4 801 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,1,0,0,0|0,1,0]=3 802 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,1,0,0,0|0,1,0]=3 803 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,1,0,0,0|1,1,0]=4 804 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,1,0,0,0|1,1,0]=4 805 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,1,0,0,0|1,0,0]=3 806 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,1,0,0,0|1,0,0]=3 807 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,1,0,0,0|1,0,1]=4 808 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,1,0,0,0|1,0,1]=4 809 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,1,0,0,0|1,0,1]=4 810 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,1,0,0,0|2,0,0]=4 811 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,1,0,0,0|2,0,0]=4 812 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,1,0,0,0|2,0,0]=4 813 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,1,0,0,0|2,0,0]=4 814 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,1,0,0,0|1,0,1]=4 815 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,1,0,0,0|1,0,1]=4 816 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,1,0,0,0|1,0,1]=4 817 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,1,0,0,0|1,0,1]=4 818 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,1,0,0,0|1,0,1]=4 819 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,1,0,0,0|0,0,2]=4 820 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,1,0,0,0|2,0,0]=4 821 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,1,0,0,0|2,0,0]=4 822 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,1,0,0,0|2,0,0]=4 823 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,1,0,0,0|2,0,0]=4 824 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,1,0,0,0|2,0,0]=4 825 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,1,0,0,0|2,0,0]=4 826 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,1,0,0,0|2,0,0]=4 827 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,1,0,0,0|2,0,0]=4 828 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,1,0,0,0|2,0,0]=4 829 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,1,0,0,0|2,0,0]=4 830 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,1,0,0,0|2,0,0]=4 831 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,1,0,0,0|2,0,0]=4 832 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,1,0,0,0|1,0,1]=4 833 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,1,0,0,0|1,0,1]=4 834 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,1,0,0,0|2,0,0]=4 835 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,1,0,0,0|2,0,0]=4 836 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,0,1,0,0,0|2,0,0]=4 837 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,1,0,0,0|2,0,0]=4 838 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,1,0,0,0|1,1,0]=4 839 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,1,0,0,0|1,1,0]=4 840 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,1,0,0,0|2,0,0]=4 841 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,1,0,0,0|2,0,0]=4 842 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,1,0,0,0|2,0,0]=4 843 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,1,0,0,0|1,0,1]=4 844 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,1,0,0,0|1,0,1]=4 845 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,1,0,0,0|1,0,1]=4 846 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,1,0,0,0|1,0,1]=4 847 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,1,0,0,0|2,0,0]=4 848 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,1,0,0,0|1,0,1]=4 849 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,1,0,0,0|1,0,1]=4 850 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,1,0,0,0|0,0,2]=4 851 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,1,0,0,0|0,0,2]=4 852 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,1,0,0,0|0,0,2]=4 853 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,1,0,0,0|0,0,2]=4 854 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,1,0,0,0|0,0,2]=4 855 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,1,0,0,0|0,0,2]=4 856 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|0,0,2]=4 857 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,1,0,0,0|0,0,1]=3 858 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,1,0,0,0|0,0,1]=3 859 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,1,0,0,0|0,1,1]=4 860 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,1,0,0,0|0,1,1]=4 861 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,1,0,0,0|1,0,1]=4 862 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,1,0,0,0|1,0,1]=4 863 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,1,0,0,0|1,0,1]=4 864 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|1,0,1]=4 865 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|0,0,0]=2 866 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,1,0,0,0|1,0,0]=3 867 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|0,0,0]=2 868 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|1,0,0]=3 869 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 870 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 871 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 872 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,1,0,0,0|1,0,1]=4 873 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,1,0,0,0|1,0,1]=4 874 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,1,0,0,0|1,0,1]=4 875 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,1,0,0,0|1,0,1]=4 876 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,1,0,0,0|1,0,1]=4 877 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,1,0,0,0|0,0,1]=3 878 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,1,0,0,0|0,0,1]=3 879 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,1,0,0,0|0,0,1]=3 880 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,1,0,0,0|0,1,1]=4 881 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,1,0,0,0|0,1,1]=4 882 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,1,0,0,0|0,1,1]=4 883 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,1,0,0,0|0,1,1]=4 884 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,1,0,0,0|2,0,0]=4 885 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 886 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,1,0,0,0|2,0,0]=4 887 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,1,0,0,0|2,0,0]=4 888 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 889 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 890 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,1,0,0,0|2,0,0]=4 891 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 892 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|1,0,0]=3 893 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|1,0,0]=3 894 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|2,0,0]=4 895 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|2,0,0]=4 896 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|2,0,0]=4 897 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,1,0,0,0|1,0,1]=4 898 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,1,0,0,0|1,0,1]=4 899 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,1,0,0,0|1,0,1]=4 900 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,1,0,0,0|1,0,1]=4 901 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,1,0,0,0|0,0,2]=4 902 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,1,0,0,0|1,0,0]=3 903 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,1,0,0,0|1,0,0]=3 904 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,1,0,0,0|1,0,0]=3 905 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,1,0,0,0|1,0,0]=3 906 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,1,0,0,0|1,0,0]=3 907 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,1,0,0,0|0,0,2]=4 908 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,1,0,0,0|0,0,2]=4 909 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,1,0,0,0|0,0,0]=2 910 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,1,0,0,0|0,0,0]=2 911 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,1,0,0,0|1,0,0]=3 912 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,1,0,0,0|1,0,0]=3 913 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,1,0,0,0|1,0,0]=3 914 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,1,0,0,0|1,0,0]=3 915 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,1,0,0,0|1,0,0]=3 916 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,1,0,0,0|1,0,0]=3 917 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,1,0,0,0|0,0,0]=2 918 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,1,0,0,0|0,0,0]=2 919 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,1,0,0,0|0,0,0]=2 920 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,1,0,0,0|2,0,0]=4 921 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,1,0,0,0|2,0,0]=4 922 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,1,0,0,0|2,0,0]=4 923 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,1,0,0,0|2,0,0]=4 924 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,1,0,0,0|1,0,0]=3 925 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,1,0,0,0|0,0,0]=2 926 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,1,0,0,0|0,0,0]=2 927 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,1,0,0,0|1,0,0]=3 928 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,1,1,0,0,0|0,0,2]=4 929 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,1,1,0,0,0|1,0,1]=4 930 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,1,1,0,0,0|1,0,1]=4 931 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,1,1,0,0,0|1,0,1]=4 932 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,1,0,0,0|1,0,1]=4 933 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,1,0,0,0|1,0,1]=4 934 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,1,0,0,0|0,0,2]=4 935 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,1,1,0,0,0|1,0,0]=3 936 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,1,1,0,0,0|1,1,0]=4 937 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,1,0,0,0|2,0,0]=4 938 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,1,0,0,0|2,0,0]=4 939 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,1,1,0,0,0|1,0,1]=4 940 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,1,1,0,0,0|1,0,1]=4 941 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,1,1,0,0,0|1,0,1]=4 942 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,1,1,0,0,0|1,0,1]=4 943 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,1,0,0,0|0,0,2]=4 944 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,1,0,0,0|1,0,0]=3 945 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,1,0,0,0|0,0,2]=4 946 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,1,0,0,0|0,0,2]=4 947 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,1,0,0,0|0,0,2]=4 948 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,1,0,0,0|0,0,2]=4 949 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,1,0,0,0|1,0,0]=3 950 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,1,0,0,0|1,0,0]=3 951 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,1,0,0,0|0,0,0]=2 952 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,1,0,0,0|1,0,0]=3 953 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,1,0,0,0|2,0,0]=4 954 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,1,0,0,0|2,0,0]=4 955 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,1,0,0,0|0,0,0]=2 956 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,1,1,0,0,0|1,0,1]=4 957 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,1,0,0,0|2,0,0]=4 958 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,1,0,0,0|2,0,0]=4 959 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,1,0,0,0|2,0,0]=4 960 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,1,0,0,0|2,0,0]=4 961 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,1,0,0,0|2,0,0]=4 962 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,1,0,0,0|1,0,1]=4 963 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,1,0,0,0|1,0,1]=4 964 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,1,0,0,0|2,0,0]=4 965 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,1,0,0,0|2,0,0]=4 966 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,1,0,0,0|2,0,0]=4 967 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,1,0,0,0|2,0,0]=4 968 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,1,0,0,0|2,0,0]=4 969 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,1,0,0,0|2,0,0]=4 970 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,1,0,0,0|2,0,0]=4 971 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,1,0,0,0|2,0,0]=4 972 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,1,0,0,0|2,0,0]=4 973 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,1,0,0,0|2,0,0]=4 974 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,1,0,0,0|2,0,0]=4 975 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 976 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 977 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 978 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,1,0,0,0|1,0,0]=3 979 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,1,0,0,0|1,0,0]=3 980 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,1,1,0,0,0|2,0,0]=4 981 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,1,0,0,0|0,0,2]=4 982 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,1,0,0,0|0,0,2]=4 983 B7R0.3 C#CC(C)OCCBr 34a_100000211926_200000035995 [0,1,1,0,0,0|1,0,1]=4 984 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,1,1,0,0,0|1,0,1]=4 985 B7R0.3 C#CC(C)OCCN 34a_100000210304_200000035995 [0,1,1,0,0,0|1,0,1]=4 986 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,1,0,0,0|1,0,0]=3 987 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,1,0,0,0|1,0,0]=3 988 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,1,1,0,0,0|2,0,0]=4 989 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,1,1,0,0,0|2,0,0]=4 990 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,1,1,0,0,0|2,0,0]=4 991 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,1,1,0,0,0|2,0,0]=4 992 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,1,1,0,0,0|2,0,0]=4 993 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,1,1,0,0,0|2,0,0]=4 994 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 995 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 996 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 997 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 998 B7R0.3 C#CCOC(C)C=C 34a_100000695699_100000184674 [0,1,1,0,0,0|1,0,1]=4 999 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,1,1,0,0,0|1,0,1]=4 1000 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,1,1,0,0,0|1,0,1]=4 1001 B7R0.3 C#C[C@@H](C)OCCF 34a_100009815206_100011217306 [0,1,1,0,0,0|1,0,1]=4 1002 B7R0.3 C#C[C@@H](C)OCCF 7a_100009815206_100011217306 [0,1,1,0,0,0|1,0,1]=4 1003 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,1,1,0,0,0|1,0,1]=4 1004 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,1,1,0,0,0|1,0,1]=4 1005 B7R0.3 C#C[C@@H](C)OCSC 34a_100009815206_100011218213 [0,1,1,0,0,0|1,0,1]=4 1006 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,1,0,0,0|1,0,1]=4 1007 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,1,0,0,0|0,0,2]=4 1008 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,1,0,0,0|0,0,2]=4 1009 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,1,0,0,0|0,0,2]=4 1010 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,1,0,0,0|1,0,0]=3 1011 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,1,0,0,0|1,0,0]=3 1012 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,1,1,0,0,0|2,0,0]=4 1013 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,1,1,0,0,0|2,0,0]=4 1014 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,1,0,0,0|1,0,1]=4 1015 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,1,0,0,0|1,0,0]=3 1016 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,1,1,0,0,0|1,0,0]=3 1017 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,1,1,0,0,0|1,0,0]=3 1018 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,1,1,0,0,0|1,0,0]=3 1019 