0 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 C#CC(=O)CF 1458a_100000211873_100015361967 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [0,0,0,0,0,0|3,0,0]=3 29 B4R0.1 C#CC(=O)C 1458a_100000211873_200000210301 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 C#CC(=O)[13CH3] 1458a_100000211873_200025704644 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.1 C#CC(=O)CC#N 1458a_100000211873_100011214920 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 C#CC(=O)CC=C 1458a_100000211873_100000210623 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 C#CCC(=O)C#C 1458a_100000211873_100000184674 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 C=C(C#N)CNC 2230a_106832991635_100000694840 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 C=C(C#N)CNC 34a_100102657272_100000694840 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,1,0,0,0,0|3,0,0]=4 73 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,1,0,0,0,0|3,0,0]=4 81 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,1,0,0,0,0|2,1,0]=4 104 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,1,0,0,0,0|2,1,0]=4 105 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,1,0,0,0,0|2,1,0]=4 106 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,1,0,0,0,0|2,1,0]=4 107 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,1,0,0,0,0|2,1,0]=4 108 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|3,0,0]=4 137 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|3,0,0]=4 140 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|3,0,0]=4 141 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|3,0,0]=4 144 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,1,0,0,0,0|2,1,0]=4 170 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,1,0,0,0,0|3,0,0]=4 175 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,1,0,0,0,0|3,0,0]=4 176 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,1,0,0,0,0|3,0,0]=4 207 B6R0.3 CNC(=O)C(F)F 11a_106832991635_100000210393 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.3 CNC(=O)C(F)F 1626a_100102657272_100000210393 [0,1,0,0,0,0|3,0,0]=4 209 B6R0.3 CNC(=O)C(F)F 240690a_100102657272_100000210393 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.3 CNC(=O)C(F)F 527a_100102657272_100000210393 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,1,0,0,0,0|3,0,0]=4 215 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,1,0,0,0,0|3,0,0]=4 216 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,1,0,0,0,0|2,0,1]=4 220 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|1,0,1]=4 221 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|1,0,1]=4 222 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|1,0,1]=4 223 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|2,0,0]=4 224 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|1,0,0]=3 225 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|1,0,0]=3 226 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,1,0,0,0,0|2,0,0]=4 236 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,1,0,0,0,0|2,0,0]=4 242 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,1,0,0,0,0|0,0,0]=2 267 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,1,0,0,0,0|0,0,1]=3 268 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|1,0,0]=3 280 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,1,0,0,0,0|1,0,0]=3 281 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,1,0,0,0,0|1,1,0]=4 284 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,1,0,0,0,0|1,1,0]=4 285 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,1,0,0,0,0|1,1,0]=4 286 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,1,0,0,0,0|1,1,0]=4 287 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,1,0,0,0,0|1,0,1]=4 288 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,1,0,0,0,0|2,0,0]=4 292 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,1,0,0,0,0|2,0,0]=4 294 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,1,0,0,0,0|0,0,0]=2 296 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,1,0,0,0,0|1,1,0]=4 297 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,1,0,0,0,0|1,1,0]=4 298 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,1,0,0,0,0|1,0,1]=4 299 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,1,0,0,0,0|1,0,1]=4 300 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|2,0,0]=4 303 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|2,0,0]=4 305 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|2,0,0]=4 306 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|2,0,0]=4 310 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|2,0,0]=4 312 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|2,0,0]=4 314 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|2,0,0]=4 315 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|1,0,1]=4 333 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|2,0,0]=4 377 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|2,0,0]=4 378 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,2,0,0,0,0|2,0,0]=4 382 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|2,0,0]=4 388 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,2,0,0,0,0|1,0,0]=3 408 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 423 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,2,0,0,0,0|2,0,0]=4 432 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,2,0,0,0,0|1,0,1]=4 438 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,2,0,0,0,0|1,0,1]=4 446 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 447 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 448 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,2,0,0,0,0|1,0,1]=4 449 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|2,0,0]=4 452 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|2,0,0]=4 459 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|1,0,0]=3 460 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,2,0,0,0,0|2,0,0]=4 471 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,1,0,1,0,0|2,0,0]=4