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,1,0,0,0|1,1,0]=4 1020 B7R0.3 C=CC(C)SCCF 62a_100011215867_100011217306 [0,1,1,0,0,0|1,1,0]=4 1021 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,1,1,0,0,0|1,1,0]=4 1022 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,1,1,0,0,0|1,1,0]=4 1023 B7R0.3 C=CC(C)SCSC 62a_100011215867_100011218213 [0,1,1,0,0,0|1,1,0]=4 1024 B7R0.3 C=CC(O)COCC 34a_100121572206_100000730141 [0,1,1,0,0,0|2,0,0]=4 1025 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,1,0,0,0|1,0,0]=3 1026 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,1,0,0,0|1,0,0]=3 1027 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,1,0,0,0|2,0,0]=4 1028 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,1,0,0,0|2,0,0]=4 1029 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,1,0,0,0|2,0,0]=4 1030 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,1,0,0,0|2,0,0]=4 1031 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,1,0,0,0|2,0,0]=4 1032 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,1,0,0,0|2,0,0]=4 1033 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,1,0,0,0|1,0,1]=4 1034 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,1,0,0,0|1,0,1]=4 1035 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,1,0,0,0|1,0,1]=4 1036 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,1,1,0,0,0|1,0,1]=4 1037 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [0,1,1,0,0,0|2,0,0]=4 1038 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,1,0,0,0|1,0,1]=4 1039 B7R0.3 CC(C#N)OCCF 34a_100011218135_100011217306 [0,1,1,0,0,0|1,0,1]=4 1040 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,1,1,0,0,0|1,0,1]=4 1041 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,1,0,0,0|1,0,1]=4 1042 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,1,0,0,0|1,0,1]=4 1043 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,1,0,0,0|1,0,1]=4 1044 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,1,0,0,0|1,0,1]=4 1045 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,1,0,0,0|1,0,1]=4 1046 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,1,0,0,0|1,0,1]=4 1047 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,1,0,0,0|0,0,2]=4 1048 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,1,0,0,0|0,0,2]=4 1049 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,1,0,0,0|1,0,1]=4 1050 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,1,0,0,0|1,0,1]=4 1051 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,1,0,0,0|1,0,1]=4 1052 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,1,0,0,0|0,0,1]=3 1053 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|0,0,2]=4 1054 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,1,0,0,0|1,0,0]=3 1055 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,1,0,0,0|1,0,0]=3 1056 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,1,0,0,0|1,0,0]=3 1057 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,1,0,0,0|0,0,0]=2 1058 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,1,0,0,0|0,0,0]=2 1059 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,1,0,0,0|0,0,0]=2 1060 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,1,0,0,0|0,1,0]=3 1061 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,1,0,0,0|0,1,0]=3 1062 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,1,0,0,0|1,0,0]=3 1063 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,1,0,0,0|1,0,0]=3 1064 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,1,0,0,0|1,0,0]=3 1065 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,1,0,0,0|1,0,1]=4 1066 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,1,0,0,0|1,0,1]=4 1067 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 1068 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 1069 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 1070 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 1071 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,1,0,0,0|0,0,0]=2 1072 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,1,0,0,0|0,0,0]=2 1073 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,1,0,0,0|1,0,1]=4 1074 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,1,0,0,0|1,0,1]=4 1075 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,1,0,0,0|1,0,1]=4 1076 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,1,0,0,0|1,0,1]=4 1077 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,1,0,0,0|1,0,1]=4 1078 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,1,0,0,0|1,0,1]=4 1079 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,1,0,0,0|1,0,1]=4 1080 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,1,0,0,0|1,0,1]=4 1081 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,1,0,0,0|1,0,1]=4 1082 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,1,0,0,0|1,0,1]=4 1083 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,1,0,0,0|1,0,1]=4 1084 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,1,0,0,0|1,0,1]=4 1085 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,1,0,0,0|1,0,0]=3 1086 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,1,0,0,0|1,0,0]=3 1087 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,1,0,0,0|2,0,0]=4 1088 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,1,0,0,0|2,0,0]=4 1089 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,1,0,0,0|2,0,0]=4 1090 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 1091 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 1092 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 1093 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,1,0,0,0|1,0,0]=3 1094 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,1,0,0,0|1,0,0]=3 1095 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,1,0,0,0|1,0,0]=3 1096 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,1,0,0,0|1,0,0]=3 1097 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,1,0,0,0|2,0,0]=4 1098 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,1,0,0,0|2,0,0]=4 1099 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,1,0,0,0|2,0,0]=4 1100 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,1,0,0,0|2,0,0]=4 1101 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,1,0,0,0|2,0,0]=4 1102 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,1,0,0,0|2,0,0]=4 1103 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,1,0,0,0|2,0,0]=4 1104 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,1,0,0,0|2,0,0]=4 1105 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,1,1,0,0,0|1,0,1]=4 1106 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,1,0,0,0|1,0,1]=4 1107 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,1,0,0,0|1,0,1]=4 1108 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,1,0,0,0|1,0,1]=4 1109 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,1,0,0,0|1,0,1]=4 1110 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,1,0,0,0|1,0,1]=4 1111 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,1,0,0,0|0,0,2]=4 1112 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,1,0,0,0|2,0,0]=4 1113 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,1,0,0,0|2,0,0]=4 1114 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,1,0,0,0|2,0,0]=4 1115 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,1,0,0,0|2,0,0]=4 1116 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,1,0,0,0|2,0,0]=4 1117 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1118 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,1,0,0,0|2,0,0]=4 1119 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,1,0,0,0|2,0,0]=4 1120 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1121 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,1,0,0,0|2,0,0]=4 1122 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1123 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1124 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,1,0,0,0|2,0,0]=4 1125 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,1,0,0,0|2,0,0]=4 1126 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,1,0,0,0|2,0,0]=4 1127 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,1,0,0,0|2,0,0]=4 1128 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,1,0,0,0|1,0,0]=3 1129 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,1,0,0,0|1,0,0]=3 1130 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,1,0,0,0|2,0,0]=4 1131 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,1,0,0,0|2,0,0]=4 1132 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,1,0,0,0|2,0,0]=4 1133 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,1,0,0,0|2,0,0]=4 1134 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,1,0,0,0|2,0,0]=4 1135 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,1,0,0,0|2,0,0]=4 1136 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,1,0,0,0|2,0,0]=4 1137 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,1,0,0,0|2,0,0]=4 1138 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,1,0,0,0|1,0,1]=4 1139 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,1,1,0,0,0|1,0,1]=4 1140 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,1,0,0,0|2,0,0]=4 1141 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,1,0,0,0|2,0,0]=4 1142 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,1,0,0,0|2,0,0]=4 1143 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,1,0,0,0|2,0,0]=4 1144 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,1,0,0,0|2,0,0]=4 1145 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,1,0,0,0|1,0,1]=4 1146 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,1,0,0,0|1,0,1]=4 1147 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,1,0,0,0|0,0,2]=4 1148 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,1,0,0,0|1,0,0]=3 1149 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,1,0,0,0|1,0,0]=3 1150 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,1,0,0,0|1,0,0]=3 1151 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,1,0,0,0|2,0,0]=4 1152 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,1,0,0,0|2,0,0]=4 1153 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,1,0,0,0|2,0,0]=4 1154 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,1,0,0,0|2,0,0]=4 1155 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,1,0,0,0|2,0,0]=4 1156 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,1,0,0,0|2,0,0]=4 1157 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,1,0,0,0|2,0,0]=4 1158 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,1,0,0,0|2,0,0]=4 1159 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,1,0,0,0|2,0,0]=4 1160 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,1,1,0,0,0|2,0,0]=4 1161 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,1,1,0,0,0|2,0,0]=4 1162 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,1,1,0,0,0|2,0,0]=4 1163 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,1,1,0,0,0|2,0,0]=4 1164 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,1,0,0,0|2,0,0]=4 1165 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,1,0,0,0|2,0,0]=4 1166 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,1,0,0,0|1,0,0]=3 1167 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,1,0,0,0|1,0,0]=3 1168 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,1,0,0,0|1,0,0]=3 1169 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,1,0,0,0|1,0,0]=3 1170 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,1,0,0,0|1,0,0]=3 1171 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,1,0,0,0|1,0,0]=3 1172 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,1,0,0,0|1,0,0]=3 1173 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,1,0,0,0|1,1,0]=4 1174 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,1,0,0,0|1,1,0]=4 1175 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,1,0,0,0|1,1,0]=4 1176 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,1,0,0,0|1,1,0]=4 1177 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,1,0,0,0|1,1,0]=4 1178 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,1,0,0,0|1,1,0]=4 1179 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,1,0,0,0|1,1,0]=4 1180 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,1,0,0,0|1,1,0]=4 1181 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,1,0,0,0|2,0,0]=4 1182 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,1,1,0,0,0|2,0,0]=4 1183 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,1,1,0,0,0|2,0,0]=4 1184 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,1,0,0,0|2,0,0]=4 1185 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,1,0,0,0|2,0,0]=4 1186 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,1,0,0,0|2,0,0]=4 1187 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,1,0,0,0|2,0,0]=4 1188 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,1,0,0,0|1,0,0]=3 1189 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,1,0,0,0|1,0,0]=3 1190 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,1,0,0,0|1,0,0]=3 1191 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,1,0,0,0|1,0,0]=3 1192 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,1,0,0,0|2,0,0]=4 1193 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,1,0,0,0|2,0,0]=4 1194 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,1,0,0,0|2,0,0]=4 1195 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,1,0,0,0|2,0,0]=4 1196 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,1,0,0,0|2,0,0]=4 1197 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,1,0,0,0|2,0,0]=4 1198 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,1,0,0,0|2,0,0]=4 1199 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,1,0,0,0|2,0,0]=4 1200 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,1,0,0,0|1,1,0]=4 1201 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,1,0,0,0|1,1,0]=4 1202 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,1,0,0,0|1,1,0]=4 1203 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,1,0,0,0|1,1,0]=4 1204 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,1,0,0,0|2,0,0]=4 1205 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,1,0,0,0|2,0,0]=4 1206 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,1,0,0,0|1,0,0]=3 1207 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,1,0,0,0|1,0,0]=3 1208 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,1,0,0,0|1,0,0]=3 1209 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,1,0,0,0|1,1,0]=4 1210 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,1,0,0,0|1,1,0]=4 1211 B7R0.3 CSCOC(C)C#N 34a_100011218135_100011218213 [0,1,1,0,0,0|1,0,1]=4 1212 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,1,0,0,0|1,0,1]=4 1213 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,1,0,0,0|1,0,1]=4 1214 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,1,1,0,0,0|2,0,0]=4 1215 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,1,1,0,0,0|2,0,0]=4 1216 B7R0.3 O=C(C#CCO)CF 1458a_100000049017_100015361967 [0,1,1,0,0,0|1,0,1]=4 1217 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,1,0,0,0|2,0,0]=4 1218 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,1,0,0,0|1,0,0]=3 1219 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,1,0,0,0|2,0,0]=4 1220 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,1,0,0,0|2,0,0]=4 1221 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,1,0,0,0|1,0,0]=3 1222 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,1,0,0,0|1,0,0]=3 1223 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,1,1,0,0,0|1,0,1]=4 1224 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,1,1,0,0,0|1,0,1]=4 1225 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,1,1,0,0,0|1,0,1]=4 1226 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,1,1,0,0,0|1,0,1]=4 1227 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,1,1,0,0,0|1,0,1]=4 1228 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,1,0,0,0|1,0,1]=4 1229 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,1,0,0,0|1,0,1]=4 1230 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,1,0,0,0|0,0,1]=3 1231 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,1,0,0,0|2,0,0]=4 1232 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,1,0,0,0|1,0,1]=4 1233 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,1,0,0,0|1,0,1]=4 1234 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,1,0,0,0|1,0,1]=4 1235 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,1,0,0,0|1,0,1]=4 1236 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,1,0,0,0|1,0,1]=4 1237 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,1,0,0,0|2,0,0]=4 1238 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,1,0,0,0|2,0,0]=4 1239 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,1,0,0,0|2,0,0]=4 1240 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,1,0,0,0|1,0,0]=3 1241 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,1,1,0,0,0|1,1,0]=4 1242 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,1,1,0,0,0|1,1,0]=4 1243 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,1,1,0,0,0|1,0,1]=4 1244 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,1,1,0,0,0|1,0,1]=4 1245 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,1,0,0,0|1,0,0]=3 1246 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,1,0,0,0|0,0,0]=2 1247 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,1,0,0,0|0,0,0]=2 1248 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,1,0,0,0|2,0,0]=4 1249 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,1,0,0,0|2,0,0]=4 1250 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [0,1,1,0,0,0|2,0,0]=4 1251 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [0,1,1,0,0,0|2,0,0]=4 1252 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [0,1,1,0,0,0|2,0,0]=4 1253 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [0,1,1,0,0,0|2,0,0]=4 1254 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [0,1,1,0,0,0|2,0,0]=4 1255 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [0,1,1,0,0,0|2,0,0]=4 1256 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [0,1,1,0,0,0|2,0,0]=4 1257 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,1,0,0,0|2,0,0]=4 1258 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,1,1,0,0,0|1,0,1]=4 1259 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,1,0,0,0|1,0,0]=3 1260 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,1,0,0,0|0,0,0]=2 1261 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,1,1,0,0,0|1,1,0]=4 1262 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,1,1,0,0,0|1,1,0]=4 1263 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,1,0,0,0|1,0,1]=4 1264 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,1,0,0,0|1,0,1]=4 1265 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,1,0,0,0|1,0,0]=3 1266 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,1,0,0,0|1,0,0]=3 1267 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,1,0,0,0|1,0,0]=3 1268 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,1,0,0,0|2,0,0]=4 1269 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 1270 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 1271 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 1272 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 1273 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,1,0,0,0|1,0,0]=3 1274 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,1,0,0,0|1,0,0]=3 1275 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,1,0,0,0|1,0,0]=3 1276 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,1,0,0,0|1,0,0]=3 1277 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,1,0,0,0|1,0,0]=3 1278 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 1279 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 1280 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 1281 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,1,0,0,0|2,0,0]=4 1282 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,1,0,0,0|2,0,0]=4 1283 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,1,0,0,0|2,0,0]=4 1284 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,1,0,0,0|2,0,0]=4 1285 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,1,0,0,0|2,0,0]=4 1286 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,1,0,0,0|2,0,0]=4 1287 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,1,0,0,0|2,0,0]=4 1288 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,1,0,0,0|2,0,0]=4 1289 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,1,0,0,0|2,0,0]=4 1290 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,1,0,0,0|2,0,0]=4 1291 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,1,0,0,0|2,0,0]=4 1292 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,1,0,0,0|1,0,0]=3 1293 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,1,0,0,0|1,0,0]=3 1294 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,1,0,0,0|2,0,0]=4 1295 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,1,0,0,0|1,0,0]=3 1296 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,1,0,0,0|1,0,0]=3 1297 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,1,0,0,0|1,0,0]=3 1298 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,1,0,0,0|0,0,0]=2 1299 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,1,0,0,0|0,0,0]=2 1300 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,1,0,0,0|0,0,0]=2 1301 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,1,0,0,0|0,0,0]=2 1302 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,1,0,0,0|1,0,1]=4 1303 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,1,0,0,0|1,0,0]=3 1304 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,1,0,0,0|1,0,0]=3 1305 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,1,0,0,0|0,0,0]=2 1306 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,1,0,0,0|0,0,0]=2 1307 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,1,0,0,0|0,0,0]=2 1308 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,1,0,0,0|0,1,0]=3 1309 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,1,0,0,0|0,1,0]=3 1310 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,1,0,0,0|0,1,0]=3 1311 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,1,0,0,0|0,1,0]=3 1312 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,1,0,0,0|0,1,0]=3 1313 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,1,0,0,0|0,1,0]=3 1314 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,1,0,0,0|1,1,0]=4 1315 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,1,0,0,0|1,1,0]=4 1316 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,1,0,0,0|1,1,0]=4 1317 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,1,0,0,0|1,1,0]=4 1318 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,1,0,0,0|1,0,0]=3 1319 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,1,0,0,0|2,0,0]=4 1320 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,1,0,0,0|2,0,0]=4 1321 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,1,0,0,0|2,0,0]=4 1322 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,1,0,0,0|2,0,0]=4 1323 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,1,0,0,0|2,0,0]=4 1324 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,1,0,0,0|2,0,0]=4 1325 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,1,0,0,0|2,0,0]=4 1326 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,1,0,0,0|2,0,0]=4 1327 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,1,0,0,0|2,0,0]=4 1328 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,1,0,0,0|2,0,0]=4 1329 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,1,0,0,0|2,0,0]=4 1330 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,1,0,0,0|2,0,0]=4 1331 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,1,0,0,0|2,0,0]=4 1332 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,1,0,0,0|2,0,0]=4 1333 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,1,0,0,0|2,0,0]=4 1334 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,1,0,0,0|2,0,0]=4 1335 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,1,0,0,0|2,0,0]=4 1336 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,1,1,0,0,0|1,0,1]=4 1337 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,1,0,0,0|1,0,0]=3 1338 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,1,0,0,0|0,0,0]=2 1339 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,1,1,0,0,0|1,0,0]=3 1340 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,1,1,0,0,0|1,0,0]=3 1341 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,1,0,0,0|2,0,0]=4 1342 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,1,1,0,0,0|1,0,1]=4 1343 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,1,0,0,0|1,0,0]=3 1344 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,1,0,0,0|0,0,0]=2 1345 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,1,1,0,0,0|1,0,0]=3 1346 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,1,1,0,0,0|2,0,0]=4 1347 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,1,1,0,0,0|1,0,0]=3 1348 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,1,0,0,0|1,0,1]=4 1349 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,1,0,0,0|1,0,1]=4 1350 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,1,1,0,0,0|1,0,1]=4 1351 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,1,1,0,0,0|0,0,1]=3 1352 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,1,1,0,0,0|0,0,1]=3 1353 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,1,1,0,0,0|1,0,1]=4 1354 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,1,1,0,0,0|1,0,1]=4 1355 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,1,0,0,0|1,0,1]=4 1356 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,1,0,0,0|1,0,1]=4 1357 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,1,0,0,0|1,0,1]=4 1358 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,1,0,0,0|1,0,0]=3 1359 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,1,1,0,0,0|2,0,0]=4 1360 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,1,0,0,0|1,0,1]=4 1361 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,1,0,0,0|1,0,1]=4 1362 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,1,0,0,0|1,0,1]=4 1363 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,1,0,0,0|0,0,1]=3 1364 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,1,0,0,0|0,0,1]=3 1365 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,1,0,0,0|1,0,1]=4 1366 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,1,0,0,0|1,0,1]=4 1367 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 1368 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 1369 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 1370 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,1,0,0,0|1,0,0]=3 1371 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,1,0,0,0|1,0,0]=3 1372 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,1,1,0,0,0|2,0,0]=4 1373 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,1,1,0,0,0|2,0,0]=4 1374 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,1,0,0,0|1,0,1]=4 1375 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,1,1,0,0,0|1,0,1]=4 1376 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,1,0,0,0|0,0,1]=3 1377 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,1,1,0,0,0|1,0,1]=4 1378 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,1,0,0,0|1,0,1]=4 1379 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,1,0,0,0|1,0,1]=4 1380 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,1,0,0,0|0,0,1]=3 1381 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,1,0,0,0|1,0,1]=4 1382 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,1,0,0,0|1,0,1]=4 1383 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,1,0,0,0|1,0,0]=3 1384 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,1,0,0,0|1,0,0]=3 1385 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,1,0,0,0|0,0,0]=2 1386 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,1,0,0,0|0,0,0]=2 1387 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,1,0,0,0|1,0,0]=3 1388 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,1,0,0,0|1,0,0]=3 1389 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,1,0,0,0|1,0,0]=3 1390 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,1,0,0,0|1,0,0]=3 1391 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,1,0,0,0|1,0,0]=3 1392 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,1,0,0,0|1,0,0]=3 1393 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,1,0,0,0|1,0,0]=3 1394 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,1,0,0,0|1,0,0]=3 1395 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|1,0,0]=3 1396 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|1,0,0]=3 1397 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|1,0,0]=3 1398 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,1,0,0,0|2,0,0]=4 1399 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,1,0,0,0|1,0,1]=4 1400 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,1,0,0,0|1,0,1]=4 1401 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,1,0,0,0|1,0,1]=4 1402 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,1,0,0,0|2,0,0]=4 1403 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,1,0,0,0|2,0,0]=4 1404 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1405 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1406 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1407 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1408 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1409 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1410 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1411 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1412 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,1,0,0,0|1,0,1]=4 1413 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,1,0,0,0|0,0,0]=2 1414 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,1,0,0,0|2,0,0]=4 1415 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,1,0,0,0|2,0,0]=4 1416 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,1,0,0,0|2,0,0]=4 1417 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,1,0,0,0|2,0,0]=4 1418 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,1,0,0,0|2,0,0]=4 1419 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,1,0,0,0|2,0,0]=4 1420 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,1,0,0,0|2,0,0]=4 1421 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,1,0,0,0|2,0,0]=4 1422 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,1,0,0,0|2,0,0]=4 1423 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,1,0,0,0|2,0,0]=4 1424 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,1,0,0,0|2,0,0]=4 1425 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,1,0,0,0|2,0,0]=4 1426 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,1,0,0,0|2,0,0]=4 1427 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,1,0,0,0|2,0,0]=4 1428 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,1,0,0,0|2,0,0]=4 1429 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,1,0,0,0|2,0,0]=4 1430 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 1431 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 1432 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,1,0,0,0|2,0,0]=4 1433 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,1,0,0,0|1,0,1]=4 1434 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,1,0,0,0|1,0,1]=4 1435 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,1,0,0,0|1,0,1]=4 1436 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,1,0,0,0|2,0,0]=4 1437 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,1,0,0,0|2,0,0]=4 1438 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,1,0,0,0|2,0,0]=4 1439 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,1,0,0,0|2,0,0]=4 1440 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,1,0,0,0|2,0,0]=4 1441 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,1,0,0,0|2,0,0]=4 1442 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,1,0,0,0|2,0,0]=4 1443 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,1,0,0,0|2,0,0]=4 1444 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,1,0,0,0|1,0,1]=4 1445 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,1,0,0,0|0,0,2]=4 1446 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,1,0,0,0|0,0,2]=4 1447 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,1,0,0,0|0,0,2]=4 1448 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,1,0,0,0|1,0,1]=4 1449 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,1,0,0,0|1,0,1]=4 1450 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [0,1,1,0,0,0|2,0,0]=4 1451 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [0,1,1,0,0,0|2,0,0]=4 1452 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [0,1,1,0,0,0|2,0,0]=4 1453 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [0,1,1,0,0,0|2,0,0]=4 1454 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [0,1,1,0,0,0|2,0,0]=4 1455 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [0,1,1,0,0,0|2,0,0]=4 1456 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,1,0,0,0|1,0,0]=3 1457 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,1,0,0,0|1,0,0]=3 1458 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,1,0,0,0|1,0,0]=3 1459 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,1,0,0,0|1,0,0]=3 1460 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,1,1,0,0,0|1,0,1]=4 1461 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,1,0,0,0|1,0,0]=3 1462 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,1,0,0,0|0,0,0]=2 1463 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,1,0,0,0|1,0,0]=3 1464 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,1,1,0,0,0|2,0,0]=4 1465 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,1,1,0,0,0|2,0,0]=4 1466 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,1,1,0,0,0|1,0,1]=4 1467 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,1,0,0,0|1,0,0]=3 1468 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,1,0,0,0|0,0,0]=2 1469 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,1,0,0,0|1,0,0]=3 1470 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,1,0,0,0|1,0,0]=3 1471 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,1,0,0,0|2,0,0]=4 1472 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,1,0,0,0|2,0,0]=4 1473 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,1,1,0,0,0|1,0,1]=4 1474 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,1,1,0,0,0|0,0,1]=3 1475 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,1,1,0,0,0|0,0,1]=3 1476 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,1,0,0,0|0,0,2]=4 1477 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,1,0,0,0|0,0,2]=4 1478 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,1,0,0,0|0,0,2]=4 1479 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,1,0,0,0|0,0,0]=2 1480 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,1,0,0,0|0,0,0]=2 1481 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [0,1,1,0,0,0|2,0,0]=4 1482 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [0,1,1,0,0,0|2,0,0]=4 1483 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,1,0,0,0|1,0,0]=3 1484 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,1,0,0,0|1,0,0]=3 1485 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,1,0,0,0|1,0,1]=4 1486 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,1,0,0,0|1,0,1]=4 1487 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,1,1,0,0,0|2,0,0]=4 1488 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,1,0,0,0|1,0,1]=4 1489 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,1,0,0,0|1,0,1]=4 1490 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,1,0,0,0|1,0,0]=3 1491 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,1,0,0,0|1,0,0]=3 1492 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,1,0,0,0|2,0,0]=4 1493 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,1,0,0,0|2,0,0]=4 1494 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,1,0,0,0|2,0,0]=4 1495 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,1,0,0,0|2,0,0]=4 1496 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,1,0,0,0|2,0,0]=4 1497 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,1,0,0,0|2,0,0]=4 1498 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,1,0,0,0|2,0,0]=4 1499 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,1,0,0,0|2,0,0]=4 1500 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,1,0,0,0|1,0,0]=3 1501 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,1,0,0,0|0,0,0]=2 1502 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,1,0,0,0|2,0,0]=4 1503 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,1,0,0,0|2,0,0]=4 1504 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,1,0,0,0|2,0,0]=4 1505 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,1,0,0,0|2,0,0]=4 1506 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,1,0,0,0|2,0,0]=4 1507 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,1,0,0,0|2,0,0]=4 1508 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,1,0,0,0|2,0,0]=4 1509 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 1510 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 1511 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 1512 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,1,0,0,0|2,0,0]=4 1513 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,1,0,0,0|2,0,0]=4 1514 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,1,0,0,0|2,0,0]=4 1515 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,1,0,0,0|2,0,0]=4 1516 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,1,0,0,0|2,0,0]=4 1517 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,1,0,0,0|2,0,0]=4 1518 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,1,0,0,0|2,0,0]=4 1519 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,1,0,0,0|2,0,0]=4 1520 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,1,0,0,0|2,0,0]=4 1521 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,1,0,0,0|2,0,0]=4 1522 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,1,0,0,0|1,0,0]=3 1523 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,1,0,0,0|1,0,0]=3 1524 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,1,1,0,0,0|1,0,1]=4 1525 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,1,1,0,0,0|1,0,1]=4 1526 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,1,1,0,0,0|1,0,1]=4 1527 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,1,1,0,0,0|1,0,0]=3 1528 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,1,1,0,0,0|1,0,0]=3 1529 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,1,1,0,0,0|2,0,0]=4 1530 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,1,1,0,0,0|2,0,0]=4 1531 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,1,1,0,0,0|1,0,1]=4 1532 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,1,1,0,0,0|1,0,1]=4 1533 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,1,0,0,0|1,0,1]=4 1534 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,1,1,0,0,0|1,0,1]=4 1535 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,1,0,0,0|1,0,1]=4 1536 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,1,0,0,0|1,0,1]=4 1537 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [0,1,1,0,0,0|1,0,1]=4 1538 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,1,0,0,0|1,0,0]=3 1539 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,1,0,0,0|1,0,0]=3 1540 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,1,1,0,0,0|2,0,0]=4 1541 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,1,1,0,0,0|2,0,0]=4 1542 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,1,0,0,0|2,0,0]=4 1543 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,1,0,0,0|2,0,0]=4 1544 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,1,0,0,0|2,0,0]=4 1545 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,1,0,0,0|2,0,0]=4 1546 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,1,1,0,0,0|2,0,0]=4 1547 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,1,1,0,0,0|2,0,0]=4 1548 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [0,1,1,0,0,0|2,0,0]=4 1549 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [0,1,1,0,0,0|2,0,0]=4 1550 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [0,1,1,0,0,0|2,0,0]=4 1551 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [0,1,1,0,0,0|2,0,0]=4 1552 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [0,1,1,0,0,0|2,0,0]=4 1553 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [0,1,1,0,0,0|2,0,0]=4 1554 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,1,1,0,0,0|1,0,1]=4 1555 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,1,1,0,0,0|0,0,1]=3 1556 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,1,0,0,0|1,0,1]=4 1557 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,1,1,0,0,0|1,0,1]=4 1558 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,1,1,0,0,0|1,0,1]=4 1559 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,1,1,0,0,0|1,0,1]=4 1560 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,1,1,0,0,0|1,0,1]=4 1561 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,1,1,0,0,0|1,0,1]=4 1562 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,1,1,0,0,0|1,0,1]=4 1563 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,1,1,0,0,0|0,1,1]=4 1564 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,1,1,0,0,0|0,1,1]=4 1565 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,1,1,0,0,0|1,0,1]=4 1566 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,1,1,0,0,0|1,0,1]=4 1567 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,1,1,0,0,0|1,0,1]=4 1568 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,1,1,0,0,0|1,0,1]=4 1569 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,1,1,0,0,0|1,0,1]=4 1570 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,1,1,0,0,0|2,0,0]=4 1571 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,1,1,0,0,0|2,0,0]=4 1572 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,1,0,0,0|2,0,0]=4 1573 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,1,1,0,0,0|0,0,0]=2 1574 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,1,1,0,0,0|0,0,0]=2 1575 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,1,1,0,0,0|0,1,0]=3 1576 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,1,1,0,0,0|0,1,0]=3 1577 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,1,1,0,0,0|2,0,0]=4 1578 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,1,1,0,0,0|2,0,0]=4 1579 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,1,0,0,0|2,0,0]=4 1580 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,1,1,0,0,0|2,0,0]=4 1581 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,1,1,0,0,0|2,0,0]=4 1582 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,1,1,0,0,0|1,0,0]=3 1583 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,1,1,0,0,0|1,0,0]=3 1584 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,1,1,0,0,0|1,1,0]=4 1585 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,1,1,0,0,0|1,1,0]=4 1586 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,1,1,0,0,0|1,0,1]=4 1587 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,1,0,0,0|1,0,0]=3 1588 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,1,0,0,0|1,0,0]=3 1589 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,1,0,0,0|1,0,0]=3 1590 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,1,0,0,0|1,0,0]=3 1591 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,1,0,0,0|2,0,0]=4 1592 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,1,0,0,0|2,0,0]=4 1593 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,1,1,0,0,0|1,0,0]=3 1594 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,1,1,0,0,0|2,0,0]=4 1595 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,1,1,0,0,0|2,0,0]=4 1596 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,1,1,0,0,0|2,0,0]=4 1597 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,1,1,0,0,0|2,0,0]=4 1598 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,1,1,0,0,0|2,0,0]=4 1599 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,1,1,0,0,0|0,0,0]=2 1600 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,1,1,0,0,0|0,0,0]=2 1601 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,1,1,0,0,0|0,0,0]=2 1602 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,1,1,0,0,0|1,0,0]=3 1603 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,1,1,0,0,0|1,0,0]=3 1604 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,1,1,0,0,0|1,0,0]=3 1605 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,1,1,0,0,0|0,0,0]=2 1606 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,1,1,0,0,0|1,0,1]=4 1607 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,1,1,0,0,0|2,0,0]=4 1608 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,1,1,0,0,0|0,1,0]=3 1609 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,1,1,0,0,0|0,1,0]=3 1610 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,1,1,0,0,0|1,1,0]=4 1611 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,1,1,0,0,0|1,1,0]=4 1612 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [0,1,1,0,0,0|2,0,0]=4 1613 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [0,1,1,0,0,0|2,0,0]=4 1614 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [0,1,1,0,0,0|1,0,0]=3 1615 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [0,1,1,0,0,0|1,0,0]=3 1616 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [0,1,1,0,0,0|1,0,0]=3 1617 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [0,1,1,0,0,0|0,0,0]=2 1618 B7R0.14 CCC(=O)C(F)(F)F 1458a_100000210414_200000243211 [0,1,1,0,0,0|2,0,0]=4 1619 B7R0.14 CCC(=O)C(F)(F)F 1458a_100015355933_100000210202 [0,1,1,0,0,0|2,0,0]=4 1620 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [0,1,1,0,0,0|2,0,0]=4 1621 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [0,1,1,0,0,0|2,0,0]=4 1622 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [0,1,1,0,0,0|2,0,0]=4 1623 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [0,1,1,0,0,0|2,0,0]=4 1624 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [0,1,1,0,0,0|2,0,0]=4 1625 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [0,1,1,0,0,0|2,0,0]=4 1626 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [0,1,1,0,0,0|2,0,0]=4 1627 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [0,1,1,0,0,0|2,0,0]=4 1628 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [0,1,1,0,0,0|1,0,0]=3 1629 B7R0.14 CNC(=O)C(C)(F)F 11a_106832991635_100000042251 [0,1,1,0,0,0|2,0,0]=4 1630 B7R0.14 CNC(=O)C(C)(F)F 1626a_100102657272_100000042251 [0,1,1,0,0,0|2,0,0]=4 1631 B7R0.14 CNC(=O)C(C)(F)F 240690a_100102657272_100000042251 [0,1,1,0,0,0|2,0,0]=4 1632 B7R0.14 CNC(=O)C(C)(F)F 527a_100102657272_100000042251 [0,1,1,0,0,0|2,0,0]=4 1633 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,1,1,0,0,0|1,0,1]=4 1634 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,1,0,0,0|1,0,0]=3 1635 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,1,0,0,0|1,0,0]=3 1636 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,1,0,0,0|1,0,0]=3 1637 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,1,0,0,0|2,0,0]=4 1638 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,1,0,0,0|2,0,0]=4 1639 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,1,0,0,0|2,0,0]=4 1640 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,1,0,0,0|2,0,0]=4 1641 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,1,0,0,0|2,0,0]=4 1642 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,1,0,0,0|2,0,0]=4 1643 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,1,0,0,0|2,0,0]=4 1644 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,1,0,0,0|0,0,0]=2 1645 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,1,0,0,0|1,0,0]=3 1646 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,1,0,0,0|0,0,0]=2 1647 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,1,0,0,0|1,0,1]=4 1648 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,1,0,0,0|1,0,1]=4 1649 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,1,0,0,0|1,0,1]=4 1650 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,1,0,0,0|1,0,1]=4 1651 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,1,0,0,0|1,1,0]=4 1652 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,1,0,0,0|1,1,0]=4 1653 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,1,0,0,0|1,1,0]=4 1654 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,1,0,0,0|1,1,0]=4 1655 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,1,0,0,0|2,0,0]=4 1656 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,1,0,0,0|2,0,0]=4 1657 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,1,0,0,0|2,0,0]=4 1658 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,1,0,0,0|2,0,0]=4 1659 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,1,0,0,0|2,0,0]=4 1660 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,1,0,0,0|2,0,0]=4 1661 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,1,0,0,0|1,0,1]=4 1662 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,1,0,0,0|1,0,1]=4 1663 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,1,0,0,0|1,0,1]=4 1664 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,1,0,0,0|1,0,1]=4 1665 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,1,0,0,0|2,0,0]=4 1666 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1667 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1668 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,1,1,0,0,0|1,0,1]=4 1669 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,1,1,0,0,0|0,0,0]=2 1670 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,1,1,0,0,0|0,0,0]=2 1671 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,1,0,0,0|2,0,0]=4 1672 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1673 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1674 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,1,0,0,0|1,0,1]=4 1675 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,1,0,0,0|1,0,0]=3 1676 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,1,0,0,0|2,0,0]=4 1677 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,1,0,0,0|1,0,0]=3 1678 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,1,0,0,0|1,0,0]=3 1679 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,1,0,0,0|1,0,0]=3 1680 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,1,0,0,0|2,0,0]=4 1681 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,1,0,0,0|2,0,0]=4 1682 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,1,0,0,0|2,0,0]=4 1683 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,1,0,0,0|2,0,0]=4 1684 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,1,0,0,0|1,0,0]=3 1685 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,1,0,0,0|2,0,0]=4 1686 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,1,0,0,0|2,0,0]=4 1687 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,1,0,0,0|2,0,0]=4 1688 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1689 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1690 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,1,1,0,0,0|1,0,0]=3 1691 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,1,1,0,0,0|1,0,0]=3 1692 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,1,0,0,0|1,0,0]=3 1693 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 1694 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 1695 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 1696 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,1,1,0,0,0|2,0,0]=4 1697 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,1,0,0,0|0,0,0]=2 1698 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,1,0,0,0|0,0,0]=2 1699 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,1,0,0,0|1,0,0]=3 1700 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,1,0,0,0|2,0,0]=4 1701 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 1702 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 1703 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 1704 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,1,1,0,0,0|2,0,0]=4 1705 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,1,1,0,0,0|2,0,0]=4 1706 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,1,0,0,0|1,0,0]=3 1707 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,1,1,0,0,0|1,0,0]=3 1708 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,1,1,0,0,0|1,0,0]=3 1709 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,1,1,0,0,0|1,0,0]=3 1710 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,1,1,0,0,0|1,0,1]=4 1711 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,1,1,0,0,0|1,0,1]=4 1712 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,1,1,0,0,0|1,0,1]=4 1713 B7R0.1 C#CCCOCCBr 34a_100000211926_100000688953 [0,1,1,0,0,0|1,0,1]=4 1714 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,1,0,0,0|1,0,1]=4 1715 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,1,0,0,0|1,0,1]=4 1716 B7R0.1 C#CCCOCCF 34a_100011215631_100011217306 [0,1,1,0,0,0|1,0,1]=4 1717 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,1,1,0,0,0|1,0,1]=4 1718 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,1,1,0,0,0|1,0,1]=4 1719 B7R0.1 C#CCCOCSC 34a_100011215631_100011218213 [0,1,1,0,0,0|1,0,1]=4 1720 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,1,1,0,0,0|1,0,1]=4 1721 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,1,1,0,0,0|1,0,1]=4 1722 B7R0.1 C#CCSCOCC 62a_100000038162_100000739092 [0,1,1,0,0,0|1,0,1]=4 1723 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,1,1,0,0,0|1,0,0]=3 1724 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [0,1,1,0,0,0|2,0,0]=4 1725 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,1,1,0,0,0|1,0,1]=4 1726 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [0,1,1,0,0,0|1,0,1]=4 1727 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,1,0,0,0|1,0,1]=4 1728 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,1,0,0,0|1,0,1]=4 1729 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [0,1,1,0,0,0|1,0,1]=4 1730 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,1,1,0,0,0|1,0,1]=4 1731 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [0,1,1,0,0,0|1,0,1]=4 1732 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [0,1,1,0,0,0|1,0,1]=4 1733 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,1,1,0,0,0|1,0,1]=4 1734 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,1,1,0,0,0|1,0,1]=4 1735 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,1,0,0,0|2,0,0]=4 1736 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,1,0,0,0|2,0,0]=4 1737 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,1,0,0,0|2,0,0]=4 1738 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,1,0,0,0|2,0,0]=4 1739 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,1,0,0,0|2,0,0]=4 1740 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,1,0,0,0|2,0,0]=4 1741 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,1,0,0,0|2,0,0]=4 1742 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,1,0,0,0|2,0,0]=4 1743 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,1,0,0,0|2,0,0]=4 1744 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,1,0,0,0|2,0,0]=4 1745 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,1,0,0,0|2,0,0]=4 1746 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,1,0,0,0|2,0,0]=4 1747 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,1,0,0,0|2,0,0]=4 1748 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,1,0,0,0|2,0,0]=4 1749 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,1,0,0,0|2,0,0]=4 1750 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,1,0,0,0|2,0,0]=4 1751 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,1,0,0,0|2,0,0]=4 1752 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,1,0,0,0|2,0,0]=4 1753 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,1,0,0,0|2,0,0]=4 1754 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,1,0,0,0|1,0,0]=3 1755 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,1,0,0,0|1,0,0]=3 1756 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,1,0,0,0|1,0,0]=3 1757 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,1,1,0,0,0|2,0,0]=4 1758 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,1,1,0,0,0|2,0,0]=4 1759 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,1,0,0,0|1,1,0]=4 1760 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,1,0,0,0|1,1,0]=4 1761 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,1,0,0,0|2,0,0]=4 1762 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,1,0,0,0|2,0,0]=4 1763 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,1,0,0,0|2,0,0]=4 1764 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,1,0,0,0|2,0,0]=4 1765 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,1,0,0,0|2,0,0]=4 1766 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,1,0,0,0|2,0,0]=4 1767 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,1,0,0,0|2,0,0]=4 1768 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,1,0,0,0|2,0,0]=4 1769 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,1,1,0,0,0|1,0,1]=4 1770 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,1,1,0,0,0|1,0,1]=4 1771 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,1,1,0,0,0|1,0,1]=4 1772 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,1,0,0,0|1,0,0]=3 1773 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,1,0,0,0|1,0,0]=3 1774 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,1,0,0,0|1,0,0]=3 1775 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,1,0,0,0|1,0,0]=3 1776 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,1,0,0,0|1,0,0]=3 1777 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,1,0,0,0|1,0,0]=3 1778 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,1,1,0,0,0|1,0,0]=3 1779 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,1,0,0,0|1,1,0]=4 1780 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,1,0,0,0|1,1,0]=4 1781 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,1,1,0,0,0|1,1,0]=4 1782 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,1,1,0,0,0|1,1,0]=4 1783 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,1,0,0,0|1,1,0]=4 1784 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,1,0,0,0|1,1,0]=4 1785 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,1,1,0,0,0|1,1,0]=4 1786 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,1,1,0,0,0|1,1,0]=4 1787 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,1,1,0,0,0|1,1,0]=4 1788 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,1,1,0,0,0|1,1,0]=4 1789 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,1,0,0,0|2,0,0]=4 1790 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,1,0,0,0|2,0,0]=4 1791 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,1,0,0,0|2,0,0]=4 1792 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,1,0,0,0|2,0,0]=4 1793 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,1,0,0,0|2,0,0]=4 1794 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,1,0,0,0|2,0,0]=4 1795 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,1,0,0,0|2,0,0]=4 1796 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,1,0,0,0|2,0,0]=4 1797 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,1,1,0,0,0|1,0,0]=3 1798 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,1,1,0,0,0|1,0,0]=3 1799 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,1,1,0,0,0|2,0,0]=4 1800 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,1,1,0,0,0|1,0,0]=3 1801 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,1,1,0,0,0|1,0,0]=3 1802 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [0,1,1,0,0,0|2,0,0]=4 1803 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,1,1,0,0,0|1,1,0]=4 1804 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,1,1,0,0,0|1,1,0]=4 1805 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [0,1,1,0,0,0|1,0,1]=4 1806 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [0,1,1,0,0,0|1,0,1]=4 1807 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [0,1,1,0,0,0|1,0,1]=4 1808 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [0,1,1,0,0,0|1,0,1]=4 1809 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,1,1,0,0,0|1,0,1]=4 1810 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,1,1,0,0,0|1,0,1]=4 1811 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,1,1,0,0,0|1,0,1]=4 1812 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,1,1,0,0,0|1,0,1]=4 1813 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [0,1,1,0,0,0|1,0,1]=4 1814 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,1,0,0,0|1,0,1]=4 1815 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,1,1,0,0,0|1,0,1]=4 1816 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,1,1,0,0,0|1,0,1]=4 1817 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,1,1,0,0,0|1,0,1]=4 1818 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,1,0,0,0|1,0,1]=4 1819 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,1,0,0,0|1,0,1]=4 1820 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,1,0,0,0|1,0,1]=4 1821 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,1,0,0,0|1,0,0]=3 1822 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,1,0,0,0|1,0,0]=3 1823 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,1,0,0,0|1,0,0]=3 1824 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,1,0,0,0|1,0,0]=3 1825 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,1,0,0,0|1,0,1]=4 1826 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,1,0,0,0|1,0,1]=4 1827 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,1,0,0,0|1,0,1]=4 1828 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,1,0,0,0|1,0,1]=4 1829 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,1,0,0,0|1,0,1]=4 1830 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,1,0,0,0|1,0,1]=4 1831 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,1,0,0,0|1,0,1]=4 1832 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,1,0,0,0|1,0,1]=4 1833 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,1,0,0,0|1,0,1]=4 1834 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,1,0,0,0|1,0,1]=4 1835 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,1,0,0,0|1,0,1]=4 1836 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,1,0,0,0|1,0,1]=4 1837 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,1,0,0,0|1,0,1]=4 1838 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,1,0,0,0|1,0,1]=4 1839 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,1,0,0,0|1,0,1]=4 1840 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,1,0,0,0|1,0,1]=4 1841 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,1,0,0,0|1,0,1]=4 1842 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,1,0,0,0|1,0,0]=3 1843 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,1,0,0,0|1,0,0]=3 1844 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,1,0,0,0|1,0,1]=4 1845 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,1,0,0,0|1,0,1]=4 1846 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,1,0,0,0|1,0,1]=4 1847 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,1,0,0,0|1,0,1]=4 1848 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,1,0,0,0|1,0,1]=4 1849 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,1,0,0,0|0,0,2]=4 1850 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,1,0,0,0|2,0,0]=4 1851 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,1,0,0,0|2,0,0]=4 1852 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,1,0,0,0|2,0,0]=4 1853 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,1,0,0,0|2,0,0]=4 1854 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,1,0,0,0|2,0,0]=4 1855 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,1,0,0,0|2,0,0]=4 1856 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,1,0,0,0|2,0,0]=4 1857 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,1,0,0,0|2,0,0]=4 1858 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,1,0,0,0|2,0,0]=4 1859 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,1,0,0,0|2,0,0]=4 1860 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,1,0,0,0|2,0,0]=4 1861 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,1,0,0,0|2,0,0]=4 1862 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,1,0,0,0|2,0,0]=4 1863 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,1,0,0,0|2,0,0]=4 1864 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,1,0,0,0|2,0,0]=4 1865 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,1,0,0,0|2,0,0]=4 1866 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,1,0,0,0|2,0,0]=4 1867 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,1,0,0,0|2,0,0]=4 1868 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,1,0,0,0|2,0,0]=4 1869 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,1,0,0,0|2,0,0]=4 1870 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,1,0,0,0|2,0,0]=4 1871 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,1,0,0,0|2,0,0]=4 1872 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,1,0,0,0|1,0,1]=4 1873 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,1,0,0,0|1,0,1]=4 1874 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,1,0,0,0|1,0,0]=3 1875 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,1,1,0,0,0|1,0,1]=4 1876 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,1,1,0,0,0|1,0,1]=4 1877 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,1,1,0,0,0|1,0,1]=4 1878 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,1,0,0,0|1,0,1]=4 1879 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,1,0,0,0|1,0,1]=4 1880 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,1,0,0,0|1,0,1]=4 1881 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,1,0,0,0|1,0,1]=4 1882 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,1,0,0,0|1,0,1]=4 1883 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,1,0,0,0|1,0,1]=4 1884 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,1,0,0,0|1,0,1]=4 1885 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,1,0,0,0|1,0,1]=4 1886 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,1,0,0,0|0,0,2]=4 1887 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,1,1,0,0,0|1,0,1]=4 1888 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,1,1,0,0,0|1,0,1]=4 1889 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,1,1,0,0,0|1,0,1]=4 1890 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,1,1,0,0,0|1,0,1]=4 1891 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,1,1,0,0,0|1,0,1]=4 1892 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,1,1,0,0,0|1,0,1]=4 1893 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,1,1,0,0,0|1,0,1]=4 1894 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,1,1,0,0,0|1,0,1]=4 1895 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,1,0,0,0|0,0,2]=4 1896 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,1,0,0,0|0,0,2]=4 1897 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,1,0,0,0|0,0,2]=4 1898 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,1,0,0,0|0,0,2]=4 1899 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,1,0,0,0|0,0,2]=4 1900 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,1,0,0,0|0,0,2]=4 1901 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,1,0,0,0|0,0,2]=4 1902 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,1,1,0,0,0|0,1,1]=4 1903 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,1,1,0,0,0|0,1,1]=4 1904 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,1,1,0,0,0|0,1,1]=4 1905 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,1,1,0,0,0|0,1,1]=4 1906 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,1,1,0,0,0|0,1,1]=4 1907 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,1,1,0,0,0|0,1,1]=4 1908 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,1,1,0,0,0|1,0,1]=4 1909 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,1,1,0,0,0|1,0,1]=4 1910 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,1,1,0,0,0|1,0,1]=4 1911 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,1,1,0,0,0|1,0,1]=4 1912 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,1,1,0,0,0|1,0,1]=4 1913 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,1,1,0,0,0|1,0,1]=4 1914 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,1,1,0,0,0|1,0,1]=4 1915 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,1,1,0,0,0|1,0,1]=4 1916 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,1,1,0,0,0|1,0,1]=4 1917 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,1,1,0,0,0|1,0,1]=4 1918 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,1,1,0,0,0|1,0,1]=4 1919 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,1,1,0,0,0|1,0,1]=4 1920 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,1,1,0,0,0|1,0,1]=4 1921 B7R0.1 CCOCSCC#N 62a_100000739092_100011215382 [0,1,1,0,0,0|1,0,1]=4 1922 B7R0.1 CCOCSCC#N 62a_100011215382_100000739092 [0,1,1,0,0,0|1,0,1]=4 1923 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,1,1,0,0,0|0,0,0]=2 1924 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,1,1,0,0,0|0,0,0]=2 1925 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,1,1,0,0,0|1,0,1]=4 1926 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,1,1,0,0,0|1,0,1]=4 1927 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,1,1,0,0,0|0,0,2]=4 1928 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,1,1,0,0,0|0,0,2]=4 1929 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,1,1,0,0,0|2,0,0]=4 1930 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,1,1,0,0,0|2,0,0]=4 1931 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,1,1,0,0,0|2,0,0]=4 1932 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,1,1,0,0,0|2,0,0]=4 1933 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,1,0,0,0|0,1,0]=3 1934 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,1,0,0,0|0,1,0]=3 1935 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,1,0,0,0|1,0,0]=3 1936 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,1,0,0,0|1,0,0]=3 1937 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,1,1,0,0,0|2,0,0]=4 1938 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,1,1,0,0,0|2,0,0]=4 1939 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,1,1,0,0,0|2,0,0]=4 1940 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,1,1,0,0,0|2,0,0]=4 1941 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,1,1,0,0,0|2,0,0]=4 1942 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,1,1,0,0,0|2,0,0]=4 1943 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,1,0,0,0|2,0,0]=4 1944 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,1,0,0,0|2,0,0]=4 1945 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,1,1,0,0,0|2,0,0]=4 1946 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,1,1,0,0,0|2,0,0]=4 1947 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,1,1,0,0,0|2,0,0]=4 1948 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,1,1,0,0,0|2,0,0]=4 1949 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,1,1,0,0,0|2,0,0]=4 1950 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,1,1,0,0,0|2,0,0]=4 1951 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,1,1,0,0,0|2,0,0]=4 1952 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,1,1,0,0,0|2,0,0]=4 1953 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,1,1,0,0,0|2,0,0]=4 1954 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,1,1,0,0,0|2,0,0]=4 1955 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,1,1,0,0,0|2,0,0]=4 1956 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,1,1,0,0,0|2,0,0]=4 1957 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,1,1,0,0,0|2,0,0]=4 1958 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,1,1,0,0,0|2,0,0]=4 1959 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,1,1,0,0,0|2,0,0]=4 1960 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,1,1,0,0,0|2,0,0]=4 1961 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,1,1,0,0,0|2,0,0]=4 1962 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,1,1,0,0,0|2,0,0]=4 1963 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,1,1,0,0,0|2,0,0]=4 1964 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,1,1,0,0,0|2,0,0]=4 1965 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,1,1,0,0,0|2,0,0]=4 1966 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,1,0,0,0|1,0,0]=3 1967 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,1,0,0,0|1,0,0]=3 1968 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,1,0,0,0|2,0,0]=4 1969 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,1,0,0,0|2,0,0]=4 1970 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,1,0,0,0|2,0,0]=4 1971 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,1,0,0,0|2,0,0]=4 1972 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,1,0,0,0|2,0,0]=4 1973 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,1,0,0,0|2,0,0]=4 1974 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,1,0,0,0|2,0,0]=4 1975 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,1,0,0,0|2,0,0]=4 1976 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,1,0,0,0|2,0,0]=4 1977 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,1,0,0,0|2,0,0]=4 1978 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,1,0,0,0|2,0,0]=4 1979 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,1,1,0,0,0|2,0,0]=4 1980 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,1,1,0,0,0|2,0,0]=4 1981 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,1,1,0,0,0|2,0,0]=4 1982 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,1,1,0,0,0|1,0,1]=4 1983 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,1,1,0,0,0|1,0,1]=4 1984 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,1,1,0,0,0|1,0,1]=4 1985 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,1,1,0,0,0|1,0,1]=4 1986 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,1,1,0,0,0|2,0,0]=4 1987 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,1,1,0,0,0|1,0,1]=4 1988 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,1,1,0,0,0|1,0,1]=4 1989 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,1,1,0,0,0|1,0,1]=4 1990 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,1,1,0,0,0|1,0,1]=4 1991 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,1,0,0,0|2,0,0]=4 1992 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,1,1,0,0,0|1,0,1]=4 1993 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,1,1,0,0,0|1,0,1]=4 1994 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,1,1,0,0,0|1,0,1]=4 1995 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,1,1,0,0,0|0,0,2]=4 1996 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,1,1,0,0,0|2,0,0]=4 1997 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,1,1,0,0,0|2,0,0]=4 1998 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,1,1,0,0,0|1,1,0]=4 1999 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,1,1,0,0,0|1,1,0]=4 2000 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,1,0,0,0|2,0,0]=4 2001 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,1,0,0,0|2,0,0]=4 2002 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,1,0,0,0|2,0,0]=4 2003 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,1,0,0,0|2,0,0]=4 2004 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,1,0,0,0|2,0,0]=4 2005 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,1,1,0,0,0|2,0,0]=4 2006 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,1,1,0,0,0|2,0,0]=4 2007 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,1,0,0,0|2,0,0]=4 2008 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,1,0,0,0|2,0,0]=4 2009 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,1,1,0,0,0|0,0,2]=4 2010 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,1,1,0,0,0|1,0,1]=4 2011 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,1,1,0,0,0|1,0,1]=4 2012 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,1,1,0,0,0|1,0,1]=4 2013 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,1,1,0,0,0|2,0,0]=4 2014 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,1,1,0,0,0|2,0,0]=4 2015 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,1,1,0,0,0|2,0,0]=4 2016 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,1,1,0,0,0|2,0,0]=4 2017 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,1,1,0,0,0|2,0,0]=4 2018 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,1,1,0,0,0|2,0,0]=4 2019 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,1,1,0,0,0|2,0,0]=4 2020 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,1,1,0,0,0|2,0,0]=4 2021 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,1,1,0,0,0|2,0,0]=4 2022 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,1,1,0,0,0|2,0,0]=4 2023 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,1,1,0,0,0|2,0,0]=4 2024 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,1,0,0,0|1,0,0]=3 2025 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,1,0,0,0|1,0,0]=3 2026 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,1,0,0,0|2,0,0]=4 2027 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,1,0,0,0|2,0,0]=4 2028 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,1,1,0,0,0|1,0,1]=4 2029 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,1,1,0,0,0|1,0,1]=4 2030 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,1,1,0,0,0|1,0,1]=4 2031 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,1,1,0,0,0|1,0,1]=4 2032 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,1,0,0,0|1,0,0]=3 2033 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,1,1,0,0,0|2,0,0]=4 2034 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,1,0,0,0|2,0,0]=4 2035 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,1,0,0,0|1,0,0]=3 2036 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,1,0,0,0|1,0,0]=3 2037 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,1,1,0,0,0|2,0,0]=4 2038 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,1,0,0,0|1,1,0]=4 2039 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,1,0,0,0|1,1,0]=4 2040 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,1,1,0,0,0|2,0,0]=4 2041 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,1,1,0,0,0|2,0,0]=4 2042 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,1,1,0,0,0|2,0,0]=4 2043 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,1,1,0,0,0|1,0,0]=3 2044 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,1,1,0,0,0|1,0,0]=3 2045 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,1,1,0,0,0|1,1,0]=4 2046 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,1,1,0,0,0|1,1,0]=4 2047 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,1,0,0,0|0,0,2]=4 2048 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,1,0,0,0|2,0,0]=4 2049 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,1,0,0,0|2,0,0]=4 2050 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,1,0,0,0|2,0,0]=4 2051 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,1,0,0,0|2,0,0]=4 2052 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,1,0,0,0|2,0,0]=4 2053 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,1,0,0,0|2,0,0]=4 2054 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,1,0,0,0|2,0,0]=4 2055 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,1,0,0,0|1,0,0]=3 2056 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,1,0,0,0|1,0,0]=3 2057 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,1,0,0,0|1,1,0]=4 2058 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,1,0,0,0|1,1,0]=4 2059 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,1,0,0,0|2,0,0]=4 2060 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,1,0,0,0|2,0,0]=4 2061 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,1,0,0,0|2,0,0]=4 2062 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,1,0,0,0|2,0,0]=4 2063 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,1,0,0,0|2,0,0]=4 2064 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,1,0,0,0|2,0,0]=4 2065 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,1,1,0,0,0|1,0,1]=4 2066 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,1,1,0,0,0|1,0,1]=4 2067 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,1,1,0,0,0|1,0,1]=4 2068 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,1,1,0,0,0|1,0,1]=4 2069 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,1,1,0,0,0|1,0,1]=4 2070 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,1,1,0,0,0|0,0,2]=4 2071 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,1,1,0,0,0|2,0,0]=4 2072 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,1,1,0,0,0|2,0,0]=4 2073 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,1,1,0,0,0|2,0,0]=4 2074 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,1,1,0,0,0|2,0,0]=4 2075 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,1,1,0,0,0|2,0,0]=4 2076 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,1,1,0,0,0|2,0,0]=4 2077 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,1,1,0,0,0|2,0,0]=4 2078 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,1,0,0,0|2,0,0]=4 2079 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,1,0,0,0|2,0,0]=4 2080 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,1,0,0,0|2,0,0]=4 2081 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,1,0,0,0|2,0,0]=4 2082 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,1,0,0,0|2,0,0]=4 2083 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,1,0,0,0|1,0,1]=4 2084 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,1,0,0,0|1,0,1]=4 2085 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,1,0,0,0|1,0,1]=4 2086 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,1,1,0,0,0|1,0,1]=4 2087 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,1,1,0,0,0|1,0,1]=4 2088 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,1,0,0,0|1,0,0]=3 2089 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,1,0,0,0|1,0,0]=3 2090 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,1,0,0,0|1,0,0]=3 2091 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,1,0,0,0|2,0,0]=4 2092 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,1,0,0,0|2,0,0]=4 2093 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,1,0,0,0|2,0,0]=4 2094 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,1,0,0,0|2,0,0]=4 2095 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,1,1,0,0,0|1,0,1]=4 2096 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,1,1,0,0,0|1,0,1]=4 2097 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,1,1,0,0,0|1,0,1]=4 2098 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,1,0,0,0|2,0,0]=4 2099 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,1,0,0,0|2,0,0]=4 2100 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,1,0,0,0|2,0,0]=4 2101 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,1,0,0,0|2,0,0]=4 2102 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,1,0,0,0|2,0,0]=4 2103 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,1,0,0,0|2,0,0]=4 2104 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,1,0,0,0|2,0,0]=4 2105 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,1,0,0,0|2,0,0]=4 2106 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,1,0,0,0|2,0,0]=4 2107 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,1,0,0,0|2,0,0]=4 2108 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,1,0,0,0|2,0,0]=4 2109 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,1,0,0,0|2,0,0]=4 2110 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,1,0,0,0|2,0,0]=4 2111 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,1,0,0,0|1,0,0]=3 2112 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,1,0,0,0|2,0,0]=4 2113 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,1,1,0,0,0|0,0,2]=4 2114 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,1,1,0,0,0|0,0,2]=4 2115 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,1,1,0,0,0|1,0,1]=4 2116 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,1,1,0,0,0|1,0,1]=4 2117 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,1,0,0,0|0,0,0]=2 2118 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,1,0,0,0|0,0,0]=2 2119 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,1,0,0,0|0,0,0]=2 2120 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,1,0,0,0|0,0,0]=2 2121 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,1,0,0,0|0,0,0]=2 2122 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,1,0,0,0|0,0,0]=2 2123 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,1,0,0,0|0,0,0]=2 2124 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,1,0,0,0|0,0,0]=2 2125 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,1,1,0,0,0|1,0,1]=4 2126 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,1,1,0,0,0|1,0,1]=4 2127 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,1,1,0,0,0|1,0,1]=4 2128 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,1,1,0,0,0|1,0,1]=4 2129 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,1,0,0,0|0,0,2]=4 2130 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,1,1,0,0,0|1,0,1]=4 2131 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,1,1,0,0,0|2,0,0]=4 2132 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,1,1,0,0,0|2,0,0]=4 2133 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,1,1,0,0,0|1,0,1]=4 2134 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,1,1,0,0,0|1,0,0]=3 2135 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,1,0,0,0|0,1,0]=3 2136 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,1,0,0,0|0,1,0]=3 2137 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,1,0,0,0|0,1,0]=3 2138 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,1,0,0,0|0,1,0]=3 2139 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,1,0,0,0|0,1,0]=3 2140 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,1,0,0,0|0,1,0]=3 2141 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,1,0,0,0|0,1,0]=3 2142 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,1,1,0,0,0|1,1,0]=4 2143 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,1,1,0,0,0|1,1,0]=4 2144 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,1,0,0,0|2,0,0]=4 2145 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,1,0,0,0|2,0,0]=4 2146 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,1,0,0,0|2,0,0]=4 2147 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,1,0,0,0|2,0,0]=4 2148 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,1,0,0,0|2,0,0]=4 2149 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,1,0,0,0|2,0,0]=4 2150 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,1,0,0,0|2,0,0]=4 2151 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,1,1,0,0,0|2,0,0]=4 2152 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,1,1,0,0,0|2,0,0]=4 2153 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,1,1,0,0,0|2,0,0]=4 2154 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,1,1,0,0,0|2,0,0]=4 2155 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,1,1,0,0,0|2,0,0]=4 2156 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,1,0,0,0|2,0,0]=4 2157 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,1,0,0,0|2,0,0]=4 2158 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,1,0,0,0|2,0,0]=4 2159 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,1,0,0,0|2,0,0]=4 2160 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,1,0,0,0|2,0,0]=4 2161 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,1,0,0,0|2,0,0]=4 2162 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,1,0,0,0|2,0,0]=4 2163 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,1,1,0,0,0|2,0,0]=4 2164 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,1,1,0,0,0|2,0,0]=4 2165 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,1,1,0,0,0|2,0,0]=4 2166 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,1,1,0,0,0|2,0,0]=4 2167 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,1,1,0,0,0|2,0,0]=4 2168 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,1,0,0,0|2,0,0]=4 2169 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,1,0,0,0|2,0,0]=4 2170 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,1,0,0,0|2,0,0]=4 2171 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,1,0,0,0|2,0,0]=4 2172 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,1,0,0,0|2,0,0]=4 2173 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,1,0,0,0|2,0,0]=4 2174 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,1,1,0,0,0|2,0,0]=4 2175 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,1,1,0,0,0|2,0,0]=4 2176 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,1,1,0,0,0|2,0,0]=4 2177 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,1,1,0,0,0|2,0,0]=4 2178 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,1,1,0,0,0|2,0,0]=4 2179 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,1,0,0,0|2,0,0]=4 2180 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,1,0,0,0|2,0,0]=4 2181 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,1,0,0,0|2,0,0]=4 2182 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,1,0,0,0|2,0,0]=4 2183 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,1,0,0,0|1,0,0]=3 2184 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,1,0,0,0|1,0,0]=3 2185 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,1,0,0,0|1,1,0]=4 2186 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,1,0,0,0|1,1,0]=4 2187 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,1,0,0,0|2,0,0]=4 2188 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,1,0,0,0|2,0,0]=4 2189 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,1,0,0,0|2,0,0]=4 2190 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,1,0,0,0|2,0,0]=4 2191 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,1,0,0,0,0|1,0,1]=4 2192 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,1,0,0,0,0|1,0,1]=4 2193 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,1,0,0,0,0|1,0,1]=4 2194 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,1,0,0,0,0|1,0,1]=4 2195 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,1,0,0,0,0|1,0,1]=4 2196 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,1,0,0,0,0|1,0,1]=4 2197 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,1,0,0,0,0|1,0,1]=4 2198 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,1,0,0,0,0|1,0,1]=4 2199 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,1,0,0,0,0|1,0,1]=4 2200 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,1,0,0,0,0|1,0,1]=4 2201 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,1,0,0,0,0|1,0,1]=4 2202 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,1,0,0,0,0|1,0,1]=4 2203 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,1,0,0,0,0|1,0,1]=4 2204 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,1,0,0,0,0|1,0,1]=4 2205 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,1,0,0,0,0|1,0,1]=4 2206 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,1,0,0,0,0|1,0,1]=4 2207 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,1,0,0,0,0|0,0,1]=3 2208 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,1,0,0,0,0|0,0,2]=4 2209 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,1,0,0,0,0|0,0,2]=4 2210 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,1,0,0,0,0|1,0,1]=4 2211 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,1,0,0,0,0|1,0,1]=4 2212 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [1,1,0,0,0,0|0,1,1]=4 2213 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,1,0,0,0,0|1,0,1]=4 2214 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,1,0,0,0,0|1,0,1]=4 2215 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,1,0,0,0,0|1,0,1]=4 2216 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,1,0,0,0,0|1,0,1]=4 2217 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,1,0,0,0,0|1,0,1]=4 2218 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,1,0,0,0,0|1,0,1]=4 2219 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,1,0,0,0,0|1,0,1]=4 2220 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,1,0,0,0,0|0,0,1]=3 2221 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,1,0,0,0,0|0,0,2]=4 2222 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2223 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,1,0,0,0,0|1,0,1]=4 2224 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [1,1,0,0,0,0|0,1,1]=4 2225 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2226 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2227 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,1,0,0,1,0|2,0,0]=4 2228 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,1,0,0,1,0|2,0,0]=4 2229 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,0,1,0|2,0,0]=4 2230 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,0,1,0|2,0,0]=4 2231 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,0,1,0|0,0,0]=2 2232 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,0,1,0|0,0,0]=2 2233 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,0,1,0|0,0,0]=2 2234 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,0,1,0|0,0,0]=2 2235 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,0,1,0|0,0,0]=2 2236 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,0,1,0|0,0,0]=2 2237 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,0,1,0|0,0,0]=2 2238 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,0,1,0|2,0,0]=4 2239 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,0,1,0|2,0,0]=4 2240 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,0,1,0|2,0,0]=4 2241 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,0,1,0|2,0,0]=4 2242 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,1,0,0,0,1|2,0,0]=4 2243 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,0,0,1|0,0,2]=4 2244 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,0,0,1|0,0,2]=4 2245 B9R1.2 CC1CN(CCO1)CF 269982a_100000729577_100015361967 [0,1,0,0,0,1|2,0,0]=4 2246 B9R1.2 CC1CN(CCO1)CF 34a_100000729577_100015361967 [0,1,0,0,0,1|2,0,0]=4 2247 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,1,0,0,0,1|2,0,0]=4 2248 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,1,0,0,0,1|2,0,0]=4 2249 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,1,0,0,0,1|2,0,0]=4 2250 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,1,0,0,0,1|2,0,0]=4 2251 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,1,0,0,0,1|2,0,0]=4 2252 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,1,0,0,0,1|2,0,0]=4 2253 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,1,0,0,0,1|2,0,0]=4 2254 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,1,0,0,0,1|2,0,0]=4 2255 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,1,0,0,0,1|2,0,0]=4 2256 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [0,1,0,0,0,1|2,0,0]=4 2257 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [0,1,0,0,0,1|2,0,0]=4 2258 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [0,1,0,0,0,1|2,0,0]=4 2259 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,0,0,1|2,0,0]=4 2260 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,0,0,1|2,0,0]=4 2261 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,1,0,0,0,1|1,0,1]=4 2262 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,1,0,0,0,1|2,0,0]=4 2263 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,0,0,1|1,0,0]=3 2264 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,0,0,1|0,0,2]=4 2265 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,0,0,1|0,0,2]=4 2266 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,0,0,1|2,0,0]=4 2267 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [0,1,0,0,0,1|2,0,0]=4 2268 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [0,1,0,0,0,1|2,0,0]=4 2269 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [0,1,0,0,0,1|2,0,0]=4 2270 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,0,0,1|2,0,0]=4 2271 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,0,0,1|2,0,0]=4 2272 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,0,0,1|1,0,0]=3 2273 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,0,0,1|2,0,0]=4 2274 B9R1.34 CC1CN(CC(O1)C)C 2230a_100000210032_200000210301 [0,1,0,0,0,1|2,0,0]=4 2275 B9R1.34 CC1CN(CC(O1)C)C 269982a_100000210032_200000210301 [0,1,0,0,0,1|2,0,0]=4 2276 B9R1.34 CC1CN(CC(O1)C)C 34a_100000210032_200000210301 [0,1,0,0,0,1|2,0,0]=4 2277 B9R1.34 CC1CN(CC(O1)C)[13CH3] 2230a_100000210032_200025704644 [0,1,0,0,0,1|2,0,0]=4 2278 B9R1.34 CC1CN(CC(O1)C)[13CH3] 269982a_100000210032_200025704644 [0,1,0,0,0,1|2,0,0]=4 2279 B9R1.34 CC1CN(CC(O1)C)[13CH3] 34a_100000210032_200025704644 [0,1,0,0,0,1|2,0,0]=4 2280 B9R1.66 CC1(CN(CCO1)[13CH3])C 2230a_100000738910_200025704644 [0,1,0,0,0,1|2,0,0]=4 2281 B9R1.66 CC1(CN(CCO1)[13CH3])C 269982a_100000738910_200025704644 [0,1,0,0,0,1|2,0,0]=4 2282 B9R1.66 CC1(CN(CCO1)[13CH3])C 34a_100000738910_200025704644 [0,1,0,0,0,1|2,0,0]=4 2283 B9R1.66 CN1CCOC(C1)(C)C 2230a_100000738910_200000210301 [0,1,0,0,0,1|2,0,0]=4 2284 B9R1.66 CN1CCOC(C1)(C)C 269982a_100000738910_200000210301 [0,1,0,0,0,1|2,0,0]=4 2285 B9R1.66 CN1CCOC(C1)(C)C 34a_100000738910_200000210301 [0,1,0,0,0,1|2,0,0]=4 2286 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,1,0,0,0,1|2,0,0]=4 2287 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,1,0,0,0,1|2,0,0]=4 2288 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,1,0,0,0,1|2,0,0]=4 2289 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,1,0,0,0,1|2,0,0]=4 2290 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,1,0,0,0,1|2,0,0]=4 2291 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,1,0,0,0,1|2,0,0]=4 2292 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [0,1,0,0,0,1|2,0,0]=4 2293 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [0,1,0,0,0,1|2,0,0]=4 2294 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [0,1,0,0,0,1|2,0,0]=4 2295 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [0,1,0,0,0,1|2,0,0]=4 2296 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [0,1,0,0,0,1|2,0,0]=4 2297 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [0,1,0,0,0,1|2,0,0]=4 2298 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [0,1,0,0,0,1|2,0,0]=4 2299 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [0,1,0,0,0,1|2,0,0]=4 2300 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [0,1,0,0,0,1|2,0,0]=4 2301 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,1,0,0,0,1|2,0,0]=4 2302 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,1,0,0,0,1|2,0,0]=4 2303 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,1,0,0,0,1|2,0,0]=4 2304 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,0,0,1|1,0,0]=3 2305 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,0,0,1|1,0,0]=3 2306 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,1,0,0,0,1|1,0,0]=3 2307 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,1,0,0,0,1|1,0,0]=3 2308 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,1,0,0,0,1|1,0,0]=3 2309 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,1,0,0,0,1|1,0,0]=3 2310 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,1,0,0,0,1|1,0,0]=3 2311 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,1,0,0,0,1|1,0,1]=4 2312 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,0,0,1|0,0,0]=2 2313 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,0,0,1|0,0,0]=2 2314 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,1,0,0,0,1|0,0,2]=4 2315 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,0,0,1|1,0,0]=3 2316 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,0,0,1|1,0,0]=3 2317 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,1,0,0,0,1|1,0,0]=3 2318 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,1,0,0,0,1|1,0,0]=3 2319 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,0,0,1|0,0,0]=2 2320 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,1,0,0,0,1|1,0,1]=4 2321 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,0,0,1|1,0,0]=3 2322 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,0,0,1|1,0,0]=3 2323 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,1,0,0,0,1|1,0,0]=3 2324 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,1,0,0,0,1|1,0,0]=3 2325 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,0,0,1|0,0,0]=2 2326 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,0,0,1|0,0,0]=2 2327 B9R1.15 C[C@H]1COCCN1CF 269982a_100009815349_100015361967 [0,1,0,0,0,1|2,0,0]=4 2328 B9R1.15 C[C@H]1COCCN1CF 34a_100009815349_100015361967 [0,1,0,0,0,1|2,0,0]=4 2329 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,1,0,0,0,1|2,0,0]=4 2330 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,1,0,0,0,1|2,0,0]=4 2331 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,1,0,0,0,1|2,0,0]=4 2332 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,1,0,0,0,1|1,0,0]=3 2333 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,1,0,0,0,1|1,0,0]=3 2334 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,1,0,0,0,1|0,0,2]=4 2335 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,0,0,1|1,0,0]=3 2336 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,1,0,0,0,1|1,0,0]=3 2337 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,1,0,0,0,1|1,0,1]=4 2338 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,0,0,1|1,0,0]=3 2339 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,0,0,1|1,0,0]=3 2340 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,1,0,0,0,1|1,0,0]=3 2341 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,1,0,0,0,1|1,0,0]=3 2342 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,0,0,1|0,0,0]=2 2343 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,0,0,1|0,0,0]=2 2344 B9R1.40 CC1(COCCN1[13CH3])C 2230a_100000724681_200025704644 [0,1,0,0,0,1|2,0,0]=4 2345 B9R1.40 CC1(COCCN1[13CH3])C 269982a_100000724681_200025704644 [0,1,0,0,0,1|2,0,0]=4 2346 B9R1.40 CC1(COCCN1[13CH3])C 34a_100000724681_200025704644 [0,1,0,0,0,1|2,0,0]=4 2347 B9R1.40 CN1CCOCC1(C)C 2230a_100000724681_200000210301 [0,1,0,0,0,1|2,0,0]=4 2348 B9R1.40 CN1CCOCC1(C)C 269982a_100000724681_200000210301 [0,1,0,0,0,1|2,0,0]=4 2349 B9R1.40 CN1CCOCC1(C)C 34a_100000724681_200000210301 [0,1,0,0,0,1|2,0,0]=4 2350 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,2,0,0,0,0|2,0,0]=4 2351 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,2,0,0,0,0|2,0,0]=4 2352 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,2,0,0,0,0|2,0,0]=4 2353 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,2,0,0,0,0|2,0,0]=4 2354 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,2,0,0,0,0|2,0,0]=4 2355 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,2,0,0,0,0|2,0,0]=4 2356 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,2,0,0,0,0|2,0,0]=4 2357 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,2,0,0,0,0|2,0,0]=4 2358 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,2,0,0,0,0|1,0,0]=3 2359 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,2,0,0,0,0|1,0,0]=3 2360 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,2,0,0,0,0|2,0,0]=4 2361 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,2,0,0,0,0|2,0,0]=4 2362 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,2,0,0,0,0|1,0,0]=3 2363 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,2,0,0,0,0|1,0,0]=3 2364 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,2,0,0,0,0|2,0,0]=4 2365 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,2,0,0,0,0|1,0,0]=3 2366 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,2,0,0,0,0|1,0,0]=3 2367 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,2,0,0,0,0|2,0,0]=4 2368 B9R1.33 CC1SCCN1CC=O 2230a_200011216479_200015260668 [0,2,0,0,0,0|1,1,0]=4 2369 B9R1.33 CC1SCCN1CC=O 269982a_200011216479_200015260668 [0,2,0,0,0,0|1,1,0]=4 2370 B9R1.33 CC1SCCN1CC=O 34a_200011216479_200009817547 [0,2,0,0,0,0|1,1,0]=4 2371 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,2,0,0,0,0|1,0,0]=3 2372 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,2,0,0,0,0|2,0,0]=4 2373 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,2,0,0,0,0|2,0,0]=4 2374 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,2,0,0,0,0|2,0,0]=4 2375 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [0,2,0,0,0,0|1,0,1]=4 2376 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,2,0,0,0,0|1,0,0]=3 2377 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,2,0,0,0,0|1,0,0]=3 2378 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,2,0,0,0,0|2,0,0]=4 2379 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,2,0,0,0,0|2,0,0]=4 2380 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,2,0,0,0,0|1,0,0]=3 2381 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,2,0,0,0,0|1,0,0]=3 2382 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,2,0,0,0,0|2,0,0]=4 2383 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,2,0,0,0,0|2,0,0]=4 2384 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,2,0,0,0,0|1,0,1]=4 2385 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,2,0,0,0,0|2,0,0]=4 2386 B9R1.33 CSCN1CCCC1=O 62a_100000026320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2387 B9R1.33 CSCN1CCCC1=O 62a_200000210301_100000026320 [0,2,0,0,0,0|2,0,0]=4 2388 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [0,2,0,0,0,0|2,0,0]=4 2389 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [0,2,0,0,0,0|2,0,0]=4 2390 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [0,2,0,0,0,0|2,0,0]=4 2391 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [0,2,0,0,0,0|2,0,0]=4 2392 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [0,2,0,0,0,0|2,0,0]=4 2393 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [0,2,0,0,0,0|1,0,0]=3 2394 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [0,2,0,0,0,0|1,0,0]=3 2395 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [0,2,0,0,0,0|1,0,0]=3 2396 B9R1.33 O=C1NCCC1NCF 34a_100016995588_100015361967 [0,2,0,0,0,0|2,0,0]=4 2397 B9R1.33 O=C1NCC[C@@H]1OCF 34a_100000688343_100015361967 [0,2,0,0,0,0|2,0,0]=4 2398 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,2,0,0,0,0|2,0,0]=4 2399 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,2,0,0,0,0|2,0,0]=4 2400 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,2,0,0,0,0|1,0,1]=4 2401 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,2,0,0,0,0|2,0,0]=4 2402 B9R1.33 [13CH3]SCN1CCCC1=O 62a_100000026320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2403 B9R1.33 [13CH3]SCN1CCCC1=O 62a_200025704644_100000026320 [0,2,0,0,0,0|2,0,0]=4 2404 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,2,0,0,0,0|1,0,0]=3 2405 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,2,0,0,0,0|1,0,1]=4 2406 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,2,0,0,0,0|2,0,0]=4 2407 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,2,0,0,0,0|2,0,0]=4 2408 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,2,0,0,0,0|2,0,0]=4 2409 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,2,0,0,0,0|2,0,0]=4 2410 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,2,0,0,0,0|2,0,0]=4 2411 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,2,0,0,0,0|2,0,0]=4 2412 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,2,0,0,0,0|1,1,0]=4 2413 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,2,0,0,0,0|1,1,0]=4 2414 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,2,0,0,0,0|1,1,0]=4 2415 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,2,0,0,0,0|1,1,0]=4 2416 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,2,0,0,0,0|1,0,1]=4 2417 B9R1.41 CC1OCCC1N(C)C 270004a_100102631434_100000691750 [0,2,0,0,0,0|1,0,1]=4 2418 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,2,0,0,0,0|1,0,0]=3 2419 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,2,0,0,0,0|1,0,0]=3 2420 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,2,0,0,0,0|2,0,0]=4 2421 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,2,0,0,0,0|2,0,0]=4 2422 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_100000755940_200025704644 [0,2,0,0,0,0|2,0,0]=4 2423 B9R1.132 CN1CCC(C1=O)S[13CH3] 62a_200025704644_100000755940 [0,2,0,0,0,0|2,0,0]=4 2424 B9R1.132 CNC1CCN(C1=O)C 2230a_106832991635_100000755940 [0,2,0,0,0,0|2,0,0]=4 2425 B9R1.132 CNC1CCN(C1=O)C 34a_100102657272_100000755940 [0,2,0,0,0,0|2,0,0]=4 2426 B9R1.132 CNC1CCN(C1=O)C 7a_106832991635_100000755940 [0,2,0,0,0,0|2,0,0]=4 2427 B9R1.132 COC1CCN(C1=O)C 34a_100138415774_100000755940 [0,2,0,0,0,0|2,0,0]=4 2428 B9R1.132 CSC1CCN(C1=O)C 62a_100000755940_200000210301 [0,2,0,0,0,0|2,0,0]=4 2429 B9R1.132 CSC1CCN(C1=O)C 62a_200000210301_100000755940 [0,2,0,0,0,0|2,0,0]=4 2430 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,2,0,0,0,0|2,0,0]=4 2431 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,2,0,0,0,0|2,0,0]=4 2432 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,2,0,0,0,0|2,0,0]=4 2433 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,2,0,0,0,0|2,0,0]=4 2434 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,0,1,1,0,0|2,0,0]=4 2435 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,0,1,1,0,0|2,0,0]=4 2436 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,0,1,1,0,0|2,0,0]=4 2437 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,0,1,1,0,0|2,0,0]=4 2438 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,0,1,1,0,0|2,0,0]=4 2439 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,0,1,1,0,0|2,0,0]=4 2440 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,1,1,0,0|1,0,1]=4 2441 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,1,1,0,0|1,0,1]=4 2442 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,0,1,1,0,0|0,0,2]=4 2443 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,0,1,1,0,0|0,1,1]=4 2444 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,0,1,1,0,0|2,0,0]=4 2445 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [0,0,1,1,0,0|2,0,0]=4 2446 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,1,1,0,0|1,0,1]=4 2447 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,1,1,0,0|1,0,0]=3 2448 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,1,1,0,0|0,0,0]=2 2449 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,1,1,0,0|2,0,0]=4 2450 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 2451 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 2452 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 2453 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,1,1,0,0|1,0,0]=3 2454 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,1,1,0,0|1,0,0]=3 2455 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,1,1,0,0|1,0,0]=3 2456 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,1,1,0,0|1,0,0]=3 2457 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,1,1,0,0|2,0,0]=4 2458 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,1,1,0,0|1,0,0]=3 2459 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,1,1,0,0|1,0,0]=3 2460 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,1,1,0,0|2,0,0]=4 2461 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,1,1,0,0|1,0,0]=3 2462 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,1,1,0,0|2,0,0]=4 2463 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,1,1,0,0|1,0,0]=3 2464 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,1,1,0,0|1,0,0]=3 2465 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,1,1,0,0|0,0,0]=2 2466 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,1,1,0,0|2,0,0]=4 2467 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,1,1,0,0|2,0,0]=4 2468 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,1,1,0,0|2,0,0]=4 2469 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,1,1,0,0|2,0,0]=4 2470 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,1,1,0,0|2,0,0]=4 2471 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,1,1,0,0|1,0,0]=3 2472 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,1,1,0,0|0,0,0]=2 2473 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,1,1,0,0|2,0,0]=4 2474 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,1,1,0,0|1,0,0]=3 2475 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,1,1,0,0|2,0,0]=4 2476 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,1,1,0,0|2,0,0]=4 2477 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,1,1,0,0|1,0,0]=3 2478 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,1,1,0,0|2,0,0]=4 2479 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,1,1,0,0|2,0,0]=4 2480 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,0,1,1,0,0|1,0,1]=4 2481 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,0,1,1,0,0|1,0,1]=4 2482 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,0,1,1,0,0|0,0,2]=4 2483 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,0,1,1,0,0|0,0,2]=4 2484 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,1,1,0,0|2,0,0]=4 2485 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,0,1,1,0,0|2,0,0]=4 2486 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200000210301 [0,0,0,1,0,1|2,0,0]=4 2487 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200000210301 [0,0,0,1,0,1|2,0,0]=4 2488 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_200000210301 [0,0,0,1,0,1|2,0,0]=4 2489 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200025704644 [0,0,0,1,0,1|2,0,0]=4 2490 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200025704644 [0,0,0,1,0,1|2,0,0]=4 2491 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 34a_100016995552_200025704644 [0,0,0,1,0,1|2,0,0]=4 2492 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,0,1,0|1,0,1]=4 2493 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,0,1,0|1,0,1]=4 2494 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,0,0,2|2,0,0]=4 2495 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,0,0,2|2,0,0]=4